G4V9B3_SCHMA Loading...

A-kinase anchor protein 17A

AlphaFold DB , UniProt , Accession G4V9B3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 655 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
1M44.1Very low39.7Very low238 Ų238133.4 Ų133.4100%1.17275%0.749SS**  0131.80-70.2168.2176.300107.6V3M1-V3 PolarHBondContact O-N 3.31Å
2S37.8Very low41.1Very low126 Ų126129.8 Ų129.888%0.88174%0.735SS**  trans-77.5111-177.619.60000110.5S4S2-S4 PolarHBondContact O-N 3.2Å
3V38.3Very low43.1Very low134 Ų134124.2 Ų124.281%0.81270%0.698SS**  trans-79.9112.7177.3-178.10000109.1M1 V5M1-V3 PolarHBondContact O-N 3.31Å; V3-V5 PolarHBondContact O-N 2.81Å
4S37.5Very low45Very low111 Ų111116.6 Ų116.678%0.77666%0.655SS**  trans-76.1115.3173.235.70000110.6S2S2-S4 PolarHBondContact O-N 3.2Å
5V35Very low46.8Very low131 Ų131113.5 Ų113.579%0.79464%0.644SS**PPolyproline II helixtrans-69.2130.8172.2-179.10000108.9V3V3-V5 PolarHBondContact O-N 2.81Å
6P32Very low49Very low111 Ų111108.6 Ų108.672%0.72162%0.615SS**PPolyproline II helixtrans-67.8135.6177.427.8-34.2000110.7K8P6-K8 PolarHBondContact O-N 3.07Å
7K33.5Very low51.2Low204 Ų204104.5 Ų104.589%0.88759%0.591SS**PPolyproline II helixtrans-59.9132.3165.1-72.6-174.3174.4-174.10108.5S9K7-S9 PolarHBondContact O-N 2.59Å
8K38.8Very low53.4Low149 Ų149102.9 Ų102.965%0.64858%0.58SS**PPolyproline II helixtrans-54.9130164-78.3174.7176.8168.30108.1P6 D369P6-K8 PolarHBondContact O-N 3.07Å; K8-D369 IonicContact NZ-OD1 3.07Å; K8-D369 PolarHBondContact NZ-OD1 2.9Å; K8-D369 VanDerWaalsContact NZ-OD1 3.09Å; K8-D369 IonicContact NZ-OD2 2.73Å; K8-D369 PolarHBondContact NZ-OD2 3.41Å
9S41.5Very low55.3Low110 Ų110103.2 Ų103.277%0.76958%0.58SS**PPolyproline II helixtrans-71.4132171.951.40000109.8K7K7-S9 PolarHBondContact O-N 2.59Å
10E45.6Very low57.2Low118 Ų11898.5 Ų98.555%0.55155%0.553SS**PPolyproline II helixtrans-56.5149.2167.8-66176.5168.300110.7
11P52.9Low58.8Low35 Ų3594 Ų9423%0.22753%0.528CS..PPolyproline II helixtrans-63.6136.9176.827.7-34.9000109.9K13 I14P11-K13 PolarHBondContact O-N 3.02Å; P11-I14 HydrophobicContact CG-CB 4.47Å; P11-I14 HydrophobicContact CG-CD1 3.81Å; P11-I14 HydrophobicContact CG-CG1 4.18Å; P11-I14 PolarHBondContact O-N 2.94Å
12P56.4Low60.9Low90 Ų9086 Ų8658%0.58449%0.494SS*.THydrogen-bonded Turntrans-61.6-16.1-16823.9-35.2000114.1I14 S15 N94P12-I14 PolarHBondContact O-N 3.05Å; P12-S15 PolarHBondContact O-OG 3.46Å; P12-S15 VanDerWaalsContact O-OG 3.09Å; P12-N94 PolarHBondContact O-ND2 2.71Å; P12-N94 PolarHBondContact O-OD1 2.72Å
13K66.2Low63.2Low58 Ų5884.7 Ų84.725%0.25248%0.481SS..THydrogen-bonded Turntrans-71.3-15177.2-54.9-171.5-175.4-1390113.7P11 K29 E93 L283P11-K13 PolarHBondContact O-N 3.02Å; K13-K29 PolarHBondContact O-NZ 2.82Å; K13-E93 VanDerWaalsContact CE-OE1 3.23Å; K13-E93 WeakPolarHBondContact CE-OE1 3.49Å; K13-E93 WeakPolarHBondContact CE-OE2 3.47Å; K13-E93 WeakPolarHBondContact CG-OE2 3.3Å; K13-E93 IonicContact NZ-OE1 2.75Å; K13-E93 PolarHBondContact NZ-OE1 2.9Å; K13-E93 IonicContact NZ-OE2 3.08Å; K13-L283 WeakPolarHBondContact CD-O 3.44Å
14I70.3Confident65.6Low17 Ų1778.6 Ų78.69%0.08744%0.443CS..THydrogen-bonded Turntrans-107.5-20.1-173.6-65.1-176000112.6P11 P12 D16 L17 N284 Y375P11-I14 HydrophobicContact CG-CB 4.47Å; P11-I14 HydrophobicContact CG-CD1 3.81Å; P11-I14 HydrophobicContact CG-CG1 4.18Å; P11-I14 PolarHBondContact O-N 2.94Å; P12-I14 PolarHBondContact O-N 3.05Å; I14-D16 PolarHBondContact O-N 3.16Å; I14-L17 HydrophobicContact CG2-CD1 3.95Å; I14-L17 HydrophobicContact CG2-CG 4.33Å; I14-L17 WeakPolarHBondContact O-CB 3.46Å; I14-L17 WeakPolarHBondContact O-CG 3.26Å; I14-L17 PolarHBondContact O-N 3.39Å; I14-N284 WeakPolarHBondContact CD1-ND2 3.25Å; I14-Y375 HydrophobicContact CD1-CD1 4.47Å; I14-Y375 HydrophobicContact CD1-CD2 3.57Å; I14-Y375 HydrophobicContact CD1-CE1 4.25Å; I14-Y375 HydrophobicContact CD1-CE2 3.31Å; I14-Y375 HydrophobicContact CD1-CG 4.18Å; I14-Y375 HydrophobicContact CG1-CE2 4.47Å; I14-Y375 HydrophobicContact CG2-CE1 4.47Å
15S71.7Confident68.1Low70 Ų7074.3 Ų74.349%0.4941%0.412SS..THydrogen-bonded Turntrans-57-22.9-176.159.70000115.7P12 N94P12-S15 PolarHBondContact O-OG 3.46Å; P12-S15 VanDerWaalsContact O-OG 3.09Å; S15-N94 PolarHBondContact OG-ND2 2.71Å
16D82.2Confident70.8Confident36 Ų3668 Ų6819%0.19337%0.374CS..THydrogen-bonded Turntrans-100.413.5-175.4-66.733.2000112I14 P30 N94 K95I14-D16 PolarHBondContact O-N 3.16Å; D16-P30 WeakPolarHBondContact O-CD 3.22Å; D16-N94 PolarHBondContact OD1-ND2 3.44Å; D16-N94 WeakPolarHBondContact OD2-CA 3.4Å; D16-N94 VanDerWaalsContact OD2-CB 3.26Å; D16-N94 WeakPolarHBondContact OD2-CB 3.39Å; D16-K95 PolarHBondContact OD2-N 3.14Å; D16-K95 VanDerWaalsContact OD2-N 3.14Å
17L86.7Confident73.7Confident38 Ų3864.5 Ų64.520%0.19935%0.346CS..  trans-74.8143.6175-68.7-170.3000112.4I14 Y27 K29 V355 Y375I14-L17 HydrophobicContact CG2-CD1 3.95Å; I14-L17 HydrophobicContact CG2-CG 4.33Å; I14-L17 WeakPolarHBondContact O-CB 3.46Å; I14-L17 WeakPolarHBondContact O-CG 3.26Å; I14-L17 PolarHBondContact O-N 3.39Å; L17-Y27 HydrophobicContact CD1-CG 4.48Å; L17-K29 HydrophobicContact CD2-CB 3.74Å; L17-K29 HydrophobicContact CD2-CD 4.31Å; L17-K29 HydrophobicContact CD2-CG 4.22Å; L17-V355 HydrophobicContact CD2-CB 4.32Å; L17-V355 HydrophobicContact CD2-CG1 4.25Å; L17-V355 HydrophobicContact CD2-CG2 4.04Å; L17-Y375 HydrophobicContact CD1-CD1 3.7Å; L17-Y375 HydrophobicContact CD1-CE1 3.52Å
18I90.6Very high76.6Confident76 Ų7654.9 Ų54.939%0.3931%0.305SS..EExtended strand (participates in β ladder)trans-121.1131.8175.9-56.4172.1000107.8F20 Y27 L28I18-F20 PolarHBondContact O-N 3.4Å; I18-Y27 CarbonylContact O-C 3.59Å; I18-Y27 VanDerWaalsContact O-CA 3.3Å; I18-Y27 WeakPolarHBondContact O-CA 3.2Å; I18-Y27 WeakPolarHBondContact O-CB 3.24Å; I18-L28 HydrophobicContact CB-CB 4.44Å; I18-L28 PolarHBondContact N-O 3.23Å; I18-L28 PolarHBondContact O-N 3.15Å
19D90.4Very high79.1Confident109 Ų10948.5 Ų48.558%0.58328%0.277SS*.EExtended strand (participates in β ladder)trans-61.1134.1174-73.7-22000111P22 Y27D19-P22 HydrophobicContact CB-CG 4.02Å; D19-Y27 VanDerWaalsContact OD1-CD1 3.32Å; D19-Y27 WeakPolarHBondContact OD1-CD1 3.43Å; D19-Y27 WeakPolarHBondContact OD1-CE1 3.45Å
20F92.9Very high81.4Confident8 Ų844.5 Ų44.54%0.03525%0.248CC..EExtended strand (participates in β ladder)trans-121.6-60.8176.7167.7-139.7000111.5I18 L26 L28 A207 F208 F211 L354I18-F20 PolarHBondContact O-N 3.4Å; F20-L26 HydrophobicContact CD1-CB 3.98Å; F20-L26 HydrophobicContact CE1-CD1 4.42Å; F20-L26 PolarHBondContact N-O 3.44Å; F20-L28 HydrophobicContact CB-CD1 4.01Å; F20-L28 HydrophobicContact CB-CG 3.85Å; F20-L28 HydrophobicContact CD1-CD2 4.42Å; F20-L28 HydrophobicContact CD1-CG 4.37Å; F20-L28 HydrophobicContact CD2-CD1 4.46Å; F20-L28 HydrophobicContact CG-CD1 4.15Å; F20-L28 HydrophobicContact CG-CG 4.14Å; F20-A207 WeakPolarHBondContact CE2-O 3.26Å; F20-A207 HydrophobicContact CZ-CB 4.25Å; F20-A207 VanDerWaalsContact CZ-O 3.22Å; F20-A207 WeakPolarHBondContact CZ-O 3.27Å; F20-F208 HydrophobicContact CE1-CE1 4.34Å; F20-F208 HydrophobicContact CE1-CZ 4.31Å; F20-F208 HydrophobicContact CE2-CD1 4.49Å; F20-F208 AromaticContact CZ-CD1 3.89Å; F20-F208 HydrophobicContact CZ-CD1 3.89Å; F20-F208 AromaticContact CZ-CE1 3.66Å; F20-F208 HydrophobicContact CZ-CE1 3.66Å; F20-F208 HydrophobicContact CZ-CG 4.39Å; F20-F208 AromaticContact CZ-CZ 3.98Å; F20-F208 HydrophobicContact CZ-CZ 3.98Å; F20-F211 HydrophobicContact CD2-CE2 4.13Å; F20-F211 AromaticContact CD2-CZ 3.75Å; F20-F211 HydrophobicContact CD2-CZ 3.75Å; F20-F211 HydrophobicContact CE2-CD2 4.29Å; F20-F211 HydrophobicContact CE2-CE1 4.47Å; F20-F211 AromaticContact CE2-CE2 3.32Å; F20-F211 HydrophobicContact CE2-CE2 3.32Å; F20-F211 AromaticContact CE2-CZ 3.43Å; F20-F211 HydrophobicContact CE2-CZ 3.43Å; F20-F211 VanDerWaalsContact CE2-CZ 3.43Å; F20-F211 AromaticContact CZ-CE2 3.97Å; F20-F211 HydrophobicContact CZ-CE2 3.97Å; F20-F211 HydrophobicContact CZ-CZ 4.33Å; F20-L354 HydrophobicContact CD1-CD1 3.54Å; F20-L354 HydrophobicContact CE1-CD1 3.64Å
21C91.3Very high83.5Confident4 Ų439.6 Ų39.63%0.02723%0.226CC..EExtended strand (participates in β ladder)trans-139.884.9172.2-168.30000108.9T23 L24 N25 L26C21-T23 VanDerWaalsContact C-N 3.27Å; C21-T23 PolarHBondContact O-N 2.91Å; C21-T23 PolarHBondContact SG-OG1 3Å; C21-L24 HydrophobicContact CB-CB 4.37Å; C21-L24 HydrophobicContact CB-CD1 4.46Å; C21-L24 CarbonylContact O-C 3.57Å; C21-L24 PolarHBondContact O-N 2.84Å; C21-L24 VanDerWaalsContact O-N 3.17Å; C21-N25 PolarHBondContact O-N 3.29Å; C21-L26 CarbonylContact C-O 3.55Å; C21-L26 HydrophobicContact CB-CB 4.17Å; C21-L26 PolarHBondContact N-O 2.84Å; C21-L26 PolarHBondContact O-N 2.72Å
22P86.4Confident85.2Confident72 Ų7238.1 Ų38.147%0.46822%0.216SC..THydrogen-bonded Turntrans-63.3-27.1-173.4-27.237.2000114.7D19 N25D19-P22 HydrophobicContact CB-CG 4.02Å; P22-N25 PolarHBondContact O-N 3.1Å
23T87.6Confident86.9Confident98 Ų9836.2 Ų36.260%0.60120%0.198SC*.THydrogen-bonded Turntrans-59.5-46.3173.146.70000111.2C21 N25 E206C21-T23 VanDerWaalsContact C-N 3.27Å; C21-T23 PolarHBondContact O-N 2.91Å; C21-T23 PolarHBondContact SG-OG1 3Å; T23-N25 PolarHBondContact O-N 3.4Å; T23-N25 PolarHBondContact O-ND2 2.84Å; T23-E206 WeakPolarHBondContact CB-OE1 3.28Å; T23-E206 PolarHBondContact OG1-OE1 2.79Å
24L88.1Confident88.2Confident5 Ų533.5 Ų33.53%0.02619%0.186CC..THydrogen-bonded Turntrans-81.77.3173.7-58179.7000113.3C21 L26 H173 I203 E206 A207 Y356C21-L24 HydrophobicContact CB-CB 4.37Å; C21-L24 HydrophobicContact CB-CD1 4.46Å; C21-L24 CarbonylContact O-C 3.57Å; C21-L24 PolarHBondContact O-N 2.84Å; C21-L24 VanDerWaalsContact O-N 3.17Å; L24-L26 HydrophobicContact CB-CD1 3.96Å; L24-L26 HydrophobicContact CB-CG 3.99Å; L24-L26 HydrophobicContact CD1-CD1 4.18Å; L24-L26 PolarHBondContact O-N 2.77Å; L24-H173 PolarHBondContact O-CE1 2.82Å; L24-I203 HydrophobicContact CD1-CG2 3.64Å; L24-I203 WeakPolarHBondContact CD1-O 3.46Å; L24-I203 HydrophobicContact CD2-CG2 3.79Å; L24-I203 HydrophobicContact CG-CG2 4.33Å; L24-E206 HydrophobicContact CD1-CB 4.2Å; L24-E206 HydrophobicContact CD1-CG 4.27Å; L24-E206 HydrophobicContact CG-CG 4.42Å; L24-A207 HydrophobicContact CD1-CB 3.76Å; L24-Y356 WeakPolarHBondContact O-CE2 3.29Å
25N89.5Confident89.4Confident21 Ų2134 Ų3411%0.11219%0.19CC..THydrogen-bonded Turntrans52.433.5-174.3-60.9-106.1000113.8C21 P22 T23 Y27 Y356 A357 T359C21-N25 PolarHBondContact O-N 3.29Å; P22-N25 PolarHBondContact O-N 3.1Å; T23-N25 PolarHBondContact O-N 3.4Å; T23-N25 PolarHBondContact O-ND2 2.84Å; N25-Y27 WeakPolarHBondContact O-CD2 3.3Å; N25-Y27 VanDerWaalsContact O-CE2 3.3Å; N25-Y27 WeakPolarHBondContact O-CE2 3.33Å; N25-Y356 HydrophobicContact CB-CD2 4.32Å; N25-Y356 HydrophobicContact CB-CE2 4.1Å; N25-A357 VanDerWaalsContact CB-O 3.26Å; N25-A357 WeakPolarHBondContact CB-O 3.46Å; N25-A357 PolarHBondContact O-N 3.19Å; N25-A357 VanDerWaalsContact O-N 3.08Å; N25-A357 PolarHBondContact OD1-O 3.16Å; N25-T359 PolarHBondContact ND2-OG1 3.4Å; N25-T359 VanDerWaalsContact OD1-CG2 3.31Å; N25-T359 WeakPolarHBondContact OD1-CG2 3.44Å; N25-T359 PolarHBondContact OD1-OG1 3.3Å
26L92.4Very high90.5Very high0 Ų030.6 Ų30.60%017%0.167CC..EExtended strand (participates in β ladder)trans-100.2136178.8-65.4173.7000111.7F20 C21 L24 W167 F168 A207 L354 V355 Y356F20-L26 HydrophobicContact CD1-CB 3.98Å; F20-L26 HydrophobicContact CE1-CD1 4.42Å; F20-L26 PolarHBondContact N-O 3.44Å; C21-L26 CarbonylContact C-O 3.55Å; C21-L26 HydrophobicContact CB-CB 4.17Å; C21-L26 PolarHBondContact N-O 2.84Å; C21-L26 PolarHBondContact O-N 2.72Å; L24-L26 HydrophobicContact CB-CD1 3.96Å; L24-L26 HydrophobicContact CB-CG 3.99Å; L24-L26 HydrophobicContact CD1-CD1 4.18Å; L24-L26 PolarHBondContact O-N 2.77Å; L26-W167 HydrophobicContact CD2-CE3 4.26Å; L26-F168 HydrophobicContact CD1-CE1 4.04Å; L26-F168 HydrophobicContact CD1-CZ 4.08Å; L26-A207 HydrophobicContact CD1-CB 4.12Å; L26-L354 HydrophobicContact CB-CD1 4.41Å; L26-L354 HydrophobicContact CD2-CD1 4.22Å; L26-L354 HydrophobicContact CD2-CD2 4.45Å; L26-L354 HydrophobicContact CD2-CG 4.31Å; L26-V355 WeakPolarHBondContact CA-O 3.44Å; L26-Y356 HydrophobicContact CD2-CD2 3.9Å; L26-Y356 HydrophobicContact CD2-CG 4.38Å
27Y93.5Very high91.1Very high37 Ų3729.7 Ų29.715%0.14516%0.162CC..EExtended strand (participates in β ladder)trans-134.1166.5-178.6-53-97.7000109.2L17 I18 D19 N25 V355 A357 K373L17-Y27 HydrophobicContact CD1-CG 4.48Å; I18-Y27 CarbonylContact O-C 3.59Å; I18-Y27 VanDerWaalsContact O-CA 3.3Å; I18-Y27 WeakPolarHBondContact O-CA 3.2Å; I18-Y27 WeakPolarHBondContact O-CB 3.24Å; D19-Y27 VanDerWaalsContact OD1-CD1 3.32Å; D19-Y27 WeakPolarHBondContact OD1-CD1 3.43Å; D19-Y27 WeakPolarHBondContact OD1-CE1 3.45Å; N25-Y27 WeakPolarHBondContact O-CD2 3.3Å; N25-Y27 VanDerWaalsContact O-CE2 3.3Å; N25-Y27 WeakPolarHBondContact O-CE2 3.33Å; Y27-V355 PolarHBondContact N-O 2.8Å; Y27-V355 PolarHBondContact O-N 2.93Å; Y27-A357 HydrophobicContact CD2-CB 4.2Å; Y27-A357 HydrophobicContact CE2-CB 3.85Å; Y27-K373 PolarHBondContact OH-NZ 2.91Å
28L93.5Very high91.5Very high2 Ų227.9 Ų27.91%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-115.6141.1171.2-66.9164.4000109.5I18 F20 L349 Q352 K353 L354I18-L28 HydrophobicContact CB-CB 4.44Å; I18-L28 PolarHBondContact N-O 3.23Å; I18-L28 PolarHBondContact O-N 3.15Å; F20-L28 HydrophobicContact CB-CD1 4.01Å; F20-L28 HydrophobicContact CB-CG 3.85Å; F20-L28 HydrophobicContact CD1-CD2 4.42Å; F20-L28 HydrophobicContact CD1-CG 4.37Å; F20-L28 HydrophobicContact CD2-CD1 4.46Å; F20-L28 HydrophobicContact CG-CD1 4.15Å; F20-L28 HydrophobicContact CG-CG 4.14Å; L28-L349 HydrophobicContact CD1-CD2 4.14Å; L28-L349 HydrophobicContact CD2-CD2 3.93Å; L28-Q352 HydrophobicContact CB-CB 4.1Å; L28-Q352 HydrophobicContact CB-CG 4.14Å; L28-Q352 HydrophobicContact CD1-CG 4.31Å; L28-Q352 HydrophobicContact CD2-CB 3.75Å; L28-Q352 HydrophobicContact CD2-CG 4.26Å; L28-Q352 HydrophobicContact CG-CB 4.36Å; L28-Q352 HydrophobicContact CG-CG 4.45Å; L28-K353 WeakPolarHBondContact CA-O 3.5Å; L28-L354 HydrophobicContact CD2-CD1 4.33Å
29K90.8Very high91.5Very high15 Ų1527.4 Ų27.47%0.06515%0.149CC..EExtended strand (participates in β ladder)trans-121.3128.9169.5-173.2167.1179.9170.80110.7K13 L17 I31 E93 N94 L283 Q352 K353 V355K13-K29 PolarHBondContact O-NZ 2.82Å; L17-K29 HydrophobicContact CD2-CB 3.74Å; L17-K29 HydrophobicContact CD2-CD 4.31Å; L17-K29 HydrophobicContact CD2-CG 4.22Å; K29-I31 PolarHBondContact O-N 2.86Å; K29-E93 WeakPolarHBondContact CE-O 3.47Å; K29-E93 PolarHBondContact NZ-O 2.71Å; K29-N94 PolarHBondContact NZ-OD1 2.84Å; K29-L283 HydrophobicContact CD-CD1 4.32Å; K29-Q352 CarbonylContact O-C 3.5Å; K29-Q352 WeakPolarHBondContact O-CA 3.14Å; K29-Q352 PolarHBondContact O-OE1 3.28Å; K29-K353 PolarHBondContact N-O 3.24Å; K29-K353 PolarHBondContact O-N 3.28Å; K29-V355 HydrophobicContact CB-CG2 3.8Å
30P90.6Very high91.1Very high26 Ų2622.8 Ų22.817%0.16912%0.124CC..EExtended strand (participates in β ladder)trans-55.4135.1176.1-28.936.4000113.2D16 A32 K95D16-P30 WeakPolarHBondContact O-CD 3.22Å; P30-A32 VanDerWaalsContact C-N 3.32Å; P30-A32 PolarHBondContact O-N 3.04Å; P30-K95 HydrophobicContact CB-CB 4.38Å; P30-K95 HydrophobicContact CB-CD 4.42Å
31I89Confident90.1Very high15 Ų1524.3 Ų24.38%0.07714%0.135CC..  trans-71.289.8171.8-63.3174.8000108.3K29 R33 G351 K353 E379K29-I31 PolarHBondContact O-N 2.86Å; I31-R33 HydrophobicContact CG2-CB 3.86Å; I31-R33 PolarHBondContact O-N 3.1Å; I31-R33 VanDerWaalsContact O-N 3.14Å; I31-G351 WeakPolarHBondContact CB-O 3.2Å; I31-G351 WeakPolarHBondContact CG1-O 3.32Å; I31-G351 PolarHBondContact N-O 3.17Å; I31-K353 HydrophobicContact CD1-CG 4.27Å; I31-K353 HydrophobicContact CG1-CD 4.42Å; I31-K353 HydrophobicContact CG1-CG 3.58Å; I31-E379 HydrophobicContact CD1-CG 4.3Å
32A89.4Confident88.9Confident4 Ų430.9 Ų30.93%0.03317%0.169CC..  trans-74.694168.500000109.2P30 L92 N94 V98P30-A32 VanDerWaalsContact C-N 3.32Å; P30-A32 PolarHBondContact O-N 3.04Å; A32-L92 HydrophobicContact CB-CB 4.08Å; A32-L92 PolarHBondContact O-N 3.43Å; A32-N94 WeakPolarHBondContact CB-O 3.3Å; A32-V98 HydrophobicContact CB-CG2 3.72Å
33R91.2Very high87.6Confident50 Ų5028.6 Ų28.619%0.18915%0.153CC..EExtended strand (participates in β ladder)trans-136.4134.4-179-172.6177.8-73.9154.7-0.8112I31 V90 D91 A126 E379I31-R33 HydrophobicContact CG2-CB 3.86Å; I31-R33 PolarHBondContact O-N 3.1Å; I31-R33 VanDerWaalsContact O-N 3.14Å; R33-V90 VanDerWaalsContact CA-O 3.31Å; R33-V90 WeakPolarHBondContact CA-O 3.35Å; R33-D91 IonicContact CZ-OD1 2.94Å; R33-D91 VanDerWaalsContact CZ-OD1 3.25Å; R33-D91 IonicContact NE-OD1 3.25Å; R33-D91 PolarHBondContact NE-OD1 3.24Å; R33-D91 IonicContact NH2-OD1 2.81Å; R33-D91 PolarHBondContact NH2-OD1 2.94Å; R33-D91 IonicContact NH2-OD2 3.18Å; R33-A126 HydrophobicContact CB-CB 3.97Å; R33-A126 HydrophobicContact CG-CB 3.65Å; R33-A126 WeakPolarHBondContact O-CB 3.08Å; R33-A126 PolarHBondContact O-N 3.41Å; R33-E379 IonicContact CZ-OE1 3.64Å; R33-E379 VanDerWaalsContact CZ-OE1 3.26Å; R33-E379 IonicContact CZ-OE2 3.95Å; R33-E379 IonicContact NH1-OE1 3.26Å; R33-E379 PolarHBondContact NH1-OE1 3.18Å; R33-E379 IonicContact NH1-OE2 3.72Å; R33-E379 IonicContact NH2-OE1 3.81Å; R33-E379 PolarHBondContact NH2-OE1 2.9Å; R33-E379 IonicContact NH2-OE2 3.91Å; R33-E379 PolarHBondContact NH2-OE2 3.38Å
34V94.6Very high86.3Confident0 Ų028.8 Ų28.80%015%0.147CC..EExtended strand (participates in β ladder)trans-112.5137.9177.1176.80000109.6I36 A89 V90 L92 V98 V101 V102 A123 S124V34-I36 HydrophobicContact CG1-CD1 4.47Å; V34-I36 HydrophobicContact CG1-CG1 3.74Å; V34-A89 WeakPolarHBondContact O-CA 3.32Å; V34-V90 PolarHBondContact N-O 3.39Å; V34-V90 PolarHBondContact O-N 2.86Å; V34-L92 HydrophobicContact CG2-CD1 3.62Å; V34-L92 HydrophobicContact CG2-CG 4.47Å; V34-V98 HydrophobicContact CG2-CB 4.24Å; V34-V98 HydrophobicContact CG2-CG1 3.83Å; V34-V98 HydrophobicContact CG2-CG2 4.46Å; V34-V101 HydrophobicContact CG1-CG1 4.14Å; V34-V101 HydrophobicContact CG2-CB 4.27Å; V34-V101 HydrophobicContact CG2-CG1 4.18Å; V34-V102 HydrophobicContact CG1-CG2 4.15Å; V34-V102 HydrophobicContact CG2-CG2 4.27Å; V34-A123 HydrophobicContact CG1-CB 4.29Å; V34-S124 CarbonylContact C-O 3.57Å; V34-S124 WeakPolarHBondContact CA-O 3.08Å; V34-S124 WeakPolarHBondContact CG1-O 3.19Å
35C95Very high84.9Confident27 Ų2730.4 Ų30.418%0.18216%0.156CC..EExtended strand (participates in β ladder)trans-97.1123.1164.6-170.50000109.3F88 A123 S124 A126C35-F88 WeakPolarHBondContact CA-O 3.37Å; C35-A123 WeakPolarHBondContact O-CA 2.99Å; C35-S124 PolarHBondContact N-O 3.46Å; C35-S124 PolarHBondContact O-N 3.06Å; C35-A126 HydrophobicContact CB-CB 4.39Å
36I95.5Very high83.5Confident0 Ų035.2 Ų35.20%019%0.186CC..EExtended strand (participates in β ladder)trans-113122.6177.7-52.1173.6000108V34 I62 M76 R87 F88 V90 L105 V121 R122V34-I36 HydrophobicContact CG1-CD1 4.47Å; V34-I36 HydrophobicContact CG1-CG1 3.74Å; I36-I62 HydrophobicContact CD1-CG2 3.82Å; I36-I62 HydrophobicContact CG2-CD1 4.08Å; I36-M76 HydrophobicContact CD1-CE 4.2Å; I36-R87 CarbonylContact O-C 3.46Å; I36-R87 WeakPolarHBondContact O-CA 3.22Å; I36-F88 HydrophobicContact CB-CB 4.41Å; I36-F88 PolarHBondContact N-O 2.94Å; I36-F88 PolarHBondContact O-N 2.72Å; I36-V90 HydrophobicContact CD1-CG2 3.51Å; I36-V90 HydrophobicContact CG1-CG2 4.14Å; I36-L105 HydrophobicContact CD1-CD1 3.47Å; I36-L105 VanDerWaalsContact CD1-CD1 3.47Å; I36-L105 HydrophobicContact CG1-CD1 3.99Å; I36-L105 HydrophobicContact CG2-CD1 4.34Å; I36-V121 HydrophobicContact CG2-CG1 3.64Å; I36-R122 CarbonylContact C-O 3.55Å; I36-R122 WeakPolarHBondContact CA-O 3.2Å
37T95Very high82Confident16 Ų1638.6 Ų38.610%0.09821%0.209CC..EExtended strand (participates in β ladder)trans-108.8121.7174.8-53.40000109.5F85 V86 R87 V121 R122T37-F85 HydrophobicContact CG2-CB 3.86Å; T37-F85 HydrophobicContact CG2-CD2 4.01Å; T37-F85 HydrophobicContact CG2-CG 4.09Å; T37-V86 WeakPolarHBondContact CA-O 3.36Å; T37-R87 HydrophobicContact CG2-CG 4.08Å; T37-V121 CarbonylContact O-C 3.59Å; T37-R122 PolarHBondContact N-O 3.33Å; T37-R122 PolarHBondContact O-N 3.24Å
38V94Very high80.6Confident0 Ų039 Ų390%022%0.224CC..EExtended strand (participates in β ladder)trans-102.3119.3170.1-179.70000108.2I58 I62 F85 V86 F88 I110 L119 V121V38-I58 HydrophobicContact CB-CG2 4.35Å; V38-I58 HydrophobicContact CG1-CG2 4.44Å; V38-I58 HydrophobicContact CG2-CG2 3.78Å; V38-I62 HydrophobicContact CG2-CD1 3.88Å; V38-I62 HydrophobicContact CG2-CG1 4.42Å; V38-F85 CarbonylContact O-C 3.5Å; V38-F85 WeakPolarHBondContact O-CA 3.4Å; V38-F85 VanDerWaalsContact O-CB 3.27Å; V38-F85 WeakPolarHBondContact O-CB 3.33Å; V38-V86 PolarHBondContact N-O 3.38Å; V38-V86 PolarHBondContact O-N 3.31Å; V38-F88 HydrophobicContact CG2-CE2 4.15Å; V38-I110 HydrophobicContact CG1-CD1 4.01Å; V38-I110 HydrophobicContact CG2-CD1 4.37Å; V38-L119 HydrophobicContact CG1-CB 3.86Å; V38-L119 HydrophobicContact CG1-CD1 3.95Å; V38-V121 HydrophobicContact CG2-CG2 4.33Å
39Q90.5Very high79.2Confident66 Ų6645.6 Ų45.631%0.30826%0.255SS..EExtended strand (participates in β ladder)trans-79.6131.7176.7-59.8-166.6-96.300110.5L119 R120Q39-L119 WeakPolarHBondContact O-CB 3.45Å; Q39-R120 HydrophobicContact CB-CB 4.45Å; Q39-R120 PolarHBondContact N-O 2.97Å
40I83Confident77.9Confident13 Ų1352 Ų527%0.06729%0.289CS..  trans-120.3103.7-176.9-68.8153.2000106.7L43 F53 E84 V86 L119I40-L43 HydrophobicContact CG2-CD1 3.91Å; I40-L43 HydrophobicContact CG2-CD2 4.4Å; I40-L43 HydrophobicContact CG2-CG 3.85Å; I40-F53 HydrophobicContact CD1-CE1 4.25Å; I40-F53 HydrophobicContact CD1-CE2 4.2Å; I40-F53 HydrophobicContact CD1-CZ 3.58Å; I40-F53 HydrophobicContact CG1-CZ 4.28Å; I40-F53 HydrophobicContact CG2-CE1 4.17Å; I40-E84 PolarHBondContact N-O 3.31Å; I40-E84 CarbonylContact O-C 3.58Å; I40-E84 VanDerWaalsContact O-CA 3.3Å; I40-E84 WeakPolarHBondContact O-CA 3.48Å; I40-E84 VanDerWaalsContact O-O 3.14Å; I40-V86 HydrophobicContact CD1-CB 4.27Å; I40-V86 HydrophobicContact CD1-CG2 3.61Å; I40-L119 HydrophobicContact CG1-CD1 4.31Å
41P70.6Confident76.8Confident40 Ų4054.7 Ų54.726%0.2630%0.298SS..  trans-68.4169.116629.4-29.5000109.6L43 Q117 L119P41-L43 HydrophobicContact CG-CD2 4.05Å; P41-L43 VanDerWaalsContact O-CD2 3.26Å; P41-L43 WeakPolarHBondContact O-CD2 3.43Å; P41-L43 VanDerWaalsContact O-CG 3.24Å; P41-L43 WeakPolarHBondContact O-CG 3.31Å; P41-L43 PolarHBondContact O-N 2.88Å; P41-Q117 HydrophobicContact CG-CG 4.3Å; P41-L119 HydrophobicContact CG-CD2 4.46Å
42L66.2Low76.1Confident142 Ų14258.9 Ų58.974%0.74333%0.329SS*.  trans-60.5106.5177.1-81.873.2000110H44L42-H44 PolarHBondContact O-CD2 2.82Å; L42-H44 PolarHBondContact O-N 2.83Å
43L60.3Low75.6Confident24 Ų2461.3 Ų61.313%0.12634%0.339CS..  trans-82.985.3-168.2-61.2-174.2000112.5I40 P41 F53 F115 L119I40-L43 HydrophobicContact CG2-CD1 3.91Å; I40-L43 HydrophobicContact CG2-CD2 4.4Å; I40-L43 HydrophobicContact CG2-CG 3.85Å; P41-L43 HydrophobicContact CG-CD2 4.05Å; P41-L43 VanDerWaalsContact O-CD2 3.26Å; P41-L43 WeakPolarHBondContact O-CD2 3.43Å; P41-L43 VanDerWaalsContact O-CG 3.24Å; P41-L43 WeakPolarHBondContact O-CG 3.31Å; P41-L43 PolarHBondContact O-N 2.88Å; L43-F53 HydrophobicContact CD1-CD1 3.43Å; L43-F53 VanDerWaalsContact CD1-CD1 3.43Å; L43-F53 HydrophobicContact CD1-CE1 3.55Å; L43-F115 HydrophobicContact CB-CD1 3.84Å; L43-F115 HydrophobicContact CB-CE1 3.64Å; L43-F115 HydrophobicContact CD1-CD1 3.89Å; L43-F115 HydrophobicContact CD1-CE1 3.63Å; L43-F115 HydrophobicContact CD1-CZ 4.07Å; L43-F115 HydrophobicContact CD2-CD1 4.24Å; L43-F115 HydrophobicContact CG-CD1 4.21Å; L43-F115 HydrophobicContact CG-CE1 4.18Å; L43-L119 HydrophobicContact CD2-CD2 3.99Å
44H60.7Low75.4Confident101 Ų10162.2 Ų62.247%0.46835%0.351SS..BIsolated β-bridgetrans-81133157.4-58.8-81.1000109.1L42 G48L42-H44 PolarHBondContact O-CD2 2.82Å; L42-H44 PolarHBondContact O-N 2.83Å; H44-G48 PolarHBondContact ND1-O 2.96Å
45D57.6Low75.1Confident40 Ų4065 Ų6521%0.21437%0.368CS..  trans-65.8166.2161.9171.547.7000110S47 G48 Q49 K51D45-S47 PolarHBondContact O-N 3.03Å; D45-S47 VanDerWaalsContact OD2-CB 3.25Å; D45-S47 WeakPolarHBondContact OD2-CB 3.26Å; D45-S47 PolarHBondContact OD2-N 3.28Å; D45-S47 PolarHBondContact OD2-OG 2.83Å; D45-G48 WeakPolarHBondContact O-CA 3.29Å; D45-G48 PolarHBondContact O-N 2.94Å; D45-Q49 PolarHBondContact N-O 3.02Å; D45-K51 HydrophobicContact CB-CB 4.41Å
46T59.3Low74.8Confident121 Ų12171.6 Ų71.674%0.74239%0.389SS*.THydrogen-bonded Turntrans-47.4-27.5167.2-25.90000113.5
47S61.3Low74.5Confident71 Ų7173.7 Ų73.750%0.49740%0.399SS..THydrogen-bonded Turntrans-85.2-0.8173.864.50000115.4D45 Q49D45-S47 PolarHBondContact O-N 3.03Å; D45-S47 VanDerWaalsContact OD2-CB 3.25Å; D45-S47 WeakPolarHBondContact OD2-CB 3.26Å; D45-S47 PolarHBondContact OD2-N 3.28Å; D45-S47 PolarHBondContact OD2-OG 2.83Å; S47-Q49 PolarHBondContact O-N 3.18Å
48G65.7Low74.4Confident45 Ų4573 Ų7346%0.46439%0.394SS..SBendtrans80.2-14.4-173.300000115H44 D45H44-G48 PolarHBondContact ND1-O 2.96Å; D45-G48 WeakPolarHBondContact O-CA 3.29Å; D45-G48 PolarHBondContact O-N 2.94Å
49Q64.2Low74.3Confident141 Ų14173.9 Ų73.966%0.65940%0.399SS*.  trans-69.8147.6-179.6-60.2-168.311.800112D45 S47 K51D45-Q49 PolarHBondContact N-O 3.02Å; S47-Q49 PolarHBondContact O-N 3.18Å; Q49-K51 PolarHBondContact O-N 3.38Å; Q49-K51 VanDerWaalsContact O-N 3.16Å
50L62.8Low74.4Confident149 Ų14973 Ų7378%0.7840%0.395SS*.BIsolated β-bridgetrans-73.8103.7170.6-84.873.8000109
51K66.7Low74.8Confident83 Ų8375.9 Ų75.936%0.36141%0.407SS..  trans-89.2133.3168.2-170.7-177.4180-169.20109.4D45 Q49 S113 F115D45-K51 HydrophobicContact CB-CB 4.41Å; Q49-K51 PolarHBondContact O-N 3.38Å; Q49-K51 VanDerWaalsContact O-N 3.16Å; K51-S113 PolarHBondContact NZ-O 3.4Å; K51-S113 PolarHBondContact NZ-OG 2.89Å; K51-F115 HydrophobicContact CB-CE1 3.73Å; K51-F115 HydrophobicContact CB-CZ 3.75Å; K51-F115 HydrophobicContact CD-CE1 4.48Å; K51-F115 HydrophobicContact CD-CE2 4.06Å; K51-F115 HydrophobicContact CD-CZ 3.97Å; K51-F115 HydrophobicContact CG-CE1 4.28Å; K51-F115 HydrophobicContact CG-CE2 4.35Å; K51-F115 HydrophobicContact CG-CZ 3.8Å; K51-F115 VanDerWaalsContact O-CE1 3.27Å; K51-F115 WeakPolarHBondContact O-CE1 3.3Å; K51-F115 VanDerWaalsContact O-CZ 3.26Å; K51-F115 WeakPolarHBondContact O-CZ 3.32Å
52S73.7Confident76Confident104 Ų10474 Ų7473%0.72739%0.394SS*.  trans-84.9145.5168.6520000111.2
53F79.6Confident77.3Confident54 Ų5469 Ų6924%0.23737%0.365CS..  trans-106.8158.4166.258.5-88.9000109.3I40 L43 I58 L112 F115I40-F53 HydrophobicContact CD1-CE1 4.25Å; I40-F53 HydrophobicContact CD1-CE2 4.2Å; I40-F53 HydrophobicContact CD1-CZ 3.58Å; I40-F53 HydrophobicContact CG1-CZ 4.28Å; I40-F53 HydrophobicContact CG2-CE1 4.17Å; L43-F53 HydrophobicContact CD1-CD1 3.43Å; L43-F53 VanDerWaalsContact CD1-CD1 3.43Å; L43-F53 HydrophobicContact CD1-CE1 3.55Å; F53-I58 HydrophobicContact CD2-CD1 3.46Å; F53-I58 VanDerWaalsContact CD2-CD1 3.46Å; F53-I58 HydrophobicContact CD2-CG1 4.09Å; F53-I58 HydrophobicContact CE2-CD1 3.42Å; F53-I58 VanDerWaalsContact CE2-CD1 3.42Å; F53-I58 HydrophobicContact CE2-CG1 4.5Å; F53-I58 HydrophobicContact CG-CD1 4.39Å; F53-I58 HydrophobicContact CZ-CD1 4.31Å; F53-L112 HydrophobicContact CB-CD1 3.65Å; F53-L112 HydrophobicContact CD1-CD1 4.44Å; F53-L112 HydrophobicContact CD2-CD1 4.4Å; F53-L112 HydrophobicContact CG-CD1 3.9Å; F53-F115 HydrophobicContact CB-CE2 3.96Å; F53-F115 HydrophobicContact CB-CZ 4.17Å; F53-F115 HydrophobicContact CD1-CZ 4.35Å
54T86.3Confident78.8Confident70 Ų7073 Ų7343%0.42938%0.384SS..  trans-93.1147.8169.563.60000111.6W56 E57 I58T54-W56 PolarHBondContact O-N 3.17Å; T54-E57 PolarHBondContact N-OE2 3.08Å; T54-E57 PolarHBondContact O-N 2.91Å; T54-E57 VanDerWaalsContact OG1-CG 3.3Å; T54-E57 WeakPolarHBondContact OG1-CG 3.47Å; T54-E57 PolarHBondContact OG1-N 3.25Å; T54-E57 VanDerWaalsContact OG1-N 3.1Å; T54-E57 PolarHBondContact OG1-OE2 3.19Å; T54-I58 PolarHBondContact O-N 3.38Å
55T89.2Confident80.2Confident59 Ų5970.7 Ų70.736%0.36238%0.375SS..Hα-helixtrans-52.3-34.5167.7-52.70000111.9I58 I59 V78 F88T55-I58 PolarHBondContact O-N 3.38Å; T55-I59 HydrophobicContact CG2-CD1 4.05Å; T55-I59 WeakPolarHBondContact O-CG1 3.41Å; T55-I59 PolarHBondContact O-N 3.1Å; T55-V78 HydrophobicContact CG2-CG2 3.43Å; T55-V78 VanDerWaalsContact CG2-CG2 3.43Å; T55-F88 HydrophobicContact CG2-CE1 3.76Å; T55-F88 HydrophobicContact CG2-CZ 4.27Å
56W89.3Confident81.8Confident165 Ų16569.3 Ų69.363%0.62537%0.368SS*.Hα-helixtrans-69.1-41.1-178.8-173.786.3000112.8T54 I58 I59 E60T54-W56 PolarHBondContact O-N 3.17Å; W56-I58 VanDerWaalsContact C-N 3.29Å; W56-I58 PolarHBondContact O-N 3.37Å; W56-I59 PolarHBondContact O-N 2.72Å; W56-E60 HydrophobicContact CD2-CG 4.06Å; W56-E60 HydrophobicContact CE3-CG 4.19Å; W56-E60 HydrophobicContact CH2-CG 3.82Å; W56-E60 HydrophobicContact CZ2-CG 3.66Å; W56-E60 HydrophobicContact CZ3-CG 4.08Å; W56-E60 PolarHBondContact O-N 3.49Å
57E89.5Confident83.1Confident44 Ų4468 Ų6821%0.20636%0.361CS..Hα-helixtrans-59.5-39.4172.6-78.1165.3105.700112.3T54 K61 L112 S113T54-E57 PolarHBondContact N-OE2 3.08Å; T54-E57 PolarHBondContact O-N 2.91Å; T54-E57 VanDerWaalsContact OG1-CG 3.3Å; T54-E57 WeakPolarHBondContact OG1-CG 3.47Å; T54-E57 PolarHBondContact OG1-N 3.25Å; T54-E57 VanDerWaalsContact OG1-N 3.1Å; T54-E57 PolarHBondContact OG1-OE2 3.19Å; E57-K61 WeakPolarHBondContact O-CB 3.27Å; E57-K61 VanDerWaalsContact O-CG 3.31Å; E57-K61 WeakPolarHBondContact O-CG 3.13Å; E57-K61 PolarHBondContact O-N 2.9Å; E57-L112 HydrophobicContact CB-CD2 4.48Å; E57-S113 PolarHBondContact OE1-OG 3.06Å
58I91.8Very high84.2Confident0 Ų068.4 Ų68.40%038%0.377CS..Hα-helixtrans-65.4-45.6175-68.3178.4000110.5V38 F53 T54 T55 W56 E60 K61 I62 F88 I110 L112V38-I58 HydrophobicContact CB-CG2 4.35Å; V38-I58 HydrophobicContact CG1-CG2 4.44Å; V38-I58 HydrophobicContact CG2-CG2 3.78Å; F53-I58 HydrophobicContact CD2-CD1 3.46Å; F53-I58 VanDerWaalsContact CD2-CD1 3.46Å; F53-I58 HydrophobicContact CD2-CG1 4.09Å; F53-I58 HydrophobicContact CE2-CD1 3.42Å; F53-I58 VanDerWaalsContact CE2-CD1 3.42Å; F53-I58 HydrophobicContact CE2-CG1 4.5Å; F53-I58 HydrophobicContact CG-CD1 4.39Å; F53-I58 HydrophobicContact CZ-CD1 4.31Å; T54-I58 PolarHBondContact O-N 3.38Å; T55-I58 PolarHBondContact O-N 3.38Å; W56-I58 VanDerWaalsContact C-N 3.29Å; W56-I58 PolarHBondContact O-N 3.37Å; I58-E60 PolarHBondContact O-N 3.38Å; I58-K61 PolarHBondContact O-N 2.92Å; I58-I62 HydrophobicContact CG2-CD1 3.7Å; I58-I62 HydrophobicContact CG2-CG1 4.35Å; I58-I62 VanDerWaalsContact O-CG1 3.3Å; I58-I62 WeakPolarHBondContact O-CG1 3.41Å; I58-I62 PolarHBondContact O-N 2.95Å; I58-F88 HydrophobicContact CB-CZ 4.21Å; I58-F88 HydrophobicContact CG2-CE2 3.58Å; I58-F88 HydrophobicContact CG2-CZ 3.57Å; I58-I110 HydrophobicContact CG2-CD1 4.13Å; I58-L112 HydrophobicContact CD1-CD1 4.35Å; I58-L112 HydrophobicContact CG1-CD1 3.89Å; I58-L112 HydrophobicContact CG1-CD2 4.09Å
59I92.5Very high85.2Confident19 Ų1967.5 Ų67.510%0.09736%0.361CS..Hα-helixtrans-57.6-49.5176.9-76.9168.7000111T55 W56 K61 I62 R63 M76 F88T55-I59 HydrophobicContact CG2-CD1 4.05Å; T55-I59 WeakPolarHBondContact O-CG1 3.41Å; T55-I59 PolarHBondContact O-N 3.1Å; W56-I59 PolarHBondContact O-N 2.72Å; I59-K61 VanDerWaalsContact C-N 3.31Å; I59-K61 PolarHBondContact O-N 2.84Å; I59-I62 PolarHBondContact O-N 3.35Å; I59-I62 VanDerWaalsContact O-N 3.17Å; I59-R63 WeakPolarHBondContact O-CG 3.24Å; I59-R63 PolarHBondContact O-N 3.04Å; I59-M76 HydrophobicContact CB-SD 4.48Å; I59-M76 HydrophobicContact CD1-CB 4.29Å; I59-M76 HydrophobicContact CG1-CB 4.33Å; I59-M76 HydrophobicContact CG1-CE 4.17Å; I59-M76 HydrophobicContact CG1-SD 4.37Å; I59-M76 HydrophobicContact CG2-SD 3.83Å; I59-F88 HydrophobicContact CD1-CD1 4.39Å; I59-F88 HydrophobicContact CD1-CE1 3.93Å; I59-F88 HydrophobicContact CG1-CD1 4.17Å; I59-F88 HydrophobicContact CG1-CE1 3.64Å; I59-F88 HydrophobicContact CG1-CZ 4.23Å
60E92.2Very high86.5Confident48 Ų4860.9 Ų60.922%0.22433%0.33CS..Hα-helixtrans-62.2-37.3178-76-55.8122.900112.8W56 I58 R63 Q64W56-E60 HydrophobicContact CD2-CG 4.06Å; W56-E60 HydrophobicContact CE3-CG 4.19Å; W56-E60 HydrophobicContact CH2-CG 3.82Å; W56-E60 HydrophobicContact CZ2-CG 3.66Å; W56-E60 HydrophobicContact CZ3-CG 4.08Å; W56-E60 PolarHBondContact O-N 3.49Å; I58-E60 PolarHBondContact O-N 3.38Å; E60-R63 PolarHBondContact O-N 2.94Å; E60-R63 WeakPolarHBondContact OE1-CD 3.5Å; E60-R63 IonicContact OE1-CZ 2.8Å; E60-R63 IonicContact OE1-NE 2.85Å; E60-R63 IonicContact OE1-NH1 3.83Å; E60-R63 PolarHBondContact OE1-NH1 2.78Å; E60-Q64 VanDerWaalsContact O-CG 3.26Å; E60-Q64 WeakPolarHBondContact O-CG 3.27Å; E60-Q64 PolarHBondContact O-N 2.87Å; E60-Q64 PolarHBondContact O-NE2 3.38Å
61K92.3Very high87.5Confident74 Ų7455.3 Ų55.332%0.32231%0.305SS..Hα-helixtrans-69.9-32.6175.2-73.7-73.6164.7-157.50113.3E57 I58 I59 I110 K111 L112E57-K61 WeakPolarHBondContact O-CB 3.27Å; E57-K61 VanDerWaalsContact O-CG 3.31Å; E57-K61 WeakPolarHBondContact O-CG 3.13Å; E57-K61 PolarHBondContact O-N 2.9Å; I58-K61 PolarHBondContact O-N 2.92Å; I59-K61 VanDerWaalsContact C-N 3.31Å; I59-K61 PolarHBondContact O-N 2.84Å; K61-I110 HydrophobicContact CB-CB 3.96Å; K61-I110 HydrophobicContact CB-CD1 4.01Å; K61-I110 HydrophobicContact CB-CG2 3.95Å; K61-K111 WeakPolarHBondContact CE-O 3.23Å; K61-L112 HydrophobicContact CG-CD2 4.07Å
62I93.9Very high88.4Confident0 Ų056.6 Ų56.60%032%0.322CS..Hα-helixtrans-69-42.5171.4-67.4163.2000110.7I36 V38 I58 I59 Q64 L65 L70 M76 F88 L105I36-I62 HydrophobicContact CD1-CG2 3.82Å; I36-I62 HydrophobicContact CG2-CD1 4.08Å; V38-I62 HydrophobicContact CG2-CD1 3.88Å; V38-I62 HydrophobicContact CG2-CG1 4.42Å; I58-I62 HydrophobicContact CG2-CD1 3.7Å; I58-I62 HydrophobicContact CG2-CG1 4.35Å; I58-I62 VanDerWaalsContact O-CG1 3.3Å; I58-I62 WeakPolarHBondContact O-CG1 3.41Å; I58-I62 PolarHBondContact O-N 2.95Å; I59-I62 PolarHBondContact O-N 3.35Å; I59-I62 VanDerWaalsContact O-N 3.17Å; I62-Q64 VanDerWaalsContact C-N 3.29Å; I62-Q64 PolarHBondContact O-N 3.41Å; I62-L65 WeakPolarHBondContact O-CB 3.47Å; I62-L65 PolarHBondContact O-N 3.49Å; I62-L65 VanDerWaalsContact O-N 3.08Å; I62-L70 HydrophobicContact CG2-CD1 3.74Å; I62-M76 HydrophobicContact CB-CE 4.05Å; I62-M76 HydrophobicContact CD1-CE 3.93Å; I62-M76 HydrophobicContact CG2-CE 3.72Å; I62-F88 HydrophobicContact CD1-CD2 3.97Å; I62-F88 HydrophobicContact CD1-CE2 3.82Å; I62-F88 HydrophobicContact CD1-CZ 4.48Å; I62-L105 HydrophobicContact CG2-CD1 3.92Å; I62-L105 HydrophobicContact CG2-CD2 4.35Å
63R93.6Very high88.7Confident36 Ų3656.3 Ų56.314%0.13632%0.32CS..Hα-helixtrans-57.7-41.7175.8-70.8177.6168.4151.6-2.3111.9I59 E60 L65 C66 P67 L70 P72 T74 M76I59-R63 WeakPolarHBondContact O-CG 3.24Å; I59-R63 PolarHBondContact O-N 3.04Å; E60-R63 PolarHBondContact O-N 2.94Å; E60-R63 WeakPolarHBondContact OE1-CD 3.5Å; E60-R63 IonicContact OE1-CZ 2.8Å; E60-R63 IonicContact OE1-NE 2.85Å; E60-R63 IonicContact OE1-NH1 3.83Å; E60-R63 PolarHBondContact OE1-NH1 2.78Å; R63-L65 PolarHBondContact O-N 2.84Å; R63-C66 CarbonylContact O-C 3.59Å; R63-C66 PolarHBondContact O-N 2.85Å; R63-C66 VanDerWaalsContact O-N 3.1Å; R63-P67 WeakPolarHBondContact O-CA 3.42Å; R63-P67 VanDerWaalsContact O-N 3.12Å; R63-L70 HydrophobicContact CG-CB 4.22Å; R63-L70 VanDerWaalsContact CG-O 3.3Å; R63-L70 WeakPolarHBondContact CG-O 3.11Å; R63-P72 PolarHBondContact NH2-O 3.5Å; R63-T74 PolarHBondContact NH2-O 3.13Å; R63-M76 HydrophobicContact CG-SD 4.3Å
64Q91.5Very high89Confident109 Ų10954.7 Ų54.751%0.50932%0.315SS..Hα-helixtrans-61.2-22.2176.9-73.816231.700114.1E60 I62E60-Q64 VanDerWaalsContact O-CG 3.26Å; E60-Q64 WeakPolarHBondContact O-CG 3.27Å; E60-Q64 PolarHBondContact O-N 2.87Å; E60-Q64 PolarHBondContact O-NE2 3.38Å; I62-Q64 VanDerWaalsContact C-N 3.29Å; I62-Q64 PolarHBondContact O-N 3.41Å
65L91.8Very high88.9Confident53 Ų5355.3 Ų55.328%0.27732%0.318SS..Hα-helixtrans-83.6-19.7175.6-66175.2000113.9I62 R63 L105 Q108 I110 V121I62-L65 WeakPolarHBondContact O-CB 3.47Å; I62-L65 PolarHBondContact O-N 3.49Å; I62-L65 VanDerWaalsContact O-N 3.08Å; R63-L65 PolarHBondContact O-N 2.84Å; L65-L105 HydrophobicContact CB-CD2 3.45Å; L65-L105 VanDerWaalsContact CB-CD2 3.45Å; L65-L105 HydrophobicContact CD1-CD2 3.73Å; L65-L105 HydrophobicContact CG-CD2 4.26Å; L65-Q108 HydrophobicContact CD1-CB 3.82Å; L65-Q108 HydrophobicContact CD1-CG 4.37Å; L65-I110 HydrophobicContact CD1-CG2 3.63Å; L65-I110 HydrophobicContact CG-CG2 4.26Å; L65-V121 HydrophobicContact CD1-CG2 4.3Å
66C90.4Very high89Confident11 Ų1153.4 Ų53.47%0.07431%0.305CS..SBendtrans-147.156.4-179.9-158.50000112.5R63 G68 I69 L70R63-C66 CarbonylContact O-C 3.59Å; R63-C66 PolarHBondContact O-N 2.85Å; R63-C66 VanDerWaalsContact O-N 3.1Å; C66-G68 VanDerWaalsContact C-N 3.28Å; C66-G68 PolarHBondContact O-N 3.36Å; C66-I69 PolarHBondContact O-N 3.02Å; C66-I69 VanDerWaalsContact O-N 3.13Å; C66-L70 HydrophobicContact CB-CD1 3.97Å; C66-L70 HydrophobicContact CB-CG 4.07Å; C66-L70 WeakPolarHBondContact O-CB 3.3Å; C66-L70 PolarHBondContact O-N 3.13Å
67P86.7Confident89Confident93 Ų9350.4 Ų50.460%0.60430%0.297SS*.THydrogen-bonded Turntrans-66.8-23.9-164.925.9-35.9000114.5R63 I69R63-P67 WeakPolarHBondContact O-CA 3.42Å; R63-P67 VanDerWaalsContact O-N 3.12Å; P67-I69 PolarHBondContact O-N 3.06Å
68G84.6Confident89.1Confident79 Ų7951.6 Ų51.681%0.81431%0.307SS*.THydrogen-bonded Turntrans-75.9-3.1177.100000115.2C66C66-G68 VanDerWaalsContact C-N 3.28Å; C66-G68 PolarHBondContact O-N 3.36Å
69I87.4Confident89Confident27 Ų2756 Ų5614%0.13833%0.334CS..THydrogen-bonded Turntrans-131.8-41.5178.8-45.9179.3000110.4C66 P67 A71 T74 L92 D97 R100 V101C66-I69 PolarHBondContact O-N 3.02Å; C66-I69 VanDerWaalsContact O-N 3.13Å; P67-I69 PolarHBondContact O-N 3.06Å; I69-A71 PolarHBondContact O-N 3.05Å; I69-A71 VanDerWaalsContact O-N 3.08Å; I69-T74 PolarHBondContact O-OG1 3.18Å; I69-L92 HydrophobicContact CG2-CD2 4.18Å; I69-D97 HydrophobicContact CG2-CB 3.93Å; I69-R100 HydrophobicContact CD1-CB 3.56Å; I69-R100 HydrophobicContact CD1-CG 4.48Å; I69-V101 HydrophobicContact CB-CG2 3.98Å; I69-V101 HydrophobicContact CD1-CG2 3.83Å; I69-V101 HydrophobicContact CG2-CG2 3.68Å
70L89.8Confident89Confident2 Ų259.8 Ų59.81%0.0135%0.351CS..SBendtrans-88.660.1177.5-55.5-174.4000110.1I62 R63 C66 T74 V90 L92 V101 L105I62-L70 HydrophobicContact CG2-CD1 3.74Å; R63-L70 HydrophobicContact CG-CB 4.22Å; R63-L70 VanDerWaalsContact CG-O 3.3Å; R63-L70 WeakPolarHBondContact CG-O 3.11Å; C66-L70 HydrophobicContact CB-CD1 3.97Å; C66-L70 HydrophobicContact CB-CG 4.07Å; C66-L70 WeakPolarHBondContact O-CB 3.3Å; C66-L70 PolarHBondContact O-N 3.13Å; L70-T74 HydrophobicContact CD2-CG2 4.18Å; L70-V90 HydrophobicContact CD2-CG1 4.04Å; L70-L92 HydrophobicContact CD2-CD2 3.88Å; L70-V101 HydrophobicContact CD1-CG1 4.28Å; L70-V101 HydrophobicContact CD2-CG1 4.31Å; L70-V101 HydrophobicContact CD2-CG2 4.12Å; L70-V101 HydrophobicContact CG-CG2 4.41Å; L70-L105 HydrophobicContact CD1-CD1 4.07Å
71A85.3Confident88.9Confident31 Ų3161.5 Ų61.526%0.25637%0.365SS..  trans-63.1163.117400000111.5I69 S73 T74I69-A71 PolarHBondContact O-N 3.05Å; I69-A71 VanDerWaalsContact O-N 3.08Å; A71-S73 PolarHBondContact O-N 2.89Å; A71-S73 VanDerWaalsContact O-N 3.15Å; A71-T74 PolarHBondContact N-OG1 3.27Å; A71-T74 WeakPolarHBondContact O-CB 3.09Å; A71-T74 PolarHBondContact O-N 3.35Å; A71-T74 PolarHBondContact O-OG1 3.08Å
72P84.1Confident88.7Confident110 Ų11060 Ų6071%0.71436%0.362SS*.THydrogen-bonded Turntrans-57.8-26.5174.8-27.236.7000114.3R63R63-P72 PolarHBondContact NH2-O 3.5Å
73S81.2Confident88.2Confident98 Ų9867.6 Ų67.669%0.68540%0.402SS*.THydrogen-bonded Turntrans-74.9-18.6173.948.10000114.4A71 V75A71-S73 PolarHBondContact O-N 2.89Å; A71-S73 VanDerWaalsContact O-N 3.15Å; S73-V75 PolarHBondContact O-N 3.45Å
74T86.4Confident87.8Confident21 Ų2172.5 Ų72.513%0.12943%0.426CS..SBendtrans-72.2120.1-179.2-52.50000109.7R63 I69 L70 A71 M76 V90 L92R63-T74 PolarHBondContact NH2-O 3.13Å; I69-T74 PolarHBondContact O-OG1 3.18Å; L70-T74 HydrophobicContact CD2-CG2 4.18Å; A71-T74 PolarHBondContact N-OG1 3.27Å; A71-T74 WeakPolarHBondContact O-CB 3.09Å; A71-T74 PolarHBondContact O-N 3.35Å; A71-T74 PolarHBondContact O-OG1 3.08Å; T74-M76 PolarHBondContact O-N 2.83Å; T74-V90 HydrophobicContact CG2-CG1 3.63Å; T74-L92 HydrophobicContact CG2-CD2 3.83Å
75V83.4Confident87.7Confident82 Ų8269 Ų6950%0.49741%0.409SS..  trans-80.9113.9-171.2-175.60000110.5S73 K77 D91S73-V75 PolarHBondContact O-N 3.45Å; V75-K77 HydrophobicContact CG1-CG 4.09Å; V75-D91 PolarHBondContact O-N 2.99Å
76M90.5Very high87.8Confident19 Ų1966.7 Ų66.79%0.09440%0.397CS..EExtended strand (participates in β ladder)trans-107.9101.8178.6-60.4-177.862.700109.9I36 I59 I62 R63 T74 V90I36-M76 HydrophobicContact CD1-CE 4.2Å; I59-M76 HydrophobicContact CB-SD 4.48Å; I59-M76 HydrophobicContact CD1-CB 4.29Å; I59-M76 HydrophobicContact CG1-CB 4.33Å; I59-M76 HydrophobicContact CG1-CE 4.17Å; I59-M76 HydrophobicContact CG1-SD 4.37Å; I59-M76 HydrophobicContact CG2-SD 3.83Å; I62-M76 HydrophobicContact CB-CE 4.05Å; I62-M76 HydrophobicContact CD1-CE 3.93Å; I62-M76 HydrophobicContact CG2-CE 3.72Å; R63-M76 HydrophobicContact CG-SD 4.3Å; T74-M76 PolarHBondContact O-N 2.83Å; M76-V90 HydrophobicContact CB-CG2 4.33Å; M76-V90 HydrophobicContact CE-CG2 4.04Å; M76-V90 HydrophobicContact CG-CG1 4.04Å; M76-V90 HydrophobicContact CG-CG2 3.83Å
77K90.3Very high87.9Confident103 Ų10371.1 Ų71.145%0.44841%0.412SS..EExtended strand (participates in β ladder)trans-89.1130.6-178.6-64.9164.2-178.4161.70109.7V75 V79 F88 A89 D91V75-K77 HydrophobicContact CG1-CG 4.09Å; K77-V79 PolarHBondContact O-N 2.85Å; K77-F88 CarbonylContact O-C 3.5Å; K77-F88 VanDerWaalsContact O-CA 3.22Å; K77-F88 WeakPolarHBondContact O-CA 3.38Å; K77-A89 PolarHBondContact N-O 3.43Å; K77-A89 PolarHBondContact O-N 3.15Å; K77-D91 IonicContact NZ-OD2 2.71Å; K77-D91 PolarHBondContact NZ-OD2 2.92Å
78V91.6Very high88.3Confident68 Ų6866.7 Ų66.741%0.41238%0.383SS..EExtended strand (participates in β ladder)trans-71.6125.9167.8-177.90000108.4T55 T81 V86 F88T55-V78 HydrophobicContact CG2-CG2 3.43Å; T55-V78 VanDerWaalsContact CG2-CG2 3.43Å; V78-T81 WeakPolarHBondContact CG1-OG1 3.3Å; V78-V86 HydrophobicContact CG1-CG1 4.34Å; V78-F88 HydrophobicContact CG2-CD1 4.1Å; V78-F88 HydrophobicContact CG2-CE1 3.91Å
79V90.4Very high88.7Confident94 Ų9463.6 Ų63.657%0.5735%0.35SS*.EExtended strand (participates in β ladder)trans-101.5-38.2177.9176.90000111K77 R87 A89K77-V79 PolarHBondContact O-N 2.85Å; V79-R87 PolarHBondContact N-O 3.37Å; V79-A89 HydrophobicContact CG2-CB 3.44Å; V79-A89 VanDerWaalsContact CG2-CB 3.44Å
80H91.4Very high89Confident97 Ų9762.3 Ų62.345%0.44934%0.344SS..EExtended strand (participates in β ladder)trans-156.8140-175.9-162.473.7000110.6T82 F85 R87H80-T82 VanDerWaalsContact CD2-CG2 3.47Å; H80-T82 WeakPolarHBondContact CD2-CG2 3.41Å; H80-T82 VanDerWaalsContact NE2-CG2 3.29Å; H80-T82 WeakPolarHBondContact NE2-CG2 3.36Å; H80-F85 AromaticContact CD2-CE2 3.74Å; H80-F85 AromaticContact CD2-CZ 3.99Å; H80-R87 HydrophobicContact CB-CB 4.28Å; H80-R87 PolarHBondContact N-O 2.69Å; H80-R87 PolarHBondContact O-N 3.35Å
81T90.7Very high89Confident84 Ų8463.5 Ų63.552%0.51535%0.35SS..EExtended strand (participates in β ladder)trans-133.6127.2177.7-67.20000108.6V78 V86V78-T81 WeakPolarHBondContact CG1-OG1 3.3Å; T81-V86 HydrophobicContact CG2-CG2 3.94Å
82T88Confident89.1Confident44 Ų4463 Ų6327%0.2734%0.343SS..  trans-127.3177.4173.172.10000109.7H80 E84 F85H80-T82 VanDerWaalsContact CD2-CG2 3.47Å; H80-T82 WeakPolarHBondContact CD2-CG2 3.41Å; H80-T82 VanDerWaalsContact NE2-CG2 3.29Å; H80-T82 WeakPolarHBondContact NE2-CG2 3.36Å; T82-E84 PolarHBondContact O-N 2.86Å; T82-E84 PolarHBondContact OG1-N 2.99Å; T82-E84 VanDerWaalsContact OG1-N 3.1Å; T82-F85 HydrophobicContact CG2-CE1 4.1Å; T82-F85 HydrophobicContact CG2-CE2 4.21Å; T82-F85 HydrophobicContact CG2-CZ 3.87Å; T82-F85 PolarHBondContact N-O 2.88Å; T82-F85 WeakPolarHBondContact OG1-CD1 3.33Å; T82-F85 PolarHBondContact OG1-N 3.37Å; T82-F85 PolarHBondContact OG1-O 3.08Å
83L82.7Confident89.1Confident159 Ų15961.8 Ų61.883%0.83233%0.328SS*.SBendtrans-67.7-19.8170.4-60.4177.3000112.9
84E85.1Confident89.2Confident138 Ų13857.8 Ų57.865%0.64530%0.299SS*.SBendtrans-101.6-22.9-175.3-62.9-176.8170.200113.8I40 T82I40-E84 PolarHBondContact N-O 3.31Å; I40-E84 CarbonylContact O-C 3.58Å; I40-E84 VanDerWaalsContact O-CA 3.3Å; I40-E84 WeakPolarHBondContact O-CA 3.48Å; I40-E84 VanDerWaalsContact O-O 3.14Å; T82-E84 PolarHBondContact O-N 2.86Å; T82-E84 PolarHBondContact OG1-N 2.99Å; T82-E84 VanDerWaalsContact OG1-N 3.1Å
85F90.7Very high89.2Confident37 Ų3759.9 Ų59.916%0.16231%0.306CS..EExtended strand (participates in β ladder)trans-165157.4-178.862.7-93.2000114T37 V38 H80 T82 R87T37-F85 HydrophobicContact CG2-CB 3.86Å; T37-F85 HydrophobicContact CG2-CD2 4.01Å; T37-F85 HydrophobicContact CG2-CG 4.09Å; V38-F85 CarbonylContact O-C 3.5Å; V38-F85 WeakPolarHBondContact O-CA 3.4Å; V38-F85 VanDerWaalsContact O-CB 3.27Å; V38-F85 WeakPolarHBondContact O-CB 3.33Å; H80-F85 AromaticContact CD2-CE2 3.74Å; H80-F85 AromaticContact CD2-CZ 3.99Å; T82-F85 HydrophobicContact CG2-CE1 4.1Å; T82-F85 HydrophobicContact CG2-CE2 4.21Å; T82-F85 HydrophobicContact CG2-CZ 3.87Å; T82-F85 PolarHBondContact N-O 2.88Å; T82-F85 WeakPolarHBondContact OG1-CD1 3.33Å; T82-F85 PolarHBondContact OG1-N 3.37Å; T82-F85 PolarHBondContact OG1-O 3.08Å; F85-R87 HydrophobicContact CD2-CG 3.81Å; F85-R87 HydrophobicContact CE2-CG 3.83Å; F85-R87 VanDerWaalsContact CE2-NE 3.33Å
86V92.4Very high89.4Confident3 Ų360 Ų602%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-113.7135.9164.2175.80000109.2T37 V38 I40 V78 T81 F88T37-V86 WeakPolarHBondContact CA-O 3.36Å; V38-V86 PolarHBondContact N-O 3.38Å; V38-V86 PolarHBondContact O-N 3.31Å; I40-V86 HydrophobicContact CD1-CB 4.27Å; I40-V86 HydrophobicContact CD1-CG2 3.61Å; V78-V86 HydrophobicContact CG1-CG1 4.34Å; T81-V86 HydrophobicContact CG2-CG2 3.94Å; V86-F88 HydrophobicContact CB-CE2 4.18Å; V86-F88 HydrophobicContact CB-CZ 4.38Å; V86-F88 HydrophobicContact CG1-CD2 4.17Å; V86-F88 HydrophobicContact CG1-CE1 4.04Å; V86-F88 HydrophobicContact CG1-CE2 3.55Å; V86-F88 HydrophobicContact CG1-CZ 3.48Å; V86-F88 VanDerWaalsContact CG1-CZ 3.48Å
87R94.2Very high89.4Confident104 Ų10460.1 Ų60.139%0.39231%0.308SS..EExtended strand (participates in β ladder)trans-110.3129.5172-74-176.9-168.7174.28.1111.5I36 T37 V79 H80 F85I36-R87 CarbonylContact O-C 3.46Å; I36-R87 WeakPolarHBondContact O-CA 3.22Å; T37-R87 HydrophobicContact CG2-CG 4.08Å; V79-R87 PolarHBondContact N-O 3.37Å; H80-R87 HydrophobicContact CB-CB 4.28Å; H80-R87 PolarHBondContact N-O 2.69Å; H80-R87 PolarHBondContact O-N 3.35Å; F85-R87 HydrophobicContact CD2-CG 3.81Å; F85-R87 HydrophobicContact CE2-CG 3.83Å; F85-R87 VanDerWaalsContact CE2-NE 3.33Å
88F94.7Very high89.4Confident0 Ų055.2 Ų55.20%029%0.287CS..EExtended strand (participates in β ladder)trans-108.8142.5171.4-53.6-91.1000110.1C35 I36 V38 T55 I58 I59 I62 K77 V78 V86C35-F88 WeakPolarHBondContact CA-O 3.37Å; I36-F88 HydrophobicContact CB-CB 4.41Å; I36-F88 PolarHBondContact N-O 2.94Å; I36-F88 PolarHBondContact O-N 2.72Å; V38-F88 HydrophobicContact CG2-CE2 4.15Å; T55-F88 HydrophobicContact CG2-CE1 3.76Å; T55-F88 HydrophobicContact CG2-CZ 4.27Å; I58-F88 HydrophobicContact CB-CZ 4.21Å; I58-F88 HydrophobicContact CG2-CE2 3.58Å; I58-F88 HydrophobicContact CG2-CZ 3.57Å; I59-F88 HydrophobicContact CD1-CD1 4.39Å; I59-F88 HydrophobicContact CD1-CE1 3.93Å; I59-F88 HydrophobicContact CG1-CD1 4.17Å; I59-F88 HydrophobicContact CG1-CE1 3.64Å; I59-F88 HydrophobicContact CG1-CZ 4.23Å; I62-F88 HydrophobicContact CD1-CD2 3.97Å; I62-F88 HydrophobicContact CD1-CE2 3.82Å; I62-F88 HydrophobicContact CD1-CZ 4.48Å; K77-F88 CarbonylContact O-C 3.5Å; K77-F88 VanDerWaalsContact O-CA 3.22Å; K77-F88 WeakPolarHBondContact O-CA 3.38Å; V78-F88 HydrophobicContact CG2-CD1 4.1Å; V78-F88 HydrophobicContact CG2-CE1 3.91Å; V86-F88 HydrophobicContact CB-CE2 4.18Å; V86-F88 HydrophobicContact CB-CZ 4.38Å; V86-F88 HydrophobicContact CG1-CD2 4.17Å; V86-F88 HydrophobicContact CG1-CE1 4.04Å; V86-F88 HydrophobicContact CG1-CE2 3.55Å; V86-F88 HydrophobicContact CG1-CZ 3.48Å; V86-F88 VanDerWaalsContact CG1-CZ 3.48Å
89A93.2Very high89.5Confident14 Ų1460.4 Ų60.412%0.11630%0.299CS..EExtended strand (participates in β ladder)trans-101.5128.6157.500000108.3V34 K77 V79V34-A89 WeakPolarHBondContact O-CA 3.32Å; K77-A89 PolarHBondContact N-O 3.43Å; K77-A89 PolarHBondContact O-N 3.15Å; V79-A89 HydrophobicContact CG2-CB 3.44Å; V79-A89 VanDerWaalsContact CG2-CB 3.44Å
90V93.2Very high89.6Confident0 Ų061.3 Ų61.30%029%0.292CS..EExtended strand (participates in β ladder)trans-114.7115.1177.9-171.20000108.1R33 V34 I36 L70 T74 M76 L92R33-V90 VanDerWaalsContact CA-O 3.31Å; R33-V90 WeakPolarHBondContact CA-O 3.35Å; V34-V90 PolarHBondContact N-O 3.39Å; V34-V90 PolarHBondContact O-N 2.86Å; I36-V90 HydrophobicContact CD1-CG2 3.51Å; I36-V90 HydrophobicContact CG1-CG2 4.14Å; L70-V90 HydrophobicContact CD2-CG1 4.04Å; T74-V90 HydrophobicContact CG2-CG1 3.63Å; M76-V90 HydrophobicContact CB-CG2 4.33Å; M76-V90 HydrophobicContact CE-CG2 4.04Å; M76-V90 HydrophobicContact CG-CG1 4.04Å; M76-V90 HydrophobicContact CG-CG2 3.83Å; V90-L92 HydrophobicContact CG1-CD2 3.75Å; V90-L92 HydrophobicContact CG1-CG 4.39Å
91D88.9Confident89.7Confident28 Ų2856.7 Ų56.715%0.1527%0.271CS..EExtended strand (participates in β ladder)trans-77.1122.9168.3-72.3-60.9000108.1R33 V75 K77 K353R33-D91 IonicContact CZ-OD1 2.94Å; R33-D91 VanDerWaalsContact CZ-OD1 3.25Å; R33-D91 IonicContact NE-OD1 3.25Å; R33-D91 PolarHBondContact NE-OD1 3.24Å; R33-D91 IonicContact NH2-OD1 2.81Å; R33-D91 PolarHBondContact NH2-OD1 2.94Å; R33-D91 IonicContact NH2-OD2 3.18Å; V75-D91 PolarHBondContact O-N 2.99Å; K77-D91 IonicContact NZ-OD2 2.71Å; K77-D91 PolarHBondContact NZ-OD2 2.92Å; D91-K353 IonicContact OD1-NZ 3.33Å
92L89.2Confident89.9Confident21 Ų2154.2 Ų54.211%0.1126%0.255CS..  trans-109.3170.6177.3-61.6-178.6000110.3A32 V34 I69 L70 T74 V90 D97 V98 V101A32-L92 HydrophobicContact CB-CB 4.08Å; A32-L92 PolarHBondContact O-N 3.43Å; V34-L92 HydrophobicContact CG2-CD1 3.62Å; V34-L92 HydrophobicContact CG2-CG 4.47Å; I69-L92 HydrophobicContact CG2-CD2 4.18Å; L70-L92 HydrophobicContact CD2-CD2 3.88Å; T74-L92 HydrophobicContact CG2-CD2 3.83Å; V90-L92 HydrophobicContact CG1-CD2 3.75Å; V90-L92 HydrophobicContact CG1-CG 4.39Å; L92-D97 HydrophobicContact CB-CB 4.38Å; L92-D97 HydrophobicContact CD1-CB 4.04Å; L92-V98 HydrophobicContact CD1-CG2 4.17Å; L92-V101 HydrophobicContact CD1-CB 4.2Å; L92-V101 HydrophobicContact CD1-CG2 3.84Å; L92-V101 HydrophobicContact CD2-CG2 4.48Å
93E82.3Confident90.2Very high84 Ų8457.5 Ų57.539%0.39328%0.276SS..SBendtrans-81.8-52-177.2-51.8-152.3145.600111.5K13 K29K13-E93 VanDerWaalsContact CE-OE1 3.23Å; K13-E93 WeakPolarHBondContact CE-OE1 3.49Å; K13-E93 WeakPolarHBondContact CE-OE2 3.47Å; K13-E93 WeakPolarHBondContact CG-OE2 3.3Å; K13-E93 IonicContact NZ-OE1 2.75Å; K13-E93 PolarHBondContact NZ-OE1 2.9Å; K13-E93 IonicContact NZ-OE2 3.08Å; K29-E93 WeakPolarHBondContact CE-O 3.47Å; K29-E93 PolarHBondContact NZ-O 2.71Å
94N84.7Confident90.6Very high14 Ų1452.3 Ų52.38%0.07525%0.253CS..SBendtrans-127154.7-171.7-68.922.8000112.7P12 S15 D16 K29 A32 T96 D97P12-N94 PolarHBondContact O-ND2 2.71Å; P12-N94 PolarHBondContact O-OD1 2.72Å; S15-N94 PolarHBondContact OG-ND2 2.71Å; D16-N94 PolarHBondContact OD1-ND2 3.44Å; D16-N94 WeakPolarHBondContact OD2-CA 3.4Å; D16-N94 VanDerWaalsContact OD2-CB 3.26Å; D16-N94 WeakPolarHBondContact OD2-CB 3.39Å; K29-N94 PolarHBondContact NZ-OD1 2.84Å; A32-N94 WeakPolarHBondContact CB-O 3.3Å; N94-T96 VanDerWaalsContact C-N 3.26Å; N94-T96 PolarHBondContact O-N 2.68Å; N94-D97 PolarHBondContact N-OD2 3.27Å; N94-D97 VanDerWaalsContact O-CB 3.28Å; N94-D97 WeakPolarHBondContact O-CB 3.24Å; N94-D97 PolarHBondContact O-N 2.74Å
95K85.5Confident91.1Very high65 Ų6545.8 Ų45.828%0.28322%0.222SC..Hα-helixtrans-71.4-20.7-172.7-173.4159.9-174.8160.80113.4D16 P30 D97 E125 Y128D16-K95 PolarHBondContact OD2-N 3.14Å; D16-K95 VanDerWaalsContact OD2-N 3.14Å; P30-K95 HydrophobicContact CB-CB 4.38Å; P30-K95 HydrophobicContact CB-CD 4.42Å; K95-D97 VanDerWaalsContact C-N 3.3Å; K95-E125 WeakPolarHBondContact CE-OE1 3.34Å; K95-E125 IonicContact NZ-OE1 3.93Å; K95-E125 PolarHBondContact NZ-OE1 2.97Å; K95-E125 IonicContact NZ-OE2 3.98Å; K95-Y128 PolarHBondContact NZ-OH 3.45Å
96T87.8Confident91.2Very high83 Ų8347.4 Ų47.451%0.50923%0.23SC..Hα-helixtrans-65.6-33.4170.454.30000112N94 R99 R100N94-T96 VanDerWaalsContact C-N 3.26Å; N94-T96 PolarHBondContact O-N 2.68Å; T96-R99 PolarHBondContact O-N 3.04Å; T96-R100 PolarHBondContact O-N 3.25Å
97D90.4Very high91.1Very high22 Ų2249.3 Ų49.312%0.11824%0.244CC..Hα-helixtrans-66.7-38.6-180-54.1-28.2000111.7I69 L92 N94 K95 R99 R100 V101I69-D97 HydrophobicContact CG2-CB 3.93Å; L92-D97 HydrophobicContact CB-CB 4.38Å; L92-D97 HydrophobicContact CD1-CB 4.04Å; N94-D97 PolarHBondContact N-OD2 3.27Å; N94-D97 VanDerWaalsContact O-CB 3.28Å; N94-D97 WeakPolarHBondContact O-CB 3.24Å; N94-D97 PolarHBondContact O-N 2.74Å; K95-D97 VanDerWaalsContact C-N 3.3Å; D97-R99 VanDerWaalsContact C-N 3.27Å; D97-R99 PolarHBondContact O-N 2.64Å; D97-R100 PolarHBondContact O-N 3.05Å; D97-R100 VanDerWaalsContact O-N 3.08Å; D97-R100 IonicContact OD1-CZ 3.72Å; D97-R100 IonicContact OD1-NH1 3.96Å; D97-R100 PolarHBondContact OD1-NH1 2.76Å; D97-R100 IonicContact OD1-NH2 2.72Å; D97-R100 PolarHBondContact OD1-NH2 3.45Å; D97-V101 WeakPolarHBondContact O-CG2 3.31Å; D97-V101 PolarHBondContact O-N 3.26Å
98V91.4Very high91.1Very high1 Ų148.2 Ų48.21%0.00624%0.243CC..Hα-helixtrans-51-49.1175.1179.60000110.5A32 V34 L92 V101 V102 E125A32-V98 HydrophobicContact CB-CG2 3.72Å; V34-V98 HydrophobicContact CG2-CB 4.24Å; V34-V98 HydrophobicContact CG2-CG1 3.83Å; V34-V98 HydrophobicContact CG2-CG2 4.46Å; L92-V98 HydrophobicContact CD1-CG2 4.17Å; V98-V101 PolarHBondContact O-N 2.83Å; V98-V102 WeakPolarHBondContact O-CB 3.44Å; V98-V102 VanDerWaalsContact O-CG2 3.24Å; V98-V102 WeakPolarHBondContact O-CG2 3.34Å; V98-V102 PolarHBondContact O-N 3Å; V98-E125 HydrophobicContact CG1-CB 3.87Å; V98-E125 HydrophobicContact CG1-CG 3.8Å
99R91.9Very high91Very high176 Ų17653.7 Ų53.766%0.66427%0.267SS*.Hα-helixtrans-64.6-42.4179.1-64.8-178.1178.3171.7-0.5111.8T96 D97 T103T96-R99 PolarHBondContact O-N 3.04Å; D97-R99 VanDerWaalsContact C-N 3.27Å; D97-R99 PolarHBondContact O-N 2.64Å; R99-T103 WeakPolarHBondContact O-CB 3.45Å; R99-T103 PolarHBondContact O-N 2.94Å; R99-T103 PolarHBondContact O-OG1 3.14Å; R99-T103 VanDerWaalsContact O-OG1 3.06Å
100R92.5Very high91Very high113 Ų11353.2 Ų53.243%0.42626%0.263SS..Hα-helixtrans-63.1-48.9177.8-60.2-159.1-52.5-74.70.7111.3I69 T96 D97 V102 T103 S104I69-R100 HydrophobicContact CD1-CB 3.56Å; I69-R100 HydrophobicContact CD1-CG 4.48Å; T96-R100 PolarHBondContact O-N 3.25Å; D97-R100 PolarHBondContact O-N 3.05Å; D97-R100 VanDerWaalsContact O-N 3.08Å; D97-R100 IonicContact OD1-CZ 3.72Å; D97-R100 IonicContact OD1-NH1 3.96Å; D97-R100 PolarHBondContact OD1-NH1 2.76Å; D97-R100 IonicContact OD1-NH2 2.72Å; D97-R100 PolarHBondContact OD1-NH2 3.45Å; R100-V102 PolarHBondContact O-N 2.85Å; R100-T103 PolarHBondContact O-N 2.79Å; R100-S104 WeakPolarHBondContact O-CB 3.05Å; R100-S104 PolarHBondContact O-N 2.78Å; R100-S104 PolarHBondContact O-OG 3.28Å; R100-S104 VanDerWaalsContact O-OG 3.13Å
101V93.8Very high90.8Very high0 Ų059.1 Ų59.10%029%0.288CS..Hα-helixtrans-63-43179.3174.20000111.6V34 I69 L70 L92 D97 V98 S104 L105V34-V101 HydrophobicContact CG1-CG1 4.14Å; V34-V101 HydrophobicContact CG2-CB 4.27Å; V34-V101 HydrophobicContact CG2-CG1 4.18Å; I69-V101 HydrophobicContact CB-CG2 3.98Å; I69-V101 HydrophobicContact CD1-CG2 3.83Å; I69-V101 HydrophobicContact CG2-CG2 3.68Å; L70-V101 HydrophobicContact CD1-CG1 4.28Å; L70-V101 HydrophobicContact CD2-CG1 4.31Å; L70-V101 HydrophobicContact CD2-CG2 4.12Å; L70-V101 HydrophobicContact CG-CG2 4.41Å; L92-V101 HydrophobicContact CD1-CB 4.2Å; L92-V101 HydrophobicContact CD1-CG2 3.84Å; L92-V101 HydrophobicContact CD2-CG2 4.48Å; D97-V101 WeakPolarHBondContact O-CG2 3.31Å; D97-V101 PolarHBondContact O-N 3.26Å; V98-V101 PolarHBondContact O-N 2.83Å; V101-S104 PolarHBondContact O-N 2.8Å; V101-L105 HydrophobicContact CG1-CD1 3.64Å; V101-L105 HydrophobicContact CG1-CG 4.15Å; V101-L105 VanDerWaalsContact O-CB 3.3Å; V101-L105 WeakPolarHBondContact O-CB 3.45Å; V101-L105 WeakPolarHBondContact O-CG 3.26Å; V101-L105 PolarHBondContact O-N 2.79Å
102V94.9Very high90.6Very high32 Ų3258.1 Ų58.119%0.19428%0.283CS..Hα-helixtrans-59.5-51.1175.4166.40000110.9V34 V98 R100 S104 L105 E106 A123 S124V34-V102 HydrophobicContact CG1-CG2 4.15Å; V34-V102 HydrophobicContact CG2-CG2 4.27Å; V98-V102 WeakPolarHBondContact O-CB 3.44Å; V98-V102 VanDerWaalsContact O-CG2 3.24Å; V98-V102 WeakPolarHBondContact O-CG2 3.34Å; V98-V102 PolarHBondContact O-N 3Å; R100-V102 PolarHBondContact O-N 2.85Å; V102-S104 VanDerWaalsContact C-N 3.34Å; V102-S104 PolarHBondContact O-N 2.66Å; V102-L105 PolarHBondContact O-N 2.88Å; V102-E106 VanDerWaalsContact O-CB 3.27Å; V102-E106 WeakPolarHBondContact O-CB 3.47Å; V102-E106 PolarHBondContact O-N 2.9Å; V102-A123 HydrophobicContact CG2-CB 4.44Å; V102-S124 VanDerWaalsContact CG2-C 3.46Å
103T93.9Very high90.3Very high114 Ų11460 Ų6070%0.69930%0.298SS*.Hα-helixtrans-64.8-35178.8-580000112.9R99 R100R99-T103 WeakPolarHBondContact O-CB 3.45Å; R99-T103 PolarHBondContact O-N 2.94Å; R99-T103 PolarHBondContact O-OG1 3.14Å; R99-T103 VanDerWaalsContact O-OG1 3.06Å; R100-T103 PolarHBondContact O-N 2.79Å
104S93.1Very high90Very high50 Ų5058 Ų5835%0.3530%0.3SS..Hα-helixtrans-73.7-30.1177.7-69.50000113.9R100 V101 V102 Q108R100-S104 WeakPolarHBondContact O-CB 3.05Å; R100-S104 PolarHBondContact O-N 2.78Å; R100-S104 PolarHBondContact O-OG 3.28Å; R100-S104 VanDerWaalsContact O-OG 3.13Å; V101-S104 PolarHBondContact O-N 2.8Å; V102-S104 VanDerWaalsContact C-N 3.34Å; V102-S104 PolarHBondContact O-N 2.66Å; S104-Q108 WeakPolarHBondContact O-CG 3.39Å
105L94.4Very high89.5Confident0 Ų057.6 Ų57.60%030%0.297CS..Hα-helixtrans-103.3-20.8-173.8-66.2-173.9000114.9I36 I62 L65 L70 V101 V102 S107 Q108 V121 A123I36-L105 HydrophobicContact CD1-CD1 3.47Å; I36-L105 VanDerWaalsContact CD1-CD1 3.47Å; I36-L105 HydrophobicContact CG1-CD1 3.99Å; I36-L105 HydrophobicContact CG2-CD1 4.34Å; I62-L105 HydrophobicContact CG2-CD1 3.92Å; I62-L105 HydrophobicContact CG2-CD2 4.35Å; L65-L105 HydrophobicContact CB-CD2 3.45Å; L65-L105 VanDerWaalsContact CB-CD2 3.45Å; L65-L105 HydrophobicContact CD1-CD2 3.73Å; L65-L105 HydrophobicContact CG-CD2 4.26Å; L70-L105 HydrophobicContact CD1-CD1 4.07Å; V101-L105 HydrophobicContact CG1-CD1 3.64Å; V101-L105 HydrophobicContact CG1-CG 4.15Å; V101-L105 VanDerWaalsContact O-CB 3.3Å; V101-L105 WeakPolarHBondContact O-CB 3.45Å; V101-L105 WeakPolarHBondContact O-CG 3.26Å; V101-L105 PolarHBondContact O-N 2.79Å; V102-L105 PolarHBondContact O-N 2.88Å; L105-S107 PolarHBondContact O-N 3.26Å; L105-Q108 WeakPolarHBondContact O-CB 3.28Å; L105-Q108 PolarHBondContact O-N 3.21Å; L105-V121 HydrophobicContact CB-CG1 4.29Å; L105-A123 HydrophobicContact CB-CB 3.68Å; L105-A123 HydrophobicContact CD1-CB 4.44Å
106E93Very high89Confident71 Ų7158.1 Ų58.133%0.33231%0.307SS..THydrogen-bonded Turntrans-64.1126.3-175.2178.443.9-129.900111.5V102 Q108 R122 A123V102-E106 VanDerWaalsContact O-CB 3.27Å; V102-E106 WeakPolarHBondContact O-CB 3.47Å; V102-E106 PolarHBondContact O-N 2.9Å; E106-Q108 PolarHBondContact O-N 2.82Å; E106-Q108 VanDerWaalsContact O-N 3.15Å; E106-R122 WeakPolarHBondContact OE2-CA 3.41Å; E106-R122 VanDerWaalsContact OE2-CB 3.24Å; E106-R122 WeakPolarHBondContact OE2-CB 3.38Å; E106-A123 PolarHBondContact OE2-N 3.43Å
107S90.4Very high88.6Confident43 Ų4359.4 Ų59.430%0.30131%0.307SS..THydrogen-bonded Turntrans5722-177.7-69.40000115.4L105 R120 V121L105-S107 PolarHBondContact O-N 3.26Å; S107-R120 PolarHBondContact OG-NE 3.34Å; S107-R120 PolarHBondContact OG-NH2 3.09Å; S107-V121 VanDerWaalsContact CA-O 3.22Å; S107-V121 WeakPolarHBondContact CA-O 3.21Å; S107-V121 PolarHBondContact N-O 2.92Å
108Q94Very high88.4Confident81 Ų8162.3 Ų62.338%0.37932%0.323SS..  trans-71.7170.5167.1-67.4-57.1-29.200112.4L65 S104 L105 E106 V121L65-Q108 HydrophobicContact CD1-CB 3.82Å; L65-Q108 HydrophobicContact CD1-CG 4.37Å; S104-Q108 WeakPolarHBondContact O-CG 3.39Å; L105-Q108 WeakPolarHBondContact O-CB 3.28Å; L105-Q108 PolarHBondContact O-N 3.21Å; E106-Q108 PolarHBondContact O-N 2.82Å; E106-Q108 VanDerWaalsContact O-N 3.15Å; Q108-V121 HydrophobicContact CB-CB 4.38Å; Q108-V121 PolarHBondContact O-N 2.97Å
109F92.9Very high88.3Confident115 Ų11562.3 Ų62.350%0.50432%0.323SS..EExtended strand (participates in β ladder)trans-129.5135.5178.7-71.6-87.5000111.4N118 L119 R120F109-N118 HydrophobicContact CB-CB 4.14Å; F109-N118 HydrophobicContact CD1-CB 3.97Å; F109-N118 HydrophobicContact CG-CB 4.43Å; F109-L119 CarbonylContact C-O 3.4Å; F109-L119 WeakPolarHBondContact CA-O 3.34Å; F109-R120 HydrophobicContact CD1-CB 4.17Å; F109-R120 HydrophobicContact CE1-CB 3.79Å; F109-R120 HydrophobicContact CE1-CG 4.17Å; F109-R120 HydrophobicContact CZ-CB 4.39Å; F109-R120 HydrophobicContact CZ-CG 4.28Å
110I92Very high88.4Confident5 Ų558.4 Ų58.43%0.02631%0.308CS..EExtended strand (participates in β ladder)trans-115.5142.6172.461.8175.7000111.1V38 I58 K61 L65 L112 L119 V121V38-I110 HydrophobicContact CG1-CD1 4.01Å; V38-I110 HydrophobicContact CG2-CD1 4.37Å; I58-I110 HydrophobicContact CG2-CD1 4.13Å; K61-I110 HydrophobicContact CB-CB 3.96Å; K61-I110 HydrophobicContact CB-CD1 4.01Å; K61-I110 HydrophobicContact CB-CG2 3.95Å; L65-I110 HydrophobicContact CD1-CG2 3.63Å; L65-I110 HydrophobicContact CG-CG2 4.26Å; I110-L112 HydrophobicContact CD1-CD2 4.35Å; I110-L119 HydrophobicContact CG1-CB 3.89Å; I110-L119 PolarHBondContact N-O 2.88Å; I110-L119 PolarHBondContact O-N 2.77Å; I110-V121 HydrophobicContact CD1-CG2 4.35Å; I110-V121 HydrophobicContact CG1-CG2 4.14Å; I110-V121 HydrophobicContact CG2-CG2 3.86Å
111K88.9Confident88.5Confident124 Ų12453 Ų5354%0.53929%0.288SS..  trans-108122.2173.1-172.7167.7-177169.70110.1K61K61-K111 WeakPolarHBondContact CE-O 3.23Å
112L86.5Confident88.6Confident7 Ų757.6 Ų57.64%0.03731%0.305CS..  trans-89.8164.4176-61.8-167.8000111.5F53 E57 I58 K61 I110 G114 F115 L119F53-L112 HydrophobicContact CB-CD1 3.65Å; F53-L112 HydrophobicContact CD1-CD1 4.44Å; F53-L112 HydrophobicContact CD2-CD1 4.4Å; F53-L112 HydrophobicContact CG-CD1 3.9Å; E57-L112 HydrophobicContact CB-CD2 4.48Å; I58-L112 HydrophobicContact CD1-CD1 4.35Å; I58-L112 HydrophobicContact CG1-CD1 3.89Å; I58-L112 HydrophobicContact CG1-CD2 4.09Å; K61-L112 HydrophobicContact CG-CD2 4.07Å; I110-L112 HydrophobicContact CD1-CD2 4.35Å; L112-G114 PolarHBondContact O-N 2.93Å; L112-F115 HydrophobicContact CB-CD2 3.58Å; L112-F115 HydrophobicContact CB-CE2 4.17Å; L112-F115 HydrophobicContact CB-CG 4.48Å; L112-F115 HydrophobicContact CD1-CD2 4.49Å; L112-L119 HydrophobicContact CD1-CD1 3.53Å; L112-L119 HydrophobicContact CG-CD1 3.81Å; L112-L119 HydrophobicContact CG-CG 4.48Å
113S81Confident88.6Confident60 Ų6056.5 Ų56.542%0.4230%0.3SS..THydrogen-bonded Turntrans-69124.2-178.275.70000110.4K51 E57 F115K51-S113 PolarHBondContact NZ-O 3.4Å; K51-S113 PolarHBondContact NZ-OG 2.89Å; E57-S113 PolarHBondContact OE1-OG 3.06Å; S113-F115 WeakPolarHBondContact O-CD2 3.12Å; S113-F115 WeakPolarHBondContact O-CE2 3.49Å; S113-F115 PolarHBondContact O-N 2.76Å
114G76Confident88.6Confident42 Ų4253.8 Ų53.843%0.43329%0.285SS..THydrogen-bonded Turntrans60.838.5178.200000114.9L112L112-G114 PolarHBondContact O-N 2.93Å
115F74.8Confident88.6Confident6 Ų654.7 Ų54.73%0.02628%0.284CS..  trans-125.6134.9163.2-63.1-84000108.7L43 K51 F53 L112 S113L43-F115 HydrophobicContact CB-CD1 3.84Å; L43-F115 HydrophobicContact CB-CE1 3.64Å; L43-F115 HydrophobicContact CD1-CD1 3.89Å; L43-F115 HydrophobicContact CD1-CE1 3.63Å; L43-F115 HydrophobicContact CD1-CZ 4.07Å; L43-F115 HydrophobicContact CD2-CD1 4.24Å; L43-F115 HydrophobicContact CG-CD1 4.21Å; L43-F115 HydrophobicContact CG-CE1 4.18Å; K51-F115 HydrophobicContact CB-CE1 3.73Å; K51-F115 HydrophobicContact CB-CZ 3.75Å; K51-F115 HydrophobicContact CD-CE1 4.48Å; K51-F115 HydrophobicContact CD-CE2 4.06Å; K51-F115 HydrophobicContact CD-CZ 3.97Å; K51-F115 HydrophobicContact CG-CE1 4.28Å; K51-F115 HydrophobicContact CG-CE2 4.35Å; K51-F115 HydrophobicContact CG-CZ 3.8Å; K51-F115 VanDerWaalsContact O-CE1 3.27Å; K51-F115 WeakPolarHBondContact O-CE1 3.3Å; K51-F115 VanDerWaalsContact O-CZ 3.26Å; K51-F115 WeakPolarHBondContact O-CZ 3.32Å; F53-F115 HydrophobicContact CB-CE2 3.96Å; F53-F115 HydrophobicContact CB-CZ 4.17Å; F53-F115 HydrophobicContact CD1-CZ 4.35Å; L112-F115 HydrophobicContact CB-CD2 3.58Å; L112-F115 HydrophobicContact CB-CE2 4.17Å; L112-F115 HydrophobicContact CB-CG 4.48Å; L112-F115 HydrophobicContact CD1-CD2 4.49Å; S113-F115 WeakPolarHBondContact O-CD2 3.12Å; S113-F115 WeakPolarHBondContact O-CE2 3.49Å; S113-F115 PolarHBondContact O-N 2.76Å
116P74.6Confident88.4Confident75 Ų7555.2 Ų55.249%0.48729%0.288SS..SBendtrans-75.4-32.3-17728.4-33.8000112.4
117Q80.1Confident88Confident110 Ų11057.5 Ų57.551%0.51431%0.309SS..SBendtrans-90.5138.3-174.6-167168.21200112.2P41P41-Q117 HydrophobicContact CG-CG 4.3Å
118N87.2Confident87.6Confident84 Ų8458.2 Ų58.245%0.44931%0.306SS..PPolyproline II helixtrans-76.8131.6172.1-65.8-21.2000110.3F109F109-N118 HydrophobicContact CB-CB 4.14Å; F109-N118 HydrophobicContact CD1-CB 3.97Å; F109-N118 HydrophobicContact CG-CB 4.43Å
119L89Confident87.1Confident1 Ų160 Ų601%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-84.1129.9177.1-51.4-172.5000110V38 Q39 I40 P41 L43 F109 I110 L112V38-L119 HydrophobicContact CG1-CB 3.86Å; V38-L119 HydrophobicContact CG1-CD1 3.95Å; Q39-L119 WeakPolarHBondContact O-CB 3.45Å; I40-L119 HydrophobicContact CG1-CD1 4.31Å; P41-L119 HydrophobicContact CG-CD2 4.46Å; L43-L119 HydrophobicContact CD2-CD2 3.99Å; F109-L119 CarbonylContact C-O 3.4Å; F109-L119 WeakPolarHBondContact CA-O 3.34Å; I110-L119 HydrophobicContact CG1-CB 3.89Å; I110-L119 PolarHBondContact N-O 2.88Å; I110-L119 PolarHBondContact O-N 2.77Å; L112-L119 HydrophobicContact CD1-CD1 3.53Å; L112-L119 HydrophobicContact CG-CD1 3.81Å; L112-L119 HydrophobicContact CG-CG 4.48Å
120R92.8Very high86.8Confident93 Ų9355.3 Ų55.335%0.35130%0.299SS..EExtended strand (participates in β ladder)trans-79.1129.3177.1-175.3174.9175.5-1713.7110.7Q39 S107 F109Q39-R120 HydrophobicContact CB-CB 4.45Å; Q39-R120 PolarHBondContact N-O 2.97Å; S107-R120 PolarHBondContact OG-NE 3.34Å; S107-R120 PolarHBondContact OG-NH2 3.09Å; F109-R120 HydrophobicContact CD1-CB 4.17Å; F109-R120 HydrophobicContact CE1-CB 3.79Å; F109-R120 HydrophobicContact CE1-CG 4.17Å; F109-R120 HydrophobicContact CZ-CB 4.39Å; F109-R120 HydrophobicContact CZ-CG 4.28Å
121V95.3Very high86.8Confident0 Ų055.9 Ų55.90%030%0.303CS..EExtended strand (participates in β ladder)trans-95141.5170.5-171.40000108.8I36 T37 V38 L65 L105 S107 Q108 I110I36-V121 HydrophobicContact CG2-CG1 3.64Å; T37-V121 CarbonylContact O-C 3.59Å; V38-V121 HydrophobicContact CG2-CG2 4.33Å; L65-V121 HydrophobicContact CD1-CG2 4.3Å; L105-V121 HydrophobicContact CB-CG1 4.29Å; S107-V121 VanDerWaalsContact CA-O 3.22Å; S107-V121 WeakPolarHBondContact CA-O 3.21Å; S107-V121 PolarHBondContact N-O 2.92Å; Q108-V121 HydrophobicContact CB-CB 4.38Å; Q108-V121 PolarHBondContact O-N 2.97Å; I110-V121 HydrophobicContact CD1-CG2 4.35Å; I110-V121 HydrophobicContact CG1-CG2 4.14Å; I110-V121 HydrophobicContact CG2-CG2 3.86Å
122R95.2Very high87Confident97 Ų9756.5 Ų56.537%0.36630%0.302SS..EExtended strand (participates in β ladder)trans-131.3147.4165.7-65.4-167.6-58.7-150.6-0.7109.6I36 T37 E106I36-R122 CarbonylContact C-O 3.55Å; I36-R122 WeakPolarHBondContact CA-O 3.2Å; T37-R122 PolarHBondContact N-O 3.33Å; T37-R122 PolarHBondContact O-N 3.24Å; E106-R122 WeakPolarHBondContact OE2-CA 3.41Å; E106-R122 VanDerWaalsContact OE2-CB 3.24Å; E106-R122 WeakPolarHBondContact OE2-CB 3.38Å
123A95.7Very high87.3Confident9 Ų961.8 Ų61.87%0.07432%0.321CS..EExtended strand (participates in β ladder)trans-138.9138.2-177.800000111.7V34 C35 V102 L105 E106V34-A123 HydrophobicContact CG1-CB 4.29Å; C35-A123 WeakPolarHBondContact O-CA 2.99Å; V102-A123 HydrophobicContact CG2-CB 4.44Å; L105-A123 HydrophobicContact CB-CB 3.68Å; L105-A123 HydrophobicContact CD1-CB 4.44Å; E106-A123 PolarHBondContact OE2-N 3.43Å
124S94.6Very high88Confident57 Ų5764.6 Ų64.640%0.39933%0.328SS..EExtended strand (participates in β ladder)trans-137.4158.8173.476.70000111V34 C35 V102 A126V34-S124 CarbonylContact C-O 3.57Å; V34-S124 WeakPolarHBondContact CA-O 3.08Å; V34-S124 WeakPolarHBondContact CG1-O 3.19Å; C35-S124 PolarHBondContact N-O 3.46Å; C35-S124 PolarHBondContact O-N 3.06Å; V102-S124 VanDerWaalsContact CG2-C 3.46Å; S124-A126 PolarHBondContact O-N 3.41Å
125E93Very high88.9Confident69 Ų6965 Ų6532%0.32232%0.32SS..EExtended strand (participates in β ladder)trans-56.6137.3158.8-175.1163.1177.700108K95 V98 Y128K95-E125 WeakPolarHBondContact CE-OE1 3.34Å; K95-E125 IonicContact NZ-OE1 3.93Å; K95-E125 PolarHBondContact NZ-OE1 2.97Å; K95-E125 IonicContact NZ-OE2 3.98Å; V98-E125 HydrophobicContact CG1-CB 3.87Å; V98-E125 HydrophobicContact CG1-CG 3.8Å; E125-Y128 PolarHBondContact OE1-OH 3.22Å
126A88.7Confident89.8Confident11 Ų1164.8 Ų64.89%0.09132%0.319CS..PPolyproline II helixtrans-75.8136.7-178.100000110.1R33 C35 S124R33-A126 HydrophobicContact CB-CB 3.97Å; R33-A126 HydrophobicContact CG-CB 3.65Å; R33-A126 WeakPolarHBondContact O-CB 3.08Å; R33-A126 PolarHBondContact O-N 3.41Å; C35-A126 HydrophobicContact CB-CB 4.39Å; S124-A126 PolarHBondContact O-N 3.41Å
127P85.3Confident90.7Very high118 Ų11864.4 Ų64.477%0.76631%0.311SS*.PPolyproline II helixtrans-64.3140.1174.228.3-34.3000110.3
128Y82.2Confident91.4Very high58 Ų5860 Ų6023%0.22729%0.294CS..PPolyproline II helixtrans-76.9135.1174.5-47.5-41000110.3K95 E125 C130 R350K95-Y128 PolarHBondContact NZ-OH 3.45Å; E125-Y128 PolarHBondContact OE1-OH 3.22Å; Y128-C130 PolarHBondContact O-N 3.14Å; Y128-R350 HydrophobicContact CD2-CG 4.15Å
129D82.5Confident91.7Very high119 Ų11959 Ų5964%0.63629%0.285SS*.SBendtrans-77.164.2174-169.630.9000110.2K381D129-K381 WeakPolarHBondContact OD2-CE 3.37Å; D129-K381 IonicContact OD2-NZ 2.9Å; D129-K381 PolarHBondContact OD2-NZ 3.45Å
130C87.1Confident92Very high16 Ų1659.5 Ų59.511%0.10829%0.287CS..SBendtrans-159.9132.3-173.9178.10000108.6Y128 R350 I382Y128-C130 PolarHBondContact O-N 3.14Å; C130-R350 HydrophobicContact CB-CG 3.95Å; C130-R350 PolarHBondContact O-NE 2.83Å; C130-R350 PolarHBondContact O-NH2 3.29Å; C130-R350 VanDerWaalsContact SG-CG 3.55Å; C130-I382 PolarHBondContact SG-O 3.44Å
131P92.7Very high92Very high17 Ų1761.8 Ų61.811%0.1130%0.296CS..  trans-61.5156.9-179.128.1-37.8000112.5D135 W136 M346 R350 D383 F384P131-D135 HydrophobicContact CB-CB 4.14Å; P131-W136 HydrophobicContact CB-CE3 4.43Å; P131-W136 HydrophobicContact CG-CE3 4.47Å; P131-M346 HydrophobicContact CG-CE 3.69Å; P131-R350 VanDerWaalsContact O-CD 3.29Å; P131-R350 WeakPolarHBondContact O-CD 3.5Å; P131-R350 PolarHBondContact O-NE 3.5Å; P131-D383 WeakPolarHBondContact CG-OD1 3.5Å; P131-F384 HydrophobicContact CB-CD1 4.1Å; P131-F384 HydrophobicContact CB-CE1 3.89Å; P131-F384 HydrophobicContact CG-CD1 3.73Å; P131-F384 HydrophobicContact CG-CE1 4.02Å
132R92.3Very high91.9Very high138 Ų13866.6 Ų66.652%0.52132%0.322SS..  trans-97.2166.2169.8-56.9170.3-63.2172.88.5109.9H134 D135 W136R132-H134 VanDerWaalsContact C-N 3.33Å; R132-H134 PolarHBondContact O-N 3.25Å; R132-D135 WeakPolarHBondContact CA-OD2 3.35Å; R132-D135 VanDerWaalsContact CB-OD2 3.3Å; R132-D135 WeakPolarHBondContact CB-OD2 3.41Å; R132-D135 IonicContact CZ-OD1 3.11Å; R132-D135 PolarHBondContact N-OD2 2.7Å; R132-D135 IonicContact NE-OD1 2.64Å; R132-D135 PolarHBondContact NE-OD1 3.3Å; R132-D135 IonicContact NE-OD2 3.75Å; R132-D135 PolarHBondContact NE-OD2 2.68Å; R132-D135 IonicContact NH2-OD1 2.72Å; R132-D135 PolarHBondContact NH2-OD1 2.86Å; R132-D135 IonicContact NH2-OD2 2.69Å; R132-D135 WeakPolarHBondContact O-CA 3.29Å; R132-D135 WeakPolarHBondContact O-CB 3.34Å; R132-D135 PolarHBondContact O-N 2.97Å; R132-W136 VanDerWaalsContact C-CE3 3.42Å; R132-W136 PolarHBondContact O-N 3.17Å
133R94.2Very high91.7Very high117 Ų11763.2 Ų63.244%0.44232%0.315SS..Hα-helixtrans-49.4-47178.3-178.8169.8170.9153.46.8115D135 W136 E137R133-D135 PolarHBondContact O-N 3.13Å; R133-W136 VanDerWaalsContact CA-CZ2 3.48Å; R133-W136 HydrophobicContact CB-CH2 3.91Å; R133-W136 HydrophobicContact CB-CZ2 3.69Å; R133-W136 HydrophobicContact CB-CZ3 4.49Å; R133-W136 HydrophobicContact CG-CZ2 3.88Å; R133-W136 PolarHBondContact O-N 3.4Å; R133-E137 HydrophobicContact CG-CG 4.21Å; R133-E137 WeakPolarHBondContact CG-OE2 3.44Å; R133-E137 IonicContact CZ-OE1 3.32Å; R133-E137 VanDerWaalsContact NE-CD 3.32Å; R133-E137 IonicContact NE-OE1 2.76Å; R133-E137 PolarHBondContact NE-OE1 2.93Å; R133-E137 IonicContact NE-OE2 2.74Å; R133-E137 PolarHBondContact NE-OE2 2.81Å; R133-E137 IonicContact NH2-OE1 3.82Å; R133-E137 PolarHBondContact NH2-OE1 3.46Å; R133-E137 WeakPolarHBondContact O-CB 3.42Å; R133-E137 WeakPolarHBondContact O-CG 3.29Å; R133-E137 PolarHBondContact O-N 2.81Å
134H94.6Very high91.4Very high119 Ų11972 Ų7255%0.55135%0.354SS*.Hα-helixtrans-57.8-34.8174.6176.974.8000113.2R132 A138R132-H134 VanDerWaalsContact C-N 3.33Å; R132-H134 PolarHBondContact O-N 3.25Å; H134-A138 WeakPolarHBondContact O-CB 3.45Å; H134-A138 PolarHBondContact O-N 3.25Å
135D94.6Very high91.1Very high52 Ų5275.7 Ų75.728%0.27837%0.369SS..Hα-helixtrans-75.1-30.7-171.8-43.7-30.9000110.9P131 R132 R133 F139P131-D135 HydrophobicContact CB-CB 4.14Å; R132-D135 WeakPolarHBondContact CA-OD2 3.35Å; R132-D135 VanDerWaalsContact CB-OD2 3.3Å; R132-D135 WeakPolarHBondContact CB-OD2 3.41Å; R132-D135 IonicContact CZ-OD1 3.11Å; R132-D135 PolarHBondContact N-OD2 2.7Å; R132-D135 IonicContact NE-OD1 2.64Å; R132-D135 PolarHBondContact NE-OD1 3.3Å; R132-D135 IonicContact NE-OD2 3.75Å; R132-D135 PolarHBondContact NE-OD2 2.68Å; R132-D135 IonicContact NH2-OD1 2.72Å; R132-D135 PolarHBondContact NH2-OD1 2.86Å; R132-D135 IonicContact NH2-OD2 2.69Å; R132-D135 WeakPolarHBondContact O-CA 3.29Å; R132-D135 WeakPolarHBondContact O-CB 3.34Å; R132-D135 PolarHBondContact O-N 2.97Å; R133-D135 PolarHBondContact O-N 3.13Å; D135-F139 PolarHBondContact O-N 2.94Å
136W94.1Very high90.9Very high0 Ų074 Ų740%036%0.362CS..Hα-helixtrans-85.5-41.4170.268.174.5000113.3P131 R132 R133 A138 F139 F140 Y339 F342 M346 F384P131-W136 HydrophobicContact CB-CE3 4.43Å; P131-W136 HydrophobicContact CG-CE3 4.47Å; R132-W136 VanDerWaalsContact C-CE3 3.42Å; R132-W136 PolarHBondContact O-N 3.17Å; R133-W136 VanDerWaalsContact CA-CZ2 3.48Å; R133-W136 HydrophobicContact CB-CH2 3.91Å; R133-W136 HydrophobicContact CB-CZ2 3.69Å; R133-W136 HydrophobicContact CB-CZ3 4.49Å; R133-W136 HydrophobicContact CG-CZ2 3.88Å; R133-W136 PolarHBondContact O-N 3.4Å; W136-A138 PolarHBondContact O-N 3.12Å; W136-F139 PolarHBondContact O-N 3.48Å; W136-F139 VanDerWaalsContact O-N 3.14Å; W136-F140 WeakPolarHBondContact O-CD2 3.38Å; W136-F140 PolarHBondContact O-N 3.42Å; W136-F140 VanDerWaalsContact O-N 3.13Å; W136-Y339 AromaticContact NE1-CE2 3.67Å; W136-Y339 AromaticContact NE1-CZ 3.85Å; W136-Y339 PolarHBondContact NE1-OH 3.24Å; W136-F342 AromaticContact CD1-CE1 3.89Å; W136-F342 HydrophobicContact CD2-CE1 4.12Å; W136-F342 HydrophobicContact CD2-CZ 4.46Å; W136-F342 AromaticContact CE2-CE1 3.84Å; W136-F342 HydrophobicContact CG-CE1 4.14Å; W136-F342 HydrophobicContact CG-CZ 4.44Å; W136-F342 HydrophobicContact CZ2-CE1 4.4Å; W136-F342 AromaticContact NE1-CE1 3.74Å; W136-M346 HydrophobicContact CD2-CE 4.2Å; W136-M346 HydrophobicContact CE3-CE 3.39Å; W136-M346 HydrophobicContact CH2-CB 3.44Å; W136-M346 VanDerWaalsContact CH2-CB 3.44Å; W136-M346 HydrophobicContact CH2-CE 4.29Å; W136-M346 HydrophobicContact CH2-CG 4.02Å; W136-M346 HydrophobicContact CZ2-CB 4.07Å; W136-M346 HydrophobicContact CZ2-CG 4.38Å; W136-M346 HydrophobicContact CZ3-CB 3.82Å; W136-M346 HydrophobicContact CZ3-CE 3.46Å; W136-M346 VanDerWaalsContact CZ3-CE 3.46Å; W136-M346 HydrophobicContact CZ3-CG 4.13Å; W136-F384 HydrophobicContact CB-CD1 3.52Å; W136-F384 HydrophobicContact CB-CD2 4.21Å; W136-F384 HydrophobicContact CB-CE1 3.57Å; W136-F384 HydrophobicContact CB-CE2 4.26Å; W136-F384 HydrophobicContact CB-CG 3.85Å; W136-F384 HydrophobicContact CB-CZ 3.95Å
137E93.7Very high91Very high68 Ų6876.2 Ų76.232%0.31837%0.372SS..Hα-helixtrans-63.1-24175-72179.4157.200112.3R133 R141 Y339R133-E137 HydrophobicContact CG-CG 4.21Å; R133-E137 WeakPolarHBondContact CG-OE2 3.44Å; R133-E137 IonicContact CZ-OE1 3.32Å; R133-E137 VanDerWaalsContact NE-CD 3.32Å; R133-E137 IonicContact NE-OE1 2.76Å; R133-E137 PolarHBondContact NE-OE1 2.93Å; R133-E137 IonicContact NE-OE2 2.74Å; R133-E137 PolarHBondContact NE-OE2 2.81Å; R133-E137 IonicContact NH2-OE1 3.82Å; R133-E137 PolarHBondContact NH2-OE1 3.46Å; R133-E137 WeakPolarHBondContact O-CB 3.42Å; R133-E137 WeakPolarHBondContact O-CG 3.29Å; R133-E137 PolarHBondContact O-N 2.81Å; E137-R141 VanDerWaalsContact O-CB 3.29Å; E137-R141 WeakPolarHBondContact O-CB 3.1Å; E137-R141 PolarHBondContact O-NH1 3.07Å; E137-Y339 PolarHBondContact OE1-OH 2.99Å
138A94.5Very high91.2Very high18 Ų1876.4 Ų76.415%0.14936%0.363CS..Hα-helixtrans-75.4-49.1168.300000112.7H134 W136 F140 R141 D142H134-A138 WeakPolarHBondContact O-CB 3.45Å; H134-A138 PolarHBondContact O-N 3.25Å; W136-A138 PolarHBondContact O-N 3.12Å; A138-F140 PolarHBondContact O-N 3.47Å; A138-R141 PolarHBondContact O-N 3.11Å; A138-D142 WeakPolarHBondContact O-CB 3.34Å; A138-D142 VanDerWaalsContact O-CG 3.24Å; A138-D142 PolarHBondContact O-N 3.42Å
139F94.7Very high91.5Very high61 Ų6179.2 Ų79.227%0.26839%0.386SS..Hα-helixtrans-55.7-51.6-178.5175.9-93.5000112.6D135 W136 D142 A143 M146 F384 R386D135-F139 PolarHBondContact O-N 2.94Å; W136-F139 PolarHBondContact O-N 3.48Å; W136-F139 VanDerWaalsContact O-N 3.14Å; F139-D142 PolarHBondContact O-N 3.4Å; F139-A143 WeakPolarHBondContact O-CB 3.48Å; F139-A143 PolarHBondContact O-N 2.84Å; F139-M146 HydrophobicContact CE1-CE 4.29Å; F139-F384 HydrophobicContact CB-CE2 3.69Å; F139-F384 HydrophobicContact CB-CZ 3.77Å; F139-F384 HydrophobicContact CD1-CD2 4.33Å; F139-F384 AromaticContact CD1-CE2 3.57Å; F139-F384 HydrophobicContact CD1-CE2 3.57Å; F139-F384 HydrophobicContact CD1-CZ 4.49Å; F139-F384 HydrophobicContact CD2-CE2 4.36Å; F139-F384 HydrophobicContact CE1-CE2 4.3Å; F139-F384 AromaticContact CG-CE2 3.6Å; F139-F384 HydrophobicContact CG-CE2 3.6Å; F139-F384 HydrophobicContact CG-CZ 4.11Å; F139-R386 HydrophobicContact CD1-CG 4.42Å; F139-R386 HydrophobicContact CD2-CG 4.42Å; F139-R386 HydrophobicContact CE1-CB 4.07Å; F139-R386 HydrophobicContact CE1-CG 3.96Å; F139-R386 HydrophobicContact CE2-CB 4.09Å; F139-R386 HydrophobicContact CE2-CG 3.97Å; F139-R386 HydrophobicContact CZ-CB 3.57Å; F139-R386 HydrophobicContact CZ-CG 3.73Å
140F93.6Very high92Very high12 Ų1276.9 Ų76.95%0.05337%0.37CS..Hα-helixtrans-69.1-37.8-175.9-71.8-76.2000112.8W136 A138 M146 E153 R154 P155 F384 D385W136-F140 WeakPolarHBondContact O-CD2 3.38Å; W136-F140 PolarHBondContact O-N 3.42Å; W136-F140 VanDerWaalsContact O-N 3.13Å; A138-F140 PolarHBondContact O-N 3.47Å; F140-M146 HydrophobicContact CD1-CE 4.06Å; F140-M146 HydrophobicContact CE1-CE 3.63Å; F140-E153 WeakPolarHBondContact CD1-O 3.01Å; F140-R154 WeakPolarHBondContact CE1-O 3.42Å; F140-R154 VanDerWaalsContact CZ-C 3.48Å; F140-R154 WeakPolarHBondContact CZ-O 3.47Å; F140-P155 HydrophobicContact CD2-CB 3.74Å; F140-P155 HydrophobicContact CD2-CG 4.07Å; F140-P155 HydrophobicContact CE2-CB 3.74Å; F140-P155 HydrophobicContact CE2-CG 4.49Å; F140-P155 HydrophobicContact CG-CG 4.49Å; F140-F384 AromaticContact CE2-CD2 3.73Å; F140-F384 HydrophobicContact CE2-CD2 3.73Å; F140-F384 HydrophobicContact CE2-CE2 4.22Å; F140-F384 HydrophobicContact CE2-CG 4.45Å; F140-F384 HydrophobicContact CZ-CD2 4.12Å; F140-D385 VanDerWaalsContact CZ-O 3.32Å; F140-D385 WeakPolarHBondContact CZ-O 3.41Å
141R92.7Very high92.4Very high141 Ų14177.1 Ų77.153%0.53237%0.372SS..Hα-helixtrans-65.3-40176.2-178.5-164.764.2-114.6-3.9112.9E137 A138E137-R141 VanDerWaalsContact O-CB 3.29Å; E137-R141 WeakPolarHBondContact O-CB 3.1Å; E137-R141 PolarHBondContact O-NH1 3.07Å; A138-R141 PolarHBondContact O-N 3.11Å
142D93.6Very high92.4Very high102 Ų10276.4 Ų76.455%0.54537%0.368SS..Hα-helixtrans-92.1-7.6-172.7-57-22.2000112.6A138 F139 Q144A138-D142 WeakPolarHBondContact O-CB 3.34Å; A138-D142 VanDerWaalsContact O-CG 3.24Å; A138-D142 PolarHBondContact O-N 3.42Å; F139-D142 PolarHBondContact O-N 3.4Å; D142-Q144 PolarHBondContact O-N 3.07Å
143A91.9Very high92.5Very high26 Ų2670 Ų7022%0.21534%0.343CS..  trans-85.799.5-176.400000113.2F139 N145 M146F139-A143 WeakPolarHBondContact O-CB 3.48Å; F139-A143 PolarHBondContact O-N 2.84Å; A143-N145 PolarHBondContact O-N 2.8Å; A143-M146 HydrophobicContact CB-CB 4.16Å; A143-M146 HydrophobicContact CB-CG 3.54Å; A143-M146 PolarHBondContact O-N 2.9Å; A143-M146 VanDerWaalsContact O-N 3.12Å
144Q88.8Confident92.5Very high193 Ų19367.3 Ų67.390%0.90233%0.333SS*.THydrogen-bonded Turntrans-51.8-21.6178.8-62.2178.5-5.200116D142D142-Q144 PolarHBondContact O-N 3.07Å
145N88.6Confident92.6Very high134 Ų13462.7 Ų62.772%0.71731%0.314SS*.THydrogen-bonded Turntrans-10310.4-174.5-69.7-17000113.7A143 K388A143-N145 PolarHBondContact O-N 2.8Å; N145-K388 WeakPolarHBondContact O-CE 3.28Å; N145-K388 PolarHBondContact O-NZ 3.42Å
146M89Confident92.7Very high34 Ų3460.3 Ų60.317%0.16730%0.301CS..  trans-118.2136.5-174.6-56.5-65.3-80.600111.1F139 F140 A143 E153 K388F139-M146 HydrophobicContact CE1-CE 4.29Å; F140-M146 HydrophobicContact CD1-CE 4.06Å; F140-M146 HydrophobicContact CE1-CE 3.63Å; A143-M146 HydrophobicContact CB-CB 4.16Å; A143-M146 HydrophobicContact CB-CG 3.54Å; A143-M146 PolarHBondContact O-N 2.9Å; A143-M146 VanDerWaalsContact O-N 3.12Å; M146-E153 HydrophobicContact CE-CB 4.37Å; M146-K388 HydrophobicContact CE-CG 3.98Å; M146-K388 HydrophobicContact SD-CD 4.21Å; M146-K388 WeakPolarHBondContact SD-CE 3.45Å; M146-K388 HydrophobicContact SD-CG 3.78Å
147D90.4Very high92.9Very high58 Ų5860.4 Ų60.431%0.3130%0.302SS..  trans-111.1105.8-179.9178.3-7.5000111.4T149 K150 E153D147-T149 VanDerWaalsContact CG-OG1 3.3Å; D147-T149 PolarHBondContact O-N 2.89Å; D147-T149 WeakPolarHBondContact OD1-CB 3.4Å; D147-T149 WeakPolarHBondContact OD1-CG2 3.39Å; D147-T149 PolarHBondContact OD1-N 2.88Å; D147-T149 PolarHBondContact OD1-OG1 2.9Å; D147-T149 PolarHBondContact OD2-OG1 2.96Å; D147-K150 HydrophobicContact CB-CD 4.05Å; D147-K150 HydrophobicContact CB-CG 4.19Å; D147-K150 PolarHBondContact O-N 2.76Å; D147-K150 VanDerWaalsContact OD2-CE 3.31Å; D147-K150 WeakPolarHBondContact OD2-CE 3.42Å; D147-E153 PolarHBondContact N-OE2 2.98Å; D147-E153 WeakPolarHBondContact O-CB 3.39Å
148E88.9Confident93Very high121 Ų12157.1 Ų57.157%0.56529%0.287SS*.THydrogen-bonded Turntrans-58.2-18.4-178.5-67-166.6162.300114.4K150 R154E148-K150 VanDerWaalsContact C-N 3.34Å; E148-R154 WeakPolarHBondContact O-CD 3.38Å
149T88.9Confident93.2Very high117 Ų11757.1 Ų57.172%0.71829%0.285SS*.THydrogen-bonded Turntrans-76.5-22177.774.40000112.8D147D147-T149 VanDerWaalsContact CG-OG1 3.3Å; D147-T149 PolarHBondContact O-N 2.89Å; D147-T149 WeakPolarHBondContact OD1-CB 3.4Å; D147-T149 WeakPolarHBondContact OD1-CG2 3.39Å; D147-T149 PolarHBondContact OD1-N 2.88Å; D147-T149 PolarHBondContact OD1-OG1 2.9Å; D147-T149 PolarHBondContact OD2-OG1 2.96Å
150K93.2Very high93.2Very high71 Ų7154.2 Ų54.231%0.30927%0.272SS..SBendtrans-94.1139.4-178.7-62.9178.4-171.6-179.70112.4D147 E148 E153 R154 D393D147-K150 HydrophobicContact CB-CD 4.05Å; D147-K150 HydrophobicContact CB-CG 4.19Å; D147-K150 PolarHBondContact O-N 2.76Å; D147-K150 VanDerWaalsContact OD2-CE 3.31Å; D147-K150 WeakPolarHBondContact OD2-CE 3.42Å; E148-K150 VanDerWaalsContact C-N 3.34Å; K150-E153 HydrophobicContact CB-CB 4.14Å; K150-E153 HydrophobicContact CB-CG 4.06Å; K150-E153 HydrophobicContact CD-CG 4.19Å; K150-E153 WeakPolarHBondContact CD-OE1 3.5Å; K150-E153 IonicContact NZ-OE1 3.89Å; K150-E153 PolarHBondContact NZ-OE1 2.94Å; K150-E153 PolarHBondContact O-N 2.98Å; K150-R154 VanDerWaalsContact O-CD 3.3Å; K150-R154 WeakPolarHBondContact O-CD 3.1Å; K150-R154 WeakPolarHBondContact O-CG 3.42Å; K150-D393 IonicContact NZ-OD2 3.67Å
151S94.6Very high93.3Very high20 Ų2055.5 Ų55.514%0.1428%0.281CS..THydrogen-bonded Turntrans-64.3136.1169.851.10000111.2E153 D156S151-E153 PolarHBondContact O-N 2.79Å; S151-D156 VanDerWaalsContact CA-OD2 3.29Å; S151-D156 WeakPolarHBondContact CA-OD2 3.4Å
152G93.6Very high93.2Very high2 Ų249.6 Ų49.62%0.02126%0.264CS..THydrogen-bonded Turntrans79.2-1.4-177.900000115.1D156 K388G152-D156 WeakPolarHBondContact CA-OD1 3.41Å; G152-D156 PolarHBondContact N-OD1 2.8Å; G152-D156 PolarHBondContact N-OD2 3.05Å; G152-K388 WeakPolarHBondContact O-CA 3.31Å
153E94.8Very high93.2Very high3 Ų344.7 Ų44.71%0.01424%0.238CC..SBendtrans-108.412.7168.2-59.5-156.2-159.700112.4F140 M146 D147 K150 S151 K388F140-E153 WeakPolarHBondContact CD1-O 3.01Å; M146-E153 HydrophobicContact CE-CB 4.37Å; D147-E153 PolarHBondContact N-OE2 2.98Å; D147-E153 WeakPolarHBondContact O-CB 3.39Å; K150-E153 HydrophobicContact CB-CB 4.14Å; K150-E153 HydrophobicContact CB-CG 4.06Å; K150-E153 HydrophobicContact CD-CG 4.19Å; K150-E153 WeakPolarHBondContact CD-OE1 3.5Å; K150-E153 IonicContact NZ-OE1 3.89Å; K150-E153 PolarHBondContact NZ-OE1 2.94Å; K150-E153 PolarHBondContact O-N 2.98Å; S151-E153 PolarHBondContact O-N 2.79Å; E153-K388 VanDerWaalsContact CD-CE 3.41Å; E153-K388 HydrophobicContact CG-CD 3.82Å; E153-K388 HydrophobicContact CG-CG 4.08Å; E153-K388 IonicContact OE1-NZ 3.6Å; E153-K388 PolarHBondContact OE1-NZ 3.02Å; E153-K388 VanDerWaalsContact OE1-NZ 3.09Å; E153-K388 WeakPolarHBondContact OE2-CE 3.43Å; E153-K388 IonicContact OE2-NZ 2.72Å; E153-K388 PolarHBondContact OE2-NZ 2.91Å
154R94.4Very high93.2Very high61 Ų6143.5 Ų43.523%0.2323%0.228CC..SBendtrans-142.3171.6-171.672.4-170.8-17415712.6109.5F140 E148 K150 D156 M337F140-R154 WeakPolarHBondContact CE1-O 3.42Å; F140-R154 VanDerWaalsContact CZ-C 3.48Å; F140-R154 WeakPolarHBondContact CZ-O 3.47Å; E148-R154 WeakPolarHBondContact O-CD 3.38Å; K150-R154 VanDerWaalsContact O-CD 3.3Å; K150-R154 WeakPolarHBondContact O-CD 3.1Å; K150-R154 WeakPolarHBondContact O-CG 3.42Å; R154-D156 HydrophobicContact CG-CB 4.15Å; R154-D156 WeakPolarHBondContact CG-OD2 3.36Å; R154-D156 IonicContact CZ-OD2 2.66Å; R154-D156 IonicContact NE-OD2 2.79Å; R154-D156 PolarHBondContact NE-OD2 3.16Å; R154-D156 IonicContact NH2-OD2 2.94Å; R154-D156 PolarHBondContact O-N 3.33Å; R154-M337 PolarHBondContact NH2-O 3.33Å
155P95.8Very high93.3Very high23 Ų2334.6 Ų34.615%0.14919%0.186CC..THydrogen-bonded Turntrans-72.771.5177.529.6-33.8000111.9F140 Y339 F342F140-P155 HydrophobicContact CD2-CB 3.74Å; F140-P155 HydrophobicContact CD2-CG 4.07Å; F140-P155 HydrophobicContact CE2-CB 3.74Å; F140-P155 HydrophobicContact CE2-CG 4.49Å; F140-P155 HydrophobicContact CG-CG 4.49Å; P155-Y339 HydrophobicContact CB-CD2 4.05Å; P155-Y339 HydrophobicContact CB-CE2 3.92Å; P155-Y339 HydrophobicContact CG-CD2 3.92Å; P155-Y339 HydrophobicContact CG-CE2 3.93Å; P155-Y339 WeakPolarHBondContact O-CD2 3.49Å; P155-F342 HydrophobicContact CB-CD1 3.97Å; P155-F342 HydrophobicContact CB-CE1 3.64Å; P155-F342 HydrophobicContact CB-CZ 4.23Å; P155-F342 WeakPolarHBondContact O-CD1 3.42Å; P155-F342 WeakPolarHBondContact O-CG 3.32Å
156D96.8Very high93.2Very high1 Ų132.8 Ų32.81%0.00517%0.169CC..THydrogen-bonded Turntrans-126.4-14.2171.86617000113.7S151 G152 R154 Q335 Y336S151-D156 VanDerWaalsContact CA-OD2 3.29Å; S151-D156 WeakPolarHBondContact CA-OD2 3.4Å; G152-D156 WeakPolarHBondContact CA-OD1 3.41Å; G152-D156 PolarHBondContact N-OD1 2.8Å; G152-D156 PolarHBondContact N-OD2 3.05Å; R154-D156 HydrophobicContact CG-CB 4.15Å; R154-D156 WeakPolarHBondContact CG-OD2 3.36Å; R154-D156 IonicContact CZ-OD2 2.66Å; R154-D156 IonicContact NE-OD2 2.79Å; R154-D156 PolarHBondContact NE-OD2 3.16Å; R154-D156 IonicContact NH2-OD2 2.94Å; R154-D156 PolarHBondContact O-N 3.33Å; D156-Q335 WeakPolarHBondContact O-CA 3.38Å; D156-Y336 PolarHBondContact O-N 3.4Å
157T97.7Very high93.2Very high2 Ų231.3 Ų31.31%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-109.3111.7-171.4-590000111.9Y333 Q335 D385 L390T157-Y333 HydrophobicContact CG2-CD1 4.35Å; T157-Q335 WeakPolarHBondContact OG1-CG 3.32Å; T157-Q335 PolarHBondContact OG1-NE2 3.39Å; T157-Q335 VanDerWaalsContact OG1-NE2 3.12Å; T157-D385 HydrophobicContact CG2-CB 3.7Å; T157-D385 PolarHBondContact O-N 3.35Å; T157-D385 VanDerWaalsContact O-N 3.1Å; T157-L390 HydrophobicContact CG2-CB 4.2Å; T157-L390 HydrophobicContact CG2-CD1 4.01Å; T157-L390 HydrophobicContact CG2-CG 4.16Å
158L97.3Very high93.3Very high0 Ų028.5 Ų28.50%015%0.147CC..EExtended strand (participates in β ladder)trans-86.7132.6179-173.770.9000110.4L160 F208 Y333 V334 Y336 F342 A345 M346 L349 I382L158-L160 HydrophobicContact CD2-CD1 4.07Å; L158-L160 HydrophobicContact CD2-CD2 3.98Å; L158-L160 HydrophobicContact CD2-CG 4.04Å; L158-L160 HydrophobicContact CG-CD2 4.18Å; L158-L160 HydrophobicContact CG-CG 4.11Å; L158-F208 HydrophobicContact CD2-CD1 4.47Å; L158-Y333 WeakPolarHBondContact O-CA 3.06Å; L158-V334 HydrophobicContact CB-CB 4.39Å; L158-V334 WeakPolarHBondContact CB-O 3.48Å; L158-V334 PolarHBondContact N-O 3.18Å; L158-V334 PolarHBondContact O-N 3.03Å; L158-Y336 HydrophobicContact CB-CE2 4.16Å; L158-Y336 HydrophobicContact CD2-CE2 4.11Å; L158-F342 HydrophobicContact CB-CD2 4.47Å; L158-A345 HydrophobicContact CD2-CB 3.91Å; L158-M346 HydrophobicContact CD1-CG 4.01Å; L158-M346 HydrophobicContact CD1-SD 3.29Å; L158-M346 WeakPolarHBondContact CD1-SD 3.45Å; L158-L349 HydrophobicContact CD2-CD1 4.04Å; L158-I382 HydrophobicContact CD1-CG2 3.48Å; L158-I382 VanDerWaalsContact CD1-CG2 3.48Å; L158-I382 HydrophobicContact CG-CG2 4.39Å
159V97.3Very high93.3Very high17 Ų1722.9 Ų22.910%0.10312%0.121CC..EExtended strand (participates in β ladder)trans-109.7118.6175.9-172.50000109.1T161 Y333 I382 D383 D385V159-T161 HydrophobicContact CG1-CG2 4.36Å; V159-Y333 HydrophobicContact CB-CE1 4.46Å; V159-Y333 HydrophobicContact CG1-CD1 4.46Å; V159-Y333 HydrophobicContact CG1-CE1 4.05Å; V159-Y333 HydrophobicContact CG2-CD1 3.75Å; V159-Y333 HydrophobicContact CG2-CE1 3.64Å; V159-I382 WeakPolarHBondContact O-CA 3.35Å; V159-D383 HydrophobicContact CB-CB 4.4Å; V159-D383 PolarHBondContact N-O 2.82Å; V159-D383 PolarHBondContact O-N 3.31Å; V159-D385 HydrophobicContact CG2-CB 3.93Å
160L96.3Very high93Very high0 Ų020 Ų200%011%0.105CC..EExtended strand (participates in β ladder)trans-114.6128.8-177.2-64.4165.9000109.4L158 L163 F208 I331 A332 V334 L349 I382L158-L160 HydrophobicContact CD2-CD1 4.07Å; L158-L160 HydrophobicContact CD2-CD2 3.98Å; L158-L160 HydrophobicContact CD2-CG 4.04Å; L158-L160 HydrophobicContact CG-CD2 4.18Å; L158-L160 HydrophobicContact CG-CG 4.11Å; L160-L163 HydrophobicContact CB-CD1 3.83Å; L160-L163 HydrophobicContact CB-CD2 4.49Å; L160-L163 HydrophobicContact CB-CG 4.18Å; L160-L163 HydrophobicContact CD1-CD1 4.23Å; L160-F208 HydrophobicContact CD1-CD1 3.95Å; L160-F208 HydrophobicContact CD1-CD2 4.02Å; L160-F208 HydrophobicContact CD1-CE1 3.56Å; L160-F208 HydrophobicContact CD1-CE2 3.64Å; L160-F208 HydrophobicContact CD1-CG 4.2Å; L160-F208 HydrophobicContact CD1-CZ 3.41Å; L160-F208 VanDerWaalsContact CD1-CZ 3.41Å; L160-F208 HydrophobicContact CD2-CE1 4.18Å; L160-F208 HydrophobicContact CD2-CZ 4.35Å; L160-F208 HydrophobicContact CG-CZ 4.5Å; L160-I331 CarbonylContact O-C 3.49Å; L160-I331 VanDerWaalsContact O-CA 3.23Å; L160-I331 WeakPolarHBondContact O-CA 3.43Å; L160-I331 WeakPolarHBondContact O-CG2 3.44Å; L160-A332 PolarHBondContact N-O 3.39Å; L160-A332 PolarHBondContact O-N 2.94Å; L160-V334 HydrophobicContact CD1-CG2 4.09Å; L160-L349 HydrophobicContact CD2-CD1 4.16Å; L160-I382 HydrophobicContact CD2-CG1 3.91Å; L160-I382 HydrophobicContact CD2-CG2 4.38Å
161T94.1Very high92Very high39 Ų3917.3 Ų17.324%0.23910%0.099CC..EExtended strand (participates in β ladder)trans-131.2145.3178.276.60000111.7V159 I331 I380 K381V159-T161 HydrophobicContact CG1-CG2 4.36Å; T161-I331 HydrophobicContact CG2-CD1 3.7Å; T161-I331 HydrophobicContact CG2-CG1 3.8Å; T161-I331 HydrophobicContact CG2-CG2 4.21Å; T161-I380 WeakPolarHBondContact O-CA 3.37Å; T161-K381 PolarHBondContact N-O 2.76Å; T161-K381 PolarHBondContact O-N 2.87Å; T161-K381 WeakPolarHBondContact OG1-CB 3.5Å
162G91.3Very high90.7Very high17 Ų1718.3 Ų18.318%0.17511%0.106CC..EExtended strand (participates in β ladder)trans85.612.1-178.700000114.5P164 F330G162-P164 WeakPolarHBondContact O-CD 3.19Å; G162-F330 PolarHBondContact N-O 2.77Å; G162-F330 VanDerWaalsContact N-O 3.13Å
163L93.7Very high89.4Confident0 Ų020.6 Ų20.60%012%0.116CC..EExtended strand (participates in β ladder)trans-61.4122.2175.3-65.3174.1000109.6L160 I165 F168 F208 T329 F330 A332 L354 I380L160-L163 HydrophobicContact CB-CD1 3.83Å; L160-L163 HydrophobicContact CB-CD2 4.49Å; L160-L163 HydrophobicContact CB-CG 4.18Å; L160-L163 HydrophobicContact CD1-CD1 4.23Å; L163-I165 PolarHBondContact O-N 3.4Å; L163-F168 HydrophobicContact CB-CD2 4.41Å; L163-F168 HydrophobicContact CB-CE2 4.08Å; L163-F168 HydrophobicContact CD2-CE2 3.96Å; L163-F168 HydrophobicContact CD2-CZ 3.99Å; L163-F168 HydrophobicContact CG-CE2 4.49Å; L163-F208 HydrophobicContact CD2-CE2 4.46Å; L163-F208 HydrophobicContact CD2-CZ 4.18Å; L163-T329 CarbonylContact O-C 3.59Å; L163-T329 WeakPolarHBondContact O-CA 3.42Å; L163-F330 HydrophobicContact CB-CD1 3.78Å; L163-F330 HydrophobicContact CB-CD2 4.27Å; L163-F330 HydrophobicContact CB-CE1 3.48Å; L163-F330 VanDerWaalsContact CB-CE1 3.48Å; L163-F330 HydrophobicContact CB-CE2 4.02Å; L163-F330 HydrophobicContact CB-CG 4.16Å; L163-F330 HydrophobicContact CB-CZ 3.62Å; L163-F330 HydrophobicContact CD1-CD2 4.1Å; L163-F330 HydrophobicContact CD1-CE1 4.42Å; L163-F330 HydrophobicContact CD1-CE2 3.5Å; L163-F330 HydrophobicContact CD1-CZ 3.69Å; L163-F330 HydrophobicContact CG-CE2 4.42Å; L163-F330 HydrophobicContact CG-CZ 4.3Å; L163-F330 PolarHBondContact N-O 2.94Å; L163-F330 WeakPolarHBondContact O-CD1 3.4Å; L163-F330 WeakPolarHBondContact O-CE1 3.5Å; L163-F330 PolarHBondContact O-N 3.43Å; L163-A332 HydrophobicContact CD1-CB 3.82Å; L163-L354 HydrophobicContact CD2-CD2 4.3Å; L163-I380 HydrophobicContact CD2-CG2 4.07Å
164P92.1Very high87.5Confident1 Ų126.4 Ų26.41%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-68.9121.7-179.6-24.136.8000111.9G162 R166 W167 I280 A378G162-P164 WeakPolarHBondContact O-CD 3.19Å; P164-R166 VanDerWaalsContact C-N 3.31Å; P164-R166 PolarHBondContact O-N 2.92Å; P164-W167 HydrophobicContact CB-CD2 3.71Å; P164-W167 HydrophobicContact CB-CE3 4.17Å; P164-W167 HydrophobicContact CB-CG 3.9Å; P164-W167 HydrophobicContact CB-CZ2 4.44Å; P164-W167 HydrophobicContact CG-CD2 3.74Å; P164-W167 HydrophobicContact CG-CE3 3.69Å; P164-W167 HydrophobicContact CG-CG 4.42Å; P164-W167 HydrophobicContact CG-CH2 4.06Å; P164-W167 HydrophobicContact CG-CZ2 4.06Å; P164-W167 HydrophobicContact CG-CZ3 3.87Å; P164-W167 PolarHBondContact O-N 3.12Å; P164-I280 HydrophobicContact CB-CD1 3.83Å; P164-I280 HydrophobicContact CG-CD1 3.92Å; P164-I280 HydrophobicContact CG-CG1 4.29Å; P164-A378 HydrophobicContact CG-CB 3.54Å
165I90.3Very high85.4Confident6 Ų629.2 Ų29.23%0.03116%0.157CC..G310 helixtrans-49.3-51.7-172.5-71.6169.6000111.9L163 W167 F168 A169 E197 M221 P327 L328 F330L163-I165 PolarHBondContact O-N 3.4Å; I165-W167 PolarHBondContact O-N 2.79Å; I165-F168 CarbonylContact O-C 3.54Å; I165-F168 PolarHBondContact O-N 2.66Å; I165-A169 PolarHBondContact O-N 2.77Å; I165-E197 WeakPolarHBondContact CG2-O 3.45Å; I165-M221 HydrophobicContact CD1-CE 3.86Å; I165-M221 HydrophobicContact CD1-SD 4.5Å; I165-P327 WeakPolarHBondContact CD1-O 3.44Å; I165-L328 PolarHBondContact N-O 3.03Å; I165-F330 HydrophobicContact CB-CD1 4.42Å; I165-F330 HydrophobicContact CG1-CB 4.3Å; I165-F330 HydrophobicContact CG1-CD1 3.83Å
166R86.3Confident82.8Confident96 Ų9633.5 Ų33.536%0.36219%0.185SC..G310 helixtrans-62.6-27.7-174.1-58.7-175.575.5168.79.6113.4P164 F168 A169 S172 G271P164-R166 VanDerWaalsContact C-N 3.31Å; P164-R166 PolarHBondContact O-N 2.92Å; R166-F168 PolarHBondContact O-N 3.06Å; R166-A169 PolarHBondContact O-N 3.01Å; R166-S172 WeakPolarHBondContact O-CB 3.32Å; R166-S172 PolarHBondContact O-OG 3.34Å; R166-G271 PolarHBondContact NH1-O 2.8Å
167W90Very high80.3Confident2 Ų241.8 Ų41.81%0.00822%0.216CC..G310 helixtrans-73.2-18.4179.7-58.1-2.6000112.3L26 P164 I165 H173 I280 L354 Y356 Y376 A378L26-W167 HydrophobicContact CD2-CE3 4.26Å; P164-W167 HydrophobicContact CB-CD2 3.71Å; P164-W167 HydrophobicContact CB-CE3 4.17Å; P164-W167 HydrophobicContact CB-CG 3.9Å; P164-W167 HydrophobicContact CB-CZ2 4.44Å; P164-W167 HydrophobicContact CG-CD2 3.74Å; P164-W167 HydrophobicContact CG-CE3 3.69Å; P164-W167 HydrophobicContact CG-CG 4.42Å; P164-W167 HydrophobicContact CG-CH2 4.06Å; P164-W167 HydrophobicContact CG-CZ2 4.06Å; P164-W167 HydrophobicContact CG-CZ3 3.87Å; P164-W167 PolarHBondContact O-N 3.12Å; I165-W167 PolarHBondContact O-N 2.79Å; W167-H173 PolarHBondContact O-CE1 2.76Å; W167-H173 PolarHBondContact O-NE2 3.1Å; W167-I280 HydrophobicContact CZ2-CG2 4.14Å; W167-L354 HydrophobicContact CE3-CD2 3.75Å; W167-L354 HydrophobicContact CE3-CG 4Å; W167-L354 HydrophobicContact CZ3-CB 4.07Å; W167-L354 HydrophobicContact CZ3-CD2 3.93Å; W167-L354 HydrophobicContact CZ3-CG 3.77Å; W167-L354 WeakPolarHBondContact CZ3-O 3.29Å; W167-Y356 HydrophobicContact CB-CG 4.41Å; W167-Y356 AromaticContact CD1-CD1 3.48Å; W167-Y356 VanDerWaalsContact CD1-CD1 3.48Å; W167-Y356 AromaticContact CD1-CG 3.94Å; W167-Y356 VanDerWaalsContact CD2-CB 3.41Å; W167-Y356 HydrophobicContact CD2-CD1 4.3Å; W167-Y356 HydrophobicContact CD2-CG 4.05Å; W167-Y356 AromaticContact CG-CD1 3.93Å; W167-Y356 HydrophobicContact CG-CD1 3.93Å; W167-Y356 AromaticContact CG-CG 3.9Å; W167-Y356 HydrophobicContact CG-CG 3.9Å; W167-Y356 AromaticContact NE1-CD1 3.67Å; W167-Y376 VanDerWaalsContact CH2-O 3.29Å; W167-Y376 WeakPolarHBondContact CH2-O 3.31Å; W167-A378 HydrophobicContact CH2-CB 3.42Å; W167-A378 VanDerWaalsContact CH2-CB 3.42Å; W167-A378 HydrophobicContact CZ2-CB 4.26Å; W167-A378 HydrophobicContact CZ3-CB 3.65Å
168F92Very high77.5Confident0 Ų050 Ų500%025%0.252CS..G310 helixtrans-112.810.1178.3-62.5-91.5000112.4L26 L163 I165 R166 P199 D200 I203 V204 A207 F208 F330 L354L26-F168 HydrophobicContact CD1-CE1 4.04Å; L26-F168 HydrophobicContact CD1-CZ 4.08Å; L163-F168 HydrophobicContact CB-CD2 4.41Å; L163-F168 HydrophobicContact CB-CE2 4.08Å; L163-F168 HydrophobicContact CD2-CE2 3.96Å; L163-F168 HydrophobicContact CD2-CZ 3.99Å; L163-F168 HydrophobicContact CG-CE2 4.49Å; I165-F168 CarbonylContact O-C 3.54Å; I165-F168 PolarHBondContact O-N 2.66Å; R166-F168 PolarHBondContact O-N 3.06Å; F168-P199 HydrophobicContact CB-CB 4.09Å; F168-D200 WeakPolarHBondContact O-CB 3.29Å; F168-D200 PolarHBondContact O-N 3.37Å; F168-I203 HydrophobicContact CB-CG2 4.33Å; F168-I203 HydrophobicContact CD1-CG2 4.17Å; F168-V204 HydrophobicContact CB-CG2 4.04Å; F168-V204 HydrophobicContact CD1-CB 4.44Å; F168-V204 HydrophobicContact CD1-CG2 3.72Å; F168-V204 HydrophobicContact CE1-CG2 4.49Å; F168-V204 HydrophobicContact CG-CG2 4.08Å; F168-A207 HydrophobicContact CD1-CB 4.48Å; F168-A207 HydrophobicContact CE1-CB 3.75Å; F168-F208 AromaticContact CE1-CE2 3.95Å; F168-F208 HydrophobicContact CE1-CE2 3.95Å; F168-F208 HydrophobicContact CZ-CE2 4.14Å; F168-F330 HydrophobicContact CB-CE1 3.94Å; F168-F330 HydrophobicContact CB-CZ 3.74Å; F168-F330 HydrophobicContact CD1-CZ 4.42Å; F168-F330 AromaticContact CD2-CE1 3.65Å; F168-F330 HydrophobicContact CD2-CE1 3.65Å; F168-F330 AromaticContact CD2-CZ 3.66Å; F168-F330 HydrophobicContact CD2-CZ 3.66Å; F168-F330 HydrophobicContact CE2-CE1 4.47Å; F168-F330 HydrophobicContact CE2-CZ 4.38Å; F168-F330 HydrophobicContact CG-CE1 4.02Å; F168-F330 AromaticContact CG-CZ 3.69Å; F168-F330 HydrophobicContact CG-CZ 3.69Å; F168-L354 HydrophobicContact CE2-CD2 3.82Å; F168-L354 HydrophobicContact CZ-CD2 3.81Å
169A88.8Confident74.5Confident2 Ų258 Ų582%0.01728%0.282CS..SBendtrans-87.7142.6178.900000112.1I165 R166 G171 S172 K198I165-A169 PolarHBondContact O-N 2.77Å; R166-A169 PolarHBondContact O-N 3.01Å; A169-G171 VanDerWaalsContact C-N 3.27Å; A169-G171 PolarHBondContact O-N 2.82Å; A169-S172 WeakPolarHBondContact O-CB 3.31Å; A169-S172 PolarHBondContact O-N 2.92Å; A169-K198 WeakPolarHBondContact CB-O 3.43Å
170S83.2Confident71.8Confident56 Ų5661.4 Ų61.439%0.39230%0.303SS..THydrogen-bonded Turntrans-58.1-34.5-173.4-34.60000113.8N174 D200S170-N174 PolarHBondContact O-ND2 2.92Å; S170-D200 WeakPolarHBondContact OG-CB 3.34Å; S170-D200 PolarHBondContact OG-OD2 2.97Å
171G70.7Confident68.9Low16 Ų1666.6 Ų66.617%0.16533%0.331CS..Hα-helixtrans-74.4-20179.200000114.7A169 H173 R175 E196A169-G171 VanDerWaalsContact C-N 3.27Å; A169-G171 PolarHBondContact O-N 2.82Å; G171-H173 VanDerWaalsContact C-N 3.29Å; G171-H173 PolarHBondContact O-N 3.38Å; G171-R175 WeakPolarHBondContact O-CB 3.48Å; G171-R175 WeakPolarHBondContact O-CG 3.23Å; G171-R175 PolarHBondContact O-N 3.42Å; G171-E196 WeakPolarHBondContact CA-OE2 3.26Å
172S68Low66.7Low41 Ų4169.3 Ų69.329%0.28735%0.351SS..Hα-helixtrans-73.9-19.1-177.3-160.50000113.8R166 A169 Y356R166-S172 WeakPolarHBondContact O-CB 3.32Å; R166-S172 PolarHBondContact O-OG 3.34Å; A169-S172 WeakPolarHBondContact O-CB 3.31Å; A169-S172 PolarHBondContact O-N 2.92Å; S172-Y356 PolarHBondContact O-OH 3.05Å; S172-Y356 VanDerWaalsContact O-OH 3.07Å; S172-Y356 PolarHBondContact OG-OH 3.21Å
173H66.9Low64.8Low50 Ų5074.7 Ų74.723%0.23138%0.376CS..Hα-helixtrans-111.8-24.2-179.9-54.3-77.7000112.9L24 W167 G171 Y356L24-H173 PolarHBondContact O-CE1 2.82Å; W167-H173 PolarHBondContact O-CE1 2.76Å; W167-H173 PolarHBondContact O-NE2 3.1Å; G171-H173 VanDerWaalsContact C-N 3.29Å; G171-H173 PolarHBondContact O-N 3.38Å; H173-Y356 AromaticContact CE1-CE2 3.7Å
174N54.7Low62.5Low124 Ų12481.2 Ų81.266%0.66341%0.411SS*.Hα-helixtrans-102.4-7-172.2-68.7-66.8000115.9S170 P176S170-N174 PolarHBondContact O-ND2 2.92Å; N174-P176 WeakPolarHBondContact O-CD 3.07Å
175R51Low60.2Low121 Ų12185.6 Ų85.646%0.45744%0.438SS..  trans-84.5109.3-178.6-77.4-175-171.1-997.5113.4G171 R177 E196G171-R175 WeakPolarHBondContact O-CB 3.48Å; G171-R175 WeakPolarHBondContact O-CG 3.23Å; G171-R175 PolarHBondContact O-N 3.42Å; R175-R177 PolarHBondContact O-N 3.47Å; R175-E196 IonicContact CZ-OE1 3.24Å; R175-E196 IonicContact NE-OE1 2.65Å; R175-E196 PolarHBondContact NE-OE1 2.84Å; R175-E196 IonicContact NH2-OE1 2.76Å; R175-E196 PolarHBondContact NH2-OE1 3.32Å
176P40.4Very low58.2Low113 Ų11391.5 Ų91.573%0.73447%0.469SS*.  trans-64.1124.6143.829.7-31.9000107.9N174 F178N174-P176 WeakPolarHBondContact O-CD 3.07Å; P176-F178 VanDerWaalsContact C-N 3.28Å; P176-F178 PolarHBondContact O-N 3.22Å
177R44.8Very low56.3Low174 Ų17491.7 Ų91.766%0.65749%0.486SS*.  trans-71.288.1170.4-77.2-165.5-179.1-174.42.4109.2R175 Y268R175-R177 PolarHBondContact O-N 3.47Å; R177-Y268 PolarHBondContact NH1-O 2.95Å; R177-Y268 PolarHBondContact NH2-O 2.95Å
178F37.8Very low54.3Low176 Ų17694.1 Ų94.177%0.77250%0.503SS*.  trans-59.2143.4170.6-164.7-96.4000109.9P176 V180P176-F178 VanDerWaalsContact C-N 3.28Å; P176-F178 PolarHBondContact O-N 3.22Å; F178-V180 PolarHBondContact O-N 2.97Å
179R34.2Very low52Low166 Ų166101.3 Ų101.363%0.62653%0.531SS*.  trans-65.5135.3-179.3-68.7-176.2-177.9168.72.7109.8N181R179-N181 PolarHBondContact O-N 2.88Å; R179-N181 VanDerWaalsContact O-N 3.1Å
180V40.2Very low49.8Very low89 Ų89106.9 Ų106.954%0.53956%0.56SS.*  trans-72.5101.7163.4-179.20000107F178F178-V180 PolarHBondContact O-N 2.97Å
181N37Very low47.9Very low110 Ų110107.3 Ų107.359%0.58856%0.563SS**  trans-64.2143163.2-72.1-12.7000108.2R179 D183R179-N181 PolarHBondContact O-N 2.88Å; R179-N181 VanDerWaalsContact O-N 3.1Å; N181-D183 PolarHBondContact O-N 2.93Å
182S47.6Very low46.5Very low96 Ų96110.4 Ų110.467%0.67158%0.575SS**THydrogen-bonded Turntrans-66.2-5-165.143.20000116.3T185S182-T185 WeakPolarHBondContact O-CG2 3.42Å
183D51Low45.3Very low129 Ų129114.8 Ų114.869%0.6960%0.595SS**THydrogen-bonded Turntrans-108.1-28.9-155.8-63.213.2000112.6N181 T185N181-D183 PolarHBondContact O-N 2.93Å; D183-T185 PolarHBondContact O-N 3.3Å; D183-T185 PolarHBondContact O-OG1 3.31Å
184D45.6Very low44.2Very low137 Ų137116.5 Ų116.573%0.73361%0.609SS**  trans-82.446.7179.2-73-50.5000113.7N186D184-N186 VanDerWaalsContact C-N 3.27Å; D184-N186 PolarHBondContact O-N 3.13Å
185T44.6Very low43.8Very low94 Ų94115.5 Ų115.558%0.57760%0.603SS**THydrogen-bonded Turntrans-67.26.8-159.743.10000118.8S182 D183S182-T185 WeakPolarHBondContact O-CG2 3.42Å; D183-T185 PolarHBondContact O-N 3.3Å; D183-T185 PolarHBondContact O-OG1 3.31Å
186N46.9Very low44.1Very low129 Ų129111.4 Ų111.469%0.6959%0.589SS**THydrogen-bonded Turntrans-135.9-16.3-174.7-77.2-88.7000117.3D184D184-N186 VanDerWaalsContact C-N 3.27Å; D184-N186 PolarHBondContact O-N 3.13Å
187S47Very low45.4Very low101 Ų101113.3 Ų113.371%0.70659%0.588SS**THydrogen-bonded Turntrans-102.1-50.2-178.2-163.70000112.5Y189 L190S187-Y189 PolarHBondContact O-N 2.88Å; S187-L190 PolarHBondContact O-N 2.83Å
188S47.9Very low47.4Very low52 Ų52109.4 Ų109.436%0.36458%0.576SS.*Hα-helixtrans-60.3-41.3-173.5-174.70000113.4L190 S191 L192S188-L190 PolarHBondContact O-N 2.8Å; S188-L190 VanDerWaalsContact O-N 3.13Å; S188-S191 PolarHBondContact O-N 3.31Å; S188-L192 VanDerWaalsContact O-CG 3.31Å; S188-L192 WeakPolarHBondContact O-CG 3.2Å; S188-L192 PolarHBondContact O-N 2.8Å
189Y43.7Very low49.9Very low151 Ų151101.3 Ų101.359%0.59254%0.541SS*.Hα-helixtrans-65.1-18.2-174.8-115.7-81.5000115S187 L193S187-Y189 PolarHBondContact O-N 2.88Å; Y189-L193 WeakPolarHBondContact O-CD1 3.24Å
190L43.4Very low52.7Low120 Ų12094.9 Ų94.963%0.62852%0.519SS*.Hα-helixtrans-92.2-43.4179.3-111.9166.6000112.8S187 S188 L192 L193 V194S187-L190 PolarHBondContact O-N 2.83Å; S188-L190 PolarHBondContact O-N 2.8Å; S188-L190 VanDerWaalsContact O-N 3.13Å; L190-L192 VanDerWaalsContact C-N 3.28Å; L190-L192 PolarHBondContact O-N 3.02Å; L190-L193 PolarHBondContact O-N 2.81Å; L190-L193 VanDerWaalsContact O-N 3.16Å; L190-V194 WeakPolarHBondContact O-CG2 3.32Å
191S42Very low55.2Low64 Ų6493.5 Ų93.545%0.44851%0.512SS..Hα-helixtrans-62.8-35.4174.1167.50000111.9S188 L193 V194 D195S188-S191 PolarHBondContact O-N 3.31Å; S191-L193 PolarHBondContact O-N 3.48Å; S191-V194 PolarHBondContact O-N 2.86Å; S191-D195 PolarHBondContact OG-OD2 2.85Å
192L42.4Very low57.9Low81 Ų8192 Ų9242%0.42451%0.51SS..THydrogen-bonded Turntrans-62.7-9.2175.7-71.8173.2000115.1S188 L190S188-L192 VanDerWaalsContact O-CG 3.31Å; S188-L192 WeakPolarHBondContact O-CG 3.2Å; S188-L192 PolarHBondContact O-N 2.8Å; L190-L192 VanDerWaalsContact C-N 3.28Å; L190-L192 PolarHBondContact O-N 3.02Å
193L41.6Very low60.1Low134 Ų13487.9 Ų87.970%0.70248%0.481SS*.THydrogen-bonded Turntrans-113.8-4.2-177.9-67.6175.9000114.6Y189 L190 S191Y189-L193 WeakPolarHBondContact O-CD1 3.24Å; L190-L193 PolarHBondContact O-N 2.81Å; L190-L193 VanDerWaalsContact O-N 3.16Å; S191-L193 PolarHBondContact O-N 3.48Å
194V44.2Very low62.2Low86 Ų8681.8 Ų81.852%0.52145%0.448SS..THydrogen-bonded Turntrans-119.1-32-169.3177.80000113.7L190 S191 E196L190-V194 WeakPolarHBondContact O-CG2 3.32Å; S191-V194 PolarHBondContact O-N 2.86Å; V194-E196 PolarHBondContact O-N 2.9Å
195D47Very low64.6Low103 Ų10379.3 Ų79.355%0.55143%0.431SS*.THydrogen-bonded Turntrans-91.119.1-162.1-58.5-44.2000116S191S191-D195 PolarHBondContact OG-OD2 2.85Å
196E57.3Low67.1Low35 Ų3579 Ų7916%0.16442%0.422CS..THydrogen-bonded Turntrans-125.323.7-174.5-55.1-80.216900113.8G171 R175 V194G171-E196 WeakPolarHBondContact CA-OE2 3.26Å; R175-E196 IonicContact CZ-OE1 3.24Å; R175-E196 IonicContact NE-OE1 2.65Å; R175-E196 PolarHBondContact NE-OE1 2.84Å; R175-E196 IonicContact NH2-OE1 2.76Å; R175-E196 PolarHBondContact NH2-OE1 3.32Å; V194-E196 PolarHBondContact O-N 2.9Å
197E68.5Low69.4Low153 Ų15372.8 Ų72.872%0.71539%0.39SS*.SBendtrans-90.96.4-176.6-64.2-158.4148.500115.4I165I165-E197 WeakPolarHBondContact CG2-O 3.45Å
198K85.2Confident71.7Confident91 Ų9168 Ų6840%0.39636%0.356SS..SBendtrans-133139.3-175.6-71.7169.6-174.8160.80112.8A169 L222 D233A169-K198 WeakPolarHBondContact CB-O 3.43Å; K198-L222 HydrophobicContact CB-CD2 4.13Å; K198-L222 HydrophobicContact CD-CD2 4.28Å; K198-L222 HydrophobicContact CG-CD2 4.12Å; K198-D233 IonicContact NZ-OD1 2.66Å; K198-D233 IonicContact NZ-OD2 3.29Å; K198-D233 PolarHBondContact NZ-OD2 2.98Å
199P91.8Very high74Confident6 Ų668.8 Ų68.84%0.03935%0.354CS..  trans-76.3155.7172.133.8-35.4000111F168 I219 M221 L222 F330F168-P199 HydrophobicContact CB-CB 4.09Å; P199-I219 HydrophobicContact CB-CD1 4.47Å; P199-I219 HydrophobicContact CG-CD1 4.2Å; P199-I219 HydrophobicContact CG-CG2 4.01Å; P199-M221 HydrophobicContact CG-SD 4.11Å; P199-L222 HydrophobicContact CG-CD1 4.36Å; P199-L222 WeakPolarHBondContact O-CD1 3.17Å; P199-F330 HydrophobicContact CB-CD1 3.93Å; P199-F330 HydrophobicContact CB-CD2 4.34Å; P199-F330 HydrophobicContact CB-CE1 3.59Å; P199-F330 HydrophobicContact CB-CE2 4.01Å; P199-F330 HydrophobicContact CB-CG 4.3Å; P199-F330 HydrophobicContact CB-CZ 3.63Å; P199-F330 HydrophobicContact CG-CB 4.43Å; P199-F330 HydrophobicContact CG-CD1 3.94Å; P199-F330 HydrophobicContact CG-CD2 3.99Å; P199-F330 HydrophobicContact CG-CE1 4.11Å; P199-F330 HydrophobicContact CG-CE2 4.14Å; P199-F330 HydrophobicContact CG-CG 3.89Å; P199-F330 HydrophobicContact CG-CZ 4.2Å
200D91.3Very high76.5Confident32 Ų3265.3 Ų65.317%0.17135%0.348CS..  trans-101.3119.1176.2-172.8-24.5000109.6F168 S170 S202 I203 V204F168-D200 WeakPolarHBondContact O-CB 3.29Å; F168-D200 PolarHBondContact O-N 3.37Å; S170-D200 WeakPolarHBondContact OG-CB 3.34Å; S170-D200 PolarHBondContact OG-OD2 2.97Å; D200-S202 PolarHBondContact O-N 3.4Å; D200-S202 VanDerWaalsContact O-N 3.13Å; D200-S202 WeakPolarHBondContact OD1-CA 3.49Å; D200-S202 WeakPolarHBondContact OD1-CB 3.15Å; D200-S202 PolarHBondContact OD1-N 3.35Å; D200-S202 PolarHBondContact OD1-OG 3.38Å; D200-I203 HydrophobicContact CB-CB 4.17Å; D200-I203 HydrophobicContact CB-CD1 3.92Å; D200-I203 HydrophobicContact CB-CG1 4Å; D200-I203 PolarHBondContact O-N 3.4Å; D200-I203 VanDerWaalsContact O-N 3.09Å; D200-V204 PolarHBondContact O-N 3.09Å; D200-V204 VanDerWaalsContact O-N 3.1Å
201P93.5Very high79Confident59 Ų5959.7 Ų59.738%0.38332%0.319SS..Hα-helixtrans-54.1-29.7175.2-25.734.3000113.7K205 I219 L222P201-K205 WeakPolarHBondContact O-CB 3.3Å; P201-K205 PolarHBondContact O-N 3.04Å; P201-I219 HydrophobicContact CB-CD1 4.41Å; P201-I219 HydrophobicContact CG-CD1 4.15Å; P201-L222 HydrophobicContact CG-CD1 3.88Å
202S93.6Very high81.6Confident79 Ų7957.4 Ų57.455%0.55231%0.306SS*.Hα-helixtrans-67.4-39.1179.2-35.30000111.7D200 K205 E206D200-S202 PolarHBondContact O-N 3.4Å; D200-S202 VanDerWaalsContact O-N 3.13Å; D200-S202 WeakPolarHBondContact OD1-CA 3.49Å; D200-S202 WeakPolarHBondContact OD1-CB 3.15Å; D200-S202 PolarHBondContact OD1-N 3.35Å; D200-S202 PolarHBondContact OD1-OG 3.38Å; S202-K205 WeakPolarHBondContact O-CB 3.46Å; S202-K205 PolarHBondContact O-N 3.23Å; S202-E206 PolarHBondContact O-N 3.12Å
203I93.8Very high84.2Confident10 Ų1060 Ų605%0.05131%0.314CS..Hα-helixtrans-77.8-35.2179.8-64.4176.4000110.5L24 F168 D200 K205 E206 A207L24-I203 HydrophobicContact CD1-CG2 3.64Å; L24-I203 WeakPolarHBondContact CD1-O 3.46Å; L24-I203 HydrophobicContact CD2-CG2 3.79Å; L24-I203 HydrophobicContact CG-CG2 4.33Å; F168-I203 HydrophobicContact CB-CG2 4.33Å; F168-I203 HydrophobicContact CD1-CG2 4.17Å; D200-I203 HydrophobicContact CB-CB 4.17Å; D200-I203 HydrophobicContact CB-CD1 3.92Å; D200-I203 HydrophobicContact CB-CG1 4Å; D200-I203 PolarHBondContact O-N 3.4Å; D200-I203 VanDerWaalsContact O-N 3.09Å; I203-K205 VanDerWaalsContact C-N 3.27Å; I203-K205 PolarHBondContact O-N 3.17Å; I203-E206 PolarHBondContact O-N 2.78Å; I203-A207 WeakPolarHBondContact O-CB 3.42Å; I203-A207 PolarHBondContact O-N 2.64Å
204V95.8Very high86.9Confident0 Ų054.1 Ų54.10%028%0.283CS..Hα-helixtrans-61-40.2167.6179.50000110.2F168 D200 F208 I217 I219 F330 A332 V334F168-V204 HydrophobicContact CB-CG2 4.04Å; F168-V204 HydrophobicContact CD1-CB 4.44Å; F168-V204 HydrophobicContact CD1-CG2 3.72Å; F168-V204 HydrophobicContact CE1-CG2 4.49Å; F168-V204 HydrophobicContact CG-CG2 4.08Å; D200-V204 PolarHBondContact O-N 3.09Å; D200-V204 VanDerWaalsContact O-N 3.1Å; V204-F208 HydrophobicContact CG1-CD2 4.02Å; V204-F208 HydrophobicContact CG1-CE2 4.43Å; V204-F208 WeakPolarHBondContact O-CD2 3.25Å; V204-F208 PolarHBondContact O-N 3.27Å; V204-I217 HydrophobicContact CG1-CD1 4.37Å; V204-I217 HydrophobicContact CG1-CG2 4.21Å; V204-I219 HydrophobicContact CB-CD1 4.48Å; V204-I219 HydrophobicContact CG2-CD1 3.88Å; V204-F330 HydrophobicContact CG2-CE2 3.82Å; V204-F330 HydrophobicContact CG2-CZ 3.75Å; V204-A332 HydrophobicContact CG1-CB 4.26Å; V204-V334 HydrophobicContact CG1-CG2 4.22Å
205K96.5Very high89.4Confident86 Ų8655.1 Ų55.137%0.37428%0.277SS..Hα-helixtrans-61.4-54.4174.5-164.7-177.7-179.7-166.60112.1P201 S202 I203 A207 F208 E209 I214 I217P201-K205 WeakPolarHBondContact O-CB 3.3Å; P201-K205 PolarHBondContact O-N 3.04Å; S202-K205 WeakPolarHBondContact O-CB 3.46Å; S202-K205 PolarHBondContact O-N 3.23Å; I203-K205 VanDerWaalsContact C-N 3.27Å; I203-K205 PolarHBondContact O-N 3.17Å; K205-A207 VanDerWaalsContact C-N 3.28Å; K205-A207 PolarHBondContact O-N 3.44Å; K205-F208 PolarHBondContact O-N 3.39Å; K205-E209 WeakPolarHBondContact CE-OE2 3.46Å; K205-E209 IonicContact NZ-OE2 2.9Å; K205-E209 WeakPolarHBondContact O-CB 3.45Å; K205-E209 PolarHBondContact O-N 3.09Å; K205-I214 HydrophobicContact CG-CB 4.43Å; K205-I214 HydrophobicContact CG-CD1 4.01Å; K205-I217 VanDerWaalsContact CA-CD1 3.48Å; K205-I217 HydrophobicContact CB-CD1 3.54Å; K205-I217 HydrophobicContact CG-CD1 3.91Å
206E95.1Very high91.7Very high86 Ų8654.1 Ų54.140%0.40227%0.269SS..Hα-helixtrans-55.6-42.4-179.9-175-173.6158.100112.1T23 L24 S202 I203T23-E206 WeakPolarHBondContact CB-OE1 3.28Å; T23-E206 PolarHBondContact OG1-OE1 2.79Å; L24-E206 HydrophobicContact CD1-CB 4.2Å; L24-E206 HydrophobicContact CD1-CG 4.27Å; L24-E206 HydrophobicContact CG-CG 4.42Å; S202-E206 PolarHBondContact O-N 3.12Å; I203-E206 PolarHBondContact O-N 2.78Å
207A95.3Very high93.7Very high0 Ų053.8 Ų53.80%027%0.268CS..Hα-helixtrans-61.8-46.3178.200000113.1F20 L24 L26 F168 I203 K205 V210F20-A207 WeakPolarHBondContact CE2-O 3.26Å; F20-A207 HydrophobicContact CZ-CB 4.25Å; F20-A207 VanDerWaalsContact CZ-O 3.22Å; F20-A207 WeakPolarHBondContact CZ-O 3.27Å; L24-A207 HydrophobicContact CD1-CB 3.76Å; L26-A207 HydrophobicContact CD1-CB 4.12Å; F168-A207 HydrophobicContact CD1-CB 4.48Å; F168-A207 HydrophobicContact CE1-CB 3.75Å; I203-A207 WeakPolarHBondContact O-CB 3.42Å; I203-A207 PolarHBondContact O-N 2.64Å; K205-A207 VanDerWaalsContact C-N 3.28Å; K205-A207 PolarHBondContact O-N 3.44Å; A207-V210 WeakPolarHBondContact O-CG2 3.29Å
208F96.8Very high95Very high0 Ų047.2 Ų47.20%024%0.238CC..Hα-helixtrans-95.2-16.5-170.4-71.1-77.5000114.2F20 L158 L160 L163 F168 V204 K205 V210 F211 I214 V334 Y336 L349F20-F208 HydrophobicContact CE1-CE1 4.34Å; F20-F208 HydrophobicContact CE1-CZ 4.31Å; F20-F208 HydrophobicContact CE2-CD1 4.49Å; F20-F208 AromaticContact CZ-CD1 3.89Å; F20-F208 HydrophobicContact CZ-CD1 3.89Å; F20-F208 AromaticContact CZ-CE1 3.66Å; F20-F208 HydrophobicContact CZ-CE1 3.66Å; F20-F208 HydrophobicContact CZ-CG 4.39Å; F20-F208 AromaticContact CZ-CZ 3.98Å; F20-F208 HydrophobicContact CZ-CZ 3.98Å; L158-F208 HydrophobicContact CD2-CD1 4.47Å; L160-F208 HydrophobicContact CD1-CD1 3.95Å; L160-F208 HydrophobicContact CD1-CD2 4.02Å; L160-F208 HydrophobicContact CD1-CE1 3.56Å; L160-F208 HydrophobicContact CD1-CE2 3.64Å; L160-F208 HydrophobicContact CD1-CG 4.2Å; L160-F208 HydrophobicContact CD1-CZ 3.41Å; L160-F208 VanDerWaalsContact CD1-CZ 3.41Å; L160-F208 HydrophobicContact CD2-CE1 4.18Å; L160-F208 HydrophobicContact CD2-CZ 4.35Å; L160-F208 HydrophobicContact CG-CZ 4.5Å; L163-F208 HydrophobicContact CD2-CE2 4.46Å; L163-F208 HydrophobicContact CD2-CZ 4.18Å; F168-F208 AromaticContact CE1-CE2 3.95Å; F168-F208 HydrophobicContact CE1-CE2 3.95Å; F168-F208 HydrophobicContact CZ-CE2 4.14Å; V204-F208 HydrophobicContact CG1-CD2 4.02Å; V204-F208 HydrophobicContact CG1-CE2 4.43Å; V204-F208 WeakPolarHBondContact O-CD2 3.25Å; V204-F208 PolarHBondContact O-N 3.27Å; K205-F208 PolarHBondContact O-N 3.39Å; F208-V210 PolarHBondContact O-N 2.67Å; F208-V210 VanDerWaalsContact O-N 3.15Å; F208-F211 HydrophobicContact CD1-CD2 4.13Å; F208-F211 AromaticContact CD1-CE2 3.83Å; F208-F211 HydrophobicContact CD1-CE2 3.83Å; F208-F211 HydrophobicContact CE1-CE2 4.28Å; F208-F211 PolarHBondContact O-N 2.72Å; F208-F211 VanDerWaalsContact O-N 3.15Å; F208-I214 HydrophobicContact CB-CD1 4Å; F208-V334 HydrophobicContact CB-CG1 4.19Å; F208-Y336 PolarHBondContact O-OH 3.47Å; F208-L349 HydrophobicContact CD1-CD1 4.25Å; F208-L349 HydrophobicContact CE1-CD1 3.78Å; F208-L349 HydrophobicContact CE1-CD2 4.26Å
209E96.2Very high95.5Very high68 Ų6843.2 Ų43.232%0.31822%0.221SC..THydrogen-bonded Turntrans-65.7-16175.9-170.4143-122.500112.7K205 F211 G212 I214K205-E209 WeakPolarHBondContact CE-OE2 3.46Å; K205-E209 IonicContact NZ-OE2 2.9Å; K205-E209 WeakPolarHBondContact O-CB 3.45Å; K205-E209 PolarHBondContact O-N 3.09Å; E209-F211 PolarHBondContact O-N 2.94Å; E209-G212 WeakPolarHBondContact CA-O 3.21Å; E209-G212 CarbonylContact O-C 3.53Å; E209-G212 PolarHBondContact O-N 2.99Å; E209-G212 VanDerWaalsContact O-N 3.09Å; E209-I214 HydrophobicContact CB-CD1 3.99Å; E209-I214 HydrophobicContact CB-CG1 4.28Å; E209-I214 PolarHBondContact OE1-N 3.24Å; E209-I214 VanDerWaalsContact OE1-N 3.08Å
210V95.6Very high95.7Very high79 Ų7944.2 Ų44.248%0.47923%0.227SC..THydrogen-bonded Turntrans-53.9-34.7169.5179.60000112.6A207 F208A207-V210 WeakPolarHBondContact O-CG2 3.29Å; F208-V210 PolarHBondContact O-N 2.67Å; F208-V210 VanDerWaalsContact O-N 3.15Å
211F96Very high95.7Very high1 Ų145.5 Ų45.50%0.00423%0.233CC..THydrogen-bonded Turntrans-78.8-29.2178.7-59.4-61.3000112.7F20 F208 E209 Y336 R344 A345 M348 L349F20-F211 HydrophobicContact CD2-CE2 4.13Å; F20-F211 AromaticContact CD2-CZ 3.75Å; F20-F211 HydrophobicContact CD2-CZ 3.75Å; F20-F211 HydrophobicContact CE2-CD2 4.29Å; F20-F211 HydrophobicContact CE2-CE1 4.47Å; F20-F211 AromaticContact CE2-CE2 3.32Å; F20-F211 HydrophobicContact CE2-CE2 3.32Å; F20-F211 AromaticContact CE2-CZ 3.43Å; F20-F211 HydrophobicContact CE2-CZ 3.43Å; F20-F211 VanDerWaalsContact CE2-CZ 3.43Å; F20-F211 AromaticContact CZ-CE2 3.97Å; F20-F211 HydrophobicContact CZ-CE2 3.97Å; F20-F211 HydrophobicContact CZ-CZ 4.33Å; F208-F211 HydrophobicContact CD1-CD2 4.13Å; F208-F211 AromaticContact CD1-CE2 3.83Å; F208-F211 HydrophobicContact CD1-CE2 3.83Å; F208-F211 HydrophobicContact CE1-CE2 4.28Å; F208-F211 PolarHBondContact O-N 2.72Å; F208-F211 VanDerWaalsContact O-N 3.15Å; E209-F211 PolarHBondContact O-N 2.94Å; F211-Y336 HydrophobicContact CB-CE1 4.13Å; F211-R344 HydrophobicContact CD1-CG 4.16Å; F211-R344 WeakPolarHBondContact O-CD 3.33Å; F211-R344 PolarHBondContact O-NH1 2.99Å; F211-A345 HydrophobicContact CB-CB 3.83Å; F211-A345 HydrophobicContact CD1-CB 4.38Å; F211-A345 HydrophobicContact CD2-CB 3.59Å; F211-A345 HydrophobicContact CE2-CB 4.24Å; F211-A345 HydrophobicContact CG-CB 3.67Å; F211-M348 HydrophobicContact CD1-CB 4.34Å; F211-M348 HydrophobicContact CD1-SD 3.92Å; F211-M348 HydrophobicContact CE1-CB 3.62Å; F211-M348 HydrophobicContact CE1-CE 4Å; F211-M348 HydrophobicContact CE1-CG 4.2Å; F211-M348 HydrophobicContact CE1-SD 3.73Å; F211-M348 HydrophobicContact CZ-CB 4.34Å; F211-L349 HydrophobicContact CE2-CD1 3.83Å; F211-L349 HydrophobicContact CE2-CD2 3.91Å; F211-L349 HydrophobicContact CE2-CG 3.87Å; F211-L349 HydrophobicContact CZ-CD1 4.22Å; F211-L349 HydrophobicContact CZ-CD2 3.68Å; F211-L349 HydrophobicContact CZ-CG 3.73Å
212G96.5Very high95.7Very high17 Ų1744.6 Ų44.618%0.17523%0.225CC..SBendtrans166.9165-179.600000111.2E209 I214 Y336E209-G212 WeakPolarHBondContact CA-O 3.21Å; E209-G212 CarbonylContact O-C 3.53Å; E209-G212 PolarHBondContact O-N 2.99Å; E209-G212 VanDerWaalsContact O-N 3.09Å; G212-I214 PolarHBondContact O-N 2.74Å; G212-Y336 WeakPolarHBondContact O-CD1 3.34Å; G212-Y336 VanDerWaalsContact O-CE1 3.31Å; G212-Y336 WeakPolarHBondContact O-CE1 3.3Å
213K97.7Very high95.6Very high135 Ų13541 Ų4159%0.58720%0.2SC*.  trans-61130.1-176.2-174173.9171-164.70111.8M337K213-M337 HydrophobicContact CB-CG 4.38Å; K213-M337 HydrophobicContact CB-SD 4.46Å; K213-M337 HydrophobicContact CD-CG 4.4Å; K213-M337 HydrophobicContact CD-SD 3.49Å; K213-M337 WeakPolarHBondContact CD-SD 3.37Å; K213-M337 WeakPolarHBondContact CE-SD 3.26Å; K213-M337 HydrophobicContact CG-CG 4.15Å; K213-M337 HydrophobicContact CG-SD 3.87Å; K213-M337 PolarHBondContact O-N 3.38Å
214I97.8Very high95.6Very high11 Ų1140.6 Ų40.66%0.05620%0.197CC..EExtended strand (participates in β ladder)trans-88.3139.1-179.2-66.3173.4000110.1K205 F208 E209 G212 I217 V334 Y336K205-I214 HydrophobicContact CG-CB 4.43Å; K205-I214 HydrophobicContact CG-CD1 4.01Å; F208-I214 HydrophobicContact CB-CD1 4Å; E209-I214 HydrophobicContact CB-CD1 3.99Å; E209-I214 HydrophobicContact CB-CG1 4.28Å; E209-I214 PolarHBondContact OE1-N 3.24Å; E209-I214 VanDerWaalsContact OE1-N 3.08Å; G212-I214 PolarHBondContact O-N 2.74Å; I214-I217 HydrophobicContact CD1-CD1 4.16Å; I214-I217 HydrophobicContact CG2-CD1 4.04Å; I214-I217 HydrophobicContact CG2-CG1 3.61Å; I214-V334 HydrophobicContact CD1-CG1 3.62Å; I214-V334 HydrophobicContact CG1-CG1 3.87Å; I214-V334 HydrophobicContact CG2-CG1 4.29Å; I214-Y336 HydrophobicContact CG1-CD1 4.23Å; I214-Y336 HydrophobicContact CG1-CE1 4.01Å
215R96.6Very high95.6Very high107 Ų10741.8 Ų41.840%0.40421%0.206SC..EExtended strand (participates in β ladder)trans-92.7-50.6175.9-178.7-177.5-65.1-102.10.8111.4Q335 M337R215-Q335 HydrophobicContact CB-CG 4.15Å; R215-Q335 WeakPolarHBondContact CB-O 3.1Å; R215-Q335 PolarHBondContact N-O 2.84Å; R215-M337 HydrophobicContact CB-CG 4.12Å; R215-M337 PolarHBondContact NH2-O 2.9Å; R215-M337 VanDerWaalsContact NH2-O 3.16Å
216E96.1Very high95.4Very high81 Ų8140.6 Ų40.638%0.37920%0.202SC..EExtended strand (participates in β ladder)trans-150.7150.1-174.7-171.958-8200110.8Q335 L390 I395E216-Q335 HydrophobicContact CB-CB 4.31Å; E216-Q335 PolarHBondContact N-O 3.38Å; E216-Q335 PolarHBondContact O-N 3.17Å; E216-L390 HydrophobicContact CB-CD1 4.39Å; E216-L390 HydrophobicContact CG-CD1 4.42Å; E216-L390 HydrophobicContact CG-CD2 4.05Å; E216-I395 HydrophobicContact CG-CD1 4.06Å
217I97.3Very high95.3Very high29 Ų2938.8 Ų38.815%0.14919%0.194CC..EExtended strand (participates in β ladder)trans-133.5133.2173.4-56.7-177.3000109.8V204 K205 I214 I219 Y333 V334V204-I217 HydrophobicContact CG1-CD1 4.37Å; V204-I217 HydrophobicContact CG1-CG2 4.21Å; K205-I217 VanDerWaalsContact CA-CD1 3.48Å; K205-I217 HydrophobicContact CB-CD1 3.54Å; K205-I217 HydrophobicContact CG-CD1 3.91Å; I214-I217 HydrophobicContact CD1-CD1 4.16Å; I214-I217 HydrophobicContact CG2-CD1 4.04Å; I214-I217 HydrophobicContact CG2-CG1 3.61Å; I217-I219 HydrophobicContact CG2-CG1 4.31Å; I217-Y333 WeakPolarHBondContact CA-O 3.44Å; I217-V334 HydrophobicContact CG2-CG2 4.5Å
218D97Very high95Very high14 Ų1442.7 Ų42.78%0.07522%0.22CC..EExtended strand (participates in β ladder)trans-122.9138.7167.2-177.776.8000112P220 Q226 A332 Y333 H389 L390 R398D218-P220 WeakPolarHBondContact OD2-CD 3.2Å; D218-P220 WeakPolarHBondContact OD2-CG 3.46Å; D218-Q226 PolarHBondContact OD1-NE2 3.08Å; D218-Q226 PolarHBondContact OD2-NE2 2.85Å; D218-Q226 PolarHBondContact OD2-OE1 2.9Å; D218-A332 WeakPolarHBondContact O-CA 3.22Å; D218-Y333 PolarHBondContact N-O 3.37Å; D218-Y333 PolarHBondContact O-N 3.27Å; D218-H389 IonicContact OD2-CD2 3.45Å; D218-H389 IonicContact OD2-CE1 3.28Å; D218-H389 IonicContact OD2-NE2 2.64Å; D218-H389 PolarHBondContact OD2-NE2 3.08Å; D218-L390 HydrophobicContact CB-CD2 3.69Å; D218-R398 IonicContact OD1-NH1 3.38Å; D218-R398 PolarHBondContact OD1-NH1 3.36Å; D218-R398 IonicContact OD2-NH1 3.3Å; D218-R398 PolarHBondContact OD2-NH1 3.13Å
219I96.1Very high94.5Very high7 Ų749.7 Ų49.74%0.03626%0.257CS..  trans-12497.7172.9-57.3-179.7000106.2P199 P201 V204 I217 M221 L222 F330 A332P199-I219 HydrophobicContact CB-CD1 4.47Å; P199-I219 HydrophobicContact CG-CD1 4.2Å; P199-I219 HydrophobicContact CG-CG2 4.01Å; P201-I219 HydrophobicContact CB-CD1 4.41Å; P201-I219 HydrophobicContact CG-CD1 4.15Å; V204-I219 HydrophobicContact CB-CD1 4.48Å; V204-I219 HydrophobicContact CG2-CD1 3.88Å; I217-I219 HydrophobicContact CG2-CG1 4.31Å; I219-M221 HydrophobicContact CG2-CG 4.04Å; I219-M221 HydrophobicContact CG2-SD 4.39Å; I219-M221 PolarHBondContact O-N 3.4Å; I219-L222 HydrophobicContact CB-CD1 3.99Å; I219-L222 HydrophobicContact CB-CG 4.17Å; I219-L222 HydrophobicContact CD1-CD1 4.05Å; I219-L222 HydrophobicContact CG2-CD1 4.05Å; I219-L222 HydrophobicContact CG2-CG 3.92Å; I219-L222 PolarHBondContact O-N 3.32Å; I219-F330 HydrophobicContact CD1-CD2 4.47Å; I219-F330 HydrophobicContact CD1-CE2 4.08Å; I219-F330 HydrophobicContact CG2-CD2 3.86Å; I219-F330 HydrophobicContact CG2-CE2 4.49Å; I219-A332 HydrophobicContact CG1-CB 4.31Å
220P95Very high94.2Very high28 Ų2846.9 Ų46.918%0.18225%0.245CC..G310 helixtrans-54-28.1-169.6-31.835.6000115.7D218 L222 D223 Q226 N227 I331 Y333D218-P220 WeakPolarHBondContact OD2-CD 3.2Å; D218-P220 WeakPolarHBondContact OD2-CG 3.46Å; P220-L222 VanDerWaalsContact C-N 3.26Å; P220-L222 PolarHBondContact O-N 2.64Å; P220-D223 PolarHBondContact O-N 2.73Å; P220-Q226 HydrophobicContact CB-CB 4.23Å; P220-N227 WeakPolarHBondContact O-CB 3.28Å; P220-I331 WeakPolarHBondContact CD-O 3.32Å; P220-Y333 HydrophobicContact CG-CD2 4.16Å; P220-Y333 HydrophobicContact CG-CE2 3.89Å
221M91.9Very high93.9Very high58 Ų5844.2 Ų44.229%0.28623%0.228SC..G310 helixtrans-72.3-16178.787-162.7-55.400114.2I165 P199 I219 N227 C230 F330I165-M221 HydrophobicContact CD1-CE 3.86Å; I165-M221 HydrophobicContact CD1-SD 4.5Å; P199-M221 HydrophobicContact CG-SD 4.11Å; I219-M221 HydrophobicContact CG2-CG 4.04Å; I219-M221 HydrophobicContact CG2-SD 4.39Å; I219-M221 PolarHBondContact O-N 3.4Å; M221-N227 PolarHBondContact O-ND2 2.85Å; M221-C230 PolarHBondContact O-SG 3.07Å; M221-C230 VanDerWaalsContact O-SG 3.38Å; M221-F330 HydrophobicContact CE-CB 4.49Å; M221-F330 HydrophobicContact SD-CB 3.4Å; M221-F330 WeakPolarHBondContact SD-CB 3.05Å; M221-F330 HydrophobicContact SD-CG 4.39Å
222L92.4Very high93.5Very high40 Ų4048.7 Ų48.721%0.20925%0.249CC..G310 helixtrans-99-10.3179.5-57.9-177.9000112.9K198 P199 P201 I219 P220 C230K198-L222 HydrophobicContact CB-CD2 4.13Å; K198-L222 HydrophobicContact CD-CD2 4.28Å; K198-L222 HydrophobicContact CG-CD2 4.12Å; P199-L222 HydrophobicContact CG-CD1 4.36Å; P199-L222 WeakPolarHBondContact O-CD1 3.17Å; P201-L222 HydrophobicContact CG-CD1 3.88Å; I219-L222 HydrophobicContact CB-CD1 3.99Å; I219-L222 HydrophobicContact CB-CG 4.17Å; I219-L222 HydrophobicContact CD1-CD1 4.05Å; I219-L222 HydrophobicContact CG2-CD1 4.05Å; I219-L222 HydrophobicContact CG2-CG 3.92Å; I219-L222 PolarHBondContact O-N 3.32Å; P220-L222 VanDerWaalsContact C-N 3.26Å; P220-L222 PolarHBondContact O-N 2.64Å; L222-C230 VanDerWaalsContact C-SG 3.53Å
223D92.7Very high93Very high5 Ų551.4 Ų51.43%0.02726%0.259CS..  trans-100.7114.3-179.2176.511.6000111.2P220 S225 Q226 N227 R398 R402P220-D223 PolarHBondContact O-N 2.73Å; D223-S225 VanDerWaalsContact CG-OG 3.25Å; D223-S225 PolarHBondContact O-N 2.84Å; D223-S225 WeakPolarHBondContact OD1-CB 3.39Å; D223-S225 PolarHBondContact OD1-N 3.39Å; D223-S225 PolarHBondContact OD1-OG 3.47Å; D223-S225 PolarHBondContact OD2-OG 2.78Å; D223-Q226 HydrophobicContact CB-CB 4.46Å; D223-Q226 HydrophobicContact CB-CG 4.41Å; D223-Q226 PolarHBondContact O-N 3.43Å; D223-Q226 PolarHBondContact OD2-NE2 3.12Å; D223-N227 PolarHBondContact O-N 2.94Å; D223-R398 IonicContact OD2-NH1 3.94Å; D223-R402 IonicContact OD1-CZ 3.54Å; D223-R402 IonicContact OD1-NE 3.64Å; D223-R402 PolarHBondContact OD1-NE 2.99Å; D223-R402 IonicContact OD1-NH2 2.7Å; D223-R402 PolarHBondContact OD1-NH2 2.93Å; D223-R402 VanDerWaalsContact OD1-NH2 3.08Å; D223-R402 IonicContact OD2-CZ 2.81Å; D223-R402 IonicContact OD2-NE 3.84Å; D223-R402 IonicContact OD2-NH2 2.67Å; D223-R402 PolarHBondContact OD2-NH2 2.86Å
224P94.1Very high92.6Very high0 Ų047.9 Ų47.90%024%0.243CC..THydrogen-bonded Turntrans-58.5-20.6177.7-25.735.5000114.9Q226 N227 L231 Y234 L405P224-Q226 PolarHBondContact O-N 3.13Å; P224-N227 WeakPolarHBondContact CA-O 3.18Å; P224-L231 HydrophobicContact CB-CB 4.06Å; P224-L231 HydrophobicContact CB-CD1 3.69Å; P224-L231 HydrophobicContact CB-CG 4.44Å; P224-L231 HydrophobicContact CG-CB 4.44Å; P224-L231 HydrophobicContact CG-CD1 4.02Å; P224-Y234 VanDerWaalsContact CG-CB 3.47Å; P224-Y234 HydrophobicContact CG-CD1 3.75Å; P224-Y234 HydrophobicContact CG-CD2 4.02Å; P224-Y234 HydrophobicContact CG-CG 3.46Å; P224-Y234 VanDerWaalsContact CG-CG 3.46Å; P224-L405 HydrophobicContact CB-CD1 4.28Å; P224-L405 WeakPolarHBondContact O-CD1 3.27Å
225S94Very high92.1Very high26 Ų2648.2 Ų48.218%0.18224%0.244CC..THydrogen-bonded Turntrans-70.8-19.2175.690.70000113.5D223 R398D223-S225 VanDerWaalsContact CG-OG 3.25Å; D223-S225 PolarHBondContact O-N 2.84Å; D223-S225 WeakPolarHBondContact OD1-CB 3.39Å; D223-S225 PolarHBondContact OD1-N 3.39Å; D223-S225 PolarHBondContact OD1-OG 3.47Å; D223-S225 PolarHBondContact OD2-OG 2.78Å; S225-R398 WeakPolarHBondContact OG-CB 3.49Å; S225-R398 WeakPolarHBondContact OG-CG 3.38Å
226Q93.6Very high91.5Very high61 Ų6146.3 Ų46.329%0.28524%0.242SC..THydrogen-bonded Turntrans-116.7-37.1-176.9-60.4177.977.700112.1D218 P220 D223 P224 H389D218-Q226 PolarHBondContact OD1-NE2 3.08Å; D218-Q226 PolarHBondContact OD2-NE2 2.85Å; D218-Q226 PolarHBondContact OD2-OE1 2.9Å; P220-Q226 HydrophobicContact CB-CB 4.23Å; D223-Q226 HydrophobicContact CB-CB 4.46Å; D223-Q226 HydrophobicContact CB-CG 4.41Å; D223-Q226 PolarHBondContact O-N 3.43Å; D223-Q226 PolarHBondContact OD2-NE2 3.12Å; P224-Q226 PolarHBondContact O-N 3.13Å; Q226-H389 PolarHBondContact OE1-CE1 2.75Å; Q226-H389 PolarHBondContact OE1-NE2 3.36Å
227N92Very high90.8Very high47 Ų4745.8 Ų45.825%0.25125%0.247SC..  trans-121.488.2174.217926.2000110.4P220 M221 D223 P224 D229 C230P220-N227 WeakPolarHBondContact O-CB 3.28Å; M221-N227 PolarHBondContact O-ND2 2.85Å; D223-N227 PolarHBondContact O-N 2.94Å; P224-N227 WeakPolarHBondContact CA-O 3.18Å; N227-D229 PolarHBondContact O-N 3.19Å; N227-C230 PolarHBondContact O-N 2.85Å; N227-C230 PolarHBondContact O-SG 3.16Å
228P89.1Confident89.6Confident82 Ų8247.1 Ų47.153%0.53226%0.255SS..G310 helixtrans-57-24.1-177.7-27.436.5000114.8C230 L231P228-C230 VanDerWaalsContact C-N 3.28Å; P228-C230 PolarHBondContact O-N 3.24Å; P228-L231 VanDerWaalsContact O-CB 3.23Å; P228-L231 WeakPolarHBondContact O-CB 3.06Å; P228-L231 PolarHBondContact O-N 3.04Å
229D87.5Confident88Confident148 Ų14850.9 Ų50.979%0.79127%0.272SS*.G310 helixtrans-69.9-22.2-177.4-64.1-18.9000112.8N227 L231N227-D229 PolarHBondContact O-N 3.19Å; D229-L231 VanDerWaalsContact C-N 3.31Å; D229-L231 PolarHBondContact O-N 3.2Å
230C89.5Confident86.2Confident8 Ų854.6 Ų54.65%0.05430%0.295CS..G310 helixtrans-86.56.2176.176.20000114.2M221 L222 N227 P228 E232 D233 Y234M221-C230 PolarHBondContact O-SG 3.07Å; M221-C230 VanDerWaalsContact O-SG 3.38Å; L222-C230 VanDerWaalsContact C-SG 3.53Å; N227-C230 PolarHBondContact O-N 2.85Å; N227-C230 PolarHBondContact O-SG 3.16Å; P228-C230 VanDerWaalsContact C-N 3.28Å; P228-C230 PolarHBondContact O-N 3.24Å; C230-E232 PolarHBondContact O-N 3.22Å; C230-D233 PolarHBondContact O-N 3.19Å; C230-Y234 WeakPolarHBondContact O-CB 3.48Å; C230-Y234 PolarHBondContact O-N 3.39Å
231L89.7Confident84.1Confident24 Ų2459 Ų5913%0.12632%0.317CS..Hα-helixtrans-59.9-47.1-173.5178.958000113.8P224 P228 D229 Y234 I235 L405 L406 A409P224-L231 HydrophobicContact CB-CB 4.06Å; P224-L231 HydrophobicContact CB-CD1 3.69Å; P224-L231 HydrophobicContact CB-CG 4.44Å; P224-L231 HydrophobicContact CG-CB 4.44Å; P224-L231 HydrophobicContact CG-CD1 4.02Å; P228-L231 VanDerWaalsContact O-CB 3.23Å; P228-L231 WeakPolarHBondContact O-CB 3.06Å; P228-L231 PolarHBondContact O-N 3.04Å; D229-L231 VanDerWaalsContact C-N 3.31Å; D229-L231 PolarHBondContact O-N 3.2Å; L231-Y234 PolarHBondContact O-N 2.82Å; L231-I235 HydrophobicContact CD1-CD1 4.07Å; L231-I235 HydrophobicContact CD1-CG1 4.38Å; L231-I235 HydrophobicContact CG-CD1 4.13Å; L231-I235 WeakPolarHBondContact O-CD1 3.49Å; L231-I235 VanDerWaalsContact O-CG1 3.27Å; L231-I235 WeakPolarHBondContact O-CG1 3.33Å; L231-I235 PolarHBondContact O-N 2.88Å; L231-L405 HydrophobicContact CD1-CB 4.1Å; L231-L405 HydrophobicContact CD2-CB 4.2Å; L231-L406 HydrophobicContact CD1-CD2 4.25Å; L231-A409 HydrophobicContact CD2-CB 4.15Å; L231-A409 HydrophobicContact CG-CB 4.41Å
232E87.2Confident81.9Confident94 Ų9461.9 Ų61.944%0.43933%0.333SS..Hα-helixtrans-64.7-42.9179.9-68-62.7155.300111.4C230 Y234 I235 N236 R413C230-E232 PolarHBondContact O-N 3.22Å; E232-Y234 PolarHBondContact O-N 3.47Å; E232-I235 PolarHBondContact O-N 2.97Å; E232-N236 PolarHBondContact O-N 3.5Å; E232-N236 PolarHBondContact O-ND2 3.08Å; E232-N236 PolarHBondContact O-OD1 2.86Å; E232-R413 IonicContact OE2-CZ 2.68Å; E232-R413 IonicContact OE2-NE 3.16Å; E232-R413 PolarHBondContact OE2-NE 2.88Å; E232-R413 VanDerWaalsContact OE2-NE 3.07Å; E232-R413 IonicContact OE2-NH2 2.77Å; E232-R413 PolarHBondContact OE2-NH2 2.73Å
233D85.7Confident79.5Confident74 Ų7463.3 Ų63.340%0.39635%0.346SS..Hα-helixtrans-62.9-43.4177.2-61.1-44.1000111.8K198 C230 I235 N236 S237K198-D233 IonicContact NZ-OD1 2.66Å; K198-D233 IonicContact NZ-OD2 3.29Å; K198-D233 PolarHBondContact NZ-OD2 2.98Å; C230-D233 PolarHBondContact O-N 3.19Å; D233-I235 VanDerWaalsContact C-N 3.29Å; D233-I235 PolarHBondContact O-N 3.41Å; D233-N236 PolarHBondContact O-N 3.32Å; D233-S237 PolarHBondContact O-N 3.31Å; D233-S237 PolarHBondContact O-OG 2.92Å
234Y88.5Confident77.2Confident62 Ų6266.8 Ų66.824%0.24337%0.371CS..Hα-helixtrans-60.4-39177-177.6-89.6000111.6P224 C230 L231 E232 N238 R402 L406P224-Y234 VanDerWaalsContact CG-CB 3.47Å; P224-Y234 HydrophobicContact CG-CD1 3.75Å; P224-Y234 HydrophobicContact CG-CD2 4.02Å; P224-Y234 HydrophobicContact CG-CG 3.46Å; P224-Y234 VanDerWaalsContact CG-CG 3.46Å; C230-Y234 WeakPolarHBondContact O-CB 3.48Å; C230-Y234 PolarHBondContact O-N 3.39Å; L231-Y234 PolarHBondContact O-N 2.82Å; E232-Y234 PolarHBondContact O-N 3.47Å; Y234-N238 WeakPolarHBondContact CD1-ND2 3.33Å; Y234-N238 WeakPolarHBondContact CE1-ND2 3.48Å; Y234-N238 PolarHBondContact O-N 3.28Å; Y234-N238 PolarHBondContact O-ND2 3.35Å; Y234-R402 HydrophobicContact CE1-CG 4.25Å; Y234-R402 WeakPolarHBondContact OH-CD 3.19Å; Y234-L406 HydrophobicContact CD1-CD2 4.17Å; Y234-L406 HydrophobicContact CE1-CD1 4.42Å; Y234-L406 HydrophobicContact CE1-CD2 4.34Å
235I87.6Confident74.2Confident17 Ų1771.5 Ų71.59%0.08740%0.403CS..Hα-helixtrans-65-48.9173.7-62.8158.6000110.1L231 E232 D233 S237 N238 E239 L406 A409 R413L231-I235 HydrophobicContact CD1-CD1 4.07Å; L231-I235 HydrophobicContact CD1-CG1 4.38Å; L231-I235 HydrophobicContact CG-CD1 4.13Å; L231-I235 WeakPolarHBondContact O-CD1 3.49Å; L231-I235 VanDerWaalsContact O-CG1 3.27Å; L231-I235 WeakPolarHBondContact O-CG1 3.33Å; L231-I235 PolarHBondContact O-N 2.88Å; E232-I235 PolarHBondContact O-N 2.97Å; D233-I235 VanDerWaalsContact C-N 3.29Å; D233-I235 PolarHBondContact O-N 3.41Å; I235-S237 VanDerWaalsContact C-N 3.34Å; I235-S237 PolarHBondContact O-N 2.87Å; I235-N238 PolarHBondContact O-N 2.85Å; I235-N238 VanDerWaalsContact O-N 3.07Å; I235-E239 HydrophobicContact CG2-CG 4.41Å; I235-E239 VanDerWaalsContact CG2-OE1 3.31Å; I235-E239 WeakPolarHBondContact CG2-OE1 3.32Å; I235-E239 PolarHBondContact O-N 3.4Å; I235-L406 HydrophobicContact CD1-CD2 4.23Å; I235-L406 HydrophobicContact CG1-CD2 3.49Å; I235-L406 VanDerWaalsContact CG1-CD2 3.49Å; I235-A409 HydrophobicContact CD1-CB 3.54Å; I235-R413 VanDerWaalsContact CG2-NH1 3.3Å
236N84.7Confident71.2Confident68 Ų6877.1 Ų77.136%0.36443%0.431SS..Hα-helixtrans-62.2-37.1-177-60.4-18.6000112.7E232 D233 T240 R413E232-N236 PolarHBondContact O-N 3.5Å; E232-N236 PolarHBondContact O-ND2 3.08Å; E232-N236 PolarHBondContact O-OD1 2.86Å; D233-N236 PolarHBondContact O-N 3.32Å; N236-T240 PolarHBondContact O-N 3.26Å; N236-T240 PolarHBondContact O-OG1 3.1Å; N236-R413 PolarHBondContact OD1-NH2 2.88Å
237S80.2Confident68.3Low69 Ų6980.2 Ų80.248%0.48345%0.454SS..Hα-helixtrans-64.6-40.9172.9-62.70000112.3D233 I235 T240 L241D233-S237 PolarHBondContact O-N 3.31Å; D233-S237 PolarHBondContact O-OG 2.92Å; I235-S237 VanDerWaalsContact C-N 3.34Å; I235-S237 PolarHBondContact O-N 2.87Å; S237-T240 WeakPolarHBondContact O-CB 3.49Å; S237-T240 PolarHBondContact O-N 2.79Å; S237-L241 WeakPolarHBondContact O-CG 3.4Å; S237-L241 PolarHBondContact O-N 3.04Å
238N72.3Confident65.3Low57 Ų5785.3 Ų85.331%0.30548%0.481SS..Hα-helixtrans-69-39.6176.9-77.6-66.6000112.4Y234 I235 T240 L241 N242Y234-N238 WeakPolarHBondContact CD1-ND2 3.33Å; Y234-N238 WeakPolarHBondContact CE1-ND2 3.48Å; Y234-N238 PolarHBondContact O-N 3.28Å; Y234-N238 PolarHBondContact O-ND2 3.35Å; I235-N238 PolarHBondContact O-N 2.85Å; I235-N238 VanDerWaalsContact O-N 3.07Å; N238-T240 VanDerWaalsContact C-N 3.28Å; N238-T240 PolarHBondContact O-N 2.92Å; N238-L241 PolarHBondContact O-N 3.05Å; N238-N242 WeakPolarHBondContact O-CB 3.47Å; N238-N242 VanDerWaalsContact O-CG 3.28Å; N238-N242 PolarHBondContact O-N 3.46Å; N238-N242 PolarHBondContact O-ND2 2.96Å
239E64Low62.4Low94 Ų9490.8 Ų90.844%0.43950%0.496SS..Hα-helixtrans-58.2-42.1171.1-73.6180-145.300111.4I235 N242 S243 R413I235-E239 HydrophobicContact CG2-CG 4.41Å; I235-E239 VanDerWaalsContact CG2-OE1 3.31Å; I235-E239 WeakPolarHBondContact CG2-OE1 3.32Å; I235-E239 PolarHBondContact O-N 3.4Å; E239-N242 PolarHBondContact O-N 2.99Å; E239-S243 PolarHBondContact O-N 3.24Å; E239-R413 IonicContact OE1-CZ 3.17Å; E239-R413 IonicContact OE1-NH1 2.64Å; E239-R413 PolarHBondContact OE1-NH1 2.76Å
240T58Low59.7Low84 Ų8490.3 Ų90.352%0.51550%0.499SS..Hα-helixtrans-61.6-52.1178.6-55.40000111N236 S237 N238 N242 S243 S244N236-T240 PolarHBondContact O-N 3.26Å; N236-T240 PolarHBondContact O-OG1 3.1Å; S237-T240 WeakPolarHBondContact O-CB 3.49Å; S237-T240 PolarHBondContact O-N 2.79Å; N238-T240 VanDerWaalsContact C-N 3.28Å; N238-T240 PolarHBondContact O-N 2.92Å; T240-N242 VanDerWaalsContact C-N 3.34Å; T240-N242 PolarHBondContact O-N 2.63Å; T240-S243 PolarHBondContact O-N 3.22Å; T240-S243 VanDerWaalsContact O-N 3.1Å; T240-S243 PolarHBondContact O-OG 2.95Å; T240-S244 PolarHBondContact O-N 3.25Å; T240-S244 VanDerWaalsContact O-N 3.11Å; T240-S244 PolarHBondContact O-OG 2.86Å
241L51.7Low56.7Low121 Ų12197.6 Ų97.663%0.63454%0.537SS*.Hα-helixtrans-59.2-41.7178.4-70.4170.1000112.7S237 N238 S243 S244S237-L241 WeakPolarHBondContact O-CG 3.4Å; S237-L241 PolarHBondContact O-N 3.04Å; N238-L241 PolarHBondContact O-N 3.05Å; L241-S243 VanDerWaalsContact C-N 3.31Å; L241-S243 PolarHBondContact O-N 2.67Å; L241-S244 PolarHBondContact O-N 3.36Å
242N44.9Very low53.8Low119 Ų119102 Ų10264%0.63657%0.566SS**Hα-helixtrans-66.8-31.6176.9-72-36.1000112.6N238 E239 T240N238-N242 WeakPolarHBondContact O-CB 3.47Å; N238-N242 VanDerWaalsContact O-CG 3.28Å; N238-N242 PolarHBondContact O-N 3.46Å; N238-N242 PolarHBondContact O-ND2 2.96Å; E239-N242 PolarHBondContact O-N 2.99Å; T240-N242 VanDerWaalsContact C-N 3.34Å; T240-N242 PolarHBondContact O-N 2.63Å
243S43.4Very low50.9Low69 Ų69104.3 Ų104.348%0.48359%0.586SS.*Hα-helixtrans-73.5-36.8176.574.40000113.1E239 T240 L241 C245 N246E239-S243 PolarHBondContact O-N 3.24Å; T240-S243 PolarHBondContact O-N 3.22Å; T240-S243 VanDerWaalsContact O-N 3.1Å; T240-S243 PolarHBondContact O-OG 2.95Å; L241-S243 VanDerWaalsContact C-N 3.31Å; L241-S243 PolarHBondContact O-N 2.67Å; S243-C245 PolarHBondContact O-N 2.96Å; S243-C245 VanDerWaalsContact O-N 3.14Å; S243-N246 PolarHBondContact O-N 3.25Å
244S43.2Very low48.3Very low78 Ų78105.9 Ų105.955%0.54560%0.598SS.*Hα-helixtrans-63.9-17.7179.8-59.90000114.4T240 L241 N246T240-S244 PolarHBondContact O-N 3.25Å; T240-S244 VanDerWaalsContact O-N 3.11Å; T240-S244 PolarHBondContact O-OG 2.86Å; L241-S244 PolarHBondContact O-N 3.36Å; S244-N246 PolarHBondContact O-N 3.26Å
245C31.2Very low45.1Very low100 Ų100111.9 Ų111.968%0.67663%0.628SS**THydrogen-bonded Turntrans-66.6-18.9177.3-164.50000113.6S243S243-C245 PolarHBondContact O-N 2.96Å; S243-C245 VanDerWaalsContact O-N 3.14Å
246N32.1Very low42.4Very low143 Ų143120.8 Ų120.877%0.76566%0.662SS**THydrogen-bonded Turntrans-104.36.4-172.6-73.8-43.6000115.7S243 S244S243-N246 PolarHBondContact O-N 3.25Å; S244-N246 PolarHBondContact O-N 3.26Å
247T31.1Very low39.6Very low127 Ų127122.8 Ų122.878%0.77968%0.682SS**  trans-129.566.3-178.2-45.20000112.2
248L30Very low37.1Very low154 Ų154129 Ų12981%0.80670%0.7SS**  trans-99.9141.8167.9-74172.1000110.8
249K28.3Very low35Very low196 Ų196137.7 Ų137.785%0.85273%0.729SS**  trans85.698.2-176-53.7166.2-178.6173.80115.6
250T30.3Very low33.3Very low138 Ų138138.9 Ų138.985%0.84774%0.738SS**  -163.4113.1105.433.60000109
251D26.2Very low32Very low161 Ų161144.2 Ų144.286%0.86176%0.757SS**  trans-74.6132.8167.5-57.1-75.3000110.1
252T29.8Very low30.9Very low118 Ų118144.7 Ų144.772%0.72477%0.771SS**  trans-151.4100.7159.4-57.20000109.8V254T252-V254 HydrophobicContact CG2-CG2 3.96Å
253T25.2Very low30.1Very low142 Ų142142.1 Ų142.187%0.87177%0.772SS**  trans-69.6128.1167.346.30000110.5
254V30.7Very low29.2Very low106 Ų106145.6 Ų145.664%0.64280%0.795SS**  trans-134.8111.3166-169.50000109.3T252 Y256T252-V254 HydrophobicContact CG2-CG2 3.96Å; V254-Y256 HydrophobicContact CG1-CD2 3.66Å; V254-Y256 HydrophobicContact CG1-CE2 3.65Å
255E23Very low28.5Very low188 Ų188147.9 Ų147.988%0.87981%0.806SS**  trans-78.5135.5165.7-64.8-175.2109.100109.9
256Y29.7Very low28.3Very low205 Ų205151.4 Ų151.480%0.80481%0.812SS**  trans-139.4114.8156.5-91.8-69.3000111.1V254V254-Y256 HydrophobicContact CG1-CD2 3.66Å; V254-Y256 HydrophobicContact CG1-CE2 3.65Å
257S26Very low28.2Very low110 Ų110151.6 Ų151.677%0.76981%0.809SS**  trans-99.2124174.449.90000110
258F28.5Very low28.4Very low200 Ų200154 Ų15488%0.87781%0.805SS**  trans-141.8167.5170.4-98.4-72.7000113
259R28Very low28.8Very low239 Ų239151.6 Ų151.690%0.90279%0.792SS**  trans-109.5151.4-145.6-153.4176.9-169.8-179.23.4112.8
260N27.5Very low29.4Very low119 Ų119143 Ų14364%0.63676%0.759SS**  trans-53.8146.4-177.2-72.2-33.2000115.4
261Q30.4Very low29.9Very low196 Ų196138 Ų13892%0.91673%0.734SS**  -155.3161.1127.5-112.1154.7109.500113.7
262S29.5Very low30.7Very low131 Ų131132.7 Ų132.792%0.91670%0.704SS**  trans-45.4148.2-166-162.50000119.4
263G27.4Very low31.2Very low65 Ų65130 Ų13067%0.6770%0.699SS**  trans166.9114.616400000114.1
264C26Very low31.8Very low141 Ų141133.9 Ų133.995%0.95370%0.704SS**  trans-4.8120.4178.7-69.20000119.6
265T27.2Very low32.1Very low127 Ų127135.6 Ų135.678%0.77971%0.708SS**  trans-99.7109.9169.948.40000112.1
266E28.4Very low32.8Very low173 Ų173128 Ų12881%0.80868%0.68SS**  trans-91.896163.3-171.6170.7-138.700108.9Y268E266-Y268 PolarHBondContact O-N 3.03Å; E266-Y268 VanDerWaalsContact O-N 3.1Å
267E29.6Very low33.6Very low148 Ų148119 Ų11969%0.69265%0.647SS**  trans-75.6101.8-177.3-69.4-156.5134.500111.8I269E267-I269 VanDerWaalsContact C-N 3.26Å; E267-I269 HydrophobicContact CB-CG1 4.42Å; E267-I269 PolarHBondContact O-N 3.23Å
268Y34.5Very low34.7Very low176 Ų176122.5 Ų122.569%0.6966%0.657SS**  trans-73.480.1172.2-130.5-88.5000111R177 E266R177-Y268 PolarHBondContact NH1-O 2.95Å; R177-Y268 PolarHBondContact NH2-O 2.95Å; E266-Y268 PolarHBondContact O-N 3.03Å; E266-Y268 VanDerWaalsContact O-N 3.1Å
269I38.8Very low36.1Very low104 Ų104115.7 Ų115.753%0.53363%0.632SS.*  trans-63.2135179.8-63.8170.2000110.8E267 G271 L374E267-I269 VanDerWaalsContact C-N 3.26Å; E267-I269 HydrophobicContact CB-CG1 4.42Å; E267-I269 PolarHBondContact O-N 3.23Å; I269-G271 VanDerWaalsContact C-N 3.26Å; I269-G271 PolarHBondContact O-N 2.94Å; I269-L374 HydrophobicContact CG2-CD1 3.66Å
270G41Very low37.9Very low17 Ų17105.5 Ų105.518%0.17560%0.595CS.*SBendtrans73.3-23.4150.600000119.4F272 Y376G270-F272 PolarHBondContact O-N 2.8Å; G270-Y376 WeakPolarHBondContact CA-OH 3.23Å
271G41Very low39.7Very low31 Ų31101.7 Ų101.732%0.3258%0.584SS.*SBendtrans67.9-13.6164.200000118.2R166 I269R166-G271 PolarHBondContact NH1-O 2.8Å; I269-G271 VanDerWaalsContact C-N 3.26Å; I269-G271 PolarHBondContact O-N 2.94Å
272F43.3Very low41.7Very low50 Ų5095.2 Ų95.222%0.21956%0.555CS.*  trans-88.4113.3158.6-68.3-83.3000108G270 I280G270-F272 PolarHBondContact O-N 2.8Å; F272-I280 HydrophobicContact CE1-CD1 3.81Å; F272-I280 HydrophobicContact CZ-CD1 3.75Å
273G39.8Very low43.4Very low61 Ų6190.5 Ų90.563%0.62952%0.519SS*.  trans-71.1-159.1167.800000111.4I275G273-I275 PolarHBondContact O-N 3.31Å
274K38.6Very low45Very low224 Ų22488.2 Ų88.297%0.97449%0.492SS*.SBendtrans-70.126.4171.3-58.4-174.8-179.4-179.30113.6
275I36.9Very low46.3Very low142 Ų14284.5 Ų84.573%0.72847%0.466SS*.  trans-142.140.9-173.6-36.3177.2000108.9G273 L328G273-I275 PolarHBondContact O-N 3.31Å; I275-L328 VanDerWaalsContact O-CD1 3.28Å; I275-L328 WeakPolarHBondContact O-CD1 3.44Å
276G37.9Very low47.1Very low29 Ų2984.2 Ų84.230%0.29946%0.464SS..SBendtrans-69.7157.314900000108.9
277P46.1Very low47.8Very low17 Ų1779.8 Ų79.811%0.1145%0.445CS..  trans-68.2152.8166.134.2-32.6000108.4T279 I280 L328 T329P277-T279 PolarHBondContact O-N 2.91Å; P277-I280 HydrophobicContact CG-CD1 3.93Å; P277-I280 HydrophobicContact CG-CG1 3.94Å; P277-I280 PolarHBondContact O-N 2.74Å; P277-L328 HydrophobicContact CG-CB 4.33Å; P277-T329 HydrophobicContact CG-CG2 4.46Å
278D49.1Very low48.2Very low183 Ų18379.2 Ų79.298%0.97944%0.443SS*.THydrogen-bonded Turntrans-54.7-15.4177.8-65.9-36.3000113.5
279T57.7Low48Very low56 Ų5678.9 Ų78.934%0.34445%0.447SS..THydrogen-bonded Turntrans-69.5-21.9174.8-15.10000115.1P277 A378 E379P277-T279 PolarHBondContact O-N 2.91Å; T279-A378 WeakPolarHBondContact O-CA 3.36Å; T279-E379 HydrophobicContact CG2-CB 4.29Å; T279-E379 WeakPolarHBondContact CG2-O 3.41Å
280I65.4Low47.4Very low26 Ų2679.2 Ų79.213%0.13346%0.458CS..EExtended strand (participates in β ladder)trans-109.2108-175.3-57.7177000111P164 W167 F272 P277 A377 A378P164-I280 HydrophobicContact CB-CD1 3.83Å; P164-I280 HydrophobicContact CG-CD1 3.92Å; P164-I280 HydrophobicContact CG-CG1 4.29Å; W167-I280 HydrophobicContact CZ2-CG2 4.14Å; F272-I280 HydrophobicContact CE1-CD1 3.81Å; F272-I280 HydrophobicContact CZ-CD1 3.75Å; P277-I280 HydrophobicContact CG-CD1 3.93Å; P277-I280 HydrophobicContact CG-CG1 3.94Å; P277-I280 PolarHBondContact O-N 2.74Å; I280-A377 WeakPolarHBondContact CA-O 3.4Å; I280-A378 HydrophobicContact CG1-CB 4.22Å
281G66.5Low46.7Very low38 Ų3884.8 Ų84.839%0.39249%0.489SS..EExtended strand (participates in β ladder)trans-102.1153.8175.200000113.3Y376 A377G281-Y376 CarbonylContact O-C 3.58Å; G281-Y376 WeakPolarHBondContact O-CA 3.37Å; G281-A377 PolarHBondContact N-O 2.82Å; G281-A377 PolarHBondContact O-N 3.34Å
282I71.9Confident45.9Very low61 Ų6189.1 Ų89.131%0.31351%0.509SS..EExtended strand (participates in β ladder)trans-95125.1169.9-59.3172.5000108.2Y376I282-Y376 HydrophobicContact CD1-CE1 4.35Å; I282-Y376 HydrophobicContact CG1-CD1 3.99Å; I282-Y376 HydrophobicContact CG1-CE1 4.06Å
283L63.8Low45.2Very low31 Ų3194.7 Ų94.716%0.16254%0.541CS..SBendtrans-73.4-38.7-178.3-62.6-178.3000112.5K13 K29 P285 V355 Y375 A377K13-L283 WeakPolarHBondContact CD-O 3.44Å; K29-L283 HydrophobicContact CD-CD1 4.32Å; L283-P285 WeakPolarHBondContact O-CD 3.38Å; L283-V355 HydrophobicContact CD1-CG1 4.21Å; L283-V355 HydrophobicContact CD1-CG2 4.35Å; L283-Y375 PolarHBondContact N-O 2.91Å; L283-A377 HydrophobicContact CD1-CB 4.31Å; L283-A377 HydrophobicContact CD2-CB 3.77Å; L283-A377 HydrophobicContact CG-CB 3.99Å
284N62.7Low44.7Very low17 Ų1797.5 Ų97.59%0.09155%0.551CS.*  trans-110.286.1179-74-1.5000111.2I14 T286I14-N284 WeakPolarHBondContact CD1-ND2 3.25Å; N284-T286 PolarHBondContact O-N 3.16Å
285P51.9Low44.4Very low64 Ų6492.6 Ų92.642%0.41655%0.545SS..G310 helixtrans-75.1-7.7-17930.9-37000114.4L283 I287 Q288L283-P285 WeakPolarHBondContact O-CD 3.38Å; P285-I287 PolarHBondContact O-N 2.91Å; P285-Q288 PolarHBondContact O-N 3.46Å
286T45.4Very low44.3Very low121 Ų12191.1 Ų91.174%0.74255%0.548SS*.G310 helixtrans-57.9-16.1-170-340000115N284N284-T286 PolarHBondContact O-N 3.16Å
287I43.3Very low44.1Very low79 Ų7994.3 Ų94.341%0.40557%0.571SS.*G310 helixtrans-86.4-12.1179.8-60.4178000112.1P285 H289 L374P285-I287 PolarHBondContact O-N 2.91Å; I287-H289 VanDerWaalsContact C-N 3.33Å; I287-H289 PolarHBondContact O-N 3.13Å; I287-H289 VanDerWaalsContact O-N 3.16Å; I287-L374 HydrophobicContact CD1-CD2 4.04Å
288Q37.1Very low43.5Very low137 Ų137101.5 Ų101.564%0.6461%0.608SS**  trans-86.937.4-175.9-65.8-163.4-18.300115.7P285P285-Q288 PolarHBondContact O-N 3.46Å
289H29.3Very low42.8Very low168 Ų16898.8 Ų98.878%0.77860%0.599SS**  trans-134.973.3178.6-73.8-57.6000114.2I287I287-H289 VanDerWaalsContact C-N 3.33Å; I287-H289 PolarHBondContact O-N 3.13Å; I287-H289 VanDerWaalsContact O-N 3.16Å
290S27.3Very low41.7Very low111 Ų111103.8 Ų103.878%0.77662%0.624SS**SBendtrans-143.22.1169.759.90000116.1
291V26Very low40.1Very low134 Ų134111.9 Ų111.981%0.81266%0.658SS**SBendtrans-136.757-177.2-160.80000113.8
292T25Very low38.8Very low123 Ų123116.1 Ų116.176%0.75568%0.681SS**  trans-159114.2156.646.40000110
293N27Very low36.9Very low167 Ų167122.8 Ų122.889%0.89371%0.708SS**  trans-177.885152.8-98-17.9000111.8
294S31.2Very low35.4Very low119 Ų119128.4 Ų128.483%0.83274%0.743SS**  trans-149.965.3165.750.60000110.2S296S294-S296 PolarHBondContact O-N 3.42Å
295S31.5Very low33.9Very low121 Ų121132 Ų13285%0.84677%0.77SS**  trans-76.7102.2176.2550000111.4
296S35Very low33Very low112 Ų112137 Ų13778%0.78379%0.787SS**  trans-108.3116156.356.70000108S294S294-S296 PolarHBondContact O-N 3.42Å
297A33.1Very low32.2Very low96 Ų96137.2 Ų137.279%0.79378%0.783SS**  trans-75.3143.917300000110
298D34.2Very low31.8Very low167 Ų167141.1 Ų141.189%0.89380%0.802SS**  trans-151152.1134.6-119.8-32.4000110.7
299T33.7Very low31.4Very low127 Ų127143.5 Ų143.578%0.77981%0.81SS**  trans-105.9134.8-177.649.40000111.4
300D34.1Very low31.8Very low161 Ų161141.2 Ų141.286%0.86181%0.813SS**  -155.3168.6125.1-136.2-27.7000114.5
301K32.3Very low32.1Very low195 Ų195145.6 Ų145.685%0.84882%0.818SS**  trans-118.2124.9-177.3-62.2166.1-176.7163.20110.9
302S38.3Very low32.3Very low127 Ų127147.9 Ų147.989%0.88882%0.817SS**  trans-148.9148.4150.955.80000112.5
303K32.4Very low32.7Very low202 Ų202147.1 Ų147.188%0.87882%0.817SS**  trans-91.9154.8174.2-56.4165.1-178.8172.10108.4
304V32.9Very low32.8Very low148 Ų148145.5 Ų145.590%0.89781%0.808SS**  -174.2149.8126.6140.50000109.9
305S30.1Very low32.9Very low92 Ų92147 Ų14764%0.64381%0.805SS**  trans-102.7140.7-177.5520000112.9
306H34Very low32.8Very low170 Ų170148.1 Ų148.179%0.78780%0.801SS**  trans-179.3118.7134.6-100.3-74.5000108
307L28.7Very low32.5Very low126 Ų126149 Ų14966%0.6680%0.802SS**  59.8102.289.8-175.472.6000114.1
308M34.4Very low32.2Very low161 Ų161148 Ų14879%0.79379%0.788SS**  -160.2143127.8-102.8-51169.100112.3
309K29.9Very low31.9Very low186 Ų186146.2 Ų146.281%0.80979%0.786SS**  trans-60135.1-169.9-60.2148.4179.9174.30113.4
310S35.8Very low31.7Very low120 Ų120144.7 Ų144.784%0.83978%0.777SS**  trans-122.9164156.3-168.60000110.1
311K35.1Very low31.3Very low204 Ų204145.3 Ų145.389%0.88778%0.78SS**PPolyproline II helixtrans-69.1132.3-167.8-67.3179.2178.5178.80111.9
312K29.1Very low31.3Very low182 Ų182140.6 Ų140.679%0.79177%0.768SS**PPolyproline II helixtrans-74.3122.2169.3-64.4-177.8177.4-174.80110.1
313S34.1Very low31.1Very low107 Ų107138.8 Ų138.875%0.74876%0.755SS**PPolyproline II helixtrans-77.1128.1138.641.90000107.2I315S313-I315 PolarHBondContact O-N 3.37Å
314N28.5Very low31.5Very low133 Ų133135.4 Ų135.471%0.71175%0.751SS**  trans-83.882.6-175.1-78.1-21.3000111.1L316N314-L316 VanDerWaalsContact C-N 3.27Å; N314-L316 PolarHBondContact O-N 2.92Å; N314-L316 VanDerWaalsContact O-N 3.11Å
315I32.8Very low32.1Very low151 Ų151130.1 Ų130.177%0.77473%0.727SS**  trans-76.887.7155.5-57.3178.1000106.6S313S313-I315 PolarHBondContact O-N 3.37Å
316L29.4Very low33.6Very low144 Ų144128.3 Ų128.375%0.75471%0.714SS**  trans-100.2103176.2-175.365.7000109.6N314 S318N314-L316 VanDerWaalsContact C-N 3.27Å; N314-L316 PolarHBondContact O-N 2.92Å; N314-L316 VanDerWaalsContact O-N 3.11Å; L316-S318 VanDerWaalsContact C-N 3.35Å; L316-S318 PolarHBondContact O-N 2.69Å
317T28.8Very low35.3Very low130 Ų130125.8 Ų125.880%0.79871%0.713SS**  trans-75.681175.5380000111.5
318S27.6Very low37.9Very low74 Ų74122.7 Ų122.752%0.51770%0.696SS.*  trans-85.2125.6165.951.50000110.8L316 T320L316-S318 VanDerWaalsContact C-N 3.35Å; L316-S318 PolarHBondContact O-N 2.69Å; S318-T320 VanDerWaalsContact C-N 3.3Å; S318-T320 PolarHBondContact O-N 3.22Å
319P28.9Very low40.6Very low131 Ų131115.5 Ų115.585%0.85166%0.662SS**  trans-78.577.2178.132.6-35000111.2
320T28Very low43.6Very low94 Ų94106.8 Ų106.858%0.57762%0.624SS**  trans-99.3128.716847.10000109.6S318 T322S318-T320 VanDerWaalsContact C-N 3.3Å; S318-T320 PolarHBondContact O-N 3.22Å; T320-T322 PolarHBondContact O-N 2.85Å
321N26.8Very low46.4Very low175 Ų175102 Ų10294%0.93659%0.589SS**SBendtrans-75.568-173.9-71.6-20000113
322T31.1Very low49.3Very low96 Ų9692.3 Ų92.359%0.58955%0.546SS*.  trans-127.3124.5169.9460000107.3T320 V324T320-T322 PolarHBondContact O-N 2.85Å; T322-V324 PolarHBondContact O-N 2.89Å
323S35.8Very low52.6Low89 Ų8985 Ų8562%0.62251%0.514SS*.  trans-75.462-167.6490000114.4I331S323-I331 WeakPolarHBondContact O-CD1 3.38Å
324V40.4Very low55.7Low131 Ų13179.9 Ų79.979%0.79448%0.478SS*.PPolyproline II helixtrans-75.8125.2168.2-171.10000108.5T322T322-V324 PolarHBondContact O-N 2.89Å
325G45.9Very low59Low37 Ų3773.7 Ų73.738%0.38145%0.445SS..PPolyproline II helixtrans-67.2164.4-176.500000113.9
326S60.9Low62.1Low54 Ų5466.6 Ų66.638%0.37841%0.409SS..PPolyproline II helixtrans-58.6141.8162.4173.90000108.7L328 T329S326-L328 PolarHBondContact O-N 2.92Å; S326-T329 WeakPolarHBondContact CB-OG1 3.46Å; S326-T329 PolarHBondContact N-OG1 3.18Å; S326-T329 CarbonylContact O-C 3.59Å; S326-T329 WeakPolarHBondContact O-CA 3.2Å; S326-T329 PolarHBondContact O-N 2.81Å; S326-T329 PolarHBondContact O-OG1 3.01Å
327P70.5Confident65.3Low117 Ų11762.4 Ų62.476%0.7639%0.386SS*.THydrogen-bonded Turntrans-60.9-6.7-169.822.9-35.8000116.1I165I165-P327 WeakPolarHBondContact CD1-O 3.44Å
328L82.4Confident68.4Low60 Ų6060.7 Ų60.731%0.31437%0.372SS..THydrogen-bonded Turntrans-106.86.5175.4-61.1172.9000112.8I165 I275 P277 S326I165-L328 PolarHBondContact N-O 3.03Å; I275-L328 VanDerWaalsContact O-CD1 3.28Å; I275-L328 WeakPolarHBondContact O-CD1 3.44Å; P277-L328 HydrophobicContact CG-CB 4.33Å; S326-L328 PolarHBondContact O-N 2.92Å
329T90.1Very high71.7Confident10 Ų1060.6 Ų60.66%0.06136%0.361CS..EExtended strand (participates in β ladder)trans-139.4151.5-175.561.30000112.3L163 P277 S326L163-T329 CarbonylContact O-C 3.59Å; L163-T329 WeakPolarHBondContact O-CA 3.42Å; P277-T329 HydrophobicContact CG-CG2 4.46Å; S326-T329 WeakPolarHBondContact CB-OG1 3.46Å; S326-T329 PolarHBondContact N-OG1 3.18Å; S326-T329 CarbonylContact O-C 3.59Å; S326-T329 WeakPolarHBondContact O-CA 3.2Å; S326-T329 PolarHBondContact O-N 2.81Å; S326-T329 PolarHBondContact O-OG1 3.01Å
330F93.4Very high74.9Confident3 Ų359 Ų591%0.01335%0.348CS..EExtended strand (participates in β ladder)trans-124.7173.4179.767.2-81.1000113.5G162 L163 I165 F168 P199 V204 I219 M221 A332G162-F330 PolarHBondContact N-O 2.77Å; G162-F330 VanDerWaalsContact N-O 3.13Å; L163-F330 HydrophobicContact CB-CD1 3.78Å; L163-F330 HydrophobicContact CB-CD2 4.27Å; L163-F330 HydrophobicContact CB-CE1 3.48Å; L163-F330 VanDerWaalsContact CB-CE1 3.48Å; L163-F330 HydrophobicContact CB-CE2 4.02Å; L163-F330 HydrophobicContact CB-CG 4.16Å; L163-F330 HydrophobicContact CB-CZ 3.62Å; L163-F330 HydrophobicContact CD1-CD2 4.1Å; L163-F330 HydrophobicContact CD1-CE1 4.42Å; L163-F330 HydrophobicContact CD1-CE2 3.5Å; L163-F330 HydrophobicContact CD1-CZ 3.69Å; L163-F330 HydrophobicContact CG-CE2 4.42Å; L163-F330 HydrophobicContact CG-CZ 4.3Å; L163-F330 PolarHBondContact N-O 2.94Å; L163-F330 WeakPolarHBondContact O-CD1 3.4Å; L163-F330 WeakPolarHBondContact O-CE1 3.5Å; L163-F330 PolarHBondContact O-N 3.43Å; I165-F330 HydrophobicContact CB-CD1 4.42Å; I165-F330 HydrophobicContact CG1-CB 4.3Å; I165-F330 HydrophobicContact CG1-CD1 3.83Å; F168-F330 HydrophobicContact CB-CE1 3.94Å; F168-F330 HydrophobicContact CB-CZ 3.74Å; F168-F330 HydrophobicContact CD1-CZ 4.42Å; F168-F330 AromaticContact CD2-CE1 3.65Å; F168-F330 HydrophobicContact CD2-CE1 3.65Å; F168-F330 AromaticContact CD2-CZ 3.66Å; F168-F330 HydrophobicContact CD2-CZ 3.66Å; F168-F330 HydrophobicContact CE2-CE1 4.47Å; F168-F330 HydrophobicContact CE2-CZ 4.38Å; F168-F330 HydrophobicContact CG-CE1 4.02Å; F168-F330 AromaticContact CG-CZ 3.69Å; F168-F330 HydrophobicContact CG-CZ 3.69Å; P199-F330 HydrophobicContact CB-CD1 3.93Å; P199-F330 HydrophobicContact CB-CD2 4.34Å; P199-F330 HydrophobicContact CB-CE1 3.59Å; P199-F330 HydrophobicContact CB-CE2 4.01Å; P199-F330 HydrophobicContact CB-CG 4.3Å; P199-F330 HydrophobicContact CB-CZ 3.63Å; P199-F330 HydrophobicContact CG-CB 4.43Å; P199-F330 HydrophobicContact CG-CD1 3.94Å; P199-F330 HydrophobicContact CG-CD2 3.99Å; P199-F330 HydrophobicContact CG-CE1 4.11Å; P199-F330 HydrophobicContact CG-CE2 4.14Å; P199-F330 HydrophobicContact CG-CG 3.89Å; P199-F330 HydrophobicContact CG-CZ 4.2Å; V204-F330 HydrophobicContact CG2-CE2 3.82Å; V204-F330 HydrophobicContact CG2-CZ 3.75Å; I219-F330 HydrophobicContact CD1-CD2 4.47Å; I219-F330 HydrophobicContact CD1-CE2 4.08Å; I219-F330 HydrophobicContact CG2-CD2 3.86Å; I219-F330 HydrophobicContact CG2-CE2 4.49Å; M221-F330 HydrophobicContact CE-CB 4.49Å; M221-F330 HydrophobicContact SD-CB 3.4Å; M221-F330 WeakPolarHBondContact SD-CB 3.05Å; M221-F330 HydrophobicContact SD-CG 4.39Å; F330-A332 HydrophobicContact CD2-CB 4.28Å; F330-A332 HydrophobicContact CE2-CB 4.01Å
331I94.7Very high78.2Confident20 Ų2054.6 Ų54.610%0.10332%0.322CS..EExtended strand (participates in β ladder)trans-111.7139.3168.5-63.8-169.9000108.1L160 T161 P220 S323 Y333L160-I331 CarbonylContact O-C 3.49Å; L160-I331 VanDerWaalsContact O-CA 3.23Å; L160-I331 WeakPolarHBondContact O-CA 3.43Å; L160-I331 WeakPolarHBondContact O-CG2 3.44Å; T161-I331 HydrophobicContact CG2-CD1 3.7Å; T161-I331 HydrophobicContact CG2-CG1 3.8Å; T161-I331 HydrophobicContact CG2-CG2 4.21Å; P220-I331 WeakPolarHBondContact CD-O 3.32Å; S323-I331 WeakPolarHBondContact O-CD1 3.38Å; I331-Y333 HydrophobicContact CG2-CD2 4.29Å; I331-Y333 HydrophobicContact CG2-CE2 3.87Å
332A97.2Very high81.5Confident0 Ų046.3 Ų46.30%028%0.278CS..EExtended strand (participates in β ladder)trans-131141.9171.700000110.6L160 L163 V204 D218 I219 F330L160-A332 PolarHBondContact N-O 3.39Å; L160-A332 PolarHBondContact O-N 2.94Å; L163-A332 HydrophobicContact CD1-CB 3.82Å; V204-A332 HydrophobicContact CG1-CB 4.26Å; D218-A332 WeakPolarHBondContact O-CA 3.22Å; I219-A332 HydrophobicContact CG1-CB 4.31Å; F330-A332 HydrophobicContact CD2-CB 4.28Å; F330-A332 HydrophobicContact CE2-CB 4.01Å
333Y98.2Very high84.7Confident29 Ų2942.2 Ų42.211%0.11425%0.253CS..EExtended strand (participates in β ladder)trans-105.4124167-67-103.9000107.5T157 L158 V159 I217 D218 P220 I331 H389T157-Y333 HydrophobicContact CG2-CD1 4.35Å; L158-Y333 WeakPolarHBondContact O-CA 3.06Å; V159-Y333 HydrophobicContact CB-CE1 4.46Å; V159-Y333 HydrophobicContact CG1-CD1 4.46Å; V159-Y333 HydrophobicContact CG1-CE1 4.05Å; V159-Y333 HydrophobicContact CG2-CD1 3.75Å; V159-Y333 HydrophobicContact CG2-CE1 3.64Å; I217-Y333 WeakPolarHBondContact CA-O 3.44Å; D218-Y333 PolarHBondContact N-O 3.37Å; D218-Y333 PolarHBondContact O-N 3.27Å; P220-Y333 HydrophobicContact CG-CD2 4.16Å; P220-Y333 HydrophobicContact CG-CE2 3.89Å; I331-Y333 HydrophobicContact CG2-CD2 4.29Å; I331-Y333 HydrophobicContact CG2-CE2 3.87Å; Y333-H389 HydrophobicContact CD1-CB 3.67Å; Y333-H389 AromaticContact CD1-CD2 3.54Å; Y333-H389 AromaticContact CD1-CG 3.66Å; Y333-H389 AromaticContact CD2-CD2 3.37Å; Y333-H389 WeakPolarHBondContact CD2-CD2 3.31Å; Y333-H389 AromaticContact CD2-NE2 3.4Å; Y333-H389 WeakPolarHBondContact CD2-NE2 3.4Å; Y333-H389 HydrophobicContact CE1-CB 3.62Å; Y333-H389 AromaticContact CE1-CD2 3.84Å; Y333-H389 AromaticContact CE1-CG 3.58Å; Y333-H389 AromaticContact CE2-CD2 3.68Å; Y333-H389 AromaticContact CE2-CE1 3.73Å; Y333-H389 AromaticContact CE2-CG 3.99Å; Y333-H389 AromaticContact CE2-NE2 3.5Å; Y333-H389 HydrophobicContact CG-CB 4.35Å; Y333-H389 AromaticContact CG-CD2 3.3Å; Y333-H389 AromaticContact CG-CG 3.91Å; Y333-H389 AromaticContact CG-NE2 3.87Å; Y333-H389 AromaticContact CZ-CD2 3.91Å; Y333-H389 AromaticContact CZ-CE1 3.96Å; Y333-H389 AromaticContact CZ-CG 3.75Å; Y333-H389 AromaticContact CZ-ND1 3.83Å
334V98.2Very high87.6Confident0 Ų044 Ų440%025%0.246CC..EExtended strand (participates in β ladder)trans-122.5111.6-179.3177.90000108.6L158 L160 V204 F208 I214 I217 Y336L158-V334 HydrophobicContact CB-CB 4.39Å; L158-V334 WeakPolarHBondContact CB-O 3.48Å; L158-V334 PolarHBondContact N-O 3.18Å; L158-V334 PolarHBondContact O-N 3.03Å; L160-V334 HydrophobicContact CD1-CG2 4.09Å; V204-V334 HydrophobicContact CG1-CG2 4.22Å; F208-V334 HydrophobicContact CB-CG1 4.19Å; I214-V334 HydrophobicContact CD1-CG1 3.62Å; I214-V334 HydrophobicContact CG1-CG1 3.87Å; I214-V334 HydrophobicContact CG2-CG1 4.29Å; I217-V334 HydrophobicContact CG2-CG2 4.5Å; V334-Y336 HydrophobicContact CG1-CE2 4.11Å
335Q97.9Very high90.3Very high3 Ų337.8 Ų37.81%0.01421%0.209CC..EExtended strand (participates in β ladder)trans-97.9121.5179.4179.9173.979.500110.4D156 T157 R215 E216 L390D156-Q335 WeakPolarHBondContact O-CA 3.38Å; T157-Q335 WeakPolarHBondContact OG1-CG 3.32Å; T157-Q335 PolarHBondContact OG1-NE2 3.39Å; T157-Q335 VanDerWaalsContact OG1-NE2 3.12Å; R215-Q335 HydrophobicContact CB-CG 4.15Å; R215-Q335 WeakPolarHBondContact CB-O 3.1Å; R215-Q335 PolarHBondContact N-O 2.84Å; E216-Q335 HydrophobicContact CB-CB 4.31Å; E216-Q335 PolarHBondContact N-O 3.38Å; E216-Q335 PolarHBondContact O-N 3.17Å; Q335-L390 HydrophobicContact CB-CB 4.21Å; Q335-L390 HydrophobicContact CB-CD1 3.56Å; Q335-L390 VanDerWaalsContact NE2-CB 3.32Å; Q335-L390 PolarHBondContact NE2-O 3.07Å
336Y98.3Very high92.7Very high1 Ų136 Ų360%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-81.3159.8174.6-68-81000111.5D156 L158 F208 F211 G212 I214 V334 D338 F342 A345D156-Y336 PolarHBondContact O-N 3.4Å; L158-Y336 HydrophobicContact CB-CE2 4.16Å; L158-Y336 HydrophobicContact CD2-CE2 4.11Å; F208-Y336 PolarHBondContact O-OH 3.47Å; F211-Y336 HydrophobicContact CB-CE1 4.13Å; G212-Y336 WeakPolarHBondContact O-CD1 3.34Å; G212-Y336 VanDerWaalsContact O-CE1 3.31Å; G212-Y336 WeakPolarHBondContact O-CE1 3.3Å; I214-Y336 HydrophobicContact CG1-CD1 4.23Å; I214-Y336 HydrophobicContact CG1-CE1 4.01Å; V334-Y336 HydrophobicContact CG1-CE2 4.11Å; Y336-D338 VanDerWaalsContact C-N 3.32Å; Y336-F342 HydrophobicContact CD2-CB 3.98Å; Y336-A345 HydrophobicContact CE2-CB 3.89Å
337M96.6Very high94.2Very high57 Ų5737.8 Ų37.828%0.28120%0.195SC..SBendtrans-66.7-36.6170.5-71.5-157.367.600112.1R154 K213 R215R154-M337 PolarHBondContact NH2-O 3.33Å; K213-M337 HydrophobicContact CB-CG 4.38Å; K213-M337 HydrophobicContact CB-SD 4.46Å; K213-M337 HydrophobicContact CD-CG 4.4Å; K213-M337 HydrophobicContact CD-SD 3.49Å; K213-M337 WeakPolarHBondContact CD-SD 3.37Å; K213-M337 WeakPolarHBondContact CE-SD 3.26Å; K213-M337 HydrophobicContact CG-CG 4.15Å; K213-M337 HydrophobicContact CG-SD 3.87Å; K213-M337 PolarHBondContact O-N 3.38Å; R215-M337 HydrophobicContact CB-CG 4.12Å; R215-M337 PolarHBondContact NH2-O 2.9Å; R215-M337 VanDerWaalsContact NH2-O 3.16Å
338D94.3Very high95.3Very high94 Ų9436 Ų3650%0.50318%0.178SC..SBendtrans-138.6152.5-166.4-52.9-63.2000113.1Y336 T340 G341 F342Y336-D338 VanDerWaalsContact C-N 3.32Å; D338-T340 PolarHBondContact O-N 2.77Å; D338-T340 VanDerWaalsContact O-N 3.13Å; D338-G341 PolarHBondContact O-N 2.97Å; D338-G341 VanDerWaalsContact O-N 3.13Å; D338-F342 PolarHBondContact O-N 2.87Å
339Y95.8Very high95.9Very high71 Ų7133.2 Ų33.228%0.27816%0.163SC..Hα-helixtrans-56.5-29.8178.6-178.6-126.6000113.7W136 E137 P155 G341 F342 S343W136-Y339 AromaticContact NE1-CE2 3.67Å; W136-Y339 AromaticContact NE1-CZ 3.85Å; W136-Y339 PolarHBondContact NE1-OH 3.24Å; E137-Y339 PolarHBondContact OE1-OH 2.99Å; P155-Y339 HydrophobicContact CB-CD2 4.05Å; P155-Y339 HydrophobicContact CB-CE2 3.92Å; P155-Y339 HydrophobicContact CG-CD2 3.92Å; P155-Y339 HydrophobicContact CG-CE2 3.93Å; P155-Y339 WeakPolarHBondContact O-CD2 3.49Å; Y339-G341 VanDerWaalsContact C-N 3.35Å; Y339-G341 PolarHBondContact O-N 3.15Å; Y339-F342 AromaticContact CD2-CD1 3.91Å; Y339-F342 HydrophobicContact CD2-CD1 3.91Å; Y339-F342 AromaticContact CE2-CD1 3.85Å; Y339-F342 HydrophobicContact CE2-CD1 3.85Å; Y339-F342 HydrophobicContact CE2-CE1 4.23Å; Y339-F342 PolarHBondContact O-N 3.15Å; Y339-S343 WeakPolarHBondContact O-CB 2.8Å; Y339-S343 PolarHBondContact O-N 3.09Å
340T96.6Very high95.9Very high97 Ų9736 Ų3660%0.59517%0.173SC*.Hα-helixtrans-65.4-35.5179.7500000112.8D338 R344D338-T340 PolarHBondContact O-N 2.77Å; D338-T340 VanDerWaalsContact O-N 3.13Å; T340-R344 WeakPolarHBondContact O-CB 3.42Å; T340-R344 PolarHBondContact O-N 3.19Å
341G96.8Very high95.6Very high3 Ų336.2 Ų36.23%0.03118%0.176CC..Hα-helixtrans-70.4-47.2173.700000111.5D338 Y339 R344 A345D338-G341 PolarHBondContact O-N 2.97Å; D338-G341 VanDerWaalsContact O-N 3.13Å; Y339-G341 VanDerWaalsContact C-N 3.35Å; Y339-G341 PolarHBondContact O-N 3.15Å; G341-R344 PolarHBondContact O-N 3.1Å; G341-A345 WeakPolarHBondContact O-CB 3.15Å; G341-A345 PolarHBondContact O-N 3.25Å
342F97.7Very high95.5Very high0 Ų036.6 Ų36.60%018%0.177CC..Hα-helixtrans-60.3-53.4177.7170.4-93.3000112.8W136 P155 L158 Y336 D338 Y339 R344 A345 M346 F384W136-F342 AromaticContact CD1-CE1 3.89Å; W136-F342 HydrophobicContact CD2-CE1 4.12Å; W136-F342 HydrophobicContact CD2-CZ 4.46Å; W136-F342 AromaticContact CE2-CE1 3.84Å; W136-F342 HydrophobicContact CG-CE1 4.14Å; W136-F342 HydrophobicContact CG-CZ 4.44Å; W136-F342 HydrophobicContact CZ2-CE1 4.4Å; W136-F342 AromaticContact NE1-CE1 3.74Å; P155-F342 HydrophobicContact CB-CD1 3.97Å; P155-F342 HydrophobicContact CB-CE1 3.64Å; P155-F342 HydrophobicContact CB-CZ 4.23Å; P155-F342 WeakPolarHBondContact O-CD1 3.42Å; P155-F342 WeakPolarHBondContact O-CG 3.32Å; L158-F342 HydrophobicContact CB-CD2 4.47Å; Y336-F342 HydrophobicContact CD2-CB 3.98Å; D338-F342 PolarHBondContact O-N 2.87Å; Y339-F342 AromaticContact CD2-CD1 3.91Å; Y339-F342 HydrophobicContact CD2-CD1 3.91Å; Y339-F342 AromaticContact CE2-CD1 3.85Å; Y339-F342 HydrophobicContact CE2-CD1 3.85Å; Y339-F342 HydrophobicContact CE2-CE1 4.23Å; Y339-F342 PolarHBondContact O-N 3.15Å; F342-R344 VanDerWaalsContact C-N 3.32Å; F342-R344 PolarHBondContact O-N 2.88Å; F342-A345 PolarHBondContact O-N 3.48Å; F342-M346 HydrophobicContact CD1-CG 4.34Å; F342-M346 HydrophobicContact CD2-CG 4.33Å; F342-M346 HydrophobicContact CE1-CG 3.93Å; F342-M346 HydrophobicContact CE2-CG 3.93Å; F342-M346 HydrophobicContact CE2-SD 4.14Å; F342-M346 HydrophobicContact CZ-CE 4.08Å; F342-M346 HydrophobicContact CZ-CG 3.71Å; F342-M346 HydrophobicContact CZ-SD 4.11Å; F342-M346 VanDerWaalsContact O-CG 3.32Å; F342-M346 WeakPolarHBondContact O-CG 3.38Å; F342-M346 PolarHBondContact O-N 3.46Å; F342-F384 HydrophobicContact CE2-CB 4.11Å; F342-F384 HydrophobicContact CZ-CB 3.78Å
343S97Very high95.2Very high10 Ų1038.7 Ų38.77%0.0719%0.187CC..Hα-helixtrans-61.4-41.1179.3-1680000111Y339 A345 M346 D347Y339-S343 WeakPolarHBondContact O-CB 2.8Å; Y339-S343 PolarHBondContact O-N 3.09Å; S343-A345 PolarHBondContact O-N 3.3Å; S343-M346 PolarHBondContact O-N 3Å; S343-D347 VanDerWaalsContact O-CB 3.31Å; S343-D347 WeakPolarHBondContact O-CB 3.5Å; S343-D347 VanDerWaalsContact O-CG 3.25Å; S343-D347 PolarHBondContact O-N 3.3Å; S343-D347 PolarHBondContact OG-OD2 2.89Å
344R96.8Very high95Very high128 Ų12837.3 Ų37.348%0.48318%0.181SC..Hα-helixtrans-62.1-43.2176.8-173.8-173.7-67.2150.2-9.3111.8F211 T340 G341 F342 M348F211-R344 HydrophobicContact CD1-CG 4.16Å; F211-R344 WeakPolarHBondContact O-CD 3.33Å; F211-R344 PolarHBondContact O-NH1 2.99Å; T340-R344 WeakPolarHBondContact O-CB 3.42Å; T340-R344 PolarHBondContact O-N 3.19Å; G341-R344 PolarHBondContact O-N 3.1Å; F342-R344 VanDerWaalsContact C-N 3.32Å; F342-R344 PolarHBondContact O-N 2.88Å; R344-M348 HydrophobicContact CG-CG 4.27Å; R344-M348 HydrophobicContact CG-SD 3.74Å; R344-M348 VanDerWaalsContact O-CB 3.26Å; R344-M348 WeakPolarHBondContact O-CB 3.45Å; R344-M348 WeakPolarHBondContact O-CG 3.35Å; R344-M348 PolarHBondContact O-N 2.79Å
345A96.8Very high94.7Very high0 Ų037.3 Ų37.30%018%0.181CC..Hα-helixtrans-62.5-47.3176.100000111.5L158 F211 Y336 G341 F342 S343 L349L158-A345 HydrophobicContact CD2-CB 3.91Å; F211-A345 HydrophobicContact CB-CB 3.83Å; F211-A345 HydrophobicContact CD1-CB 4.38Å; F211-A345 HydrophobicContact CD2-CB 3.59Å; F211-A345 HydrophobicContact CE2-CB 4.24Å; F211-A345 HydrophobicContact CG-CB 3.67Å; Y336-A345 HydrophobicContact CE2-CB 3.89Å; G341-A345 WeakPolarHBondContact O-CB 3.15Å; G341-A345 PolarHBondContact O-N 3.25Å; F342-A345 PolarHBondContact O-N 3.48Å; S343-A345 PolarHBondContact O-N 3.3Å; A345-L349 HydrophobicContact CB-CD1 4.34Å; A345-L349 VanDerWaalsContact O-CB 3.24Å; A345-L349 WeakPolarHBondContact O-CB 3.46Å; A345-L349 WeakPolarHBondContact O-CD1 3.43Å; A345-L349 WeakPolarHBondContact O-CG 3.35Å; A345-L349 PolarHBondContact O-N 3.41Å
346M95.7Very high94.3Very high0 Ų037.9 Ų37.90%018%0.183CC..Hα-helixtrans-58.3-51.5175.9-67-69.6-86.900111.4P131 W136 L158 F342 S343 M348 R350 I382 F384P131-M346 HydrophobicContact CG-CE 3.69Å; W136-M346 HydrophobicContact CD2-CE 4.2Å; W136-M346 HydrophobicContact CE3-CE 3.39Å; W136-M346 HydrophobicContact CH2-CB 3.44Å; W136-M346 VanDerWaalsContact CH2-CB 3.44Å; W136-M346 HydrophobicContact CH2-CE 4.29Å; W136-M346 HydrophobicContact CH2-CG 4.02Å; W136-M346 HydrophobicContact CZ2-CB 4.07Å; W136-M346 HydrophobicContact CZ2-CG 4.38Å; W136-M346 HydrophobicContact CZ3-CB 3.82Å; W136-M346 HydrophobicContact CZ3-CE 3.46Å; W136-M346 VanDerWaalsContact CZ3-CE 3.46Å; W136-M346 HydrophobicContact CZ3-CG 4.13Å; L158-M346 HydrophobicContact CD1-CG 4.01Å; L158-M346 HydrophobicContact CD1-SD 3.29Å; L158-M346 WeakPolarHBondContact CD1-SD 3.45Å; F342-M346 HydrophobicContact CD1-CG 4.34Å; F342-M346 HydrophobicContact CD2-CG 4.33Å; F342-M346 HydrophobicContact CE1-CG 3.93Å; F342-M346 HydrophobicContact CE2-CG 3.93Å; F342-M346 HydrophobicContact CE2-SD 4.14Å; F342-M346 HydrophobicContact CZ-CE 4.08Å; F342-M346 HydrophobicContact CZ-CG 3.71Å; F342-M346 HydrophobicContact CZ-SD 4.11Å; F342-M346 VanDerWaalsContact O-CG 3.32Å; F342-M346 WeakPolarHBondContact O-CG 3.38Å; F342-M346 PolarHBondContact O-N 3.46Å; S343-M346 PolarHBondContact O-N 3Å; M346-M348 PolarHBondContact O-N 3.21Å; M346-R350 WeakPolarHBondContact O-CB 3.31Å; M346-R350 PolarHBondContact O-N 3.36Å; M346-R350 VanDerWaalsContact O-N 3.12Å; M346-I382 HydrophobicContact SD-CG2 3.69Å; M346-F384 HydrophobicContact CE-CB 4.17Å; M346-F384 HydrophobicContact CE-CD1 4.29Å
347D94Very high93.7Very high90 Ų9037.8 Ų37.848%0.48118%0.183SC..Hα-helixtrans-68.3-33.1-176.1-69-43.2000113S343S343-D347 VanDerWaalsContact O-CB 3.31Å; S343-D347 WeakPolarHBondContact O-CB 3.5Å; S343-D347 VanDerWaalsContact O-CG 3.25Å; S343-D347 PolarHBondContact O-N 3.3Å; S343-D347 PolarHBondContact OG-OD2 2.89Å
348M93.4Very high92.9Very high81 Ų8135.6 Ų35.640%0.39917%0.173SC..Hα-helixtrans-82.8-39.9179.5-72.4-173.764.200113.9F211 R344 M346 Q352F211-M348 HydrophobicContact CD1-CB 4.34Å; F211-M348 HydrophobicContact CD1-SD 3.92Å; F211-M348 HydrophobicContact CE1-CB 3.62Å; F211-M348 HydrophobicContact CE1-CE 4Å; F211-M348 HydrophobicContact CE1-CG 4.2Å; F211-M348 HydrophobicContact CE1-SD 3.73Å; F211-M348 HydrophobicContact CZ-CB 4.34Å; R344-M348 HydrophobicContact CG-CG 4.27Å; R344-M348 HydrophobicContact CG-SD 3.74Å; R344-M348 VanDerWaalsContact O-CB 3.26Å; R344-M348 WeakPolarHBondContact O-CB 3.45Å; R344-M348 WeakPolarHBondContact O-CG 3.35Å; R344-M348 PolarHBondContact O-N 2.79Å; M346-M348 PolarHBondContact O-N 3.21Å; M348-Q352 WeakPolarHBondContact O-CG 3.34Å; M348-Q352 PolarHBondContact O-NE2 2.92Å
349L94.1Very high91.6Very high0 Ų035.2 Ų35.20%017%0.174CC..Hα-helixtrans-78.7-26.2-178.7-63.4168000112.5L28 L158 L160 F208 F211 A345 G351 Q352 I382L28-L349 HydrophobicContact CD1-CD2 4.14Å; L28-L349 HydrophobicContact CD2-CD2 3.93Å; L158-L349 HydrophobicContact CD2-CD1 4.04Å; L160-L349 HydrophobicContact CD2-CD1 4.16Å; F208-L349 HydrophobicContact CD1-CD1 4.25Å; F208-L349 HydrophobicContact CE1-CD1 3.78Å; F208-L349 HydrophobicContact CE1-CD2 4.26Å; F211-L349 HydrophobicContact CE2-CD1 3.83Å; F211-L349 HydrophobicContact CE2-CD2 3.91Å; F211-L349 HydrophobicContact CE2-CG 3.87Å; F211-L349 HydrophobicContact CZ-CD1 4.22Å; F211-L349 HydrophobicContact CZ-CD2 3.68Å; F211-L349 HydrophobicContact CZ-CG 3.73Å; A345-L349 HydrophobicContact CB-CD1 4.34Å; A345-L349 VanDerWaalsContact O-CB 3.24Å; A345-L349 WeakPolarHBondContact O-CB 3.46Å; A345-L349 WeakPolarHBondContact O-CD1 3.43Å; A345-L349 WeakPolarHBondContact O-CG 3.35Å; A345-L349 PolarHBondContact O-N 3.41Å; L349-G351 PolarHBondContact O-N 2.58Å; L349-Q352 WeakPolarHBondContact O-CB 3.32Å; L349-Q352 WeakPolarHBondContact O-CG 3.12Å; L349-Q352 PolarHBondContact O-N 3.17Å; L349-Q352 VanDerWaalsContact O-N 3.07Å; L349-I382 HydrophobicContact CB-CD1 3.86Å; L349-I382 HydrophobicContact CB-CG1 3.89Å; L349-I382 HydrophobicContact CD1-CG1 4.42Å; L349-I382 WeakPolarHBondContact O-CD1 3.38Å
350R90.2Very high89.8Confident68 Ų6837.4 Ų37.426%0.25718%0.183SC..THydrogen-bonded Turntrans-61.6120.7-176.8176.1165.1-160.4-85.9-7.5112.1Y128 C130 P131 M346Y128-R350 HydrophobicContact CD2-CG 4.15Å; C130-R350 HydrophobicContact CB-CG 3.95Å; C130-R350 PolarHBondContact O-NE 2.83Å; C130-R350 PolarHBondContact O-NH2 3.29Å; C130-R350 VanDerWaalsContact SG-CG 3.55Å; P131-R350 VanDerWaalsContact O-CD 3.29Å; P131-R350 WeakPolarHBondContact O-CD 3.5Å; P131-R350 PolarHBondContact O-NE 3.5Å; M346-R350 WeakPolarHBondContact O-CB 3.31Å; M346-R350 PolarHBondContact O-N 3.36Å; M346-R350 VanDerWaalsContact O-N 3.12Å
351G88.1Confident87.5Confident8 Ų844.4 Ų44.48%0.08220%0.198CC..THydrogen-bonded Turntrans78.120.7-178.400000113.7I31 L349I31-G351 WeakPolarHBondContact CB-O 3.2Å; I31-G351 WeakPolarHBondContact CG1-O 3.32Å; I31-G351 PolarHBondContact N-O 3.17Å; L349-G351 PolarHBondContact O-N 2.58Å
352Q91.4Very high84.8Confident28 Ų2847.9 Ų47.913%0.13122%0.222CC..EExtended strand (participates in β ladder)trans-110.6153.2173.9-51.9-68.7-6.400111.9L28 K29 M348 L349L28-Q352 HydrophobicContact CB-CB 4.1Å; L28-Q352 HydrophobicContact CB-CG 4.14Å; L28-Q352 HydrophobicContact CD1-CG 4.31Å; L28-Q352 HydrophobicContact CD2-CB 3.75Å; L28-Q352 HydrophobicContact CD2-CG 4.26Å; L28-Q352 HydrophobicContact CG-CB 4.36Å; L28-Q352 HydrophobicContact CG-CG 4.45Å; K29-Q352 CarbonylContact O-C 3.5Å; K29-Q352 WeakPolarHBondContact O-CA 3.14Å; K29-Q352 PolarHBondContact O-OE1 3.28Å; M348-Q352 WeakPolarHBondContact O-CG 3.34Å; M348-Q352 PolarHBondContact O-NE2 2.92Å; L349-Q352 WeakPolarHBondContact O-CB 3.32Å; L349-Q352 WeakPolarHBondContact O-CG 3.12Å; L349-Q352 PolarHBondContact O-N 3.17Å; L349-Q352 VanDerWaalsContact O-N 3.07Å
353K91.2Very high82.2Confident45 Ų4557.3 Ų57.320%0.19627%0.266CS..EExtended strand (participates in β ladder)trans-97.8139.3159.4-54-161.5-175.6-158.70108.4L28 K29 I31 D91 A378 E379L28-K353 WeakPolarHBondContact CA-O 3.5Å; K29-K353 PolarHBondContact N-O 3.24Å; K29-K353 PolarHBondContact O-N 3.28Å; I31-K353 HydrophobicContact CD1-CG 4.27Å; I31-K353 HydrophobicContact CG1-CD 4.42Å; I31-K353 HydrophobicContact CG1-CG 3.58Å; D91-K353 IonicContact OD1-NZ 3.33Å; K353-A378 CarbonylContact C-O 3.36Å; K353-A378 WeakPolarHBondContact CA-O 3.37Å; K353-A378 WeakPolarHBondContact CB-O 3.43Å; K353-E379 WeakPolarHBondContact CE-OE2 3.48Å; K353-E379 IonicContact NZ-OE2 3.18Å; K353-E379 PolarHBondContact NZ-OE2 3.32Å
354L93.4Very high79.6Confident0 Ų061.9 Ų61.90%030%0.298CS..EExtended strand (participates in β ladder)trans-74.8133.8170.1-174.265.4000108.4F20 L26 L28 L163 W167 F168 A377 A378 I380F20-L354 HydrophobicContact CD1-CD1 3.54Å; F20-L354 HydrophobicContact CE1-CD1 3.64Å; L26-L354 HydrophobicContact CB-CD1 4.41Å; L26-L354 HydrophobicContact CD2-CD1 4.22Å; L26-L354 HydrophobicContact CD2-CD2 4.45Å; L26-L354 HydrophobicContact CD2-CG 4.31Å; L28-L354 HydrophobicContact CD2-CD1 4.33Å; L163-L354 HydrophobicContact CD2-CD2 4.3Å; W167-L354 HydrophobicContact CE3-CD2 3.75Å; W167-L354 HydrophobicContact CE3-CG 4Å; W167-L354 HydrophobicContact CZ3-CB 4.07Å; W167-L354 HydrophobicContact CZ3-CD2 3.93Å; W167-L354 HydrophobicContact CZ3-CG 3.77Å; W167-L354 WeakPolarHBondContact CZ3-O 3.29Å; F168-L354 HydrophobicContact CE2-CD2 3.82Å; F168-L354 HydrophobicContact CZ-CD2 3.81Å; L354-A377 CarbonylContact O-C 3.58Å; L354-A377 WeakPolarHBondContact O-CA 3.3Å; L354-A378 PolarHBondContact N-O 3.35Å; L354-A378 PolarHBondContact O-N 2.92Å; L354-I380 HydrophobicContact CB-CD1 4.35Å; L354-I380 HydrophobicContact CB-CG2 4.08Å; L354-I380 HydrophobicContact CD2-CG2 4.46Å
355V91.9Very high76.8Confident0 Ų058.4 Ų58.40%029%0.293CS..EExtended strand (participates in β ladder)trans-123.8123.1-179.7177.80000109.5L17 L26 Y27 K29 L283 Y375 Y376 A377L17-V355 HydrophobicContact CD2-CB 4.32Å; L17-V355 HydrophobicContact CD2-CG1 4.25Å; L17-V355 HydrophobicContact CD2-CG2 4.04Å; L26-V355 WeakPolarHBondContact CA-O 3.44Å; Y27-V355 PolarHBondContact N-O 2.8Å; Y27-V355 PolarHBondContact O-N 2.93Å; K29-V355 HydrophobicContact CB-CG2 3.8Å; L283-V355 HydrophobicContact CD1-CG1 4.21Å; L283-V355 HydrophobicContact CD1-CG2 4.35Å; V355-Y375 HydrophobicContact CG1-CD1 4.05Å; V355-Y376 CarbonylContact C-O 3.55Å; V355-Y376 VanDerWaalsContact CA-O 3.25Å; V355-Y376 WeakPolarHBondContact CA-O 3.34Å; V355-A377 HydrophobicContact CG2-CB 3.94Å
356Y90.3Very high74.3Confident14 Ų1463.6 Ų63.66%0.05534%0.336CS..EExtended strand (participates in β ladder)trans-104.8128.9172.6179.8-124.5000109.8L24 N25 L26 W167 S172 H173 P358 Y376L24-Y356 WeakPolarHBondContact O-CE2 3.29Å; N25-Y356 HydrophobicContact CB-CD2 4.32Å; N25-Y356 HydrophobicContact CB-CE2 4.1Å; L26-Y356 HydrophobicContact CD2-CD2 3.9Å; L26-Y356 HydrophobicContact CD2-CG 4.38Å; W167-Y356 HydrophobicContact CB-CG 4.41Å; W167-Y356 AromaticContact CD1-CD1 3.48Å; W167-Y356 VanDerWaalsContact CD1-CD1 3.48Å; W167-Y356 AromaticContact CD1-CG 3.94Å; W167-Y356 VanDerWaalsContact CD2-CB 3.41Å; W167-Y356 HydrophobicContact CD2-CD1 4.3Å; W167-Y356 HydrophobicContact CD2-CG 4.05Å; W167-Y356 AromaticContact CG-CD1 3.93Å; W167-Y356 HydrophobicContact CG-CD1 3.93Å; W167-Y356 AromaticContact CG-CG 3.9Å; W167-Y356 HydrophobicContact CG-CG 3.9Å; W167-Y356 AromaticContact NE1-CD1 3.67Å; S172-Y356 PolarHBondContact O-OH 3.05Å; S172-Y356 VanDerWaalsContact O-OH 3.07Å; S172-Y356 PolarHBondContact OG-OH 3.21Å; H173-Y356 AromaticContact CE1-CE2 3.7Å; Y356-P358 HydrophobicContact CD1-CG 4.35Å; Y356-P358 HydrophobicContact CE1-CB 3.91Å; Y356-P358 HydrophobicContact CE1-CG 3.93Å; Y356-Y376 PolarHBondContact N-O 3.45Å; Y356-Y376 PolarHBondContact O-N 3.18Å
357A86.4Confident71.8Confident0 Ų071 Ų710%038%0.375CS..  trans-130.982.7-18000000109.8N25 Y27 T359 K373 L374 Y375N25-A357 VanDerWaalsContact CB-O 3.26Å; N25-A357 WeakPolarHBondContact CB-O 3.46Å; N25-A357 PolarHBondContact O-N 3.19Å; N25-A357 VanDerWaalsContact O-N 3.08Å; N25-A357 PolarHBondContact OD1-O 3.16Å; Y27-A357 HydrophobicContact CD2-CB 4.2Å; Y27-A357 HydrophobicContact CE2-CB 3.85Å; A357-T359 PolarHBondContact O-N 3.35Å; A357-K373 HydrophobicContact CB-CD 4.18Å; A357-K373 HydrophobicContact CB-CG 4.39Å; A357-K373 WeakPolarHBondContact O-CE 3.41Å; A357-K373 PolarHBondContact O-NZ 3.41Å; A357-L374 WeakPolarHBondContact CA-O 3.12Å; A357-Y375 HydrophobicContact CB-CD1 3.41Å; A357-Y375 VanDerWaalsContact CB-CD1 3.41Å; A357-Y375 HydrophobicContact CB-CE1 3.57Å; A357-Y375 HydrophobicContact CB-CG 3.96Å
358P78.3Confident69.4Low10 Ų1069.4 Ų69.47%0.06538%0.375CS..  trans-60137-175.522.8-32.8000112.2Y356 Y360 Y376Y356-P358 HydrophobicContact CD1-CG 4.35Å; Y356-P358 HydrophobicContact CE1-CB 3.91Å; Y356-P358 HydrophobicContact CE1-CG 3.93Å; P358-Y360 HydrophobicContact CB-CE1 4.19Å; P358-Y360 HydrophobicContact CB-CE2 4.46Å; P358-Y360 HydrophobicContact CG-CE1 4.22Å; P358-Y360 HydrophobicContact CG-CE2 3.92Å; P358-Y360 WeakPolarHBondContact CG-OH 3.3Å; P358-Y360 PolarHBondContact O-N 3.04Å; P358-Y376 HydrophobicContact CG-CE2 4.11Å
359T68.2Low67Low86 Ų8669 Ų6953%0.52837%0.374SS..  trans-90.588.8173.531.30000110.6N25 A357 R361N25-T359 PolarHBondContact ND2-OG1 3.4Å; N25-T359 VanDerWaalsContact OD1-CG2 3.31Å; N25-T359 WeakPolarHBondContact OD1-CG2 3.44Å; N25-T359 PolarHBondContact OD1-OG1 3.3Å; A357-T359 PolarHBondContact O-N 3.35Å; T359-R361 PolarHBondContact O-N 3.16Å
360Y58.5Low64.9Low118 Ų11876.4 Ų76.446%0.46341%0.409SS..  trans-66.3104.5175-58.7-63.4000110.9P358 S362P358-Y360 HydrophobicContact CB-CE1 4.19Å; P358-Y360 HydrophobicContact CB-CE2 4.46Å; P358-Y360 HydrophobicContact CG-CE1 4.22Å; P358-Y360 HydrophobicContact CG-CE2 3.92Å; P358-Y360 WeakPolarHBondContact CG-OH 3.3Å; P358-Y360 PolarHBondContact O-N 3.04Å; Y360-S362 PolarHBondContact O-N 3Å
361R47.7Very low62.8Low243 Ų24377.2 Ų77.292%0.91742%0.418SS*.  trans-71.175.2168.9-69.6-167.9-172.5-176.95.2111T359 Q363T359-R361 PolarHBondContact O-N 3.16Å; R361-Q363 PolarHBondContact O-N 3.07Å
362S40.1Very low61.4Low77 Ų7782.6 Ų82.654%0.53844%0.441SS..  trans-66.1123.2158.8-178.60000108.5Y360 S364Y360-S362 PolarHBondContact O-N 3Å; S362-S364 PolarHBondContact O-N 2.76Å; S362-S364 VanDerWaalsContact O-N 3.14Å; S362-S364 PolarHBondContact OG-N 3.47Å
363Q42.4Very low60.2Low198 Ų19883.1 Ų83.193%0.92544%0.443SS*.THydrogen-bonded Turntrans-70.92.3170.6-67.8179.8-1600112.4R361R361-Q363 PolarHBondContact O-N 3.07Å
364S41.9Very low59.3Low106 Ų10681.8 Ų81.874%0.74144%0.438SS*.THydrogen-bonded Turntrans-120.931.5-168.7-168.40000114.2S362S362-S364 PolarHBondContact O-N 2.76Å; S362-S364 VanDerWaalsContact O-N 3.14Å; S362-S364 PolarHBondContact OG-N 3.47Å
365S38.1Very low58.8Low54 Ų5483.1 Ų83.138%0.37844%0.443SS..  trans-158.6113.5156.7-166.40000113.3L367 A368S365-L367 PolarHBondContact O-N 2.88Å; S365-L367 WeakPolarHBondContact OG-CA 3.37Å; S365-L367 PolarHBondContact OG-N 3.41Å; S365-A368 PolarHBondContact OG-N 3.04Å
366A45.4Very low58.5Low110 Ų11083.7 Ų83.791%0.90945%0.445SS*.THydrogen-bonded Turntrans-82.410.5160.800000112.1
367L43.6Very low58.4Low155 Ų15583.5 Ų83.581%0.81245%0.446SS*.THydrogen-bonded Turntrans-129.523.8-177.6-66174.3000111.2S365 D369S365-L367 PolarHBondContact O-N 2.88Å; S365-L367 WeakPolarHBondContact OG-CA 3.37Å; S365-L367 PolarHBondContact OG-N 3.41Å; L367-D369 VanDerWaalsContact C-N 3.28Å; L367-D369 PolarHBondContact O-N 2.86Å
368A42.6Very low58.6Low57 Ų5783.5 Ų83.547%0.47145%0.446SS..  trans-68.687.3173.900000109.5S365S365-A368 PolarHBondContact OG-N 3.04Å
369D43.2Very low59.1Low72 Ų7285.7 Ų85.739%0.38546%0.456SS..  trans-54.2139.6172.2-157.547.2000108.7K8 L367 N371 E372K8-D369 IonicContact NZ-OD1 3.07Å; K8-D369 PolarHBondContact NZ-OD1 2.9Å; K8-D369 VanDerWaalsContact NZ-OD1 3.09Å; K8-D369 IonicContact NZ-OD2 2.73Å; K8-D369 PolarHBondContact NZ-OD2 3.41Å; L367-D369 VanDerWaalsContact C-N 3.28Å; L367-D369 PolarHBondContact O-N 2.86Å; D369-N371 PolarHBondContact O-N 3.14Å; D369-E372 PolarHBondContact O-N 3.39Å; D369-E372 VanDerWaalsContact O-N 3.12Å
370Q50.8Low60.2Low156 Ų15681.9 Ų81.973%0.72943%0.432SS*.G310 helixtrans-57.2-14.3-167.9-68.3173.8-40.700114.9E372Q370-E372 VanDerWaalsContact C-N 3.32Å; Q370-E372 PolarHBondContact O-N 3.4Å
371N45.3Very low61.8Low84 Ų8481.6 Ų81.645%0.44943%0.433SS..G310 helixtrans-64.2-21.2175.2-79.6-34.2000115.7D369 K373D369-N371 PolarHBondContact O-N 3.14Å; N371-K373 VanDerWaalsContact C-N 3.25Å; N371-K373 PolarHBondContact O-N 3.47Å
372E57.7Low64Low122 Ų12270.3 Ų70.357%0.5739%0.391SS*.G310 helixtrans-75-12.9-177.6-68.3-175.3161.800113.7D369 Q370 L374D369-E372 PolarHBondContact O-N 3.39Å; D369-E372 VanDerWaalsContact O-N 3.12Å; Q370-E372 VanDerWaalsContact C-N 3.32Å; Q370-E372 PolarHBondContact O-N 3.4Å; E372-L374 PolarHBondContact O-N 3.21Å
373K66.2Low66.7Low39 Ų3969 Ų6917%0.1738%0.378CS..  trans-72120.3-178-162.2175.9-169.4-165.50110.5Y27 A357 N371 Y375Y27-K373 PolarHBondContact OH-NZ 2.91Å; A357-K373 HydrophobicContact CB-CD 4.18Å; A357-K373 HydrophobicContact CB-CG 4.39Å; A357-K373 WeakPolarHBondContact O-CE 3.41Å; A357-K373 PolarHBondContact O-NZ 3.41Å; N371-K373 VanDerWaalsContact C-N 3.25Å; N371-K373 PolarHBondContact O-N 3.47Å; K373-Y375 HydrophobicContact CB-CE2 3.75Å; K373-Y375 HydrophobicContact CD-CE2 4.21Å; K373-Y375 HydrophobicContact CG-CE2 3.95Å; K373-Y375 WeakPolarHBondContact O-CD2 3.4Å; K373-Y375 WeakPolarHBondContact O-CE2 3.36Å
374L73.4Confident69.2Low17 Ų1760 Ų609%0.08934%0.336CS..  trans-81.8133.6173.6-71174000110.6I269 I287 A357 E372 Y376I269-L374 HydrophobicContact CG2-CD1 3.66Å; I287-L374 HydrophobicContact CD1-CD2 4.04Å; A357-L374 WeakPolarHBondContact CA-O 3.12Å; E372-L374 PolarHBondContact O-N 3.21Å; L374-Y376 HydrophobicContact CB-CE2 3.93Å; L374-Y376 WeakPolarHBondContact CD1-OH 3.45Å
375Y82.3Confident71.8Confident28 Ų2855.1 Ų55.111%0.1130%0.302CS..  trans-118.4121.1179.6-65.6-106.5000109.7I14 L17 L283 V355 A357 K373I14-Y375 HydrophobicContact CD1-CD1 4.47Å; I14-Y375 HydrophobicContact CD1-CD2 3.57Å; I14-Y375 HydrophobicContact CD1-CE1 4.25Å; I14-Y375 HydrophobicContact CD1-CE2 3.31Å; I14-Y375 HydrophobicContact CD1-CG 4.18Å; I14-Y375 HydrophobicContact CG1-CE2 4.47Å; I14-Y375 HydrophobicContact CG2-CE1 4.47Å; L17-Y375 HydrophobicContact CD1-CD1 3.7Å; L17-Y375 HydrophobicContact CD1-CE1 3.52Å; L283-Y375 PolarHBondContact N-O 2.91Å; V355-Y375 HydrophobicContact CG1-CD1 4.05Å; A357-Y375 HydrophobicContact CB-CD1 3.41Å; A357-Y375 VanDerWaalsContact CB-CD1 3.41Å; A357-Y375 HydrophobicContact CB-CE1 3.57Å; A357-Y375 HydrophobicContact CB-CG 3.96Å; K373-Y375 HydrophobicContact CB-CE2 3.75Å; K373-Y375 HydrophobicContact CD-CE2 4.21Å; K373-Y375 HydrophobicContact CG-CE2 3.95Å; K373-Y375 WeakPolarHBondContact O-CD2 3.4Å; K373-Y375 WeakPolarHBondContact O-CE2 3.36Å
376Y86.2Confident74.5Confident12 Ų1257.7 Ų57.75%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-107.4130.7177.6-53.7-91.6000108.7W167 G270 G281 I282 V355 Y356 P358 L374W167-Y376 VanDerWaalsContact CH2-O 3.29Å; W167-Y376 WeakPolarHBondContact CH2-O 3.31Å; G270-Y376 WeakPolarHBondContact CA-OH 3.23Å; G281-Y376 CarbonylContact O-C 3.58Å; G281-Y376 WeakPolarHBondContact O-CA 3.37Å; I282-Y376 HydrophobicContact CD1-CE1 4.35Å; I282-Y376 HydrophobicContact CG1-CD1 3.99Å; I282-Y376 HydrophobicContact CG1-CE1 4.06Å; V355-Y376 CarbonylContact C-O 3.55Å; V355-Y376 VanDerWaalsContact CA-O 3.25Å; V355-Y376 WeakPolarHBondContact CA-O 3.34Å; Y356-Y376 PolarHBondContact N-O 3.45Å; Y356-Y376 PolarHBondContact O-N 3.18Å; P358-Y376 HydrophobicContact CG-CE2 4.11Å; L374-Y376 HydrophobicContact CB-CE2 3.93Å; L374-Y376 WeakPolarHBondContact CD1-OH 3.45Å
377A88.7Confident76.8Confident9 Ų957 Ų577%0.07429%0.287CS..EExtended strand (participates in β ladder)trans-119.4130.1-176.600000111.1I280 G281 L283 L354 V355I280-A377 WeakPolarHBondContact CA-O 3.4Å; G281-A377 PolarHBondContact N-O 2.82Å; G281-A377 PolarHBondContact O-N 3.34Å; L283-A377 HydrophobicContact CD1-CB 4.31Å; L283-A377 HydrophobicContact CD2-CB 3.77Å; L283-A377 HydrophobicContact CG-CB 3.99Å; L354-A377 CarbonylContact O-C 3.58Å; L354-A377 WeakPolarHBondContact O-CA 3.3Å; V355-A377 HydrophobicContact CG2-CB 3.94Å
378A89.9Confident79.3Confident0 Ų052.2 Ų52.20%026%0.26CS..EExtended strand (participates in β ladder)trans-123135.7-179.300000111.1P164 W167 T279 I280 K353 L354 I380P164-A378 HydrophobicContact CG-CB 3.54Å; W167-A378 HydrophobicContact CH2-CB 3.42Å; W167-A378 VanDerWaalsContact CH2-CB 3.42Å; W167-A378 HydrophobicContact CZ2-CB 4.26Å; W167-A378 HydrophobicContact CZ3-CB 3.65Å; T279-A378 WeakPolarHBondContact O-CA 3.36Å; I280-A378 HydrophobicContact CG1-CB 4.22Å; K353-A378 CarbonylContact C-O 3.36Å; K353-A378 WeakPolarHBondContact CA-O 3.37Å; K353-A378 WeakPolarHBondContact CB-O 3.43Å; L354-A378 PolarHBondContact N-O 3.35Å; L354-A378 PolarHBondContact O-N 2.92Å; A378-I380 PolarHBondContact O-N 3.45Å
379E88.9Confident81.8Confident56 Ų5650.5 Ų50.526%0.26224%0.242SC..  trans-88.4106.9174.2-164159.4146.300110.1I31 R33 T279 K353I31-E379 HydrophobicContact CD1-CG 4.3Å; R33-E379 IonicContact CZ-OE1 3.64Å; R33-E379 VanDerWaalsContact CZ-OE1 3.26Å; R33-E379 IonicContact CZ-OE2 3.95Å; R33-E379 IonicContact NH1-OE1 3.26Å; R33-E379 PolarHBondContact NH1-OE1 3.18Å; R33-E379 IonicContact NH1-OE2 3.72Å; R33-E379 IonicContact NH2-OE1 3.81Å; R33-E379 PolarHBondContact NH2-OE1 2.9Å; R33-E379 IonicContact NH2-OE2 3.91Å; R33-E379 PolarHBondContact NH2-OE2 3.38Å; T279-E379 HydrophobicContact CG2-CB 4.29Å; T279-E379 WeakPolarHBondContact CG2-O 3.41Å; K353-E379 WeakPolarHBondContact CE-OE2 3.48Å; K353-E379 IonicContact NZ-OE2 3.18Å; K353-E379 PolarHBondContact NZ-OE2 3.32Å
380I91Very high84.4Confident7 Ų747.1 Ų47.14%0.03622%0.224CC..  trans-94.3146.9177.461.6168.3000109.3T161 L163 L354 A378 I382T161-I380 WeakPolarHBondContact O-CA 3.37Å; L163-I380 HydrophobicContact CD2-CG2 4.07Å; L354-I380 HydrophobicContact CB-CD1 4.35Å; L354-I380 HydrophobicContact CB-CG2 4.08Å; L354-I380 HydrophobicContact CD2-CG2 4.46Å; A378-I380 PolarHBondContact O-N 3.45Å; I380-I382 HydrophobicContact CD1-CD1 4.14Å; I380-I382 HydrophobicContact CD1-CG1 4.36Å; I380-I382 HydrophobicContact CG1-CD1 4.04Å
381K92.7Very high86.5Confident112 Ų11239.9 Ų39.949%0.48719%0.191SC..EExtended strand (participates in β ladder)trans-101.5141.3166.5-49.2-168.4176-160.10110.2D129 T161D129-K381 WeakPolarHBondContact OD2-CE 3.37Å; D129-K381 IonicContact OD2-NZ 2.9Å; D129-K381 PolarHBondContact OD2-NZ 3.45Å; T161-K381 PolarHBondContact N-O 2.76Å; T161-K381 PolarHBondContact O-N 2.87Å; T161-K381 WeakPolarHBondContact OG1-CB 3.5Å
382I94.8Very high88.9Confident6 Ų639.1 Ų39.13%0.03119%0.19CC..EExtended strand (participates in β ladder)trans-120.8131.7179.1-54.4100.4000108.3C130 L158 V159 L160 M346 L349 I380C130-I382 PolarHBondContact SG-O 3.44Å; L158-I382 HydrophobicContact CD1-CG2 3.48Å; L158-I382 VanDerWaalsContact CD1-CG2 3.48Å; L158-I382 HydrophobicContact CG-CG2 4.39Å; V159-I382 WeakPolarHBondContact O-CA 3.35Å; L160-I382 HydrophobicContact CD2-CG1 3.91Å; L160-I382 HydrophobicContact CD2-CG2 4.38Å; M346-I382 HydrophobicContact SD-CG2 3.69Å; L349-I382 HydrophobicContact CB-CD1 3.86Å; L349-I382 HydrophobicContact CB-CG1 3.89Å; L349-I382 HydrophobicContact CD1-CG1 4.42Å; L349-I382 WeakPolarHBondContact O-CD1 3.38Å; I380-I382 HydrophobicContact CD1-CD1 4.14Å; I380-I382 HydrophobicContact CD1-CG1 4.36Å; I380-I382 HydrophobicContact CG1-CD1 4.04Å
383D95.8Very high90.7Very high50 Ų5038.2 Ų38.227%0.26719%0.19SC..EExtended strand (participates in β ladder)trans-144.4176.3175.3-157.72.1000110.3P131 V159 R386P131-D383 WeakPolarHBondContact CG-OD1 3.5Å; V159-D383 HydrophobicContact CB-CB 4.4Å; V159-D383 PolarHBondContact N-O 2.82Å; V159-D383 PolarHBondContact O-N 3.31Å; D383-R386 VanDerWaalsContact CG-NH2 3.31Å; D383-R386 IonicContact OD1-CZ 2.74Å; D383-R386 IonicContact OD1-NH1 3.8Å; D383-R386 IonicContact OD1-NH2 2.71Å; D383-R386 PolarHBondContact OD1-NH2 3.48Å; D383-R386 IonicContact OD2-CZ 3.99Å; D383-R386 IonicContact OD2-NH1 2.71Å; D383-R386 PolarHBondContact OD2-NH1 3.05Å; D383-R386 IonicContact OD2-NH2 3.66Å; D383-R386 PolarHBondContact OD2-NH2 3.27Å
384F95.8Very high92.1Very high7 Ų737.8 Ų37.83%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-107.4151.3173.163.9-92.3000111.5P131 W136 F139 F140 F342 M346 R386P131-F384 HydrophobicContact CB-CD1 4.1Å; P131-F384 HydrophobicContact CB-CE1 3.89Å; P131-F384 HydrophobicContact CG-CD1 3.73Å; P131-F384 HydrophobicContact CG-CE1 4.02Å; W136-F384 HydrophobicContact CB-CD1 3.52Å; W136-F384 HydrophobicContact CB-CD2 4.21Å; W136-F384 HydrophobicContact CB-CE1 3.57Å; W136-F384 HydrophobicContact CB-CE2 4.26Å; W136-F384 HydrophobicContact CB-CG 3.85Å; W136-F384 HydrophobicContact CB-CZ 3.95Å; F139-F384 HydrophobicContact CB-CE2 3.69Å; F139-F384 HydrophobicContact CB-CZ 3.77Å; F139-F384 HydrophobicContact CD1-CD2 4.33Å; F139-F384 AromaticContact CD1-CE2 3.57Å; F139-F384 HydrophobicContact CD1-CE2 3.57Å; F139-F384 HydrophobicContact CD1-CZ 4.49Å; F139-F384 HydrophobicContact CD2-CE2 4.36Å; F139-F384 HydrophobicContact CE1-CE2 4.3Å; F139-F384 AromaticContact CG-CE2 3.6Å; F139-F384 HydrophobicContact CG-CE2 3.6Å; F139-F384 HydrophobicContact CG-CZ 4.11Å; F140-F384 AromaticContact CE2-CD2 3.73Å; F140-F384 HydrophobicContact CE2-CD2 3.73Å; F140-F384 HydrophobicContact CE2-CE2 4.22Å; F140-F384 HydrophobicContact CE2-CG 4.45Å; F140-F384 HydrophobicContact CZ-CD2 4.12Å; F342-F384 HydrophobicContact CE2-CB 4.11Å; F342-F384 HydrophobicContact CZ-CB 3.78Å; M346-F384 HydrophobicContact CE-CB 4.17Å; M346-F384 HydrophobicContact CE-CD1 4.29Å; F384-R386 HydrophobicContact CD2-CG 3.94Å; F384-R386 HydrophobicContact CE2-CG 3.64Å; F384-R386 HydrophobicContact CZ-CG 4.49Å; F384-R386 VanDerWaalsContact CZ-NH2 3.31Å
385D96Very high93.3Very high5 Ų539.4 Ų39.43%0.02720%0.199CC..  trans-71135.1179.4-175.824.5000112F140 T157 V159 T387 K388 H389F140-D385 VanDerWaalsContact CZ-O 3.32Å; F140-D385 WeakPolarHBondContact CZ-O 3.41Å; T157-D385 HydrophobicContact CG2-CB 3.7Å; T157-D385 PolarHBondContact O-N 3.35Å; T157-D385 VanDerWaalsContact O-N 3.1Å; V159-D385 HydrophobicContact CG2-CB 3.93Å; D385-T387 WeakPolarHBondContact OD1-CA 3.02Å; D385-T387 WeakPolarHBondContact OD1-CB 3.47Å; D385-T387 PolarHBondContact OD1-N 2.95Å; D385-T387 PolarHBondContact OD1-OG1 2.88Å; D385-K388 WeakPolarHBondContact OD2-CA 3.44Å; D385-K388 PolarHBondContact OD2-N 3.47Å; D385-H389 WeakPolarHBondContact OD2-CB 3.21Å; D385-H389 PolarHBondContact OD2-N 3.08Å
386R94.7Very high93.9Very high108 Ų10843.6 Ų43.641%0.40822%0.22SC..SBendtrans-118.80.5176.7-58.2-175.3-169.684.912.5112.6F139 D383 F384F139-R386 HydrophobicContact CD1-CG 4.42Å; F139-R386 HydrophobicContact CD2-CG 4.42Å; F139-R386 HydrophobicContact CE1-CB 4.07Å; F139-R386 HydrophobicContact CE1-CG 3.96Å; F139-R386 HydrophobicContact CE2-CB 4.09Å; F139-R386 HydrophobicContact CE2-CG 3.97Å; F139-R386 HydrophobicContact CZ-CB 3.57Å; F139-R386 HydrophobicContact CZ-CG 3.73Å; D383-R386 VanDerWaalsContact CG-NH2 3.31Å; D383-R386 IonicContact OD1-CZ 2.74Å; D383-R386 IonicContact OD1-NH1 3.8Å; D383-R386 IonicContact OD1-NH2 2.71Å; D383-R386 PolarHBondContact OD1-NH2 3.48Å; D383-R386 IonicContact OD2-CZ 3.99Å; D383-R386 IonicContact OD2-NH1 2.71Å; D383-R386 PolarHBondContact OD2-NH1 3.05Å; D383-R386 IonicContact OD2-NH2 3.66Å; D383-R386 PolarHBondContact OD2-NH2 3.27Å; F384-R386 HydrophobicContact CD2-CG 3.94Å; F384-R386 HydrophobicContact CE2-CG 3.64Å; F384-R386 HydrophobicContact CZ-CG 4.49Å; F384-R386 VanDerWaalsContact CZ-NH2 3.31Å
387T94.2Very high94.5Very high94 Ų9445.7 Ų45.758%0.57724%0.239SC*.SBendtrans-115.2-3.8-164.267.30000113.6D385 H389D385-T387 WeakPolarHBondContact OD1-CA 3.02Å; D385-T387 WeakPolarHBondContact OD1-CB 3.47Å; D385-T387 PolarHBondContact OD1-N 2.95Å; D385-T387 PolarHBondContact OD1-OG1 2.88Å; T387-H389 VanDerWaalsContact C-N 3.28Å
388K95Very high94.8Very high55 Ų5546.5 Ų46.524%0.23924%0.241CC..  trans61.932.3-172.5-51.4-174176.7-165.60113.1N145 M146 G152 E153 D385 L390 S391 S394N145-K388 WeakPolarHBondContact O-CE 3.28Å; N145-K388 PolarHBondContact O-NZ 3.42Å; M146-K388 HydrophobicContact CE-CG 3.98Å; M146-K388 HydrophobicContact SD-CD 4.21Å; M146-K388 WeakPolarHBondContact SD-CE 3.45Å; M146-K388 HydrophobicContact SD-CG 3.78Å; G152-K388 WeakPolarHBondContact O-CA 3.31Å; E153-K388 VanDerWaalsContact CD-CE 3.41Å; E153-K388 HydrophobicContact CG-CD 3.82Å; E153-K388 HydrophobicContact CG-CG 4.08Å; E153-K388 IonicContact OE1-NZ 3.6Å; E153-K388 PolarHBondContact OE1-NZ 3.02Å; E153-K388 VanDerWaalsContact OE1-NZ 3.09Å; E153-K388 WeakPolarHBondContact OE2-CE 3.43Å; E153-K388 IonicContact OE2-NZ 2.72Å; E153-K388 PolarHBondContact OE2-NZ 2.91Å; D385-K388 WeakPolarHBondContact OD2-CA 3.44Å; D385-K388 PolarHBondContact OD2-N 3.47Å; K388-L390 VanDerWaalsContact C-N 3.29Å; K388-L390 PolarHBondContact O-N 3.43Å; K388-S391 VanDerWaalsContact O-CB 3.3Å; K388-S391 WeakPolarHBondContact O-CB 3.32Å; K388-S391 PolarHBondContact O-N 3.4Å; K388-S391 PolarHBondContact O-OG 3.48Å; K388-S394 WeakPolarHBondContact O-CB 3.38Å
389H96.2Very high95.1Very high22 Ų2250 Ų5010%0.10226%0.257CS..THydrogen-bonded Turntrans-53.8-44.8-174.1-163.179.2000112.2D218 Q226 Y333 D385 T387 S394 R398D218-H389 IonicContact OD2-CD2 3.45Å; D218-H389 IonicContact OD2-CE1 3.28Å; D218-H389 IonicContact OD2-NE2 2.64Å; D218-H389 PolarHBondContact OD2-NE2 3.08Å; Q226-H389 PolarHBondContact OE1-CE1 2.75Å; Q226-H389 PolarHBondContact OE1-NE2 3.36Å; Y333-H389 HydrophobicContact CD1-CB 3.67Å; Y333-H389 AromaticContact CD1-CD2 3.54Å; Y333-H389 AromaticContact CD1-CG 3.66Å; Y333-H389 AromaticContact CD2-CD2 3.37Å; Y333-H389 WeakPolarHBondContact CD2-CD2 3.31Å; Y333-H389 AromaticContact CD2-NE2 3.4Å; Y333-H389 WeakPolarHBondContact CD2-NE2 3.4Å; Y333-H389 HydrophobicContact CE1-CB 3.62Å; Y333-H389 AromaticContact CE1-CD2 3.84Å; Y333-H389 AromaticContact CE1-CG 3.58Å; Y333-H389 AromaticContact CE2-CD2 3.68Å; Y333-H389 AromaticContact CE2-CE1 3.73Å; Y333-H389 AromaticContact CE2-CG 3.99Å; Y333-H389 AromaticContact CE2-NE2 3.5Å; Y333-H389 HydrophobicContact CG-CB 4.35Å; Y333-H389 AromaticContact CG-CD2 3.3Å; Y333-H389 AromaticContact CG-CG 3.91Å; Y333-H389 AromaticContact CG-NE2 3.87Å; Y333-H389 AromaticContact CZ-CD2 3.91Å; Y333-H389 AromaticContact CZ-CE1 3.96Å; Y333-H389 AromaticContact CZ-CG 3.75Å; Y333-H389 AromaticContact CZ-ND1 3.83Å; D385-H389 WeakPolarHBondContact OD2-CB 3.21Å; D385-H389 PolarHBondContact OD2-N 3.08Å; T387-H389 VanDerWaalsContact C-N 3.28Å; H389-S394 VanDerWaalsContact O-CB 3.32Å; H389-S394 WeakPolarHBondContact O-CB 3.49Å; H389-S394 PolarHBondContact O-OG 3.13Å; H389-R398 PolarHBondContact O-NH2 3.33Å
390L97Very high95.5Very high1 Ų150.3 Ų50.31%0.00526%0.26CS..THydrogen-bonded Turntrans-102.426.9176.6-61.8-173000113.3T157 E216 D218 Q335 K388 I395T157-L390 HydrophobicContact CG2-CB 4.2Å; T157-L390 HydrophobicContact CG2-CD1 4.01Å; T157-L390 HydrophobicContact CG2-CG 4.16Å; E216-L390 HydrophobicContact CB-CD1 4.39Å; E216-L390 HydrophobicContact CG-CD1 4.42Å; E216-L390 HydrophobicContact CG-CD2 4.05Å; D218-L390 HydrophobicContact CB-CD2 3.69Å; Q335-L390 HydrophobicContact CB-CB 4.21Å; Q335-L390 HydrophobicContact CB-CD1 3.56Å; Q335-L390 VanDerWaalsContact NE2-CB 3.32Å; Q335-L390 PolarHBondContact NE2-O 3.07Å; K388-L390 VanDerWaalsContact C-N 3.29Å; K388-L390 PolarHBondContact O-N 3.43Å; L390-I395 HydrophobicContact CD2-CG1 4.49Å
391S96Very high95.7Very high4 Ų454.8 Ų54.83%0.02828%0.28CS..SBendtrans-73.3152.7164.764.90000111.5K388 D393 S394 I395K388-S391 VanDerWaalsContact O-CB 3.3Å; K388-S391 WeakPolarHBondContact O-CB 3.32Å; K388-S391 PolarHBondContact O-N 3.4Å; K388-S391 PolarHBondContact O-OG 3.48Å; S391-D393 PolarHBondContact O-N 3.48Å; S391-S394 PolarHBondContact O-N 3.38Å; S391-S394 WeakPolarHBondContact OG-CB 3.43Å; S391-S394 PolarHBondContact OG-N 3.49Å; S391-I395 WeakPolarHBondContact O-CD1 3.27Å; S391-I395 VanDerWaalsContact O-CG1 3.29Å; S391-I395 WeakPolarHBondContact O-CG1 3.47Å; S391-I395 PolarHBondContact O-N 2.92Å
392P95.4Very high95.8Very high67 Ų6751 Ų5144%0.43526%0.262SS..Hα-helixtrans-54.2-39.1175-26.835.3000113.1I395 H396P392-I395 PolarHBondContact O-N 2.64Å; P392-H396 VanDerWaalsContact O-CB 3.27Å; P392-H396 WeakPolarHBondContact O-CB 3.45Å; P392-H396 PolarHBondContact O-N 2.68Å
393D95.3Very high95.8Very high104 Ų10453.8 Ų53.856%0.55628%0.277SS*.Hα-helixtrans-67.1-43-178.9-60.1-32.2000111.5K150 S391 A397K150-D393 IonicContact NZ-OD2 3.67Å; S391-D393 PolarHBondContact O-N 3.48Å; D393-A397 VanDerWaalsContact O-CB 3.32Å; D393-A397 WeakPolarHBondContact O-CB 3.46Å; D393-A397 PolarHBondContact O-N 3.39Å
394S96.1Very high95.8Very high29 Ų2956.7 Ų56.720%0.20329%0.289CS..Hα-helixtrans-64.7-46173.6171.50000112.2K388 H389 S391 H396 A397 R398K388-S394 WeakPolarHBondContact O-CB 3.38Å; H389-S394 VanDerWaalsContact O-CB 3.32Å; H389-S394 WeakPolarHBondContact O-CB 3.49Å; H389-S394 PolarHBondContact O-OG 3.13Å; S391-S394 PolarHBondContact O-N 3.38Å; S391-S394 WeakPolarHBondContact OG-CB 3.43Å; S391-S394 PolarHBondContact OG-N 3.49Å; S394-H396 VanDerWaalsContact C-N 3.32Å; S394-H396 PolarHBondContact O-N 3.09Å; S394-A397 PolarHBondContact O-N 2.73Å; S394-R398 WeakPolarHBondContact O-CB 3.28Å; S394-R398 WeakPolarHBondContact O-CG 3.27Å; S394-R398 PolarHBondContact O-N 2.85Å; S394-R398 PolarHBondContact OG-NE 3.48Å
395I96.6Very high95.7Very high51 Ų5158.1 Ų58.126%0.26230%0.297SS..Hα-helixtrans-61.2-43.7178.8-67.1163.3000110E216 L390 S391 P392 R398 Q399E216-I395 HydrophobicContact CG-CD1 4.06Å; L390-I395 HydrophobicContact CD2-CG1 4.49Å; S391-I395 WeakPolarHBondContact O-CD1 3.27Å; S391-I395 VanDerWaalsContact O-CG1 3.29Å; S391-I395 WeakPolarHBondContact O-CG1 3.47Å; S391-I395 PolarHBondContact O-N 2.92Å; P392-I395 PolarHBondContact O-N 2.64Å; I395-R398 PolarHBondContact O-N 2.76Å; I395-Q399 WeakPolarHBondContact O-CB 3.36Å; I395-Q399 PolarHBondContact O-N 3.22Å
396H96.8Very high95.5Very high116 Ų11660.3 Ų60.354%0.53731%0.308SS..Hα-helixtrans-66.4-43.2177-17466.1000112.5P392 S394 R398 Q399 N400P392-H396 VanDerWaalsContact O-CB 3.27Å; P392-H396 WeakPolarHBondContact O-CB 3.45Å; P392-H396 PolarHBondContact O-N 2.68Å; S394-H396 VanDerWaalsContact C-N 3.32Å; S394-H396 PolarHBondContact O-N 3.09Å; H396-R398 VanDerWaalsContact C-N 3.34Å; H396-R398 PolarHBondContact O-N 2.95Å; H396-Q399 PolarHBondContact O-N 2.63Å; H396-N400 PolarHBondContact CD2-ND2 3.41Å; H396-N400 VanDerWaalsContact CD2-ND2 3.29Å; H396-N400 PolarHBondContact CE1-ND2 2.88Å; H396-N400 PolarHBondContact NE2-ND2 2.98Å; H396-N400 WeakPolarHBondContact O-CB 3.48Å; H396-N400 VanDerWaalsContact O-CG 3.28Å; H396-N400 PolarHBondContact O-N 2.92Å; H396-N400 PolarHBondContact O-ND2 3.38Å
397A97Very high95.4Very high56 Ų5660.7 Ų60.746%0.46332%0.317SS..Hα-helixtrans-59.9-43.3174.900000112D393 S394 N400 K401D393-A397 VanDerWaalsContact O-CB 3.32Å; D393-A397 WeakPolarHBondContact O-CB 3.46Å; D393-A397 PolarHBondContact O-N 3.39Å; S394-A397 PolarHBondContact O-N 2.73Å; A397-N400 PolarHBondContact O-N 2.74Å; A397-K401 WeakPolarHBondContact O-CB 3.33Å; A397-K401 PolarHBondContact O-N 3.45Å
398R96.6Very high95.4Very high27 Ų2759.3 Ų59.310%0.10231%0.309CS..Hα-helixtrans-66-42.6175.6-73.1-173.1-69.2139.62.5112.2D218 D223 S225 H389 S394 I395 H396 N400 K401 R402D218-R398 IonicContact OD1-NH1 3.38Å; D218-R398 PolarHBondContact OD1-NH1 3.36Å; D218-R398 IonicContact OD2-NH1 3.3Å; D218-R398 PolarHBondContact OD2-NH1 3.13Å; D223-R398 IonicContact OD2-NH1 3.94Å; S225-R398 WeakPolarHBondContact OG-CB 3.49Å; S225-R398 WeakPolarHBondContact OG-CG 3.38Å; H389-R398 PolarHBondContact O-NH2 3.33Å; S394-R398 WeakPolarHBondContact O-CB 3.28Å; S394-R398 WeakPolarHBondContact O-CG 3.27Å; S394-R398 PolarHBondContact O-N 2.85Å; S394-R398 PolarHBondContact OG-NE 3.48Å; I395-R398 PolarHBondContact O-N 2.76Å; H396-R398 VanDerWaalsContact C-N 3.34Å; H396-R398 PolarHBondContact O-N 2.95Å; R398-N400 PolarHBondContact O-N 3.45Å; R398-K401 PolarHBondContact O-N 3.46Å; R398-R402 VanDerWaalsContact O-CB 3.28Å; R398-R402 WeakPolarHBondContact O-CB 3.39Å; R398-R402 PolarHBondContact O-N 3.38Å
399Q96Very high95.3Very high72 Ų7256.9 Ų56.934%0.33630%0.299SS..Hα-helixtrans-60.5-44.1173.8-174.564.149.100111.9I395 H396 K401 R402 N403I395-Q399 WeakPolarHBondContact O-CB 3.36Å; I395-Q399 PolarHBondContact O-N 3.22Å; H396-Q399 PolarHBondContact O-N 2.63Å; Q399-K401 PolarHBondContact O-N 2.96Å; Q399-R402 WeakPolarHBondContact O-CB 3.43Å; Q399-R402 PolarHBondContact O-N 3.29Å; Q399-N403 PolarHBondContact NE2-OD1 3.29Å; Q399-N403 WeakPolarHBondContact O-CB 3.21Å; Q399-N403 PolarHBondContact O-N 2.93Å; Q399-N403 PolarHBondContact O-OD1 3.48Å
400N96.8Very high95Very high63 Ų6359.2 Ų59.234%0.33731%0.31SS..Hα-helixtrans-62.9-42176.6-71.6-24.1000111.7H396 A397 R398 N403 Q404H396-N400 PolarHBondContact CD2-ND2 3.41Å; H396-N400 VanDerWaalsContact CD2-ND2 3.29Å; H396-N400 PolarHBondContact CE1-ND2 2.88Å; H396-N400 PolarHBondContact NE2-ND2 2.98Å; H396-N400 WeakPolarHBondContact O-CB 3.48Å; H396-N400 VanDerWaalsContact O-CG 3.28Å; H396-N400 PolarHBondContact O-N 2.92Å; H396-N400 PolarHBondContact O-ND2 3.38Å; A397-N400 PolarHBondContact O-N 2.74Å; R398-N400 PolarHBondContact O-N 3.45Å; N400-N403 PolarHBondContact O-N 3.27Å; N400-Q404 WeakPolarHBondContact O-CG 3.45Å; N400-Q404 PolarHBondContact O-N 3.1Å
401K95.7Very high94.9Very high101 Ų10166.6 Ų66.644%0.43934%0.337SS..Hα-helixtrans-64.8-40.8175.6-176.960.2176-178.50112.2A397 R398 Q399 Q404 L405A397-K401 WeakPolarHBondContact O-CB 3.33Å; A397-K401 PolarHBondContact O-N 3.45Å; R398-K401 PolarHBondContact O-N 3.46Å; Q399-K401 PolarHBondContact O-N 2.96Å; K401-Q404 WeakPolarHBondContact O-CB 3.37Å; K401-Q404 PolarHBondContact O-N 2.97Å; K401-L405 HydrophobicContact CG-CD1 4.46Å; K401-L405 WeakPolarHBondContact O-CG 3.47Å; K401-L405 PolarHBondContact O-N 3.48Å
402R94.9Very high94.8Very high33 Ų3374.4 Ų74.413%0.12537%0.366CS..Hα-helixtrans-61.6-47.8175.1-162.9-179.1-57.7135.2-0111.1D223 Y234 R398 Q399 Q404 L405 L406D223-R402 IonicContact OD1-CZ 3.54Å; D223-R402 IonicContact OD1-NE 3.64Å; D223-R402 PolarHBondContact OD1-NE 2.99Å; D223-R402 IonicContact OD1-NH2 2.7Å; D223-R402 PolarHBondContact OD1-NH2 2.93Å; D223-R402 VanDerWaalsContact OD1-NH2 3.08Å; D223-R402 IonicContact OD2-CZ 2.81Å; D223-R402 IonicContact OD2-NE 3.84Å; D223-R402 IonicContact OD2-NH2 2.67Å; D223-R402 PolarHBondContact OD2-NH2 2.86Å; Y234-R402 HydrophobicContact CE1-CG 4.25Å; Y234-R402 WeakPolarHBondContact OH-CD 3.19Å; R398-R402 VanDerWaalsContact O-CB 3.28Å; R398-R402 WeakPolarHBondContact O-CB 3.39Å; R398-R402 PolarHBondContact O-N 3.38Å; Q399-R402 WeakPolarHBondContact O-CB 3.43Å; Q399-R402 PolarHBondContact O-N 3.29Å; R402-Q404 VanDerWaalsContact C-N 3.33Å; R402-Q404 PolarHBondContact O-N 3.42Å; R402-L405 PolarHBondContact O-N 3.42Å; R402-L405 VanDerWaalsContact O-N 3.12Å; R402-L406 WeakPolarHBondContact O-CG 3.33Å; R402-L406 PolarHBondContact O-N 3.06Å
403N94Very high94.6Very high65 Ų6573.1 Ų73.135%0.34835%0.353SS..Hα-helixtrans-57.1-43.5175.1-68.1-7.3000112Q399 N400 L406 I407Q399-N403 PolarHBondContact NE2-OD1 3.29Å; Q399-N403 WeakPolarHBondContact O-CB 3.21Å; Q399-N403 PolarHBondContact O-N 2.93Å; Q399-N403 PolarHBondContact O-OD1 3.48Å; N400-N403 PolarHBondContact O-N 3.27Å; N403-L406 PolarHBondContact O-N 2.94Å; N403-I407 WeakPolarHBondContact O-CD1 3.49Å; N403-I407 VanDerWaalsContact O-CG1 3.29Å; N403-I407 WeakPolarHBondContact O-CG1 3.1Å; N403-I407 PolarHBondContact O-N 2.95Å
404Q95.5Very high94.5Very high111 Ų11171.4 Ų71.452%0.51935%0.346SS..Hα-helixtrans-61.4-43.3175-70.8169.87.500112.5N400 K401 R402 I407 V408N400-Q404 WeakPolarHBondContact O-CG 3.45Å; N400-Q404 PolarHBondContact O-N 3.1Å; K401-Q404 WeakPolarHBondContact O-CB 3.37Å; K401-Q404 PolarHBondContact O-N 2.97Å; R402-Q404 VanDerWaalsContact C-N 3.33Å; R402-Q404 PolarHBondContact O-N 3.42Å; Q404-I407 PolarHBondContact O-N 3.06Å; Q404-V408 WeakPolarHBondContact O-CG2 3.31Å; Q404-V408 PolarHBondContact O-N 3.37Å; Q404-V408 VanDerWaalsContact O-N 3.1Å
405L93.7Very high94.4Very high37 Ų3774 Ų7419%0.19436%0.355CS..Hα-helixtrans-64.4-42.3178.3-70.7168.7000111.8P224 L231 K401 R402 V408 A409P224-L405 HydrophobicContact CB-CD1 4.28Å; P224-L405 WeakPolarHBondContact O-CD1 3.27Å; L231-L405 HydrophobicContact CD1-CB 4.1Å; L231-L405 HydrophobicContact CD2-CB 4.2Å; K401-L405 HydrophobicContact CG-CD1 4.46Å; K401-L405 WeakPolarHBondContact O-CG 3.47Å; K401-L405 PolarHBondContact O-N 3.48Å; R402-L405 PolarHBondContact O-N 3.42Å; R402-L405 VanDerWaalsContact O-N 3.12Å; L405-V408 PolarHBondContact O-N 2.88Å; L405-A409 WeakPolarHBondContact O-CB 3.16Å; L405-A409 PolarHBondContact O-N 3.1Å
406L92.1Very high94.2Very high50 Ų5074.5 Ų74.526%0.26237%0.366SS..Hα-helixtrans-60.6-44.5175.5-67.2170.6000111.9L231 Y234 I235 R402 N403 V408 A409 E410L231-L406 HydrophobicContact CD1-CD2 4.25Å; Y234-L406 HydrophobicContact CD1-CD2 4.17Å; Y234-L406 HydrophobicContact CE1-CD1 4.42Å; Y234-L406 HydrophobicContact CE1-CD2 4.34Å; I235-L406 HydrophobicContact CD1-CD2 4.23Å; I235-L406 HydrophobicContact CG1-CD2 3.49Å; I235-L406 VanDerWaalsContact CG1-CD2 3.49Å; R402-L406 WeakPolarHBondContact O-CG 3.33Å; R402-L406 PolarHBondContact O-N 3.06Å; N403-L406 PolarHBondContact O-N 2.94Å; L406-V408 VanDerWaalsContact C-N 3.32Å; L406-V408 PolarHBondContact O-N 3.3Å; L406-A409 PolarHBondContact O-N 3.27Å; L406-E410 PolarHBondContact O-N 3.45Å
407I93.4Very high94.1Very high116 Ų11675.4 Ų75.460%0.59537%0.365SS*.Hα-helixtrans-62.3-39177-69.1163.9000111.5N403 Q404 R411N403-I407 WeakPolarHBondContact O-CD1 3.49Å; N403-I407 VanDerWaalsContact O-CG1 3.29Å; N403-I407 WeakPolarHBondContact O-CG1 3.1Å; N403-I407 PolarHBondContact O-N 2.95Å; Q404-I407 PolarHBondContact O-N 3.06Å; I407-R411 VanDerWaalsContact O-CB 3.28Å; I407-R411 WeakPolarHBondContact O-CB 3.03Å; I407-R411 PolarHBondContact O-N 3.28Å; I407-R411 VanDerWaalsContact O-N 3.13Å
408V93.7Very high94Very high66 Ų6676.2 Ų76.240%0.436%0.364SS..Hα-helixtrans-72.2-37.4176.7172.30000111.7Q404 L405 L406 R412Q404-V408 WeakPolarHBondContact O-CG2 3.31Å; Q404-V408 PolarHBondContact O-N 3.37Å; Q404-V408 VanDerWaalsContact O-N 3.1Å; L405-V408 PolarHBondContact O-N 2.88Å; L406-V408 VanDerWaalsContact C-N 3.32Å; L406-V408 PolarHBondContact O-N 3.3Å; V408-R412 VanDerWaalsContact O-CG 3.31Å; V408-R412 WeakPolarHBondContact O-CG 3.49Å; V408-R412 PolarHBondContact O-N 2.84Å; V408-R412 VanDerWaalsContact O-N 3.1Å
409A92.6Very high93.9Very high3 Ų379.6 Ų79.63%0.02538%0.384CS..Hα-helixtrans-67-48.9176.900000111.9L231 I235 L405 L406 R411 R412 R413L231-A409 HydrophobicContact CD2-CB 4.15Å; L231-A409 HydrophobicContact CG-CB 4.41Å; I235-A409 HydrophobicContact CD1-CB 3.54Å; L405-A409 WeakPolarHBondContact O-CB 3.16Å; L405-A409 PolarHBondContact O-N 3.1Å; L406-A409 PolarHBondContact O-N 3.27Å; A409-R411 VanDerWaalsContact C-N 3.33Å; A409-R411 PolarHBondContact O-N 2.9Å; A409-R412 WeakPolarHBondContact O-CB 3.4Å; A409-R412 PolarHBondContact O-N 3.12Å; A409-R412 VanDerWaalsContact O-N 3.12Å; A409-R413 WeakPolarHBondContact O-CG 3.45Å; A409-R413 PolarHBondContact O-N 2.86Å
410E90.6Very high93.9Very high72 Ų7277.5 Ų77.534%0.33638%0.378SS..Hα-helixtrans-67.8-34.6179.4-171.855.7-15700111.7L406 R412 R413 V414 R417L406-E410 PolarHBondContact O-N 3.45Å; E410-R412 VanDerWaalsContact C-N 3.35Å; E410-R412 PolarHBondContact O-N 2.95Å; E410-R413 PolarHBondContact O-N 3.12Å; E410-R413 VanDerWaalsContact OE2-CD 3.25Å; E410-R413 WeakPolarHBondContact OE2-CD 3.27Å; E410-V414 HydrophobicContact CG-CG2 4.4Å; E410-V414 WeakPolarHBondContact O-CB 3.34Å; E410-V414 WeakPolarHBondContact O-CG2 3.38Å; E410-V414 PolarHBondContact O-N 3.07Å; E410-R417 IonicContact OE1-CZ 2.65Å; E410-R417 IonicContact OE1-NH1 3.68Å; E410-R417 PolarHBondContact OE1-NH1 3.42Å
411R93.9Very high93.7Very high155 Ų15580.6 Ų80.659%0.58539%0.391SS*.Hα-helixtrans-54.6-49.8168.4173.8-177.9-70.6-98.32.7111.5I407 A409 R413 V414 E415I407-R411 VanDerWaalsContact O-CB 3.28Å; I407-R411 WeakPolarHBondContact O-CB 3.03Å; I407-R411 PolarHBondContact O-N 3.28Å; I407-R411 VanDerWaalsContact O-N 3.13Å; A409-R411 VanDerWaalsContact C-N 3.33Å; A409-R411 PolarHBondContact O-N 2.9Å; R411-R413 PolarHBondContact O-N 3.43Å; R411-V414 PolarHBondContact O-N 3.26Å; R411-E415 WeakPolarHBondContact CD-OE1 3.46Å; R411-E415 HydrophobicContact CG-CG 4.33Å; R411-E415 WeakPolarHBondContact CG-OE1 3.33Å; R411-E415 IonicContact NH1-OE1 2.76Å; R411-E415 WeakPolarHBondContact O-CB 3.49Å; R411-E415 VanDerWaalsContact O-CG 3.3Å; R411-E415 WeakPolarHBondContact O-CG 3.39Å; R411-E415 PolarHBondContact O-N 3.26Å
412R93.5Very high93.7Very high169 Ų16978.9 Ų78.964%0.63840%0.396SS*.Hα-helixtrans-63.3-38.9177.8-72.6169.1176.1-176.7-0.7112.4V408 A409 E410 A416V408-R412 VanDerWaalsContact O-CG 3.31Å; V408-R412 WeakPolarHBondContact O-CG 3.49Å; V408-R412 PolarHBondContact O-N 2.84Å; V408-R412 VanDerWaalsContact O-N 3.1Å; A409-R412 WeakPolarHBondContact O-CB 3.4Å; A409-R412 PolarHBondContact O-N 3.12Å; A409-R412 VanDerWaalsContact O-N 3.12Å; E410-R412 VanDerWaalsContact C-N 3.35Å; E410-R412 PolarHBondContact O-N 2.95Å; R412-A416 VanDerWaalsContact O-CB 3.23Å; R412-A416 WeakPolarHBondContact O-CB 3.35Å; R412-A416 PolarHBondContact O-N 3.35Å
413R92.1Very high93.6Very high39 Ų3983.1 Ų83.115%0.14742%0.416CS..Hα-helixtrans-64.7-40.9175.8-72.1167159.5-139.7-0.4111.4E232 I235 N236 E239 A409 E410 R411 R417E232-R413 IonicContact OE2-CZ 2.68Å; E232-R413 IonicContact OE2-NE 3.16Å; E232-R413 PolarHBondContact OE2-NE 2.88Å; E232-R413 VanDerWaalsContact OE2-NE 3.07Å; E232-R413 IonicContact OE2-NH2 2.77Å; E232-R413 PolarHBondContact OE2-NH2 2.73Å; I235-R413 VanDerWaalsContact CG2-NH1 3.3Å; N236-R413 PolarHBondContact OD1-NH2 2.88Å; E239-R413 IonicContact OE1-CZ 3.17Å; E239-R413 IonicContact OE1-NH1 2.64Å; E239-R413 PolarHBondContact OE1-NH1 2.76Å; A409-R413 WeakPolarHBondContact O-CG 3.45Å; A409-R413 PolarHBondContact O-N 2.86Å; E410-R413 PolarHBondContact O-N 3.12Å; E410-R413 VanDerWaalsContact OE2-CD 3.25Å; E410-R413 WeakPolarHBondContact OE2-CD 3.27Å; R411-R413 PolarHBondContact O-N 3.43Å; R413-R417 WeakPolarHBondContact O-CB 3.47Å; R413-R417 WeakPolarHBondContact O-CG 3.29Å; R413-R417 PolarHBondContact O-N 3.49Å
414V92.5Very high93.5Very high68 Ų6887.8 Ų87.841%0.41243%0.429SS..Hα-helixtrans-67.7-47.1173.8171.60000111.7E410 R411 A416 R417 T418E410-V414 HydrophobicContact CG-CG2 4.4Å; E410-V414 WeakPolarHBondContact O-CB 3.34Å; E410-V414 WeakPolarHBondContact O-CG2 3.38Å; E410-V414 PolarHBondContact O-N 3.07Å; R411-V414 PolarHBondContact O-N 3.26Å; V414-A416 VanDerWaalsContact C-N 3.32Å; V414-A416 PolarHBondContact O-N 3.29Å; V414-R417 WeakPolarHBondContact O-CB 3.46Å; V414-R417 PolarHBondContact O-N 3.17Å; V414-R417 VanDerWaalsContact O-N 3.13Å; V414-T418 PolarHBondContact O-N 2.99Å; V414-T418 PolarHBondContact O-OG1 3.4Å
415E93.6Very high93.4Very high85 Ų8586.5 Ų86.540%0.39742%0.423SS..Hα-helixtrans-60.2-40.4176.6-73.1166.1-177.400111.4R411 T418 I419R411-E415 WeakPolarHBondContact CD-OE1 3.46Å; R411-E415 HydrophobicContact CG-CG 4.33Å; R411-E415 WeakPolarHBondContact CG-OE1 3.33Å; R411-E415 IonicContact NH1-OE1 2.76Å; R411-E415 WeakPolarHBondContact O-CB 3.49Å; R411-E415 VanDerWaalsContact O-CG 3.3Å; R411-E415 WeakPolarHBondContact O-CG 3.39Å; R411-E415 PolarHBondContact O-N 3.26Å; E415-T418 PolarHBondContact O-N 3.21Å; E415-T418 PolarHBondContact O-OG1 2.89Å; E415-T418 VanDerWaalsContact O-OG1 3.1Å; E415-I419 WeakPolarHBondContact O-CB 3.31Å; E415-I419 WeakPolarHBondContact O-CD1 3.48Å; E415-I419 WeakPolarHBondContact O-CG1 3.18Å; E415-I419 PolarHBondContact O-N 3.18Å
416A94Very high93.5Very high60 Ų6094 Ų9450%0.49645%0.449SS..Hα-helixtrans-66.7-37.6173.800000112.8R412 V414 A420R412-A416 VanDerWaalsContact O-CB 3.23Å; R412-A416 WeakPolarHBondContact O-CB 3.35Å; R412-A416 PolarHBondContact O-N 3.35Å; V414-A416 VanDerWaalsContact C-N 3.32Å; V414-A416 PolarHBondContact O-N 3.29Å; A416-A420 VanDerWaalsContact O-CB 3.28Å; A416-A420 WeakPolarHBondContact O-CB 3.4Å; A416-A420 PolarHBondContact O-N 2.91Å
417R94Very high93.6Very high135 Ų13597.2 Ų97.251%0.50947%0.466SS..Hα-helixtrans-63.2-47.1174.4-75.5165.8-176.9150.71.7111.2E410 R413 V414 A420 E421E410-R417 IonicContact OE1-CZ 2.65Å; E410-R417 IonicContact OE1-NH1 3.68Å; E410-R417 PolarHBondContact OE1-NH1 3.42Å; R413-R417 WeakPolarHBondContact O-CB 3.47Å; R413-R417 WeakPolarHBondContact O-CG 3.29Å; R413-R417 PolarHBondContact O-N 3.49Å; V414-R417 WeakPolarHBondContact O-CB 3.46Å; V414-R417 PolarHBondContact O-N 3.17Å; V414-R417 VanDerWaalsContact O-N 3.13Å; R417-A420 PolarHBondContact O-N 3.46Å; R417-E421 WeakPolarHBondContact O-CB 3Å; R417-E421 PolarHBondContact O-N 3.06Å
418T95.1Very high93.6Very high73 Ų7399.1 Ų99.145%0.44847%0.465SS..Hα-helixtrans-70-36.4-17957.70000112.8V414 E415 E421 A422V414-T418 PolarHBondContact O-N 2.99Å; V414-T418 PolarHBondContact O-OG1 3.4Å; E415-T418 PolarHBondContact O-N 3.21Å; E415-T418 PolarHBondContact O-OG1 2.89Å; E415-T418 VanDerWaalsContact O-OG1 3.1Å; T418-E421 PolarHBondContact O-N 2.94Å; T418-A422 WeakPolarHBondContact O-CB 3.29Å; T418-A422 PolarHBondContact O-N 3.43Å
419I94.7Very high93.6Very high99 Ų99101.2 Ų101.251%0.50847%0.474SS..Hα-helixtrans-62.4-49.7171.8-69.1165.4000110.3E415 E421 A422 E423E415-I419 WeakPolarHBondContact O-CB 3.31Å; E415-I419 WeakPolarHBondContact O-CD1 3.48Å; E415-I419 WeakPolarHBondContact O-CG1 3.18Å; E415-I419 PolarHBondContact O-N 3.18Å; I419-E421 VanDerWaalsContact C-N 3.27Å; I419-E421 PolarHBondContact O-N 2.92Å; I419-A422 PolarHBondContact O-N 3.1Å; I419-E423 HydrophobicContact CG2-CG 4.47Å; I419-E423 WeakPolarHBondContact O-CG 3.45Å; I419-E423 PolarHBondContact O-N 3.25Å
420A94.6Very high93.7Very high27 Ų27105.1 Ų105.122%0.22349%0.494CS..Hα-helixtrans-64.8-29.4179.600000113.2A416 R417 R424A416-A420 VanDerWaalsContact O-CB 3.28Å; A416-A420 WeakPolarHBondContact O-CB 3.4Å; A416-A420 PolarHBondContact O-N 2.91Å; R417-A420 PolarHBondContact O-N 3.46Å; A420-R424 VanDerWaalsContact O-CD 3.26Å; A420-R424 WeakPolarHBondContact O-CD 3.07Å; A420-R424 WeakPolarHBondContact O-CG 3.36Å; A420-R424 PolarHBondContact O-N 3.43Å
421E93.1Very high93.8Very high129 Ų129106.2 Ų106.260%0.60350%0.499SS*.Hα-helixtrans-71.7-46.7172.6-174.6164.5-147.800111.9R417 T418 I419 E423 R424 E425R417-E421 WeakPolarHBondContact O-CB 3Å; R417-E421 PolarHBondContact O-N 3.06Å; T418-E421 PolarHBondContact O-N 2.94Å; I419-E421 VanDerWaalsContact C-N 3.27Å; I419-E421 PolarHBondContact O-N 2.92Å; E421-E423 VanDerWaalsContact C-N 3.32Å; E421-E423 PolarHBondContact O-N 2.97Å; E421-R424 PolarHBondContact O-N 3.34Å; E421-E425 PolarHBondContact O-N 3.43Å
422A95.5Very high93.8Very high65 Ų65101.9 Ų101.954%0.53749%0.487SS..Hα-helixtrans-62.4-36.1175.500000112.7T418 I419 R426T418-A422 WeakPolarHBondContact O-CB 3.29Å; T418-A422 PolarHBondContact O-N 3.43Å; I419-A422 PolarHBondContact O-N 3.1Å; A422-R426 VanDerWaalsContact O-CB 3.23Å; A422-R426 WeakPolarHBondContact O-CB 3.39Å; A422-R426 PolarHBondContact O-N 2.93Å
423E93.1Very high93.8Very high121 Ų12196.7 Ų96.757%0.56548%0.477SS*.Hα-helixtrans-66.1-43.7173.1-75-176.3160.200112.2I419 E421 R426 L427I419-E423 HydrophobicContact CG2-CG 4.47Å; I419-E423 WeakPolarHBondContact O-CG 3.45Å; I419-E423 PolarHBondContact O-N 3.25Å; E421-E423 VanDerWaalsContact C-N 3.32Å; E421-E423 PolarHBondContact O-N 2.97Å; E423-R426 PolarHBondContact O-N 3.41Å; E423-L427 WeakPolarHBondContact O-CB 3.48Å; E423-L427 VanDerWaalsContact O-CG 3.32Å; E423-L427 WeakPolarHBondContact O-CG 3.3Å; E423-L427 PolarHBondContact O-N 3.1Å
424R93.4Very high93.8Very high164 Ų164100.3 Ų100.362%0.61950%0.496SS*.Hα-helixtrans-62.2-43.3175.6-73.4163.1-170.3156.83.6112A420 E421 L427 R428A420-R424 VanDerWaalsContact O-CD 3.26Å; A420-R424 WeakPolarHBondContact O-CD 3.07Å; A420-R424 WeakPolarHBondContact O-CG 3.36Å; A420-R424 PolarHBondContact O-N 3.43Å; E421-R424 PolarHBondContact O-N 3.34Å; R424-L427 PolarHBondContact O-N 3.49Å; R424-R428 WeakPolarHBondContact O-CG 3.43Å; R424-R428 PolarHBondContact O-N 3.38Å
425E93.1Very high93.8Very high83 Ų83104 Ų10439%0.38850%0.502SS..Hα-helixtrans-71.5-36179.9-165.358.1-15800111.6E421 L427 R428 L429E421-E425 PolarHBondContact O-N 3.43Å; E425-L427 VanDerWaalsContact C-N 3.34Å; E425-L427 PolarHBondContact O-N 3.01Å; E425-R428 PolarHBondContact O-N 2.94Å; E425-R428 WeakPolarHBondContact OE2-CD 3.42Å; E425-R428 IonicContact OE2-CZ 3.71Å; E425-R428 IonicContact OE2-NE 3.87Å; E425-R428 IonicContact OE2-NH1 2.74Å; E425-R428 PolarHBondContact OE2-NH1 3.13Å; E425-L429 WeakPolarHBondContact O-CB 3.21Å; E425-L429 WeakPolarHBondContact O-CG 3.44Å; E425-L429 PolarHBondContact O-N 3.13Å
426R94.1Very high93.8Very high195 Ų195104.9 Ų104.974%0.73651%0.505SS*.Hα-helixtrans-61.4-40.1170.1-177178.5179.5-178.80.4112.5A422 E423 L430A422-R426 VanDerWaalsContact O-CB 3.23Å; A422-R426 WeakPolarHBondContact O-CB 3.39Å; A422-R426 PolarHBondContact O-N 2.93Å; E423-R426 PolarHBondContact O-N 3.41Å; R426-L430 WeakPolarHBondContact O-CB 3.39Å; R426-L430 PolarHBondContact O-N 2.86Å
427L94.3Very high93.8Very high118 Ų118104.3 Ų104.362%0.61850%0.5SS*.Hα-helixtrans-65.8-43175.4-74.9168000111.6E423 R424 E425 L430 E431E423-L427 WeakPolarHBondContact O-CB 3.48Å; E423-L427 VanDerWaalsContact O-CG 3.32Å; E423-L427 WeakPolarHBondContact O-CG 3.3Å; E423-L427 PolarHBondContact O-N 3.1Å; R424-L427 PolarHBondContact O-N 3.49Å; E425-L427 VanDerWaalsContact C-N 3.34Å; E425-L427 PolarHBondContact O-N 3.01Å; L427-L430 PolarHBondContact O-N 3.48Å; L427-E431 PolarHBondContact O-N 2.84Å
428R94Very high93.8Very high155 Ų155101.5 Ų101.559%0.58550%0.498SS*.Hα-helixtrans-59.2-49.8173.5-76.6167.7164.3-178.2-4.6112.3R424 E425 L430 E431 D432R424-R428 WeakPolarHBondContact O-CG 3.43Å; R424-R428 PolarHBondContact O-N 3.38Å; E425-R428 PolarHBondContact O-N 2.94Å; E425-R428 WeakPolarHBondContact OE2-CD 3.42Å; E425-R428 IonicContact OE2-CZ 3.71Å; E425-R428 IonicContact OE2-NE 3.87Å; E425-R428 IonicContact OE2-NH1 2.74Å; E425-R428 PolarHBondContact OE2-NH1 3.13Å; R428-L430 PolarHBondContact O-N 3.23Å; R428-E431 PolarHBondContact O-N 3.39Å; R428-D432 WeakPolarHBondContact O-CB 3.28Å; R428-D432 PolarHBondContact O-N 3.24Å
429L94.8Very high93.7Very high111 Ų111104.1 Ų104.158%0.58151%0.505SS*.Hα-helixtrans-61.5-34.5179-72.1171.6000112.1E425 S433E425-L429 WeakPolarHBondContact O-CB 3.21Å; E425-L429 WeakPolarHBondContact O-CG 3.44Å; E425-L429 PolarHBondContact O-N 3.13Å; L429-S433 VanDerWaalsContact O-CB 3.29Å; L429-S433 WeakPolarHBondContact O-CB 3.49Å; L429-S433 PolarHBondContact O-N 3.31Å; L429-S433 PolarHBondContact O-OG 2.84Å
430L93.5Very high93.6Very high85 Ų85106.6 Ų106.645%0.44551%0.508SS..Hα-helixtrans-67-51.6173-173.8147.2000111R426 L427 R428 D432 S433 E434R426-L430 WeakPolarHBondContact O-CB 3.39Å; R426-L430 PolarHBondContact O-N 2.86Å; L427-L430 PolarHBondContact O-N 3.48Å; R428-L430 PolarHBondContact O-N 3.23Å; L430-D432 VanDerWaalsContact C-N 3.33Å; L430-D432 PolarHBondContact O-N 2.81Å; L430-S433 WeakPolarHBondContact O-CA 3.36Å; L430-S433 WeakPolarHBondContact O-CB 3.25Å; L430-S433 PolarHBondContact O-N 3.32Å; L430-S433 PolarHBondContact O-OG 3.01Å; L430-E434 HydrophobicContact CD2-CG 4.25Å; L430-E434 PolarHBondContact O-N 2.67Å
431E92.3Very high93.5Very high94 Ų94114.5 Ų114.544%0.43953%0.532SS..Hα-helixtrans-58.1-43.8178.3-169.4-174.9175.400111.8L427 R428 S433 E434 R435L427-E431 PolarHBondContact O-N 2.84Å; R428-E431 PolarHBondContact O-N 3.39Å; E431-S433 VanDerWaalsContact C-N 3.33Å; E431-S433 PolarHBondContact O-N 2.88Å; E431-E434 PolarHBondContact O-N 2.91Å; E431-R435 WeakPolarHBondContact O-CB 3.46Å; E431-R435 VanDerWaalsContact O-CG 3.23Å; E431-R435 WeakPolarHBondContact O-CG 3.23Å; E431-R435 PolarHBondContact O-N 3.02Å; E431-R435 IonicContact OE1-CZ 3.09Å; E431-R435 VanDerWaalsContact OE1-CZ 3.29Å; E431-R435 IonicContact OE1-NE 3.09Å; E431-R435 PolarHBondContact OE1-NE 3.07Å; E431-R435 IonicContact OE1-NH2 2.67Å; E431-R435 PolarHBondContact OE1-NH2 3.44Å
432D93.8Very high93.5Very high64 Ų64114.2 Ų114.234%0.34253%0.53SS..Hα-helixtrans-63.7-36.6174.8-111.331.7000112.5R428 L430 K436R428-D432 WeakPolarHBondContact O-CB 3.28Å; R428-D432 PolarHBondContact O-N 3.24Å; L430-D432 VanDerWaalsContact C-N 3.33Å; L430-D432 PolarHBondContact O-N 2.81Å; D432-K436 VanDerWaalsContact O-CB 3.3Å; D432-K436 WeakPolarHBondContact O-CB 3.31Å; D432-K436 VanDerWaalsContact O-CD 3.32Å; D432-K436 WeakPolarHBondContact O-CD 3.28Å; D432-K436 VanDerWaalsContact O-CG 3.23Å; D432-K436 WeakPolarHBondContact O-CG 3.42Å; D432-K436 PolarHBondContact O-N 3.07Å; D432-K436 IonicContact OD2-NZ 2.78Å; D432-K436 PolarHBondContact OD2-NZ 3.03Å
433S93.2Very high93.4Very high61 Ų61113.8 Ų113.843%0.42753%0.527SS..Hα-helixtrans-69.4-35.5176.379.40000112.3L429 L430 E431 A437L429-S433 VanDerWaalsContact O-CB 3.29Å; L429-S433 WeakPolarHBondContact O-CB 3.49Å; L429-S433 PolarHBondContact O-N 3.31Å; L429-S433 PolarHBondContact O-OG 2.84Å; L430-S433 WeakPolarHBondContact O-CA 3.36Å; L430-S433 WeakPolarHBondContact O-CB 3.25Å; L430-S433 PolarHBondContact O-N 3.32Å; L430-S433 PolarHBondContact O-OG 3.01Å; E431-S433 VanDerWaalsContact C-N 3.33Å; E431-S433 PolarHBondContact O-N 2.88Å; S433-A437 VanDerWaalsContact O-CB 3.3Å; S433-A437 WeakPolarHBondContact O-CB 3.48Å; S433-A437 PolarHBondContact O-N 3.02Å
434E93.3Very high93.3Very high114 Ų114114.4 Ų114.453%0.53353%0.53SS..Hα-helixtrans-70.1-47.1174.6-70.9-175.7159.700110.9L430 E431 K436 A437 V438L430-E434 HydrophobicContact CD2-CG 4.25Å; L430-E434 PolarHBondContact O-N 2.67Å; E431-E434 PolarHBondContact O-N 2.91Å; E434-K436 PolarHBondContact O-N 3.44Å; E434-A437 WeakPolarHBondContact O-CA 3.21Å; E434-A437 WeakPolarHBondContact O-CB 3.41Å; E434-A437 PolarHBondContact O-N 2.78Å; E434-V438 WeakPolarHBondContact O-CG2 3.47Å; E434-V438 PolarHBondContact O-N 2.97Å
435R92.5Very high93.4Very high146 Ų146109.5 Ų109.555%0.55152%0.524SS*.Hα-helixtrans-53.4-50.4172.8-71.5166.7177.2-153.21.5111.2E431 A437 V438 E439E431-R435 WeakPolarHBondContact O-CB 3.46Å; E431-R435 VanDerWaalsContact O-CG 3.23Å; E431-R435 WeakPolarHBondContact O-CG 3.23Å; E431-R435 PolarHBondContact O-N 3.02Å; E431-R435 IonicContact OE1-CZ 3.09Å; E431-R435 VanDerWaalsContact OE1-CZ 3.29Å; E431-R435 IonicContact OE1-NE 3.09Å; E431-R435 PolarHBondContact OE1-NE 3.07Å; E431-R435 IonicContact OE1-NH2 2.67Å; E431-R435 PolarHBondContact OE1-NH2 3.44Å; R435-A437 VanDerWaalsContact C-N 3.26Å; R435-A437 PolarHBondContact O-N 3.46Å; R435-V438 PolarHBondContact O-N 3.25Å; R435-E439 WeakPolarHBondContact O-CB 3.23Å; R435-E439 PolarHBondContact O-N 3.46Å
436K93.8Very high93.4Very high104 Ų104111.2 Ų111.245%0.45254%0.536SS..Hα-helixtrans-68-19.3176.6-70.7161.9-177.3148.40113.4D432 E434 R440D432-K436 VanDerWaalsContact O-CB 3.3Å; D432-K436 WeakPolarHBondContact O-CB 3.31Å; D432-K436 VanDerWaalsContact O-CD 3.32Å; D432-K436 WeakPolarHBondContact O-CD 3.28Å; D432-K436 VanDerWaalsContact O-CG 3.23Å; D432-K436 WeakPolarHBondContact O-CG 3.42Å; D432-K436 PolarHBondContact O-N 3.07Å; D432-K436 IonicContact OD2-NZ 2.78Å; D432-K436 PolarHBondContact OD2-NZ 3.03Å; E434-K436 PolarHBondContact O-N 3.44Å; K436-R440 WeakPolarHBondContact O-CG 3.4Å; K436-R440 PolarHBondContact O-N 3.33Å; K436-R440 PolarHBondContact O-NE 2.94Å
437A94.2Very high93.4Very high47 Ų47104.7 Ų104.739%0.38852%0.524SS..Hα-helixtrans-82.3-38.1172.600000111.9S433 E434 R435 R441S433-A437 VanDerWaalsContact O-CB 3.3Å; S433-A437 WeakPolarHBondContact O-CB 3.48Å; S433-A437 PolarHBondContact O-N 3.02Å; E434-A437 WeakPolarHBondContact O-CA 3.21Å; E434-A437 WeakPolarHBondContact O-CB 3.41Å; E434-A437 PolarHBondContact O-N 2.78Å; R435-A437 VanDerWaalsContact C-N 3.26Å; R435-A437 PolarHBondContact O-N 3.46Å; A437-R441 WeakPolarHBondContact O-CB 3.32Å; A437-R441 PolarHBondContact O-N 2.92Å; A437-R441 VanDerWaalsContact O-N 3.09Å
438V94.1Very high93.4Very high77 Ų77101.4 Ų101.447%0.46751%0.513SS..Hα-helixtrans-63.8-51.6172.3173.70000110.4E434 R435 R440 R441 E442E434-V438 WeakPolarHBondContact O-CG2 3.47Å; E434-V438 PolarHBondContact O-N 2.97Å; R435-V438 PolarHBondContact O-N 3.25Å; V438-R440 VanDerWaalsContact C-N 3.35Å; V438-R440 PolarHBondContact O-N 3.04Å; V438-R441 WeakPolarHBondContact O-CA 3.43Å; V438-R441 WeakPolarHBondContact O-CB 3.45Å; V438-R441 PolarHBondContact O-N 3.21Å; V438-E442 HydrophobicContact CG1-CG 4.4Å; V438-E442 WeakPolarHBondContact O-CG 3.49Å; V438-E442 PolarHBondContact O-N 2.99Å
439E92.1Very high93.3Very high128 Ų12899.4 Ų99.460%0.59851%0.51SS*.Hα-helixtrans-55.7-45.6179-177.2-177.4-160.500112.3R435 R441 E442 A443R435-E439 WeakPolarHBondContact O-CB 3.23Å; R435-E439 PolarHBondContact O-N 3.46Å; E439-R441 PolarHBondContact O-N 3.43Å; E439-E442 PolarHBondContact O-N 3.42Å; E439-A443 WeakPolarHBondContact O-CB 3.38Å; E439-A443 PolarHBondContact O-N 2.98Å
440R92.4Very high93.3Very high150 Ų15096.8 Ų96.857%0.56651%0.505SS*.Hα-helixtrans-62.4-42174.6-80.1179.9-69.2165.41.3112.4K436 V438 E442 A443 E444K436-R440 WeakPolarHBondContact O-CG 3.4Å; K436-R440 PolarHBondContact O-N 3.33Å; K436-R440 PolarHBondContact O-NE 2.94Å; V438-R440 VanDerWaalsContact C-N 3.35Å; V438-R440 PolarHBondContact O-N 3.04Å; R440-E442 VanDerWaalsContact C-N 3.32Å; R440-E442 PolarHBondContact O-N 3.4Å; R440-A443 PolarHBondContact O-N 2.93Å; R440-E444 WeakPolarHBondContact O-CB 3.26Å; R440-E444 VanDerWaalsContact O-CG 3.3Å; R440-E444 WeakPolarHBondContact O-CG 3.15Å; R440-E444 PolarHBondContact O-N 2.94Å
441R92.5Very high93.2Very high194 Ų19497.4 Ų97.473%0.73251%0.506SS*.Hα-helixtrans-65.5-35.3178.7-173.6179.6-177.6-179.50.7112.2A437 V438 E439 A445A437-R441 WeakPolarHBondContact O-CB 3.32Å; A437-R441 PolarHBondContact O-N 2.92Å; A437-R441 VanDerWaalsContact O-N 3.09Å; V438-R441 WeakPolarHBondContact O-CA 3.43Å; V438-R441 WeakPolarHBondContact O-CB 3.45Å; V438-R441 PolarHBondContact O-N 3.21Å; E439-R441 PolarHBondContact O-N 3.43Å; R441-A445 WeakPolarHBondContact O-CB 3.33Å; R441-A445 PolarHBondContact O-N 3.45Å
442E92.9Very high93.3Very high122 Ų122101.3 Ų101.357%0.5752%0.517SS*.Hα-helixtrans-71.8-43174.5-70.3177.517300111.4V438 E439 R440 A445 L446V438-E442 HydrophobicContact CG1-CG 4.4Å; V438-E442 WeakPolarHBondContact O-CG 3.49Å; V438-E442 PolarHBondContact O-N 2.99Å; E439-E442 PolarHBondContact O-N 3.42Å; R440-E442 VanDerWaalsContact C-N 3.32Å; R440-E442 PolarHBondContact O-N 3.4Å; E442-A445 PolarHBondContact O-N 3.42Å; E442-L446 WeakPolarHBondContact O-CG 3.49Å; E442-L446 PolarHBondContact O-N 2.94Å
443A93.8Very high93.2Very high57 Ų57102.4 Ų102.447%0.47152%0.522SS..Hα-helixtrans-62.4-41.917400000112.6E439 R440 L446 A447E439-A443 WeakPolarHBondContact O-CB 3.38Å; E439-A443 PolarHBondContact O-N 2.98Å; R440-A443 PolarHBondContact O-N 2.93Å; A443-L446 PolarHBondContact O-N 3.43Å; A443-A447 VanDerWaalsContact O-CB 3.31Å; A443-A447 WeakPolarHBondContact O-CB 3.42Å; A443-A447 PolarHBondContact O-N 2.96Å
444E91.9Very high93.1Very high134 Ų134102.3 Ų102.363%0.62652%0.524SS*.Hα-helixtrans-62.6-40173.2-77.2173.3-165.400112R440 A447 A448R440-E444 WeakPolarHBondContact O-CB 3.26Å; R440-E444 VanDerWaalsContact O-CG 3.3Å; R440-E444 WeakPolarHBondContact O-CG 3.15Å; R440-E444 PolarHBondContact O-N 2.94Å; E444-A447 PolarHBondContact O-N 2.98Å; E444-A448 VanDerWaalsContact O-CB 3.29Å; E444-A448 WeakPolarHBondContact O-CB 3.48Å; E444-A448 PolarHBondContact O-N 3.1Å
445A94.5Very high93.1Very high60 Ų60101.9 Ų101.950%0.49652%0.521SS..Hα-helixtrans-65.1-45.417600000112.1R441 E442 A448 E449R441-A445 WeakPolarHBondContact O-CB 3.33Å; R441-A445 PolarHBondContact O-N 3.45Å; E442-A445 PolarHBondContact O-N 3.42Å; A445-A448 PolarHBondContact O-N 3.38Å; A445-E449 PolarHBondContact O-N 3.14Å
446L94Very high93Very high119 Ų119101.6 Ų101.662%0.62352%0.519SS*.Hα-helixtrans-63.2-42175.5-72.2172.1000111.9E442 A443 E449 A450E442-L446 WeakPolarHBondContact O-CG 3.49Å; E442-L446 PolarHBondContact O-N 2.94Å; A443-L446 PolarHBondContact O-N 3.43Å; L446-E449 PolarHBondContact O-N 2.94Å; L446-A450 WeakPolarHBondContact O-CB 3.49Å; L446-A450 PolarHBondContact O-N 3.05Å
447A93.7Very high92.9Very high59 Ų5999.1 Ų99.149%0.48852%0.518SS..Hα-helixtrans-63.1-42.1175.100000111.8A443 E444 A450 E451A443-A447 VanDerWaalsContact O-CB 3.31Å; A443-A447 WeakPolarHBondContact O-CB 3.42Å; A443-A447 PolarHBondContact O-N 2.96Å; E444-A447 PolarHBondContact O-N 2.98Å; A447-A450 PolarHBondContact O-N 3.31Å; A447-E451 WeakPolarHBondContact O-CB 3.35Å; A447-E451 PolarHBondContact O-N 3.33Å
448A94.4Very high92.8Very high48 Ų4899.9 Ų99.940%0.39753%0.525SS..Hα-helixtrans-67.2-34.6176.200000112.7E444 A445 R452E444-A448 VanDerWaalsContact O-CB 3.29Å; E444-A448 WeakPolarHBondContact O-CB 3.48Å; E444-A448 PolarHBondContact O-N 3.1Å; A445-A448 PolarHBondContact O-N 3.38Å; A448-R452 WeakPolarHBondContact O-CB 3.38Å; A448-R452 WeakPolarHBondContact O-CD 3.29Å; A448-R452 WeakPolarHBondContact O-CG 3.48Å; A448-R452 PolarHBondContact O-N 3.11Å; A448-R452 VanDerWaalsContact O-N 3.08Å
449E92Very high92.6Very high113 Ų113104.8 Ų104.853%0.52854%0.535SS..Hα-helixtrans-69-47171.8177.2152.4-141.900111.7A445 L446 E451 R452 I453A445-E449 PolarHBondContact O-N 3.14Å; L446-E449 PolarHBondContact O-N 2.94Å; E449-E451 VanDerWaalsContact C-N 3.29Å; E449-E451 PolarHBondContact O-N 3.46Å; E449-R452 CarbonylContact O-C 3.6Å; E449-R452 WeakPolarHBondContact O-CA 3.13Å; E449-R452 WeakPolarHBondContact O-CB 3.43Å; E449-R452 PolarHBondContact O-N 2.91Å; E449-I453 HydrophobicContact CG-CD1 3.9Å; E449-I453 HydrophobicContact CG-CG1 4.41Å; E449-I453 WeakPolarHBondContact O-CG1 3.49Å; E449-I453 PolarHBondContact O-N 2.94Å
450A93.7Very high92.3Very high57 Ų57103.2 Ų103.247%0.47153%0.528SS..Hα-helixtrans-56.9-42.7175.700000111.5L446 A447 R452 I453 A454L446-A450 WeakPolarHBondContact O-CB 3.49Å; L446-A450 PolarHBondContact O-N 3.05Å; A447-A450 PolarHBondContact O-N 3.31Å; A450-R452 PolarHBondContact O-N 2.93Å; A450-I453 PolarHBondContact O-N 3.42Å; A450-A454 WeakPolarHBondContact O-CB 3.23Å; A450-A454 PolarHBondContact O-N 2.94Å
451E91.6Very high92Very high98 Ų98100.6 Ų100.646%0.45852%0.522SS..Hα-helixtrans-64.7-38175.1-158.5-144-15900112.1A447 E449 I453 A454 K455A447-E451 WeakPolarHBondContact O-CB 3.35Å; A447-E451 PolarHBondContact O-N 3.33Å; E449-E451 VanDerWaalsContact C-N 3.29Å; E449-E451 PolarHBondContact O-N 3.46Å; E451-I453 VanDerWaalsContact C-N 3.32Å; E451-I453 PolarHBondContact O-N 3.41Å; E451-A454 PolarHBondContact O-N 3.17Å; E451-K455 HydrophobicContact CG-CD 4.28Å; E451-K455 VanDerWaalsContact O-CB 3.27Å; E451-K455 WeakPolarHBondContact O-CB 3.38Å; E451-K455 VanDerWaalsContact O-CG 3.27Å; E451-K455 WeakPolarHBondContact O-CG 3.42Å; E451-K455 PolarHBondContact O-N 2.72Å; E451-K455 WeakPolarHBondContact OE1-CE 3.48Å; E451-K455 IonicContact OE1-NZ 2.75Å; E451-K455 PolarHBondContact OE1-NZ 3.29Å; E451-K455 WeakPolarHBondContact OE2-CE 3.34Å; E451-K455 IonicContact OE2-NZ 3.76Å; E451-K455 PolarHBondContact OE2-NZ 3.33Å
452R94Very high91.8Very high176 Ų17694.6 Ų94.666%0.66451%0.509SS*.Hα-helixtrans-70.5-24.4174.1-71.3167.6100.5152.46.1113.1A448 E449 A450 R456A448-R452 WeakPolarHBondContact O-CB 3.38Å; A448-R452 WeakPolarHBondContact O-CD 3.29Å; A448-R452 WeakPolarHBondContact O-CG 3.48Å; A448-R452 PolarHBondContact O-N 3.11Å; A448-R452 VanDerWaalsContact O-N 3.08Å; E449-R452 CarbonylContact O-C 3.6Å; E449-R452 WeakPolarHBondContact O-CA 3.13Å; E449-R452 WeakPolarHBondContact O-CB 3.43Å; E449-R452 PolarHBondContact O-N 2.91Å; A450-R452 PolarHBondContact O-N 2.93Å; R452-R456 WeakPolarHBondContact O-CG 3.3Å; R452-R456 PolarHBondContact O-N 3.23Å; R452-R456 PolarHBondContact O-NE 3.44Å
453I92.1Very high91.7Very high87 Ų8795.9 Ų95.945%0.44651%0.513SS..Hα-helixtrans-77.2-49.2170.6-67.5167.6000109.7E449 A450 E451 K455 R456 A457E449-I453 HydrophobicContact CG-CD1 3.9Å; E449-I453 HydrophobicContact CG-CG1 4.41Å; E449-I453 WeakPolarHBondContact O-CG1 3.49Å; E449-I453 PolarHBondContact O-N 2.94Å; A450-I453 PolarHBondContact O-N 3.42Å; E451-I453 VanDerWaalsContact C-N 3.32Å; E451-I453 PolarHBondContact O-N 3.41Å; I453-K455 VanDerWaalsContact C-N 3.35Å; I453-K455 PolarHBondContact O-N 2.83Å; I453-R456 WeakPolarHBondContact O-CA 3.47Å; I453-R456 WeakPolarHBondContact O-CB 3.47Å; I453-R456 PolarHBondContact O-N 3.32Å; I453-A457 PolarHBondContact O-N 3.01Å
454A92.2Very high91.5Very high58 Ų5898.6 Ų98.648%0.47951%0.511SS..Hα-helixtrans-58-43.6176.700000112.3A450 E451 R456 A457 A458A450-A454 WeakPolarHBondContact O-CB 3.23Å; A450-A454 PolarHBondContact O-N 2.94Å; E451-A454 PolarHBondContact O-N 3.17Å; A454-R456 VanDerWaalsContact C-N 3.27Å; A454-R456 PolarHBondContact O-N 3.48Å; A454-A457 PolarHBondContact O-N 2.9Å; A454-A458 WeakPolarHBondContact O-CB 3.45Å; A454-A458 PolarHBondContact O-N 3.45Å
455K92.2Very high91.1Very high106 Ų10696.1 Ų96.146%0.46150%0.5SS..Hα-helixtrans-64.2-25.9173.8-75.9172176.6170.40113.4E451 I453 R459E451-K455 HydrophobicContact CG-CD 4.28Å; E451-K455 VanDerWaalsContact O-CB 3.27Å; E451-K455 WeakPolarHBondContact O-CB 3.38Å; E451-K455 VanDerWaalsContact O-CG 3.27Å; E451-K455 WeakPolarHBondContact O-CG 3.42Å; E451-K455 PolarHBondContact O-N 2.72Å; E451-K455 WeakPolarHBondContact OE1-CE 3.48Å; E451-K455 IonicContact OE1-NZ 2.75Å; E451-K455 PolarHBondContact OE1-NZ 3.29Å; E451-K455 WeakPolarHBondContact OE2-CE 3.34Å; E451-K455 IonicContact OE2-NZ 3.76Å; E451-K455 PolarHBondContact OE2-NZ 3.33Å; I453-K455 VanDerWaalsContact C-N 3.35Å; I453-K455 PolarHBondContact O-N 2.83Å; K455-R459 VanDerWaalsContact O-CD 3.24Å; K455-R459 WeakPolarHBondContact O-CD 3.23Å; K455-R459 WeakPolarHBondContact O-CG 3.32Å
456R90.4Very high91Very high139 Ų13998.5 Ų98.553%0.52550%0.503SS..Hα-helixtrans-75.7-52170.8-81177.6-80.4174.9-4.4110.5R452 I453 A454 A458 R459 E460R452-R456 WeakPolarHBondContact O-CG 3.3Å; R452-R456 PolarHBondContact O-N 3.23Å; R452-R456 PolarHBondContact O-NE 3.44Å; I453-R456 WeakPolarHBondContact O-CA 3.47Å; I453-R456 WeakPolarHBondContact O-CB 3.47Å; I453-R456 PolarHBondContact O-N 3.32Å; A454-R456 VanDerWaalsContact C-N 3.27Å; A454-R456 PolarHBondContact O-N 3.48Å; R456-A458 PolarHBondContact O-N 3.27Å; R456-R459 WeakPolarHBondContact O-CB 3.33Å; R456-R459 PolarHBondContact O-N 3.32Å; R456-R459 VanDerWaalsContact O-N 3.11Å; R456-E460 PolarHBondContact O-N 2.93Å; R456-E460 VanDerWaalsContact O-N 3.07Å
457A91.8Very high90.9Very high52 Ų5295.6 Ų95.643%0.4350%0.496SS..Hα-helixtrans-56.7-46.317900000112.5I453 A454 R459 E460 E461I453-A457 PolarHBondContact O-N 3.01Å; A454-A457 PolarHBondContact O-N 2.9Å; A457-R459 VanDerWaalsContact C-N 3.3Å; A457-R459 PolarHBondContact O-N 2.99Å; A457-E460 WeakPolarHBondContact O-CB 3.33Å; A457-E460 PolarHBondContact O-N 2.9Å; A457-E460 VanDerWaalsContact O-N 3.12Å; A457-E461 PolarHBondContact O-N 3.25Å
458A91.8Very high90.8Very high63 Ų6396.6 Ų96.652%0.52149%0.492SS..Hα-helixtrans-63.5-32.5177.900000113.3A454 R456 S462A454-A458 WeakPolarHBondContact O-CB 3.45Å; A454-A458 PolarHBondContact O-N 3.45Å; R456-A458 PolarHBondContact O-N 3.27Å; A458-S462 VanDerWaalsContact O-CB 3.3Å; A458-S462 WeakPolarHBondContact O-CB 3.3Å; A458-S462 PolarHBondContact O-N 2.7Å
459R91.1Very high90.6Very high180 Ų18096.5 Ų96.568%0.67949%0.485SS*.Hα-helixtrans-71.7-33.2173.9-75.1171.3179.6-172.7-1.3112.3K455 R456 A457 K463K455-R459 VanDerWaalsContact O-CD 3.24Å; K455-R459 WeakPolarHBondContact O-CD 3.23Å; K455-R459 WeakPolarHBondContact O-CG 3.32Å; R456-R459 WeakPolarHBondContact O-CB 3.33Å; R456-R459 PolarHBondContact O-N 3.32Å; R456-R459 VanDerWaalsContact O-N 3.11Å; A457-R459 VanDerWaalsContact C-N 3.3Å; A457-R459 PolarHBondContact O-N 2.99Å; R459-K463 VanDerWaalsContact O-CG 3.3Å; R459-K463 WeakPolarHBondContact O-CG 3.36Å; R459-K463 PolarHBondContact O-N 2.96Å
460E85.9Confident90.6Very high96 Ų9699.9 Ų99.945%0.44949%0.493SS..Hα-helixtrans-70.6-44.4171.4-68.5-179.2-166.900111.4R456 A457 S462 K463 R464R456-E460 PolarHBondContact O-N 2.93Å; R456-E460 VanDerWaalsContact O-N 3.07Å; A457-E460 WeakPolarHBondContact O-CB 3.33Å; A457-E460 PolarHBondContact O-N 2.9Å; A457-E460 VanDerWaalsContact O-N 3.12Å; E460-S462 VanDerWaalsContact C-N 3.35Å; E460-S462 PolarHBondContact O-N 3.04Å; E460-K463 CarbonylContact O-C 3.57Å; E460-K463 WeakPolarHBondContact O-CA 3.5Å; E460-K463 WeakPolarHBondContact O-CB 3.39Å; E460-K463 PolarHBondContact O-N 3.38Å; E460-R464 WeakPolarHBondContact O-CG 3.3Å; E460-R464 PolarHBondContact O-N 3.26Å; E460-R464 IonicContact OE2-CZ 3.75Å; E460-R464 IonicContact OE2-NH1 2.99Å; E460-R464 IonicContact OE2-NH2 3.89Å; E460-R464 PolarHBondContact OE2-NH2 3.29Å
461E85.1Confident90.5Very high95 Ų95101.1 Ų101.144%0.44450%0.498SS..Hα-helixtrans-66-39-178.8-156.354-130.700111.9A457 K463 R464 Q465A457-E461 PolarHBondContact O-N 3.25Å; E461-K463 VanDerWaalsContact C-N 3.29Å; E461-K463 PolarHBondContact O-N 2.83Å; E461-R464 PolarHBondContact O-N 2.88Å; E461-R464 VanDerWaalsContact O-N 3.16Å; E461-R464 WeakPolarHBondContact OE2-CD 3.29Å; E461-R464 IonicContact OE2-CZ 3.71Å; E461-R464 IonicContact OE2-NE 2.7Å; E461-R464 IonicContact OE2-NH1 3.67Å; E461-R464 PolarHBondContact OE2-NH1 3.09Å; E461-Q465 WeakPolarHBondContact O-CB 3.38Å; E461-Q465 PolarHBondContact O-N 2.66Å
462S88.5Confident90.5Very high67 Ų67101.1 Ų101.147%0.46950%0.496SS..Hα-helixtrans-56.8-41.3169.6-179.10000112.2A458 E460 I466A458-S462 VanDerWaalsContact O-CB 3.3Å; A458-S462 WeakPolarHBondContact O-CB 3.3Å; A458-S462 PolarHBondContact O-N 2.7Å; E460-S462 VanDerWaalsContact C-N 3.35Å; E460-S462 PolarHBondContact O-N 3.04Å; S462-I466 WeakPolarHBondContact O-CB 3.37Å; S462-I466 WeakPolarHBondContact O-CD1 3.35Å; S462-I466 WeakPolarHBondContact O-CG1 3.42Å; S462-I466 PolarHBondContact O-N 3.45Å
463K89.5Confident90.4Very high149 Ų149100.9 Ų100.965%0.64850%0.495SS*.Hα-helixtrans-67-41.6174.5-69.4168-179.2-179.10112.2R459 E460 E461 I466 A467R459-K463 VanDerWaalsContact O-CG 3.3Å; R459-K463 WeakPolarHBondContact O-CG 3.36Å; R459-K463 PolarHBondContact O-N 2.96Å; E460-K463 CarbonylContact O-C 3.57Å; E460-K463 WeakPolarHBondContact O-CA 3.5Å; E460-K463 WeakPolarHBondContact O-CB 3.39Å; E460-K463 PolarHBondContact O-N 3.38Å; E461-K463 VanDerWaalsContact C-N 3.29Å; E461-K463 PolarHBondContact O-N 2.83Å; K463-I466 PolarHBondContact O-N 2.88Å; K463-A467 WeakPolarHBondContact O-CB 3.45Å; K463-A467 PolarHBondContact O-N 3.21Å
464R90.2Very high90.4Very high115 Ų115101.2 Ų101.243%0.43450%0.497SS..Hα-helixtrans-59.8-48.9175.7-68.2179.1-168.9106.511.4110.5E460 E461 I466 A467 I468E460-R464 WeakPolarHBondContact O-CG 3.3Å; E460-R464 PolarHBondContact O-N 3.26Å; E460-R464 IonicContact OE2-CZ 3.75Å; E460-R464 IonicContact OE2-NH1 2.99Å; E460-R464 IonicContact OE2-NH2 3.89Å; E460-R464 PolarHBondContact OE2-NH2 3.29Å; E461-R464 PolarHBondContact O-N 2.88Å; E461-R464 VanDerWaalsContact O-N 3.16Å; E461-R464 WeakPolarHBondContact OE2-CD 3.29Å; E461-R464 IonicContact OE2-CZ 3.71Å; E461-R464 IonicContact OE2-NE 2.7Å; E461-R464 IonicContact OE2-NH1 3.67Å; E461-R464 PolarHBondContact OE2-NH1 3.09Å; R464-I466 PolarHBondContact O-N 3Å; R464-A467 PolarHBondContact O-N 3.23Å; R464-I468 VanDerWaalsContact O-CG1 3.31Å; R464-I468 WeakPolarHBondContact O-CG1 3.48Å; R464-I468 PolarHBondContact O-N 3.21Å
465Q85Confident90.3Very high82 Ų82106 Ų10638%0.38351%0.507SS..Hα-helixtrans-61.1-45.7178.1-173.359.735.200112.4E461 A467 I468 D469E461-Q465 WeakPolarHBondContact O-CB 3.38Å; E461-Q465 PolarHBondContact O-N 2.66Å; Q465-A467 VanDerWaalsContact C-N 3.3Å; Q465-A467 PolarHBondContact O-N 3.38Å; Q465-I468 PolarHBondContact O-N 2.82Å; Q465-D469 VanDerWaalsContact NE2-CG 3.26Å; Q465-D469 PolarHBondContact NE2-OD1 2.8Å; Q465-D469 PolarHBondContact NE2-OD2 2.98Å; Q465-D469 PolarHBondContact O-N 3.24Å
466I92Very high90.2Very high109 Ų109106.5 Ų106.556%0.55951%0.511SS*.Hα-helixtrans-60.1-39.7175.9-71165.1000111.3S462 K463 R464 R470S462-I466 WeakPolarHBondContact O-CB 3.37Å; S462-I466 WeakPolarHBondContact O-CD1 3.35Å; S462-I466 WeakPolarHBondContact O-CG1 3.42Å; S462-I466 PolarHBondContact O-N 3.45Å; K463-I466 PolarHBondContact O-N 2.88Å; R464-I466 PolarHBondContact O-N 3Å; I466-R470 VanDerWaalsContact O-CB 3.3Å; I466-R470 WeakPolarHBondContact O-CB 3.36Å; I466-R470 PolarHBondContact O-N 3.4Å
467A92.1Very high90.3Very high59 Ų59105.2 Ų105.249%0.48851%0.511SS..Hα-helixtrans-67.5-42.4176.200000112.4K463 R464 Q465 R470 C471K463-A467 WeakPolarHBondContact O-CB 3.45Å; K463-A467 PolarHBondContact O-N 3.21Å; R464-A467 PolarHBondContact O-N 3.23Å; Q465-A467 VanDerWaalsContact C-N 3.3Å; Q465-A467 PolarHBondContact O-N 3.38Å; A467-R470 PolarHBondContact O-N 2.76Å; A467-C471 WeakPolarHBondContact O-CB 3.48Å; A467-C471 PolarHBondContact O-N 3.4Å
468I90.2Very high90.3Very high80 Ų80107.9 Ų107.941%0.4152%0.517SS..Hα-helixtrans-59.9-49.4175.5-72.7164.6000110.6R464 Q465 R470 C471 K472R464-I468 VanDerWaalsContact O-CG1 3.31Å; R464-I468 WeakPolarHBondContact O-CG1 3.48Å; R464-I468 PolarHBondContact O-N 3.21Å; Q465-I468 PolarHBondContact O-N 2.82Å; I468-R470 PolarHBondContact O-N 3.49Å; I468-C471 WeakPolarHBondContact O-CB 3.43Å; I468-C471 PolarHBondContact O-N 2.95Å; I468-C471 VanDerWaalsContact O-N 3.15Å; I468-K472 WeakPolarHBondContact O-CG 3.47Å; I468-K472 PolarHBondContact O-N 3.35Å
469D90.5Very high90.3Very high46 Ų46109.7 Ų109.725%0.24652%0.518CS..Hα-helixtrans-71.8-29.3-178-67.9-26.9000112.6Q465 K472 R473Q465-D469 VanDerWaalsContact NE2-CG 3.26Å; Q465-D469 PolarHBondContact NE2-OD1 2.8Å; Q465-D469 PolarHBondContact NE2-OD2 2.98Å; Q465-D469 PolarHBondContact O-N 3.24Å; D469-K472 PolarHBondContact O-N 3.47Å; D469-K472 WeakPolarHBondContact OD1-CD 3.12Å; D469-K472 WeakPolarHBondContact OD1-CE 3.31Å; D469-K472 IonicContact OD1-NZ 3.35Å; D469-K472 PolarHBondContact OD1-NZ 3.44Å; D469-R473 WeakPolarHBondContact O-CG 3.36Å; D469-R473 PolarHBondContact O-N 3.36Å; D469-R473 VanDerWaalsContact O-N 3.08Å
470R93.5Very high90.3Very high183 Ų183108.9 Ų108.969%0.69152%0.519SS*.Hα-helixtrans-63.7-41.5168.3-165.4179.8-163.1-176.16.3111.4I466 A467 I468 R473 I474I466-R470 VanDerWaalsContact O-CB 3.3Å; I466-R470 WeakPolarHBondContact O-CB 3.36Å; I466-R470 PolarHBondContact O-N 3.4Å; A467-R470 PolarHBondContact O-N 2.76Å; I468-R470 PolarHBondContact O-N 3.49Å; R470-R473 PolarHBondContact O-N 2.94Å; R470-I474 HydrophobicContact CG-CD1 4.23Å; R470-I474 WeakPolarHBondContact O-CG1 3.38Å; R470-I474 PolarHBondContact O-N 3.02Å; R470-I474 VanDerWaalsContact O-N 3.14Å
471C90.2Very high90.5Very high84 Ų84109.9 Ų109.957%0.56852%0.522SS*.Hα-helixtrans-64.1-43.3176.2-170.90000111.9A467 I468 I474 K475A467-C471 WeakPolarHBondContact O-CB 3.48Å; A467-C471 PolarHBondContact O-N 3.4Å; I468-C471 WeakPolarHBondContact O-CB 3.43Å; I468-C471 PolarHBondContact O-N 2.95Å; I468-C471 VanDerWaalsContact O-N 3.15Å; C471-I474 PolarHBondContact O-N 3.24Å; C471-K475 WeakPolarHBondContact O-CB 3.15Å; C471-K475 PolarHBondContact O-N 2.84Å
472K91.8Very high90.8Very high98 Ų98110.8 Ų110.843%0.42652%0.524SS..Hα-helixtrans-56.2-53.1173.4-68.4174.2-168.21580111.8I468 D469 I474 K475 E476I468-K472 WeakPolarHBondContact O-CG 3.47Å; I468-K472 PolarHBondContact O-N 3.35Å; D469-K472 PolarHBondContact O-N 3.47Å; D469-K472 WeakPolarHBondContact OD1-CD 3.12Å; D469-K472 WeakPolarHBondContact OD1-CE 3.31Å; D469-K472 IonicContact OD1-NZ 3.35Å; D469-K472 PolarHBondContact OD1-NZ 3.44Å; K472-I474 VanDerWaalsContact C-N 3.35Å; K472-I474 PolarHBondContact O-N 3.33Å; K472-K475 CarbonylContact O-C 3.59Å; K472-K475 WeakPolarHBondContact O-CA 3.43Å; K472-K475 WeakPolarHBondContact O-CB 3.36Å; K472-K475 PolarHBondContact O-N 2.91Å; K472-E476 WeakPolarHBondContact O-CG 3.48Å; K472-E476 PolarHBondContact O-N 3.06Å
473R91.7Very high90.8Very high171 Ų171111.4 Ų111.465%0.64552%0.522SS*.Hα-helixtrans-57.8-43.4-179.7-69.7175.3-163.6-178.65.9112.7D469 R470 K475 E476 E477D469-R473 WeakPolarHBondContact O-CG 3.36Å; D469-R473 PolarHBondContact O-N 3.36Å; D469-R473 VanDerWaalsContact O-N 3.08Å; R470-R473 PolarHBondContact O-N 2.94Å; R473-K475 VanDerWaalsContact C-N 3.33Å; R473-K475 PolarHBondContact O-N 2.9Å; R473-E476 PolarHBondContact O-N 2.91Å; R473-E477 PolarHBondContact O-N 3.32Å
474I91.7Very high90.7Very high93 Ų93107.7 Ų107.748%0.47751%0.514SS..Hα-helixtrans-62-42.1176.4-67.8165.7000110.7R470 C471 K472 E477 L478R470-I474 HydrophobicContact CG-CD1 4.23Å; R470-I474 WeakPolarHBondContact O-CG1 3.38Å; R470-I474 PolarHBondContact O-N 3.02Å; R470-I474 VanDerWaalsContact O-N 3.14Å; C471-I474 PolarHBondContact O-N 3.24Å; K472-I474 VanDerWaalsContact C-N 3.35Å; K472-I474 PolarHBondContact O-N 3.33Å; I474-E477 PolarHBondContact O-N 2.93Å; I474-L478 HydrophobicContact CG2-CD1 4.11Å; I474-L478 WeakPolarHBondContact O-CB 3.46Å; I474-L478 VanDerWaalsContact O-CG 3.29Å; I474-L478 WeakPolarHBondContact O-CG 3.37Å; I474-L478 PolarHBondContact O-N 2.96Å
475K90.8Very high90.7Very high158 Ų158107.1 Ų107.169%0.68752%0.519SS*.Hα-helixtrans-65.9-39.2176.9-169.3176.7-178.6179.40112.3C471 K472 R473 L478 L479C471-K475 WeakPolarHBondContact O-CB 3.15Å; C471-K475 PolarHBondContact O-N 2.84Å; K472-K475 CarbonylContact O-C 3.59Å; K472-K475 WeakPolarHBondContact O-CA 3.43Å; K472-K475 WeakPolarHBondContact O-CB 3.36Å; K472-K475 PolarHBondContact O-N 2.91Å; R473-K475 VanDerWaalsContact C-N 3.33Å; R473-K475 PolarHBondContact O-N 2.9Å; K475-L478 PolarHBondContact O-N 3.27Å; K475-L479 WeakPolarHBondContact O-CB 3.39Å; K475-L479 PolarHBondContact O-N 3.37Å
476E91Very high90.9Very high118 Ų118107.5 Ų107.555%0.55152%0.521SS*.Hα-helixtrans-66.7-42.5175.7-72.7161.1-163.200112.1K472 R473 L479 K480K472-E476 WeakPolarHBondContact O-CG 3.48Å; K472-E476 PolarHBondContact O-N 3.06Å; R473-E476 PolarHBondContact O-N 2.91Å; E476-L479 PolarHBondContact O-N 2.91Å; E476-K480 WeakPolarHBondContact O-CB 3.41Å; E476-K480 PolarHBondContact O-N 3.49Å
477E91.8Very high90.8Very high111 Ų111107.6 Ų107.652%0.51952%0.519SS..Hα-helixtrans-61.7-43.6173.3-80.6-171.4-15000112.5R473 I474 L479 K480 K481R473-E477 PolarHBondContact O-N 3.32Å; I474-E477 PolarHBondContact O-N 2.93Å; E477-L479 VanDerWaalsContact C-N 3.35Å; E477-K480 PolarHBondContact O-N 2.92Å; E477-K481 WeakPolarHBondContact O-CB 3.27Å; E477-K481 VanDerWaalsContact O-CG 3.3Å; E477-K481 WeakPolarHBondContact O-CG 3.43Å; E477-K481 PolarHBondContact O-N 3.2Å; E477-K481 IonicContact OE2-NZ 3.66Å; E477-K481 PolarHBondContact OE2-NZ 2.65Å
478L92.8Very high90.7Very high108 Ų108112 Ų11257%0.56552%0.524SS*.Hα-helixtrans-64.3-40.4176.3-72.3170.7000111.4I474 K475 K481 K482I474-L478 HydrophobicContact CG2-CD1 4.11Å; I474-L478 WeakPolarHBondContact O-CB 3.46Å; I474-L478 VanDerWaalsContact O-CG 3.29Å; I474-L478 WeakPolarHBondContact O-CG 3.37Å; I474-L478 PolarHBondContact O-N 2.96Å; K475-L478 PolarHBondContact O-N 3.27Å; L478-K481 PolarHBondContact O-N 3.12Å; L478-K482 PolarHBondContact O-N 2.65Å
479L91.3Very high90.8Very high102 Ų102116.5 Ų116.553%0.53454%0.536SS..Hα-helixtrans-64.1-44.2174.6-176.262.2000111.7K475 E476 E477 K481 K482 I483K475-L479 WeakPolarHBondContact O-CB 3.39Å; K475-L479 PolarHBondContact O-N 3.37Å; E476-L479 PolarHBondContact O-N 2.91Å; E477-L479 VanDerWaalsContact C-N 3.35Å; L479-K481 PolarHBondContact O-N 3.09Å; L479-K482 WeakPolarHBondContact O-CB 3.24Å; L479-K482 PolarHBondContact O-N 3.08Å; L479-I483 HydrophobicContact CD1-CD1 4.47Å; L479-I483 HydrophobicContact CG-CD1 4.09Å; L479-I483 WeakPolarHBondContact O-CG1 3.33Å; L479-I483 PolarHBondContact O-N 3.48Å
480K90.5Very high90.9Very high163 Ų163122.9 Ų122.971%0.70956%0.556SS**Hα-helixtrans-63.7-40176.9-170.4174-177.2176.90112.2E476 E477 I483 S484E476-K480 WeakPolarHBondContact O-CB 3.41Å; E476-K480 PolarHBondContact O-N 3.49Å; E477-K480 PolarHBondContact O-N 2.92Å; K480-I483 PolarHBondContact O-N 3.03Å; K480-S484 WeakPolarHBondContact O-CB 3.18Å; K480-S484 PolarHBondContact O-N 3.33Å
481K90.1Very high90.8Very high116 Ų116117.9 Ų117.950%0.50454%0.543SS..Hα-helixtrans-62.3-41.4171.9-75.3163.4-179.91570111.4E477 L478 L479 L485E477-K481 WeakPolarHBondContact O-CB 3.27Å; E477-K481 VanDerWaalsContact O-CG 3.3Å; E477-K481 WeakPolarHBondContact O-CG 3.43Å; E477-K481 PolarHBondContact O-N 3.2Å; E477-K481 IonicContact OE2-NZ 3.66Å; E477-K481 PolarHBondContact OE2-NZ 2.65Å; L478-K481 PolarHBondContact O-N 3.12Å; L479-K481 PolarHBondContact O-N 3.09Å; K481-L485 WeakPolarHBondContact O-CG 3.27Å; K481-L485 PolarHBondContact O-N 2.89Å; K481-L485 VanDerWaalsContact O-N 3.08Å
482K91Very high90.9Very high115 Ų115116 Ų11650%0.553%0.529SS..Hα-helixtrans-62.4-49.6174.9-178.2-179.7171-177.20112L478 L479 S484 L485 E486L478-K482 PolarHBondContact O-N 2.65Å; L479-K482 WeakPolarHBondContact O-CB 3.24Å; L479-K482 PolarHBondContact O-N 3.08Å; K482-S484 VanDerWaalsContact C-N 3.35Å; K482-S484 PolarHBondContact O-N 3.42Å; K482-L485 PolarHBondContact O-N 2.89Å; K482-E486 VanDerWaalsContact CE-CD 3.49Å; K482-E486 WeakPolarHBondContact CE-OE1 3.46Å; K482-E486 IonicContact NZ-OE1 3.69Å; K482-E486 PolarHBondContact O-N 3.44Å
483I88.6Confident90.9Very high80 Ų80113.8 Ų113.841%0.4153%0.529SS..Hα-helixtrans-56.7-49178-68163.8000110.2L479 K480 L485 E486 E487L479-I483 HydrophobicContact CD1-CD1 4.47Å; L479-I483 HydrophobicContact CG-CD1 4.09Å; L479-I483 WeakPolarHBondContact O-CG1 3.33Å; L479-I483 PolarHBondContact O-N 3.48Å; K480-I483 PolarHBondContact O-N 3.03Å; I483-L485 VanDerWaalsContact C-N 3.31Å; I483-L485 PolarHBondContact O-N 2.88Å; I483-E486 CarbonylContact O-C 3.51Å; I483-E486 PolarHBondContact O-N 3.46Å; I483-E487 HydrophobicContact CG2-CG 4.29Å; I483-E487 WeakPolarHBondContact O-CG 3.34Å; I483-E487 PolarHBondContact O-N 2.85Å
484S88Confident90.9Very high70 Ų70109.3 Ų109.349%0.4952%0.517SS..Hα-helixtrans-61.7-35.5179.3-175.60000113.3K480 K482 Y488K480-S484 WeakPolarHBondContact O-CB 3.18Å; K480-S484 PolarHBondContact O-N 3.33Å; K482-S484 VanDerWaalsContact C-N 3.35Å; K482-S484 PolarHBondContact O-N 3.42Å; S484-Y488 WeakPolarHBondContact O-CB 3.38Å; S484-Y488 PolarHBondContact O-N 2.97Å
485L89.5Confident91Very high103 Ų103112.7 Ų112.754%0.53952%0.524SS..Hα-helixtrans-69-35.7173-75168.3000112.6K481 K482 I483 R489K481-L485 WeakPolarHBondContact O-CG 3.27Å; K481-L485 PolarHBondContact O-N 2.89Å; K481-L485 VanDerWaalsContact O-N 3.08Å; K482-L485 PolarHBondContact O-N 2.89Å; I483-L485 VanDerWaalsContact C-N 3.31Å; I483-L485 PolarHBondContact O-N 2.88Å; L485-R489 WeakPolarHBondContact O-CB 3.33Å; L485-R489 WeakPolarHBondContact O-CD 3.43Å; L485-R489 WeakPolarHBondContact O-CG 3.19Å; L485-R489 PolarHBondContact O-N 2.98Å
486E90.1Very high91.1Very high90 Ų90112 Ų11242%0.42152%0.521SS..Hα-helixtrans-72.8-38176.3-72.7172.5168.100111.6K482 I483 R489 R490K482-E486 VanDerWaalsContact CE-CD 3.49Å; K482-E486 WeakPolarHBondContact CE-OE1 3.46Å; K482-E486 IonicContact NZ-OE1 3.69Å; K482-E486 PolarHBondContact O-N 3.44Å; I483-E486 CarbonylContact O-C 3.51Å; I483-E486 PolarHBondContact O-N 3.46Å; E486-R489 PolarHBondContact O-N 2.9Å; E486-R490 WeakPolarHBondContact O-CB 3.3Å; E486-R490 PolarHBondContact O-N 3.45Å
487E90.1Very high91.1Very high111 Ų111111.1 Ų111.152%0.51952%0.523SS..Hα-helixtrans-63-45.4169.6-71.4178.6143.600112.1I483 R489 R490 I491I483-E487 HydrophobicContact CG2-CG 4.29Å; I483-E487 WeakPolarHBondContact O-CG 3.34Å; I483-E487 PolarHBondContact O-N 2.85Å; E487-R489 PolarHBondContact O-N 3.19Å; E487-R490 WeakPolarHBondContact O-CB 3.44Å; E487-R490 PolarHBondContact O-N 2.96Å; E487-R490 VanDerWaalsContact O-N 3.15Å; E487-I491 WeakPolarHBondContact O-CG1 3.45Å; E487-I491 PolarHBondContact O-N 3.12Å
488Y89.5Confident91.1Very high152 Ų152111.2 Ų111.260%0.59652%0.523SS*.Hα-helixtrans-60.9-44.9175.7-179.8-102.8000111.6S484 R490 I491 V492S484-Y488 WeakPolarHBondContact O-CB 3.38Å; S484-Y488 PolarHBondContact O-N 2.97Å; Y488-R490 VanDerWaalsContact C-N 3.32Å; Y488-R490 PolarHBondContact O-N 3.32Å; Y488-I491 PolarHBondContact O-N 3.12Å; Y488-V492 HydrophobicContact CD1-CG2 4.31Å; Y488-V492 HydrophobicContact CE1-CG2 3.88Å; Y488-V492 HydrophobicContact CE2-CG2 4.12Å; Y488-V492 WeakPolarHBondContact O-CG2 3.3Å; Y488-V492 PolarHBondContact O-N 3.45Å
489R91.5Very high91.1Very high174 Ų174107.7 Ų107.766%0.65751%0.513SS*.Hα-helixtrans-57.7-43172.7-75.7166.4175-173.2-2.2111.7L485 E486 E487 V492 A493L485-R489 WeakPolarHBondContact O-CB 3.33Å; L485-R489 WeakPolarHBondContact O-CD 3.43Å; L485-R489 WeakPolarHBondContact O-CG 3.19Å; L485-R489 PolarHBondContact O-N 2.98Å; E486-R489 PolarHBondContact O-N 2.9Å; E487-R489 PolarHBondContact O-N 3.19Å; R489-V492 PolarHBondContact O-N 2.85Å; R489-A493 WeakPolarHBondContact O-CB 3.39Å; R489-A493 PolarHBondContact O-N 3.34Å
490R92.5Very high91Very high180 Ų180108 Ų10868%0.67951%0.514SS*.Hα-helixtrans-63.5-44.7176.8-173.5-178.2-179.8-165.90.8112.2E486 E487 Y488 A493 I494E486-R490 WeakPolarHBondContact O-CB 3.3Å; E486-R490 PolarHBondContact O-N 3.45Å; E487-R490 WeakPolarHBondContact O-CB 3.44Å; E487-R490 PolarHBondContact O-N 2.96Å; E487-R490 VanDerWaalsContact O-N 3.15Å; Y488-R490 VanDerWaalsContact C-N 3.32Å; Y488-R490 PolarHBondContact O-N 3.32Å; R490-A493 PolarHBondContact O-N 3Å; R490-I494 HydrophobicContact CG-CD1 4.06Å; R490-I494 WeakPolarHBondContact O-CG1 3.49Å; R490-I494 PolarHBondContact O-N 3.09Å
491I92.4Very high91Very high78 Ų78109.8 Ų109.840%0.452%0.516SS..Hα-helixtrans-64.2-42.2177.2-68.3164.6000110.9E487 Y488 A493 I494 R495E487-I491 WeakPolarHBondContact O-CG1 3.45Å; E487-I491 PolarHBondContact O-N 3.12Å; Y488-I491 PolarHBondContact O-N 3.12Å; I491-A493 VanDerWaalsContact C-N 3.34Å; I491-A493 PolarHBondContact O-N 3.35Å; I491-I494 PolarHBondContact O-N 3.45Å; I491-R495 WeakPolarHBondContact O-CB 3.45Å; I491-R495 WeakPolarHBondContact O-CG 3.47Å; I491-R495 PolarHBondContact O-N 3.48Å
492V92.7Very high91.2Very high45 Ų45109.3 Ų109.327%0.27352%0.518SS..Hα-helixtrans-64.2-38.2174.9170.90000111.5Y488 R489 K496Y488-V492 HydrophobicContact CD1-CG2 4.31Å; Y488-V492 HydrophobicContact CE1-CG2 3.88Å; Y488-V492 HydrophobicContact CE2-CG2 4.12Å; Y488-V492 WeakPolarHBondContact O-CG2 3.3Å; Y488-V492 PolarHBondContact O-N 3.45Å; R489-V492 PolarHBondContact O-N 2.85Å; V492-K496 HydrophobicContact CG1-CD 4.47Å; V492-K496 WeakPolarHBondContact O-CG 3.47Å; V492-K496 PolarHBondContact O-N 3.35Å
493A91.4Very high91Very high52 Ų52108.9 Ų108.943%0.4352%0.52SS..Hα-helixtrans-65.4-45.9174.800000112.3R489 R490 I491 K496 V497R489-A493 WeakPolarHBondContact O-CB 3.39Å; R489-A493 PolarHBondContact O-N 3.34Å; R490-A493 PolarHBondContact O-N 3Å; I491-A493 VanDerWaalsContact C-N 3.34Å; I491-A493 PolarHBondContact O-N 3.35Å; A493-K496 WeakPolarHBondContact O-CB 3.43Å; A493-K496 PolarHBondContact O-N 2.9Å; A493-V497 WeakPolarHBondContact O-CG2 3.35Å; A493-V497 PolarHBondContact O-N 2.97Å
494I92.3Very high90.9Very high77 Ų77109 Ų10940%0.39553%0.525SS..Hα-helixtrans-57.9-51.5175.8-70164.6000110.3R490 I491 K496 V497 E498R490-I494 HydrophobicContact CG-CD1 4.06Å; R490-I494 WeakPolarHBondContact O-CG1 3.49Å; R490-I494 PolarHBondContact O-N 3.09Å; I491-I494 PolarHBondContact O-N 3.45Å; I494-K496 VanDerWaalsContact C-N 3.27Å; I494-K496 PolarHBondContact O-N 3.11Å; I494-V497 PolarHBondContact O-N 3.31Å; I494-E498 HydrophobicContact CG2-CG 4.23Å; I494-E498 WeakPolarHBondContact O-CG 3.47Å; I494-E498 PolarHBondContact O-N 3.37Å
495R93.6Very high91Very high164 Ų164111.8 Ų111.862%0.61953%0.528SS*.Hα-helixtrans-60.4-32.6178.5-73.1176.2177.7171.1-0.3113.5I491 G499I491-R495 WeakPolarHBondContact O-CB 3.45Å; I491-R495 WeakPolarHBondContact O-CG 3.47Å; I491-R495 PolarHBondContact O-N 3.48Å; R495-G499 PolarHBondContact O-N 2.83Å
496K92.5Very high91.1Very high144 Ų144110.6 Ų110.663%0.62652%0.522SS*.Hα-helixtrans-66.3-44.5172.2-78.6179177.7-1710111.6V492 A493 I494 G499 I500V492-K496 HydrophobicContact CG1-CD 4.47Å; V492-K496 WeakPolarHBondContact O-CG 3.47Å; V492-K496 PolarHBondContact O-N 3.35Å; A493-K496 WeakPolarHBondContact O-CB 3.43Å; A493-K496 PolarHBondContact O-N 2.9Å; I494-K496 VanDerWaalsContact C-N 3.27Å; I494-K496 PolarHBondContact O-N 3.11Å; K496-G499 PolarHBondContact O-N 3.07Å; K496-I500 WeakPolarHBondContact O-CB 3.3Å; K496-I500 WeakPolarHBondContact O-CD1 3.37Å; K496-I500 VanDerWaalsContact O-CG1 3.24Å; K496-I500 WeakPolarHBondContact O-CG1 3.31Å; K496-I500 PolarHBondContact O-N 3.34Å
497V91.8Very high91.2Very high98 Ų98111.1 Ų111.159%0.59453%0.527SS*.Hα-helixtrans-66-40.9176.9174.60000111.5A493 I494 I500 R501A493-V497 WeakPolarHBondContact O-CG2 3.35Å; A493-V497 PolarHBondContact O-N 2.97Å; I494-V497 PolarHBondContact O-N 3.31Å; V497-I500 PolarHBondContact O-N 3.37Å; V497-R501 WeakPolarHBondContact O-CB 3.46Å; V497-R501 PolarHBondContact O-N 3.46Å
498E91.4Very high91.1Very high114 Ų114108.6 Ų108.653%0.53353%0.525SS..Hα-helixtrans-63.8-43.7174.2-69.4171.3154.500112I494 R501 L502I494-E498 HydrophobicContact CG2-CG 4.23Å; I494-E498 WeakPolarHBondContact O-CG 3.47Å; I494-E498 PolarHBondContact O-N 3.37Å; E498-R501 PolarHBondContact O-N 2.87Å; E498-L502 WeakPolarHBondContact O-CB 3.35Å; E498-L502 PolarHBondContact O-N 2.97Å
499G91.2Very high91.2Very high33 Ų33107.9 Ų107.934%0.3453%0.525SS..Hα-helixtrans-62.2-42.117500000112.7R495 K496 L502 M503R495-G499 PolarHBondContact O-N 2.83Å; K496-G499 PolarHBondContact O-N 3.07Å; G499-L502 PolarHBondContact O-N 3.08Å; G499-M503 WeakPolarHBondContact O-CB 3.48Å; G499-M503 WeakPolarHBondContact O-CG 3.38Å; G499-M503 PolarHBondContact O-N 2.96Å
500I90.7Very high91.2Very high110 Ų110105 Ų10556%0.56452%0.521SS*.Hα-helixtrans-60.6-50.5171.7-70.2163.3000109.9K496 V497 L502 M503 T504K496-I500 WeakPolarHBondContact O-CB 3.3Å; K496-I500 WeakPolarHBondContact O-CD1 3.37Å; K496-I500 VanDerWaalsContact O-CG1 3.24Å; K496-I500 WeakPolarHBondContact O-CG1 3.31Å; K496-I500 PolarHBondContact O-N 3.34Å; V497-I500 PolarHBondContact O-N 3.37Å; I500-L502 VanDerWaalsContact C-N 3.32Å; I500-L502 PolarHBondContact O-N 3.3Å; I500-M503 PolarHBondContact O-N 3.45Å; I500-T504 PolarHBondContact O-N 2.83Å; I500-T504 PolarHBondContact O-OG1 3.01Å; I500-T504 VanDerWaalsContact O-OG1 3.06Å
501R90.5Very high91Very high200 Ų200101.1 Ų101.176%0.75551%0.511SS*.Hα-helixtrans-58.2-41.6179-178.4178.2176.2175.5-0.5112.4V497 E498 F505V497-R501 WeakPolarHBondContact O-CB 3.46Å; V497-R501 PolarHBondContact O-N 3.46Å; E498-R501 PolarHBondContact O-N 2.87Å; R501-F505 WeakPolarHBondContact O-CB 3.41Å; R501-F505 PolarHBondContact O-N 3.38Å
502L92.8Very high90.7Very high105 Ų105100.2 Ų100.255%0.5552%0.515SS..Hα-helixtrans-67.6-43.4177-17862000111.5E498 G499 I500 F505 L506E498-L502 WeakPolarHBondContact O-CB 3.35Å; E498-L502 PolarHBondContact O-N 2.97Å; G499-L502 PolarHBondContact O-N 3.08Å; I500-L502 VanDerWaalsContact C-N 3.32Å; I500-L502 PolarHBondContact O-N 3.3Å; L502-F505 PolarHBondContact O-N 3.35Å; L502-L506 HydrophobicContact CD1-CD1 4.41Å; L502-L506 HydrophobicContact CD1-CG 4.43Å; L502-L506 HydrophobicContact CG-CD1 4.16Å; L502-L506 WeakPolarHBondContact O-CB 3.32Å; L502-L506 WeakPolarHBondContact O-CG 3.48Å; L502-L506 PolarHBondContact O-N 2.99Å
503M87.4Confident90.6Very high106 Ų106106.9 Ų106.952%0.52254%0.535SS..Hα-helixtrans-61.5-45.9174.1-78.5-60.8-59.900111.8G499 I500 F505 L506 L507G499-M503 WeakPolarHBondContact O-CB 3.48Å; G499-M503 WeakPolarHBondContact O-CG 3.38Å; G499-M503 PolarHBondContact O-N 2.96Å; I500-M503 PolarHBondContact O-N 3.45Å; M503-F505 VanDerWaalsContact C-N 3.33Å; M503-F505 PolarHBondContact O-N 3.39Å; M503-L506 PolarHBondContact O-N 2.86Å; M503-L507 HydrophobicContact CE-CD1 4.5Å; M503-L507 WeakPolarHBondContact O-CB 3.35Å; M503-L507 VanDerWaalsContact O-CG 3.23Å; M503-L507 WeakPolarHBondContact O-CG 3.48Å; M503-L507 PolarHBondContact O-N 3.12Å
504T86.6Confident90.3Very high84 Ų84109.6 Ų109.652%0.51554%0.539SS..Hα-helixtrans-60.5-41.1175.3-57.80000111.6I500 A508I500-T504 PolarHBondContact O-N 2.83Å; I500-T504 PolarHBondContact O-OG1 3.01Å; I500-T504 VanDerWaalsContact O-OG1 3.06Å; T504-A508 VanDerWaalsContact O-CB 3.25Å; T504-A508 WeakPolarHBondContact O-CB 3.38Å; T504-A508 PolarHBondContact O-N 3Å
505F91.2Very high90Very high128 Ų128109.7 Ų109.756%0.56154%0.54SS*.Hα-helixtrans-65.6-43175.6177.6-99.5000112.6R501 L502 M503 A508 K509R501-F505 WeakPolarHBondContact O-CB 3.41Å; R501-F505 PolarHBondContact O-N 3.38Å; L502-F505 PolarHBondContact O-N 3.35Å; M503-F505 VanDerWaalsContact C-N 3.33Å; M503-F505 PolarHBondContact O-N 3.39Å; F505-A508 PolarHBondContact O-N 3.16Å; F505-K509 HydrophobicContact CE1-CD 4.36Å; F505-K509 WeakPolarHBondContact O-CB 3.42Å; F505-K509 PolarHBondContact O-N 2.88Å
506L91.4Very high89.7Confident78 Ų78107.2 Ų107.241%0.40854%0.539SS..Hα-helixtrans-64.7-44.9176.3-72.9171.3000111.4L502 M503 K509 I510L502-L506 HydrophobicContact CD1-CD1 4.41Å; L502-L506 HydrophobicContact CD1-CG 4.43Å; L502-L506 HydrophobicContact CG-CD1 4.16Å; L502-L506 WeakPolarHBondContact O-CB 3.32Å; L502-L506 WeakPolarHBondContact O-CG 3.48Å; L502-L506 PolarHBondContact O-N 2.99Å; M503-L506 PolarHBondContact O-N 2.86Å; L506-K509 PolarHBondContact O-N 3.35Å; L506-I510 WeakPolarHBondContact O-CB 3.29Å; L506-I510 WeakPolarHBondContact O-CD1 3.45Å; L506-I510 VanDerWaalsContact O-CG1 3.24Å; L506-I510 WeakPolarHBondContact O-CG1 3.37Å; L506-I510 PolarHBondContact O-N 2.74Å
507L90.7Very high89.4Confident101 Ų101104.1 Ų104.153%0.52953%0.528SS..Hα-helixtrans-61.2-45.7175.2-72168.4000111.3M503 K509 I510 Q511M503-L507 HydrophobicContact CE-CD1 4.5Å; M503-L507 WeakPolarHBondContact O-CB 3.35Å; M503-L507 VanDerWaalsContact O-CG 3.23Å; M503-L507 WeakPolarHBondContact O-CG 3.48Å; M503-L507 PolarHBondContact O-N 3.12Å; L507-K509 VanDerWaalsContact C-N 3.33Å; L507-K509 PolarHBondContact O-N 3.03Å; L507-I510 PolarHBondContact O-N 2.75Å; L507-Q511 VanDerWaalsContact O-CB 3.3Å; L507-Q511 WeakPolarHBondContact O-CB 3.3Å; L507-Q511 PolarHBondContact O-N 3.46Å
508A89.2Confident89Confident57 Ų57102.8 Ų102.847%0.47152%0.52SS..Hα-helixtrans-62.4-37.7175.500000112.6T504 F505 Q511 A512T504-A508 VanDerWaalsContact O-CB 3.25Å; T504-A508 WeakPolarHBondContact O-CB 3.38Å; T504-A508 PolarHBondContact O-N 3Å; F505-A508 PolarHBondContact O-N 3.16Å; A508-Q511 PolarHBondContact O-N 3.17Å; A508-A512 WeakPolarHBondContact O-CB 3.45Å; A508-A512 PolarHBondContact O-N 3.34Å
509K91.6Very high88.5Confident138 Ų13899.4 Ų99.460%0.651%0.511SS*.Hα-helixtrans-72.1-34.5176.6-170.9172.1-177.61760112.7F505 L506 L507 R513F505-K509 HydrophobicContact CE1-CD 4.36Å; F505-K509 WeakPolarHBondContact O-CB 3.42Å; F505-K509 PolarHBondContact O-N 2.88Å; L506-K509 PolarHBondContact O-N 3.35Å; L507-K509 VanDerWaalsContact C-N 3.33Å; L507-K509 PolarHBondContact O-N 3.03Å; K509-R513 WeakPolarHBondContact O-CB 3.36Å; K509-R513 PolarHBondContact O-N 3.13Å
510I90.7Very high88.2Confident112 Ų112101.9 Ų101.957%0.57452%0.52SS*.Hα-helixtrans-67.6-45.6171.7-70.8163.7000109.8L506 L507 R513 H514L506-I510 WeakPolarHBondContact O-CB 3.29Å; L506-I510 WeakPolarHBondContact O-CD1 3.45Å; L506-I510 VanDerWaalsContact O-CG1 3.24Å; L506-I510 WeakPolarHBondContact O-CG1 3.37Å; L506-I510 PolarHBondContact O-N 2.74Å; L507-I510 PolarHBondContact O-N 2.75Å; I510-R513 PolarHBondContact O-N 2.99Å; I510-H514 WeakPolarHBondContact O-CB 3.5Å; I510-H514 PolarHBondContact O-N 3.37Å
511Q88.2Confident87.8Confident99 Ų99104.7 Ų104.746%0.46352%0.524SS..Hα-helixtrans-60.5-52.3177.4-170.96144.700111L507 A508 R513 H514 D515L507-Q511 VanDerWaalsContact O-CB 3.3Å; L507-Q511 WeakPolarHBondContact O-CB 3.3Å; L507-Q511 PolarHBondContact O-N 3.46Å; A508-Q511 PolarHBondContact O-N 3.17Å; Q511-R513 PolarHBondContact O-N 3.47Å; Q511-H514 CarbonylContact O-C 3.46Å; Q511-H514 WeakPolarHBondContact O-CA 3.41Å; Q511-H514 WeakPolarHBondContact O-CB 3.36Å; Q511-H514 PolarHBondContact O-N 3.19Å; Q511-D515 PolarHBondContact NE2-OD1 3.24Å; Q511-D515 PolarHBondContact O-N 3.42Å
512A87.5Confident87.3Confident59 Ų59103.6 Ų103.649%0.48852%0.52SS..Hα-helixtrans-58.4-33.4177.200000113.1A508 L516A508-A512 WeakPolarHBondContact O-CB 3.45Å; A508-A512 PolarHBondContact O-N 3.34Å; A512-L516 VanDerWaalsContact O-CB 3.3Å; A512-L516 WeakPolarHBondContact O-CB 3.34Å; A512-L516 PolarHBondContact O-N 3.49Å
513R89.2Confident86.7Confident186 Ų186104.1 Ų104.170%0.70252%0.522SS*.Hα-helixtrans-72.7-36.4173.1-168.7179.2-174.5-173.62.4112.2K509 I510 Q511 I517K509-R513 WeakPolarHBondContact O-CB 3.36Å; K509-R513 PolarHBondContact O-N 3.13Å; I510-R513 PolarHBondContact O-N 2.99Å; Q511-R513 PolarHBondContact O-N 3.47Å; R513-I517 HydrophobicContact CG-CD1 4.33Å; R513-I517 WeakPolarHBondContact O-CD1 3.19Å; R513-I517 VanDerWaalsContact O-CG1 3.26Å; R513-I517 WeakPolarHBondContact O-CG1 3.43Å; R513-I517 PolarHBondContact O-N 3.43Å; R513-I517 VanDerWaalsContact O-N 3.09Å
514H86.5Confident86.3Confident108 Ų108101.8 Ų101.850%0.552%0.52SS..Hα-helixtrans-65.3-48.7173.5-173.795.5000110.9I510 Q511 L516 I517 V518I510-H514 WeakPolarHBondContact O-CB 3.5Å; I510-H514 PolarHBondContact O-N 3.37Å; Q511-H514 CarbonylContact O-C 3.46Å; Q511-H514 WeakPolarHBondContact O-CA 3.41Å; Q511-H514 WeakPolarHBondContact O-CB 3.36Å; Q511-H514 PolarHBondContact O-N 3.19Å; H514-L516 VanDerWaalsContact C-N 3.31Å; H514-L516 PolarHBondContact O-N 2.89Å; H514-I517 WeakPolarHBondContact O-CB 3.42Å; H514-I517 PolarHBondContact O-N 2.99Å; H514-I517 VanDerWaalsContact O-N 3.08Å; H514-V518 WeakPolarHBondContact O-CG2 3.41Å; H514-V518 PolarHBondContact O-N 2.7Å
515D86Confident85.9Confident80 Ų80107.2 Ų107.243%0.42853%0.531SS..Hα-helixtrans-59.3-41.6177.1-61.4-25.8000111.2Q511 V518 A519Q511-D515 PolarHBondContact NE2-OD1 3.24Å; Q511-D515 PolarHBondContact O-N 3.42Å; D515-V518 PolarHBondContact O-N 3.23Å; D515-A519 VanDerWaalsContact O-CB 3.26Å; D515-A519 WeakPolarHBondContact O-CB 3.35Å; D515-A519 PolarHBondContact O-N 2.9Å
516L86.8Confident85.2Confident112 Ų112104.3 Ų104.359%0.58652%0.521SS*.Hα-helixtrans-60.7-45.9172.8-177.464.4000111.8A512 H514 V518 A519 T520A512-L516 VanDerWaalsContact O-CB 3.3Å; A512-L516 WeakPolarHBondContact O-CB 3.34Å; A512-L516 PolarHBondContact O-N 3.49Å; H514-L516 VanDerWaalsContact C-N 3.31Å; H514-L516 PolarHBondContact O-N 2.89Å; L516-V518 VanDerWaalsContact C-N 3.33Å; L516-V518 PolarHBondContact O-N 2.84Å; L516-A519 PolarHBondContact O-N 3.39Å; L516-T520 PolarHBondContact O-N 3.32Å; L516-T520 PolarHBondContact O-OG1 3.08Å
517I85.5Confident84.5Confident78 Ų78103.3 Ų103.340%0.452%0.52SS..Hα-helixtrans-63.3-39.5177.1-70.1163.4000111.2R513 H514 R521R513-I517 HydrophobicContact CG-CD1 4.33Å; R513-I517 WeakPolarHBondContact O-CD1 3.19Å; R513-I517 VanDerWaalsContact O-CG1 3.26Å; R513-I517 WeakPolarHBondContact O-CG1 3.43Å; R513-I517 PolarHBondContact O-N 3.43Å; R513-I517 VanDerWaalsContact O-N 3.09Å; H514-I517 WeakPolarHBondContact O-CB 3.42Å; H514-I517 PolarHBondContact O-N 2.99Å; H514-I517 VanDerWaalsContact O-N 3.08Å; I517-R521 WeakPolarHBondContact O-CB 3.35Å; I517-R521 VanDerWaalsContact O-CG 3.24Å; I517-R521 WeakPolarHBondContact O-CG 3.46Å; I517-R521 PolarHBondContact O-N 2.78Å
518V84.6Confident83.9Confident70 Ų70106.3 Ų106.342%0.42453%0.529SS..Hα-helixtrans-66.9-41.1175172.80000110.8H514 D515 L516 R521 R522H514-V518 WeakPolarHBondContact O-CG2 3.41Å; H514-V518 PolarHBondContact O-N 2.7Å; D515-V518 PolarHBondContact O-N 3.23Å; L516-V518 VanDerWaalsContact C-N 3.33Å; L516-V518 PolarHBondContact O-N 2.84Å; V518-R521 PolarHBondContact O-N 3.14Å; V518-R522 WeakPolarHBondContact O-CB 3.32Å; V518-R522 PolarHBondContact O-N 2.95Å
519A80.5Confident83.2Confident43 Ų43106.3 Ų106.336%0.35553%0.528SS..Hα-helixtrans-64.5-46.517600000111.9D515 L516 R521 R522 L523D515-A519 VanDerWaalsContact O-CB 3.26Å; D515-A519 WeakPolarHBondContact O-CB 3.35Å; D515-A519 PolarHBondContact O-N 2.9Å; L516-A519 PolarHBondContact O-N 3.39Å; A519-R521 VanDerWaalsContact C-N 3.32Å; A519-R521 PolarHBondContact O-N 3.18Å; A519-R522 CarbonylContact O-C 3.57Å; A519-R522 PolarHBondContact O-N 3.3Å; A519-R522 VanDerWaalsContact O-N 3.09Å; A519-L523 WeakPolarHBondContact O-CG 2.81Å; A519-L523 PolarHBondContact O-N 3.46Å
520T83.9Confident82.5Confident86 Ų86105.2 Ų105.253%0.52853%0.525SS..Hα-helixtrans-60-41.7174-52.40000111.3L516 R522 L523 A524L516-T520 PolarHBondContact O-N 3.32Å; L516-T520 PolarHBondContact O-OG1 3.08Å; T520-R522 VanDerWaalsContact C-N 3.34Å; T520-R522 PolarHBondContact O-N 2.89Å; T520-L523 PolarHBondContact O-N 3.49Å; T520-A524 VanDerWaalsContact O-CB 3.32Å; T520-A524 WeakPolarHBondContact O-CB 3.39Å; T520-A524 PolarHBondContact O-N 3.42Å
521R83.3Confident81.6Confident169 Ų169106.3 Ų106.364%0.63853%0.526SS*.Hα-helixtrans-65.8-33.6174.1-74.5171.3174-175.1-2.6112.8I517 V518 A519 R525I517-R521 WeakPolarHBondContact O-CB 3.35Å; I517-R521 VanDerWaalsContact O-CG 3.24Å; I517-R521 WeakPolarHBondContact O-CG 3.46Å; I517-R521 PolarHBondContact O-N 2.78Å; V518-R521 PolarHBondContact O-N 3.14Å; A519-R521 VanDerWaalsContact C-N 3.32Å; A519-R521 PolarHBondContact O-N 3.18Å; R521-R525 WeakPolarHBondContact O-CG 3.37Å; R521-R525 PolarHBondContact O-N 3.48Å; R521-R525 VanDerWaalsContact O-N 3.15Å
522R79.4Confident80.5Confident177 Ų177104.2 Ų104.267%0.66853%0.525SS*.Hα-helixtrans-71.4-44.7175.6-169.9176.6-178.2176.40.4111.1V518 A519 T520 R525 I526V518-R522 WeakPolarHBondContact O-CB 3.32Å; V518-R522 PolarHBondContact O-N 2.95Å; A519-R522 CarbonylContact O-C 3.57Å; A519-R522 PolarHBondContact O-N 3.3Å; A519-R522 VanDerWaalsContact O-N 3.09Å; T520-R522 VanDerWaalsContact C-N 3.34Å; T520-R522 PolarHBondContact O-N 2.89Å; R522-R525 WeakPolarHBondContact O-CB 3.34Å; R522-R525 PolarHBondContact O-N 3.04Å; R522-R525 VanDerWaalsContact O-N 3.13Å; R522-I526 HydrophobicContact CG-CD1 4Å; R522-I526 WeakPolarHBondContact O-CG1 3.4Å; R522-I526 PolarHBondContact O-N 2.85Å
523L79.5Confident79.3Confident116 Ų116106.1 Ų106.161%0.60753%0.527SS*.Hα-helixtrans-62.4-40.5173.8-70.2171.5000111.9A519 T520 R525 I526 S527A519-L523 WeakPolarHBondContact O-CG 2.81Å; A519-L523 PolarHBondContact O-N 3.46Å; T520-L523 PolarHBondContact O-N 3.49Å; L523-R525 VanDerWaalsContact C-N 3.27Å; L523-R525 PolarHBondContact O-N 3.15Å; L523-I526 PolarHBondContact O-N 3.42Å; L523-S527 WeakPolarHBondContact O-CB 3.49Å; L523-S527 PolarHBondContact O-N 3.35Å
524A79.1Confident77.9Confident57 Ų57100 Ų10047%0.47152%0.516SS..Hα-helixtrans-65.9-26.7174.100000113.5T520 K528T520-A524 VanDerWaalsContact O-CB 3.32Å; T520-A524 WeakPolarHBondContact O-CB 3.39Å; T520-A524 PolarHBondContact O-N 3.42Å; A524-K528 WeakPolarHBondContact O-CG 3.48Å; A524-K528 PolarHBondContact O-N 3.33Å
525R78.5Confident76.6Confident197 Ų197101.4 Ų101.474%0.74352%0.523SS*.Hα-helixtrans-77.5-42.7170.4-75.8171.9175170.7-3.1111.8R521 R522 L523 K528 A529R521-R525 WeakPolarHBondContact O-CG 3.37Å; R521-R525 PolarHBondContact O-N 3.48Å; R521-R525 VanDerWaalsContact O-N 3.15Å; R522-R525 WeakPolarHBondContact O-CB 3.34Å; R522-R525 PolarHBondContact O-N 3.04Å; R522-R525 VanDerWaalsContact O-N 3.13Å; L523-R525 VanDerWaalsContact C-N 3.27Å; L523-R525 PolarHBondContact O-N 3.15Å; R525-K528 PolarHBondContact O-N 2.85Å; R525-A529 PolarHBondContact O-N 3.48Å
526I77.2Confident75.2Confident68 Ų68100.1 Ų100.135%0.34952%0.524SS..Hα-helixtrans-61.2-50.9176.6-70.8166000109.9R522 L523 K528 A529 E530R522-I526 HydrophobicContact CG-CD1 4Å; R522-I526 WeakPolarHBondContact O-CG1 3.4Å; R522-I526 PolarHBondContact O-N 2.85Å; L523-I526 PolarHBondContact O-N 3.42Å; I526-K528 VanDerWaalsContact C-N 3.26Å; I526-K528 PolarHBondContact O-N 3.05Å; I526-A529 CarbonylContact O-C 3.58Å; I526-A529 WeakPolarHBondContact O-CA 3.5Å; I526-A529 WeakPolarHBondContact O-CB 3.43Å; I526-A529 PolarHBondContact O-N 3.34Å; I526-E530 HydrophobicContact CG2-CG 4.12Å; I526-E530 VanDerWaalsContact CG2-OE1 3.24Å; I526-E530 WeakPolarHBondContact CG2-OE1 3.46Å; I526-E530 WeakPolarHBondContact O-CG 3.33Å; I526-E530 PolarHBondContact O-N 3.48Å
527S77.3Confident73.6Confident56 Ų56101.2 Ų101.239%0.39253%0.525SS..Hα-helixtrans-63.4-27.9177.7-173.30000114L523 E530 K531L523-S527 WeakPolarHBondContact O-CB 3.49Å; L523-S527 PolarHBondContact O-N 3.35Å; S527-E530 VanDerWaalsContact CA-OE2 3.32Å; S527-E530 WeakPolarHBondContact CA-OE2 3.24Å; S527-K531 WeakPolarHBondContact O-CG 3.41Å; S527-K531 PolarHBondContact O-N 3.04Å
528K77.4Confident71.9Confident165 Ų165101.4 Ų101.472%0.71754%0.539SS*.Hα-helixtrans-71.3-39.9168.2-83.7-169.5172-161.90112.5A524 R525 I526 A532A524-K528 WeakPolarHBondContact O-CG 3.48Å; A524-K528 PolarHBondContact O-N 3.33Å; R525-K528 PolarHBondContact O-N 2.85Å; I526-K528 VanDerWaalsContact C-N 3.26Å; I526-K528 PolarHBondContact O-N 3.05Å; K528-A532 PolarHBondContact O-N 2.91Å; K528-A532 VanDerWaalsContact O-N 3.08Å
529A74.9Confident70.3Confident56 Ų56104.6 Ų104.646%0.46355%0.554SS.*Hα-helixtrans-66.7-44.8175.900000111.4R525 I526 K531 A532 L533R525-A529 PolarHBondContact O-N 3.48Å; I526-A529 CarbonylContact O-C 3.58Å; I526-A529 WeakPolarHBondContact O-CA 3.5Å; I526-A529 WeakPolarHBondContact O-CB 3.43Å; I526-A529 PolarHBondContact O-N 3.34Å; A529-K531 VanDerWaalsContact C-N 3.33Å; A529-K531 PolarHBondContact O-N 3.39Å; A529-A532 CarbonylContact O-C 3.5Å; A529-A532 PolarHBondContact O-N 3.08Å; A529-L533 WeakPolarHBondContact O-CB 3.5Å; A529-L533 PolarHBondContact O-N 2.94Å
530E76.3Confident68.5Low115 Ų115107.7 Ų107.754%0.53757%0.568SS.*Hα-helixtrans-58.1-41.7175.3-70.6166.3164.200111.9I526 S527 L533 A534I526-E530 HydrophobicContact CG2-CG 4.12Å; I526-E530 VanDerWaalsContact CG2-OE1 3.24Å; I526-E530 WeakPolarHBondContact CG2-OE1 3.46Å; I526-E530 WeakPolarHBondContact O-CG 3.33Å; I526-E530 PolarHBondContact O-N 3.48Å; S527-E530 VanDerWaalsContact CA-OE2 3.32Å; S527-E530 WeakPolarHBondContact CA-OE2 3.24Å; E530-L533 PolarHBondContact O-N 3.32Å; E530-A534 WeakPolarHBondContact O-CB 3.37Å; E530-A534 PolarHBondContact O-N 3.47Å
531K71.4Confident66.2Low136 Ų136110.6 Ų110.659%0.59158%0.58SS**Hα-helixtrans-65.5-44.6173.8-76.3-175.9176.1-163.60112.7S527 A529 L533 A534 E535S527-K531 WeakPolarHBondContact O-CG 3.41Å; S527-K531 PolarHBondContact O-N 3.04Å; A529-K531 VanDerWaalsContact C-N 3.33Å; A529-K531 PolarHBondContact O-N 3.39Å; K531-L533 VanDerWaalsContact C-N 3.26Å; K531-L533 PolarHBondContact O-N 3.18Å; K531-A534 PolarHBondContact O-N 2.9Å; K531-E535 WeakPolarHBondContact O-CB 3.39Å; K531-E535 WeakPolarHBondContact O-CG 3.33Å; K531-E535 PolarHBondContact O-N 2.94Å
532A66.6Low63.8Low54 Ų54108.8 Ų108.845%0.44659%0.588SS.*Hα-helixtrans-65.2-29.9175.200000112.6K528 A529 A536K528-A532 PolarHBondContact O-N 2.91Å; K528-A532 VanDerWaalsContact O-N 3.08Å; A529-A532 CarbonylContact O-C 3.5Å; A529-A532 PolarHBondContact O-N 3.08Å; A532-A536 WeakPolarHBondContact O-CB 3.39Å; A532-A536 PolarHBondContact O-N 2.93Å; A532-A536 VanDerWaalsContact O-N 3.11Å
533L61.4Low61.6Low99 Ų99104.1 Ų104.152%0.51859%0.586SS.*Hα-helixtrans-71.1-45173.8-123.8162.9000110.9A529 E530 K531 E535 A536 E537A529-L533 WeakPolarHBondContact O-CB 3.5Å; A529-L533 PolarHBondContact O-N 2.94Å; E530-L533 PolarHBondContact O-N 3.32Å; K531-L533 VanDerWaalsContact C-N 3.26Å; K531-L533 PolarHBondContact O-N 3.18Å; L533-E535 VanDerWaalsContact C-N 3.33Å; L533-E535 PolarHBondContact O-N 3.49Å; L533-A536 CarbonylContact O-C 3.51Å; L533-A536 WeakPolarHBondContact O-CB 3.4Å; L533-A536 PolarHBondContact O-N 3.01Å; L533-E537 HydrophobicContact CD2-CG 3.94Å; L533-E537 WeakPolarHBondContact O-CB 3.33Å; L533-E537 WeakPolarHBondContact O-CG 3.23Å; L533-E537 PolarHBondContact O-N 3.43Å
534A60.7Low59.4Low57 Ų57106.3 Ų106.347%0.47160%0.598SS.*Hα-helixtrans-62.9-37.1174.200000112.7E530 K531 A536 A538E530-A534 WeakPolarHBondContact O-CB 3.37Å; E530-A534 PolarHBondContact O-N 3.47Å; K531-A534 PolarHBondContact O-N 2.9Å; A534-A536 VanDerWaalsContact C-N 3.28Å; A534-A536 PolarHBondContact O-N 3.17Å; A534-A538 WeakPolarHBondContact O-CB 3.49Å; A534-A538 PolarHBondContact O-N 2.91Å; A534-A538 VanDerWaalsContact O-N 3.09Å
535E59.3Low57.2Low139 Ų139107.4 Ų107.465%0.6560%0.602SS**Hα-helixtrans-67.6-25.6172.9-73.6170178.900112.8K531 L533 N539K531-E535 WeakPolarHBondContact O-CB 3.39Å; K531-E535 WeakPolarHBondContact O-CG 3.33Å; K531-E535 PolarHBondContact O-N 2.94Å; L533-E535 VanDerWaalsContact C-N 3.33Å; L533-E535 PolarHBondContact O-N 3.49Å; E535-N539 PolarHBondContact O-ND2 3.45Å
536A55.6Low55Low53 Ų53104.9 Ų104.944%0.43860%0.604SS.*Hα-helixtrans-84.3-45174.100000112.8A532 L533 A534 A538 N539 V540A532-A536 WeakPolarHBondContact O-CB 3.39Å; A532-A536 PolarHBondContact O-N 2.93Å; A532-A536 VanDerWaalsContact O-N 3.11Å; L533-A536 CarbonylContact O-C 3.51Å; L533-A536 WeakPolarHBondContact O-CB 3.4Å; L533-A536 PolarHBondContact O-N 3.01Å; A534-A536 VanDerWaalsContact C-N 3.28Å; A534-A536 PolarHBondContact O-N 3.17Å; A536-A538 PolarHBondContact O-N 2.85Å; A536-N539 PolarHBondContact O-N 3.15Å; A536-V540 PolarHBondContact O-N 3.3Å
537E53.2Low53Low134 Ų134107.5 Ų107.563%0.62662%0.623SS**Hα-helixtrans-62.5-31.8177.4-73.7177.3159.700111.8L533 N539L533-E537 HydrophobicContact CD2-CG 3.94Å; L533-E537 WeakPolarHBondContact O-CB 3.33Å; L533-E537 WeakPolarHBondContact O-CG 3.23Å; L533-E537 PolarHBondContact O-N 3.43Å; E537-N539 PolarHBondContact O-N 3.42Å
538A50.8Low51Low82 Ų82109 Ų10968%0.67863%0.633SS**THydrogen-bonded Turntrans-62.7-17.6171.600000114.4A534 A536A534-A538 WeakPolarHBondContact O-CB 3.49Å; A534-A538 PolarHBondContact O-N 2.91Å; A534-A538 VanDerWaalsContact O-N 3.09Å; A536-A538 PolarHBondContact O-N 2.85Å
539N50.5Low49.4Very low138 Ų138108.2 Ų108.274%0.73863%0.632SS**THydrogen-bonded Turntrans-110.8-10.5-177.2-82.1-58.8000114.7E535 A536 E537E535-N539 PolarHBondContact O-ND2 3.45Å; A536-N539 PolarHBondContact O-N 3.15Å; E537-N539 PolarHBondContact O-N 3.42Å
540V41.3Very low47.9Very low107 Ų107111.9 Ų111.965%0.64864%0.644SS**  trans-130.284.4-179.5-170.70000111.6A536A536-V540 PolarHBondContact O-N 3.3Å
541N35.8Very low46.3Very low148 Ų148113 Ų11379%0.79165%0.653SS**  trans-66.5152.3143.7-80.3-73.8000109
542V34.4Very low44.9Very low131 Ų131112 Ų11279%0.79466%0.664SS**  trans94.2129.8178.9-1750000115.8
543A33.1Very low43.7Very low78 Ų78116 Ų11665%0.64568%0.678SS**  trans67.6100.9174.800000116.6
544L33.2Very low42.6Very low163 Ų163117.7 Ų117.785%0.85369%0.686SS**  70133.181.6-69.6161.4000114
545S32.2Very low41.5Very low80 Ų80122.7 Ų122.756%0.55970%0.699SS**  cis173.9154-24.145.20000109.1
546N32.2Very low40.2Very low144 Ų144121.7 Ų121.777%0.7770%0.703SS**  trans82.1122.6154.3-58.2-19.9000121.9
547T34.8Very low39.3Very low123 Ų123125.4 Ų125.476%0.75572%0.72SS**  trans70.2117.1139.1-490000118.6
548S36.8Very low39.1Very low87 Ų87124.2 Ų124.261%0.60872%0.724SS**  cis106.815324.4-172.60000113.5
549H43.8Very low38.3Very low149 Ų149127.5 Ų127.569%0.6973%0.73SS**  trans78.6147.4170.6-55.5-56.8000117.7
550N42.6Very low37.8Very low133 Ų133130.6 Ų130.671%0.71174%0.737SS**  cis-160.8179.1-9.3-113.9-4.6000114.1
551N43.3Very low37.8Very low137 Ų137129.2 Ų129.273%0.73374%0.737SS**  trans-47177.2165.3-49.7-42.1000114.8
552S42.3Very low38Very low117 Ų117129.2 Ų129.282%0.81874%0.737SS**  cis-168-159.131.6-30.70000109.9
553N39.7Very low38.4Very low137 Ų137129.4 Ų129.473%0.73373%0.734SS**  -173.5171.6-65.3-172.922.5000109.3
554I39.1Very low38.8Very low135 Ų135133.1 Ų133.169%0.69274%0.738SS**  trans74.8142.2168.6-50.8179.1000115.2
555Q38.1Very low39.2Very low161 Ų161131.8 Ų131.875%0.75273%0.731SS**  cis119.9152.5-5.7-166.5176.8-9.900115.7
556T32.3Very low39.5Very low118 Ų118135.2 Ų135.272%0.72474%0.738SS**  trans78153.6176.574.80000116.8
557T36.6Very low39.9Very low132 Ų132134.7 Ų134.781%0.8173%0.734SS**  cis-159.6168.5-11.211.30000111.4
558P47.9Very low40Very low109 Ų109133.2 Ų133.271%0.70873%0.727SS**  trans-115.8-162.3-174.144.3-34.7000116.5
559D35.5Very low40Very low151 Ų151138.5 Ų138.581%0.80773%0.734SS**  trans112.2154.8149.3-83.4-0.2000123.4
560K39.5Very low39.8Very low203 Ų203136.5 Ų136.588%0.88373%0.725SS**  trans87.2157.5166.1-61.5-171.3-178.7-177.90119.7
561A40.3Very low39.6Very low78 Ų78137.4 Ų137.465%0.64572%0.723SS**  cis179.5170.4-25.100000108.6
562D41.3Very low39.4Very low147 Ų147137.2 Ų137.279%0.78672%0.721SS**  cis-123.9-110.8-6.6-83-62000109.8
563N41.1Very low39.3Very low136 Ų136136 Ų13673%0.72771%0.713SS**  cis-168.7175.5-17.6-132.4-35.3000107.7
564Q42.5Very low39.1Very low155 Ų155137 Ų13772%0.72472%0.718SS**  cis-151.6156.13.6-102.3-170.6-6.600111.7
565L41.7Very low38.9Very low136 Ų136139.6 Ų139.671%0.71273%0.725SS**  trans21.7158.4137.6-57170.9000124.4
566E38.5Very low38.7Very low152 Ų152138.9 Ų138.971%0.7173%0.725SS**  cis-152.3148.912.8-149.4156.7-167.200117.6
567I41.1Very low38.5Very low133 Ų133138.9 Ų138.968%0.68273%0.728SS**  trans30.4127.7153.8-68170000122
568C36.3Very low38.3Very low92 Ų92137.1 Ų137.162%0.62272%0.721SS**  cis86.6154.742.4-68.80000114.4
569R36.4Very low37.7Very low197 Ų197139.5 Ų139.574%0.74372%0.723SS**  cis-175.8169.8-5.3-101.4171.4-163.1-99.66.5107.6
570E38.8Very low37.5Very low108 Ų108141.4 Ų141.451%0.50572%0.724SS.*  cis-172.8152.2-19.9-116.8179.6127.400111
571K40.1Very low37Very low152 Ų152135.6 Ų135.666%0.66172%0.722SS**  trans68.2166.5144.7-66.3177.9168.8141.70122.3
572D37.9Very low36.7Very low132 Ų132139.9 Ų139.971%0.70673%0.733SS**  cis-163.1156.4-27.6-103.1-20.5000114.2
573S40.5Very low36.9Very low93 Ų93138.2 Ų138.265%0.6573%0.73SS**  trans60.6115.4143.471.30000126
574N34.9Very low37.1Very low156 Ų156136.4 Ų136.483%0.83473%0.726SS**  56.5132.2119-61-36.4000125.5
575K35.1Very low36.8Very low190 Ų190136.7 Ų136.783%0.82673%0.732SS**  115.7139.1118.7-118.6-175.1-179.8-177.50120.7
576I34Very low36.7Very low147 Ų147135.5 Ų135.575%0.75473%0.73SS**  trans90.4105.4155.4-58.5163000120.1
577C28.8Very low36.6Very low118 Ų118135.5 Ų135.580%0.79774%0.735SS**  trans5.6162.5139.5-138.10000125.5
578S33Very low36.6Very low95 Ų95134 Ų13466%0.66474%0.736SS**  trans8195.1145.965.10000122.9
579Q34.2Very low36.9Very low158 Ų158135.3 Ų135.374%0.73875%0.747SS**  76.5136.5113.4-124175.83.800122.6
580F31.7Very low37.2Very low191 Ų191131.6 Ų131.684%0.83875%0.748SS**  trans66.1140.8164.9-61.4-70.2000119.8
581G28Very low36.9Very low81 Ų81135.2 Ų135.284%0.83577%0.765SS**  trans136.696.9161.700000117.5
582L35.7Very low36.9Very low168 Ų168132.9 Ų132.988%0.8877%0.767SS**  trans-82.1177.8158.7-82.1167.6000110.4
583P45.3Very low36.9Very low112 Ų112134.1 Ų134.173%0.72777%0.773SS**  cis-128.6-130.6-1935.8-12.6000109.2
584P45.6Very low37Very low99 Ų99138 Ų13864%0.64378%0.781SS**  cis-133.9163.1-31.736.5-18.9000117.3
585L34.4Very low37.6Very low160 Ų160136.5 Ų136.584%0.83877%0.772SS**  trans57.5168.2152.7-92.268.8000118.1
586V41Very low38.1Very low112 Ų112134.6 Ų134.668%0.67977%0.766SS**  cis-144.7131.720.6179.60000111.5
587N36.9Very low38.7Very low151 Ų151132.9 Ų132.981%0.80776%0.762SS**  trans55.2163.5154.9-56.6-5.7000120.2
588S40.7Very low39.6Very low102 Ų102129.2 Ų129.271%0.71375%0.745SS**  cis-148135.214.757.80000116.8
589S41.7Very low40.6Very low120 Ų120131 Ų13184%0.83974%0.743SS**  trans73.2154.3144.4-60.50000121.8
590P42.6Very low41.7Very low118 Ų118128.6 Ų128.677%0.76674%0.735SS**  trans-129.3173.7-156.343.3-27.6000115.8
591E34Very low43.5Very low184 Ų184122.4 Ų122.486%0.8672%0.715SS**  trans-172.3176137.6-112.1165.4-16500112.7
592S38.5Very low45.6Very low103 Ų103125.5 Ų125.572%0.7271%0.708SS**  trans65.3103179.7640000118.4
593I38.8Very low47.5Very low159 Ų159123.4 Ų123.482%0.81569%0.692SS**  trans-128.5-2.7168.1-77.7177.4000111.7D595I593-D595 PolarHBondContact O-N 3.48Å
594E43.2Very low48.9Very low175 Ų175122.8 Ų122.882%0.81868%0.679SS**THydrogen-bonded Turntrans-79.5-18.2-164.3-55.8-165.5141.600115.3
595D47Very low50.5Low124 Ų124123.9 Ų123.966%0.66368%0.676SS**Hα-helixtrans-71.3-35.4-171.9-76.8-56.2000115.1I593 V597 G598 Q599I593-D595 PolarHBondContact O-N 3.48Å; D595-V597 VanDerWaalsContact C-N 3.32Å; D595-V597 PolarHBondContact O-N 3.05Å; D595-G598 PolarHBondContact O-N 2.82Å; D595-Q599 PolarHBondContact O-N 2.97Å
596E45.8Very low52.7Low149 Ų149122.3 Ų122.370%0.69667%0.667SS**Hα-helixtrans-69.5-29.3-176.4-71.2-152.4145.800113N600E596-N600 PolarHBondContact O-N 3.44Å; E596-N600 PolarHBondContact O-ND2 2.96Å
597V46Very low54.7Low111 Ų111120 Ų12067%0.67365%0.651SS**Hα-helixtrans-69.8-37.7177.4-175.20000110.5D595 S601D595-V597 VanDerWaalsContact C-N 3.32Å; D595-V597 PolarHBondContact O-N 3.05Å; V597-S601 PolarHBondContact O-N 3.41Å; V597-S601 VanDerWaalsContact O-N 3.13Å
598G48.2Very low56.8Low41 Ų41116.6 Ų116.642%0.42363%0.633SS.*Hα-helixtrans-63.6-44.3175.500000113D595 S601 Q602D595-G598 PolarHBondContact O-N 2.82Å; G598-S601 PolarHBondContact O-N 3.5Å; G598-Q602 PolarHBondContact O-N 2.91Å; G598-Q602 VanDerWaalsContact O-N 3.08Å
599Q52.5Low58.9Low134 Ų134119 Ų11963%0.62663%0.631SS**Hα-helixtrans-66.7-42.8179.9-66-175.135.700112.3D595 S601 Q602 F603D595-Q599 PolarHBondContact O-N 2.97Å; Q599-S601 VanDerWaalsContact C-N 3.32Å; Q599-S601 PolarHBondContact O-N 2.99Å; Q599-Q602 PolarHBondContact O-N 3.26Å; Q599-F603 PolarHBondContact O-N 2.9Å
600N58.1Low61Low106 Ų106121.7 Ų121.757%0.56762%0.622SS**Hα-helixtrans-61.7-39174.8-80.2-71.2000112.2E596 F603 Q604E596-N600 PolarHBondContact O-N 3.44Å; E596-N600 PolarHBondContact O-ND2 2.96Å; N600-F603 PolarHBondContact O-N 3.44Å; N600-Q604 PolarHBondContact O-N 2.88Å
601S69.6Low63Low61 Ų61122.5 Ų122.543%0.42762%0.616SS.*Hα-helixtrans-62.7-45.3175-175.60000112.5V597 G598 Q599 Q604 Q605V597-S601 PolarHBondContact O-N 3.41Å; V597-S601 VanDerWaalsContact O-N 3.13Å; G598-S601 PolarHBondContact O-N 3.5Å; Q599-S601 VanDerWaalsContact C-N 3.32Å; Q599-S601 PolarHBondContact O-N 2.99Å; S601-Q604 PolarHBondContact O-N 3.41Å; S601-Q605 WeakPolarHBondContact O-CG 3.3Å; S601-Q605 PolarHBondContact O-N 2.85Å; S601-Q605 VanDerWaalsContact O-N 3.09Å; S601-Q605 PolarHBondContact OG-NE2 3.25Å
602Q72.6Confident65.3Low146 Ų146119.8 Ų119.868%0.68260%0.603SS**Hα-helixtrans-63.5-41.3175.4-73.7-1670.300112.4G598 Q599 Q605 L606G598-Q602 PolarHBondContact O-N 2.91Å; G598-Q602 VanDerWaalsContact O-N 3.08Å; Q599-Q602 PolarHBondContact O-N 3.26Å; Q602-Q605 PolarHBondContact O-N 3.02Å; Q602-L606 PolarHBondContact O-N 3.06Å
603F76Confident67.7Low124 Ų124121.5 Ų121.554%0.54460%0.598SS.*Hα-helixtrans-61.9-45.6178.1-175.9-110.1000111.9Q599 N600 Q605 L606 L607Q599-F603 PolarHBondContact O-N 2.9Å; N600-F603 PolarHBondContact O-N 3.44Å; F603-Q605 PolarHBondContact O-N 2.93Å; F603-L606 WeakPolarHBondContact O-CB 3.24Å; F603-L606 PolarHBondContact O-N 3.04Å; F603-L606 VanDerWaalsContact O-N 3.12Å; F603-L607 HydrophobicContact CD1-CD1 4.03Å; F603-L607 HydrophobicContact CD1-CG 4.45Å; F603-L607 HydrophobicContact CE1-CD1 3.62Å; F603-L607 HydrophobicContact CE1-CG 4.16Å; F603-L607 HydrophobicContact CZ-CD1 4.14Å; F603-L607 HydrophobicContact CZ-CD2 4.25Å; F603-L607 HydrophobicContact CZ-CG 4.29Å; F603-L607 PolarHBondContact O-N 3.23Å
604Q73.4Confident69.9Low100 Ų100118.3 Ų118.347%0.46758%0.582SS.*Hα-helixtrans-64.1-38.7177.6-168.261.851.200112.4N600 S601 L606 L607 N608N600-Q604 PolarHBondContact O-N 2.88Å; S601-Q604 PolarHBondContact O-N 3.41Å; Q604-L606 VanDerWaalsContact C-N 3.3Å; Q604-L606 PolarHBondContact O-N 2.91Å; Q604-L607 PolarHBondContact O-N 2.88Å; Q604-N608 PolarHBondContact NE2-OD1 3.27Å; Q604-N608 VanDerWaalsContact O-CG 3.25Å; Q604-N608 PolarHBondContact O-N 3.46Å; Q604-N608 PolarHBondContact O-OD1 2.84Å; Q604-N608 VanDerWaalsContact O-OD1 3.12Å
605Q79.1Confident71.8Confident122 Ų122118.8 Ų118.857%0.5758%0.576SS**Hα-helixtrans-62.2-38.1172.8-70.6174.440.400112S601 Q602 F603 K609S601-Q605 WeakPolarHBondContact O-CG 3.3Å; S601-Q605 PolarHBondContact O-N 2.85Å; S601-Q605 VanDerWaalsContact O-N 3.09Å; S601-Q605 PolarHBondContact OG-NE2 3.25Å; Q602-Q605 PolarHBondContact O-N 3.02Å; F603-Q605 PolarHBondContact O-N 2.93Å; Q605-K609 WeakPolarHBondContact O-CB 3.44Å; Q605-K609 PolarHBondContact O-N 2.83Å; Q605-K609 VanDerWaalsContact O-N 3.09Å
606L81.9Confident73.4Confident126 Ų126117.4 Ų117.466%0.6657%0.569SS**Hα-helixtrans-66.8-39.1176.9-147.982.1000112.1Q602 F603 Q604 R610Q602-L606 PolarHBondContact O-N 3.06Å; F603-L606 WeakPolarHBondContact O-CB 3.24Å; F603-L606 PolarHBondContact O-N 3.04Å; F603-L606 VanDerWaalsContact O-N 3.12Å; Q604-L606 VanDerWaalsContact C-N 3.3Å; Q604-L606 PolarHBondContact O-N 2.91Å; L606-R610 WeakPolarHBondContact O-CB 3.26Å; L606-R610 PolarHBondContact O-N 3.29Å; L606-R610 VanDerWaalsContact O-N 3.12Å
607L82.2Confident75.3Confident64 Ų64113.6 Ų113.634%0.33555%0.553SS.*Hα-helixtrans-63.7-52.9174-70.3179.6000111.5F603 Q604 K609 R610 E611F603-L607 HydrophobicContact CD1-CD1 4.03Å; F603-L607 HydrophobicContact CD1-CG 4.45Å; F603-L607 HydrophobicContact CE1-CD1 3.62Å; F603-L607 HydrophobicContact CE1-CG 4.16Å; F603-L607 HydrophobicContact CZ-CD1 4.14Å; F603-L607 HydrophobicContact CZ-CD2 4.25Å; F603-L607 HydrophobicContact CZ-CG 4.29Å; F603-L607 PolarHBondContact O-N 3.23Å; Q604-L607 PolarHBondContact O-N 2.88Å; L607-K609 VanDerWaalsContact C-N 3.27Å; L607-K609 PolarHBondContact O-N 3.31Å; L607-R610 WeakPolarHBondContact O-CA 3.41Å; L607-R610 WeakPolarHBondContact O-CB 3.49Å; L607-R610 PolarHBondContact O-N 3.34Å; L607-E611 PolarHBondContact O-N 3.19Å
608N80.5Confident77Confident79 Ų79114.1 Ų114.142%0.42255%0.552SS.*Hα-helixtrans-55.8-44.1179.8-667.9000111.1Q604 R610 E611 E612Q604-N608 PolarHBondContact NE2-OD1 3.27Å; Q604-N608 VanDerWaalsContact O-CG 3.25Å; Q604-N608 PolarHBondContact O-N 3.46Å; Q604-N608 PolarHBondContact O-OD1 2.84Å; Q604-N608 VanDerWaalsContact O-OD1 3.12Å; N608-R610 VanDerWaalsContact C-N 3.3Å; N608-R610 PolarHBondContact O-N 3.43Å; N608-E611 PolarHBondContact O-N 2.92Å; N608-E612 PolarHBondContact O-N 3.06Å
609K85.9Confident78.6Confident154 Ų154116.8 Ų116.867%0.6756%0.556SS**Hα-helixtrans-64.9-30.3177.4-167170.2-173.6171.80113.2Q605 L607 F613Q605-K609 WeakPolarHBondContact O-CB 3.44Å; Q605-K609 PolarHBondContact O-N 2.83Å; Q605-K609 VanDerWaalsContact O-N 3.09Å; L607-K609 VanDerWaalsContact C-N 3.27Å; L607-K609 PolarHBondContact O-N 3.31Å; K609-F613 WeakPolarHBondContact O-CB 3.25Å; K609-F613 PolarHBondContact O-N 3.42Å
610R85.3Confident79.9Confident175 Ų175119.2 Ų119.266%0.6656%0.559SS**Hα-helixtrans-73.3-40172.8-177.9-180174.9114.9-3111.6L606 L607 N608 F613 L614L606-R610 WeakPolarHBondContact O-CB 3.26Å; L606-R610 PolarHBondContact O-N 3.29Å; L606-R610 VanDerWaalsContact O-N 3.12Å; L607-R610 WeakPolarHBondContact O-CA 3.41Å; L607-R610 WeakPolarHBondContact O-CB 3.49Å; L607-R610 PolarHBondContact O-N 3.34Å; N608-R610 VanDerWaalsContact C-N 3.3Å; N608-R610 PolarHBondContact O-N 3.43Å; R610-F613 PolarHBondContact O-N 2.81Å; R610-L614 HydrophobicContact CG-CD1 4.27Å; R610-L614 WeakPolarHBondContact O-CG 3.39Å; R610-L614 PolarHBondContact O-N 3.46Å
611E84.2Confident81Confident135 Ų135120 Ų12063%0.63156%0.558SS**Hα-helixtrans-64.7-44.5175.1-67.8-165.6152.900112L607 N608 F613 L614 R615L607-E611 PolarHBondContact O-N 3.19Å; N608-E611 PolarHBondContact O-N 2.92Å; E611-F613 VanDerWaalsContact C-N 3.31Å; E611-F613 PolarHBondContact O-N 2.92Å; E611-L614 PolarHBondContact O-N 2.95Å; E611-R615 WeakPolarHBondContact O-CB 3.45Å; E611-R615 PolarHBondContact O-N 3.42Å
612E82.7Confident81.5Confident128 Ų128125.4 Ų125.460%0.59857%0.569SS**Hα-helixtrans-59.3-41.5173.9-73.1-16914300112.1N608 R615 N616N608-E612 PolarHBondContact O-N 3.06Å; E612-R615 PolarHBondContact O-N 3.26Å; E612-N616 WeakPolarHBondContact O-CB 3.33Å; E612-N616 PolarHBondContact O-N 2.87Å; E612-N616 PolarHBondContact O-ND2 2.88Å
613F88.6Confident81.8Confident138 Ų138120.3 Ų120.361%0.60555%0.551SS**Hα-helixtrans-62.2-45.5175.7-178.9-94.3000111.9K609 R610 E611 N616 N617K609-F613 WeakPolarHBondContact O-CB 3.25Å; K609-F613 PolarHBondContact O-N 3.42Å; R610-F613 PolarHBondContact O-N 2.81Å; E611-F613 VanDerWaalsContact C-N 3.31Å; E611-F613 PolarHBondContact O-N 2.92Å; F613-N616 PolarHBondContact O-N 2.8Å; F613-N617 WeakPolarHBondContact O-CB 3.48Å; F613-N617 PolarHBondContact O-N 2.93Å
614L84.4Confident81.9Confident92 Ų92120 Ų12048%0.48255%0.552SS.*Hα-helixtrans-64.6-42.2177.2-70.8169.6000112R610 E611 N617 L618R610-L614 HydrophobicContact CG-CD1 4.27Å; R610-L614 WeakPolarHBondContact O-CG 3.39Å; R610-L614 PolarHBondContact O-N 3.46Å; E611-L614 PolarHBondContact O-N 2.95Å; L614-N617 WeakPolarHBondContact O-CB 3.3Å; L614-N617 PolarHBondContact O-N 3.29Å; L614-L618 PolarHBondContact O-N 2.85Å
615R82.9Confident82.1Confident185 Ų185119.6 Ų119.670%0.69855%0.551SS**Hα-helixtrans-61.3-44.2175.9-173.9176.1-179.2175.9-0.3111.6E611 E612 L618 L619E611-R615 WeakPolarHBondContact O-CB 3.45Å; E611-R615 PolarHBondContact O-N 3.42Å; E612-R615 PolarHBondContact O-N 3.26Å; R615-L618 PolarHBondContact O-N 2.87Å; R615-L619 HydrophobicContact CG-CD1 4.43Å; R615-L619 WeakPolarHBondContact O-CG 3.26Å; R615-L619 PolarHBondContact O-N 3.26Å
616N81.6Confident82Confident95 Ų95117.7 Ų117.751%0.50855%0.545SS..Hα-helixtrans-66.3-36.1175-81.7-70.3000112.7E612 F613 L619 R620E612-N616 WeakPolarHBondContact O-CB 3.33Å; E612-N616 PolarHBondContact O-N 2.87Å; E612-N616 PolarHBondContact O-ND2 2.88Å; F613-N616 PolarHBondContact O-N 2.8Å; N616-L619 PolarHBondContact O-N 3.2Å; N616-R620 WeakPolarHBondContact O-CG 3.33Å; N616-R620 PolarHBondContact O-N 2.77Å
617N85.2Confident81.6Confident69 Ų69120.6 Ų120.637%0.36955%0.547SS..Hα-helixtrans-65-45.4175.1-159.7-68.6000111.5F613 L614 L619 R620 K621F613-N617 WeakPolarHBondContact O-CB 3.48Å; F613-N617 PolarHBondContact O-N 2.93Å; L614-N617 WeakPolarHBondContact O-CB 3.3Å; L614-N617 PolarHBondContact O-N 3.29Å; N617-L619 PolarHBondContact O-N 2.86Å; N617-R620 PolarHBondContact O-N 3.48Å; N617-K621 PolarHBondContact O-N 2.78Å
618L81.3Confident81.2Confident123 Ų123121.2 Ų121.264%0.64455%0.554SS**Hα-helixtrans-59.3-42.4173.2-95.3162.3000112.7L614 R615 K621 R622L614-L618 PolarHBondContact O-N 2.85Å; R615-L618 PolarHBondContact O-N 2.87Å; L618-K621 PolarHBondContact O-N 3.09Å; L618-R622 WeakPolarHBondContact O-CB 3.38Å; L618-R622 PolarHBondContact O-N 3.17Å
619L82.9Confident80.8Confident97 Ų97121.8 Ų121.851%0.50855%0.554SS.*Hα-helixtrans-64.9-40.2176-73.3169.6000112.2R615 N616 N617 R622 A623R615-L619 HydrophobicContact CG-CD1 4.43Å; R615-L619 WeakPolarHBondContact O-CG 3.26Å; R615-L619 PolarHBondContact O-N 3.26Å; N616-L619 PolarHBondContact O-N 3.2Å; N617-L619 PolarHBondContact O-N 2.86Å; L619-R622 PolarHBondContact O-N 3.02Å; L619-A623 WeakPolarHBondContact O-CB 3.32Å; L619-A623 PolarHBondContact O-N 3.45Å
620R80.4Confident80.3Confident185 Ų185119.4 Ų119.470%0.69855%0.547SS*.Hα-helixtrans-61.3-50.9172.9-75.3-175.6-179.7-169.11111.8N616 N617 R622 A623 E624N616-R620 WeakPolarHBondContact O-CG 3.33Å; N616-R620 PolarHBondContact O-N 2.77Å; N617-R620 PolarHBondContact O-N 3.48Å; R620-R622 VanDerWaalsContact C-N 3.31Å; R620-R622 PolarHBondContact O-N 3.08Å; R620-A623 WeakPolarHBondContact O-CB 3.24Å; R620-A623 PolarHBondContact O-N 2.84Å; R620-E624 WeakPolarHBondContact O-CG 3.38Å; R620-E624 PolarHBondContact O-N 3Å
621K81Confident79.5Confident122 Ų122118.7 Ų118.753%0.5355%0.546SS..Hα-helixtrans-56.9-43.1176.2-73-169.2174.8-164.50112.2N617 L618 A623 E624 I625N617-K621 PolarHBondContact O-N 2.78Å; L618-K621 PolarHBondContact O-N 3.09Å; K621-A623 VanDerWaalsContact C-N 3.34Å; K621-A623 PolarHBondContact O-N 3.4Å; K621-E624 PolarHBondContact O-N 2.77Å; K621-I625 VanDerWaalsContact O-CG1 3.29Å; K621-I625 WeakPolarHBondContact O-CG1 3.42Å; K621-I625 PolarHBondContact O-N 3.01Å
622R80.1Confident78.6Confident175 Ų175115.6 Ų115.666%0.6653%0.531SS*.Hα-helixtrans-63.8-38.1176.3-172.2174.7179.3175.9-1112L618 L619 R620 I625 L626L618-R622 WeakPolarHBondContact O-CB 3.38Å; L618-R622 PolarHBondContact O-N 3.17Å; L619-R622 PolarHBondContact O-N 3.02Å; R620-R622 VanDerWaalsContact C-N 3.31Å; R620-R622 PolarHBondContact O-N 3.08Å; R622-I625 PolarHBondContact O-N 3.25Å; R622-L626 HydrophobicContact CG-CD1 4.4Å; R622-L626 WeakPolarHBondContact O-CG 3.36Å; R622-L626 PolarHBondContact O-N 3.48Å
623A79.4Confident77.9Confident38 Ų38118.5 Ų118.531%0.31454%0.537SS..Hα-helixtrans-68.2-35.2174.900000112.6L619 R620 K621 L626 R627L619-A623 WeakPolarHBondContact O-CB 3.32Å; L619-A623 PolarHBondContact O-N 3.45Å; R620-A623 WeakPolarHBondContact O-CB 3.24Å; R620-A623 PolarHBondContact O-N 2.84Å; K621-A623 VanDerWaalsContact C-N 3.34Å; K621-A623 PolarHBondContact O-N 3.4Å; A623-L626 PolarHBondContact O-N 3.49Å; A623-R627 VanDerWaalsContact O-CG 3.27Å; A623-R627 WeakPolarHBondContact O-CG 3.37Å; A623-R627 PolarHBondContact O-N 3.09Å
624E76.7Confident76.9Confident118 Ų118115.4 Ų115.455%0.55153%0.532SS*.Hα-helixtrans-67.5-42.6173.4-70.8167.1163.100111.9R620 K621 L626 R627 T628R620-E624 WeakPolarHBondContact O-CG 3.38Å; R620-E624 PolarHBondContact O-N 3Å; K621-E624 PolarHBondContact O-N 2.77Å; E624-L626 VanDerWaalsContact C-N 3.33Å; E624-L626 PolarHBondContact O-N 2.81Å; E624-R627 PolarHBondContact O-N 3.32Å; E624-T628 PolarHBondContact O-N 3.4Å; E624-T628 PolarHBondContact O-OG1 3.15Å
625I77.1Confident75.8Confident91 Ų91114 Ų11447%0.46752%0.524SS..Hα-helixtrans-61.7-39.6173.3-68.1164000111.2K621 R622 T628 Q629K621-I625 VanDerWaalsContact O-CG1 3.29Å; K621-I625 WeakPolarHBondContact O-CG1 3.42Å; K621-I625 PolarHBondContact O-N 3.01Å; R622-I625 PolarHBondContact O-N 3.25Å; I625-T628 WeakPolarHBondContact CA-OG1 3.41Å; I625-T628 PolarHBondContact O-OG1 2.85Å; I625-Q629 WeakPolarHBondContact O-CB 3.32Å; I625-Q629 VanDerWaalsContact O-CG 3.28Å; I625-Q629 WeakPolarHBondContact O-CG 3.41Å; I625-Q629 PolarHBondContact O-N 2.9Å
626L77.5Confident74.5Confident83 Ų83111.5 Ų111.544%0.43552%0.522SS..Hα-helixtrans-69.7-39.2175.4-72.4170.2000112.3R622 A623 E624 Q629 I630R622-L626 HydrophobicContact CG-CD1 4.4Å; R622-L626 WeakPolarHBondContact O-CG 3.36Å; R622-L626 PolarHBondContact O-N 3.48Å; A623-L626 PolarHBondContact O-N 3.49Å; E624-L626 VanDerWaalsContact C-N 3.33Å; E624-L626 PolarHBondContact O-N 2.81Å; L626-Q629 PolarHBondContact O-N 3.34Å; L626-I630 WeakPolarHBondContact O-CB 3.45Å; L626-I630 WeakPolarHBondContact O-CD1 3.34Å; L626-I630 WeakPolarHBondContact O-CG1 3.34Å; L626-I630 PolarHBondContact O-N 3.25Å
627R73.9Confident73.2Confident187 Ų187112.3 Ų112.371%0.70653%0.534SS*.Hα-helixtrans-60.8-44.9173.7-73.4171.5-158-128.13.5111.8A623 E624 I630 Y631A623-R627 VanDerWaalsContact O-CG 3.27Å; A623-R627 WeakPolarHBondContact O-CG 3.37Å; A623-R627 PolarHBondContact O-N 3.09Å; E624-R627 PolarHBondContact O-N 3.32Å; R627-I630 PolarHBondContact O-N 2.81Å; R627-Y631 VanDerWaalsContact O-CB 3.31Å; R627-Y631 WeakPolarHBondContact O-CB 3.24Å; R627-Y631 PolarHBondContact O-N 3.31Å
628T73.1Confident71.5Confident77 Ų77112.9 Ų112.947%0.47254%0.537SS..Hα-helixtrans-65.7-43.7177.146.20000111.6E624 I625 I630 Y631 E632E624-T628 PolarHBondContact O-N 3.4Å; E624-T628 PolarHBondContact O-OG1 3.15Å; I625-T628 WeakPolarHBondContact CA-OG1 3.41Å; I625-T628 PolarHBondContact O-OG1 2.85Å; T628-I630 PolarHBondContact O-N 3.36Å; T628-Y631 PolarHBondContact O-N 2.81Å; T628-E632 WeakPolarHBondContact O-CB 3.4Å; T628-E632 WeakPolarHBondContact O-CG 3.39Å; T628-E632 PolarHBondContact O-N 2.91Å
629Q73.2Confident70.2Confident91 Ų91113 Ų11343%0.42555%0.546SS..Hα-helixtrans-62.6-36.4174.5-73.4177.71500113.7I625 L626 R633I625-Q629 WeakPolarHBondContact O-CB 3.32Å; I625-Q629 VanDerWaalsContact O-CG 3.28Å; I625-Q629 WeakPolarHBondContact O-CG 3.41Å; I625-Q629 PolarHBondContact O-N 2.9Å; L626-Q629 PolarHBondContact O-N 3.34Å; Q629-R633 WeakPolarHBondContact O-CB 3.39Å; Q629-R633 WeakPolarHBondContact O-CG 3.36Å; Q629-R633 PolarHBondContact O-N 3.19Å
630I74.9Confident69.1Low103 Ų103112.8 Ų112.853%0.52855%0.548SS..Hα-helixtrans-68.7-41.4174.5-70.4164.7000110.5L626 R627 T628 R633 S634L626-I630 WeakPolarHBondContact O-CB 3.45Å; L626-I630 WeakPolarHBondContact O-CD1 3.34Å; L626-I630 WeakPolarHBondContact O-CG1 3.34Å; L626-I630 PolarHBondContact O-N 3.25Å; R627-I630 PolarHBondContact O-N 2.81Å; T628-I630 PolarHBondContact O-N 3.36Å; I630-R633 PolarHBondContact O-N 3.42Å; I630-S634 WeakPolarHBondContact O-CB 3.48Å; I630-S634 PolarHBondContact O-N 2.77Å
631Y68.8Low67.7Low160 Ų160111.4 Ų111.463%0.62755%0.548SS*.Hα-helixtrans-65.7-43.9176.3-173.4-110.6000112.2R627 T628 S634 I635R627-Y631 VanDerWaalsContact O-CB 3.31Å; R627-Y631 WeakPolarHBondContact O-CB 3.24Å; R627-Y631 PolarHBondContact O-N 3.31Å; T628-Y631 PolarHBondContact O-N 2.81Å; Y631-S634 WeakPolarHBondContact O-CB 3.36Å; Y631-S634 PolarHBondContact O-N 3.39Å; Y631-I635 HydrophobicContact CD1-CD1 3.83Å; Y631-I635 HydrophobicContact CE1-CD1 3.43Å; Y631-I635 VanDerWaalsContact CE1-CD1 3.43Å; Y631-I635 HydrophobicContact CE2-CD1 4.33Å; Y631-I635 HydrophobicContact CG-CD1 4.43Å; Y631-I635 WeakPolarHBondContact O-CG1 3.48Å; Y631-I635 PolarHBondContact O-N 3.23Å
632E65.8Low66.3Low71 Ų71111.3 Ų111.333%0.33256%0.559SS.*Hα-helixtrans-58.5-46.8171.8-76.6-178.916800111.7T628 S634 I635 M636 I648T628-E632 WeakPolarHBondContact O-CB 3.4Å; T628-E632 WeakPolarHBondContact O-CG 3.39Å; T628-E632 PolarHBondContact O-N 2.91Å; E632-S634 VanDerWaalsContact C-N 3.35Å; E632-S634 PolarHBondContact O-N 3.13Å; E632-I635 PolarHBondContact O-N 2.84Å; E632-M636 VanDerWaalsContact O-CB 3.27Å; E632-M636 WeakPolarHBondContact O-CB 3.47Å; E632-M636 WeakPolarHBondContact O-CG 3.47Å; E632-M636 PolarHBondContact O-N 3.08Å; E632-I648 WeakPolarHBondContact OE1-CG2 3.33Å
633R68.2Low65.1Low189 Ų189106.4 Ų106.471%0.71356%0.564SS**Hα-helixtrans-62.4-41175.2-79.2-179.5174.4-166.2-0.4112Q629 I630 M636 C637Q629-R633 WeakPolarHBondContact O-CB 3.39Å; Q629-R633 WeakPolarHBondContact O-CG 3.36Å; Q629-R633 PolarHBondContact O-N 3.19Å; I630-R633 PolarHBondContact O-N 3.42Å; R633-M636 PolarHBondContact O-N 3.18Å; R633-C637 WeakPolarHBondContact O-CB 3.42Å; R633-C637 PolarHBondContact O-N 2.92Å; R633-C637 PolarHBondContact O-SG 3.31Å; R633-C637 VanDerWaalsContact O-SG 3.38Å
634S66.4Low63.9Low72 Ų72111.8 Ų111.850%0.50358%0.577SS.*Hα-helixtrans-61.1-47.2176.7-172.60000111.4I630 Y631 E632 C637 N638I630-S634 WeakPolarHBondContact O-CB 3.48Å; I630-S634 PolarHBondContact O-N 2.77Å; Y631-S634 WeakPolarHBondContact O-CB 3.36Å; Y631-S634 PolarHBondContact O-N 3.39Å; E632-S634 VanDerWaalsContact C-N 3.35Å; E632-S634 PolarHBondContact O-N 3.13Å; S634-C637 PolarHBondContact O-N 3.43Å; S634-N638 VanDerWaalsContact O-CB 3.28Å; S634-N638 WeakPolarHBondContact O-CB 3.42Å; S634-N638 PolarHBondContact O-N 2.9Å
635I61.1Low62.9Low63 Ų63115.4 Ų115.432%0.32359%0.585SS.*Hα-helixtrans-62.9-43.9174.5-70.2171.1000111.4Y631 E632 C637 N638Y631-I635 HydrophobicContact CD1-CD1 3.83Å; Y631-I635 HydrophobicContact CE1-CD1 3.43Å; Y631-I635 VanDerWaalsContact CE1-CD1 3.43Å; Y631-I635 HydrophobicContact CE2-CD1 4.33Å; Y631-I635 HydrophobicContact CG-CD1 4.43Å; Y631-I635 WeakPolarHBondContact O-CG1 3.48Å; Y631-I635 PolarHBondContact O-N 3.23Å; E632-I635 PolarHBondContact O-N 2.84Å; I635-C637 VanDerWaalsContact C-N 3.27Å; I635-C637 PolarHBondContact O-N 2.92Å; I635-N638 PolarHBondContact O-N 2.79Å
636M57.3Low61.6Low133 Ų133114.3 Ų114.366%0.65560%0.596SS**Hα-helixtrans-67.1-25.6-178.8-75.8-79.2-78.900113.7E632 R633E632-M636 VanDerWaalsContact O-CB 3.27Å; E632-M636 WeakPolarHBondContact O-CB 3.47Å; E632-M636 WeakPolarHBondContact O-CG 3.47Å; E632-M636 PolarHBondContact O-N 3.08Å; R633-M636 PolarHBondContact O-N 3.18Å
637C54Low60.3Low111 Ų111118.8 Ų118.875%0.7561%0.608SS**Hα-helixtrans-93-7.2175.9-69.10000113.9R633 S634 I635R633-C637 WeakPolarHBondContact O-CB 3.42Å; R633-C637 PolarHBondContact O-N 2.92Å; R633-C637 PolarHBondContact O-SG 3.31Å; R633-C637 VanDerWaalsContact O-SG 3.38Å; S634-C637 PolarHBondContact O-N 3.43Å; I635-C637 VanDerWaalsContact C-N 3.27Å; I635-C637 PolarHBondContact O-N 2.92Å
638N48.1Very low59.3Low81 Ų81113.6 Ų113.643%0.43359%0.593SS.*  trans-103.3111.1-176.9-165.7-31000110.3S634 I635 T640S634-N638 VanDerWaalsContact O-CB 3.28Å; S634-N638 WeakPolarHBondContact O-CB 3.42Å; S634-N638 PolarHBondContact O-N 2.9Å; I635-N638 PolarHBondContact O-N 2.79Å; N638-T640 PolarHBondContact O-N 3.06Å; N638-T640 PolarHBondContact OD1-OG1 2.79Å
639P55.6Low57.9Low127 Ų127116.6 Ų116.683%0.82560%0.602SS**THydrogen-bonded Turntrans-71.12.6-168.129.6-36.8000115.1
640T58.7Low56.7Low92 Ų92118.2 Ų118.256%0.56461%0.613SS**THydrogen-bonded Turntrans-93-10.8-160.8-37.70000114.7N638N638-T640 PolarHBondContact O-N 3.06Å; N638-T640 PolarHBondContact OD1-OG1 2.79Å
641F51.7Low55.6Low156 Ų156117.8 Ų117.868%0.68461%0.611SS**  trans-131.189.4-173.2-75.1-82.2000114.7G643F641-G643 VanDerWaalsContact C-N 3.35Å; F641-G643 PolarHBondContact O-N 3.4Å
642P51.6Low54.6Low119 Ų119119.1 Ų119.177%0.77362%0.615SS**G310 helixtrans-69.7-22.9179.2-21.834.3000115.6Y644P642-Y644 PolarHBondContact O-N 3.35Å
643G54.6Low53.8Low73 Ų73124.3 Ų124.375%0.75364%0.639SS**G310 helixtrans-78.6-12.6-158.400000118.4F641F641-G643 VanDerWaalsContact C-N 3.35Å; F641-G643 PolarHBondContact O-N 3.4Å
644Y54.1Low53Low150 Ų150123.5 Ų123.559%0.58864%0.641SS**G310 helixtrans-100.7-6.5-165.3-93.5-94.9000116.7P642 G646 R647P642-Y644 PolarHBondContact O-N 3.35Å; Y644-G646 PolarHBondContact O-N 3.23Å; Y644-R647 PolarHBondContact O-N 3.11Å
645R54.4Low51.8Low194 Ų194132.7 Ų132.773%0.73267%0.667SS**THydrogen-bonded Turntrans-59.4-22.6-174-76.5-169.3173-162.3-1.1115.4
646G50.9Low51.3Low68 Ų68136.2 Ų136.270%0.70168%0.684SS**THydrogen-bonded Turntrans-80.9-16.7-177.700000116.1Y644Y644-G646 PolarHBondContact O-N 3.23Å
647R49.9Very low51Low178 Ų178136.3 Ų136.367%0.67269%0.685SS**THydrogen-bonded Turntrans-97.7-27.7-169.6-159.5173.3-70.6-165.3-0.3114.4Y644 Q649 L650Y644-R647 PolarHBondContact O-N 3.11Å; R647-Q649 PolarHBondContact O-N 3.09Å; R647-L650 PolarHBondContact O-N 3.35Å
648I52.3Low50.8Low78 Ų78137.7 Ų137.740%0.468%0.682SS.*THydrogen-bonded Turntrans-68.9-20.1-175.6-57.9172.5000112.4E632 L650E632-I648 WeakPolarHBondContact OE1-CG2 3.33Å; I648-L650 VanDerWaalsContact C-N 3.29Å; I648-L650 PolarHBondContact O-N 3.19Å
649Q45.4Very low51Low140 Ų140141.1 Ų141.165%0.65470%0.696SS**THydrogen-bonded Turntrans-66.5-27.5-179.3-153.38113.400113.5R647R647-Q649 PolarHBondContact O-N 3.09Å
650L47Very low50.7Low125 Ų125141.9 Ų141.965%0.65469%0.688SS**SBendtrans-89.3-26.1-167.7-80.6162.9000115R647 I648 R652R647-L650 PolarHBondContact O-N 3.35Å; I648-L650 VanDerWaalsContact C-N 3.29Å; I648-L650 PolarHBondContact O-N 3.19Å; L650-R652 PolarHBondContact O-N 3.46Å
651D51.9Low50.2Low94 Ų94145.3 Ų145.350%0.50370%0.696SS.*G310 helixtrans-78.6-12.4176-65.7-48.4000112E653 K654D651-E653 VanDerWaalsContact C-N 3.32Å; D651-E653 PolarHBondContact O-N 2.97Å; D651-K654 PolarHBondContact O-N 3.31Å
652R47.1Very low50.1Low188 Ų188144.5 Ų144.571%0.70970%0.697SS**G310 helixtrans-77.8-10.4-174.1-143.5-178-158.4-179.29.7115.3L650L650-R652 PolarHBondContact O-N 3.46Å
653E48.6Very low50Low179 Ų179146.5 Ų146.584%0.83669%0.692SS**G310 helixtrans-106.17.3174.5-62-176.3149.800111.9D651D651-E653 VanDerWaalsContact C-N 3.32Å; D651-E653 PolarHBondContact O-N 2.97Å
654K52.3Low49.6Very low173 Ų173152.6 Ų152.675%0.75269%0.686SS**  trans-125.72.6-166.2-140.7-179.5-169.5-177.90114.7D651D651-K654 PolarHBondContact O-N 3.31Å
655Y41Very low49.2Very low264 Ų264152.8 Ų152.8100%1.03570%0.695SS**  trans-136.70-175.7-87-81.4000111.3

Retrieved 655 of 655 residues in 1061.5 ms (Link to these results)

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