A0A061HZ21_CRIGR Loading...

tRNA-dihydrouridine synthase

Catalyzes the synthesis of dihydrouridine, a modified base found in the D-loop of most tRNAs.

AlphaFold DB , UniProt , Accession A0A061HZ21, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Dus4l, Length 317 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
1M39.2Very low41.2Very low245 Ų245115.2 Ų115.2100%1.20762%0.619SS**  099.50-82.2177.3174.400109.1
2R28.6Very low41.3Very low226 Ų226118.8 Ų118.885%0.85363%0.629SS**  trans-175.182.9145.8-96.7-177.2-151.6-162.45.6103.8D4R2-D4 VanDerWaalsContact C-N 3.25Å; R2-D4 PolarHBondContact O-N 3.3Å
3S37.4Very low41.5Very low108 Ų108124.3 Ų124.376%0.75565%0.649SS**  trans-73.990.6165.152.30000105.5S5S3-S5 PolarHBondContact O-N 2.92Å
4D38.2Very low42Very low142 Ų142131.7 Ų131.776%0.75966%0.664SS**  trans-7573.6168.4-67.1-26.1000106.9R2 I6R2-D4 VanDerWaalsContact C-N 3.25Å; R2-D4 PolarHBondContact O-N 3.3Å; D4-I6 PolarHBondContact O-N 3.25Å
5S44.8Very low43Very low88 Ų88125.6 Ų125.662%0.61563%0.632SS**PPolyproline II helixtrans-54.1125.9164.6480000107.8S3 P7S3-S5 PolarHBondContact O-N 2.92Å; S5-P7 WeakPolarHBondContact O-CD 3.4Å; S5-P7 VanDerWaalsContact O-N 3.11Å
6I47.3Very low45Very low65 Ų65126.8 Ų126.833%0.33363%0.632SS.*PPolyproline II helixtrans-46.5120.1172.3-56.6171.9000107.4D4 I8 I10 Y106D4-I6 PolarHBondContact O-N 3.25Å; I6-I8 PolarHBondContact O-N 3.44Å; I6-I8 VanDerWaalsContact O-N 3.1Å; I6-I10 HydrophobicContact CG2-CD1 4.34Å; I6-Y106 HydrophobicContact CB-CE1 3.81Å; I6-Y106 HydrophobicContact CG2-CD1 3.87Å; I6-Y106 HydrophobicContact CG2-CE1 3.41Å; I6-Y106 VanDerWaalsContact CG2-CE1 3.41Å
7P42.4Very low47.6Very low82 Ų82120.6 Ų120.653%0.53260%0.601SS.*PPolyproline II helixtrans-54.1122.2-176.2-24.930.8000110.8S5 T9 I10S5-P7 WeakPolarHBondContact O-CD 3.4Å; S5-P7 VanDerWaalsContact O-N 3.11Å; P7-T9 PolarHBondContact O-N 3.31Å; P7-I10 HydrophobicContact CB-CD1 3.85Å; P7-I10 HydrophobicContact CB-CG1 4.25Å; P7-I10 HydrophobicContact CG-CD1 3.97Å; P7-I10 WeakPolarHBondContact O-CD1 3.24Å; P7-I10 WeakPolarHBondContact O-CG1 3.38Å; P7-I10 PolarHBondContact O-N 2.84Å
8I44.8Very low50.2Low134 Ų134113.9 Ų113.969%0.68757%0.568SS**THydrogen-bonded Turntrans-63.3-9.5-172.7-65.2167.7000112.5I6I6-I8 PolarHBondContact O-N 3.44Å; I6-I8 VanDerWaalsContact O-N 3.1Å
9T41.9Very low52.6Low116 Ų116110.3 Ų110.371%0.71255%0.55SS*.THydrogen-bonded Turntrans-904.4-178.1-22.10000114.3P7 C11P7-T9 PolarHBondContact O-N 3.31Å; T9-C11 PolarHBondContact O-N 3.15Å
10I45.5Very low54.7Low35 Ų35110.5 Ų110.518%0.17955%0.549CS..THydrogen-bonded Turntrans-88119.3-171.9-65.7167.8000109.7I6 P7 Q79I6-I10 HydrophobicContact CG2-CD1 4.34Å; P7-I10 HydrophobicContact CB-CD1 3.85Å; P7-I10 HydrophobicContact CB-CG1 4.25Å; P7-I10 HydrophobicContact CG-CD1 3.97Å; P7-I10 WeakPolarHBondContact O-CD1 3.24Å; P7-I10 WeakPolarHBondContact O-CG1 3.38Å; P7-I10 PolarHBondContact O-N 2.84Å; I10-Q79 HydrophobicContact CG1-CG 4.41Å; I10-Q79 HydrophobicContact CG2-CG 3.73Å
11C43.4Very low56.5Low26 Ų26106.6 Ų106.618%0.17653%0.529CS..THydrogen-bonded Turntrans96.927171.7-144.20000116.7T9 K15T9-C11 PolarHBondContact O-N 3.15Å; C11-K15 VanDerWaalsContact CB-CE 3.48Å; C11-K15 HydrophobicContact CB-CG 4.43Å; C11-K15 VanDerWaalsContact O-CD 3.28Å; C11-K15 WeakPolarHBondContact O-CD 3.45Å; C11-K15 WeakPolarHBondContact O-CE 3.48Å; C11-K15 WeakPolarHBondContact O-CG 3.37Å; C11-K15 WeakPolarHBondContact SG-CE 3.38Å; C11-K15 WeakPolarHBondContact SG-CG 3.19Å
12Q41.4Very low59.2Low158 Ų15895.4 Ų95.474%0.73847%0.474SS*.SBendtrans-91-31.1172-74.1-172-10.800114.3R14Q12-R14 PolarHBondContact O-N 3.44Å
13E43.9Very low62.3Low191 Ų19191.8 Ų91.889%0.89347%0.467SS*.THydrogen-bonded Turntrans-82.2-18.1-165.3-71.3-172.4158.200115.8
14R49Very low64.8Low228 Ų22889.9 Ų89.986%0.8645%0.454SS*.THydrogen-bonded Turntrans-154.856.4174.3-65.3-170.6-173178.62.1113.7Q12 K16Q12-R14 PolarHBondContact O-N 3.44Å; R14-K16 PolarHBondContact O-N 3.4Å
15K57.3Low67.2Low40 Ų4086.1 Ų86.117%0.17445%0.448CS..  trans-69.998.3165.1-85.8178.9-177.4-174.90108.3C11 D17 C104 P105 A107 N108C11-K15 VanDerWaalsContact CB-CE 3.48Å; C11-K15 HydrophobicContact CB-CG 4.43Å; C11-K15 VanDerWaalsContact O-CD 3.28Å; C11-K15 WeakPolarHBondContact O-CD 3.45Å; C11-K15 WeakPolarHBondContact O-CE 3.48Å; C11-K15 WeakPolarHBondContact O-CG 3.37Å; C11-K15 WeakPolarHBondContact SG-CE 3.38Å; C11-K15 WeakPolarHBondContact SG-CG 3.19Å; K15-D17 PolarHBondContact O-N 2.92Å; K15-D17 VanDerWaalsContact O-N 3.15Å; K15-C104 PolarHBondContact NZ-O 2.98Å; K15-P105 PolarHBondContact NZ-O 3.12Å; K15-A107 PolarHBondContact NZ-O 3.22Å; K15-N108 WeakPolarHBondContact CG-ND2 3.31Å
16K75.1Confident69.5Low145 Ų14588.8 Ų88.863%0.6345%0.451SS*.  trans-55.8117.6162.3-75.7-174.2177.7-177.30106.8R14 P18 N108R14-K16 PolarHBondContact O-N 3.4Å; K16-P18 WeakPolarHBondContact O-CD 3.3Å; K16-N108 PolarHBondContact O-ND2 3.25Å
17D89.6Confident71.9Confident21 Ų2186.7 Ų86.711%0.11244%0.44CS..  trans-70.2123.5178.4-171.5-30.3000108.3K15 M19 E20 M21K15-D17 PolarHBondContact O-N 2.92Å; K15-D17 VanDerWaalsContact O-N 3.15Å; D17-M19 PolarHBondContact O-N 3.38Å; D17-M19 VanDerWaalsContact O-N 3.12Å; D17-M19 WeakPolarHBondContact OD1-CB 3.48Å; D17-M19 PolarHBondContact OD1-N 3.12Å; D17-E20 HydrophobicContact CB-CB 4.3Å; D17-E20 HydrophobicContact CB-CG 3.89Å; D17-E20 PolarHBondContact O-N 3.29Å; D17-E20 VanDerWaalsContact O-N 3.11Å; D17-M21 PolarHBondContact O-N 3.34Å
18P94.3Very high74.6Confident1 Ų183 Ų831%0.00642%0.415CS..Hα-helixtrans-51.7-33.3176-26.834.9000113.3K16 M21 F22 L53 P83 I85 N108 W182K16-P18 WeakPolarHBondContact O-CD 3.3Å; P18-M21 WeakPolarHBondContact O-CB 3.45Å; P18-M21 PolarHBondContact O-N 3.04Å; P18-F22 WeakPolarHBondContact O-CD2 3.36Å; P18-F22 PolarHBondContact O-N 3.35Å; P18-L53 HydrophobicContact CB-CD1 4.46Å; P18-L53 HydrophobicContact CG-CD1 4.28Å; P18-P83 HydrophobicContact CG-CB 4.13Å; P18-I85 HydrophobicContact CG-CD1 4.24Å; P18-N108 HydrophobicContact CG-CB 3.86Å; P18-W182 HydrophobicContact CB-CH2 4.02Å; P18-W182 HydrophobicContact CB-CZ3 3.93Å; P18-W182 HydrophobicContact CG-CH2 4.44Å
19M95.7Very high77.2Confident44 Ų4478.4 Ų78.422%0.21739%0.391CS..Hα-helixtrans-69.6-36-179.4-64.8-55.1-59.500112.9D17 M21 F22 Q23 S181 W182 P212D17-M19 PolarHBondContact O-N 3.38Å; D17-M19 VanDerWaalsContact O-N 3.12Å; D17-M19 WeakPolarHBondContact OD1-CB 3.48Å; D17-M19 PolarHBondContact OD1-N 3.12Å; M19-M21 PolarHBondContact O-N 3.46Å; M19-F22 PolarHBondContact O-N 2.92Å; M19-F22 HydrophobicContact SD-CD2 4.28Å; M19-Q23 VanDerWaalsContact O-CG 3.31Å; M19-Q23 WeakPolarHBondContact O-CG 3.37Å; M19-Q23 PolarHBondContact O-N 3Å; M19-Q23 VanDerWaalsContact O-N 3.13Å; M19-S181 WeakPolarHBondContact CE-O 3.32Å; M19-W182 HydrophobicContact SD-CE3 3.82Å; M19-W182 HydrophobicContact SD-CZ3 4.17Å; M19-P212 HydrophobicContact CE-CG 3.81Å
20E93.6Very high79.9Confident114 Ų11472.9 Ų72.953%0.53336%0.357SS..Hα-helixtrans-62.6-33.3173.8-70.5172.6-179.500111.2D17 Q23 S24D17-E20 HydrophobicContact CB-CB 4.3Å; D17-E20 HydrophobicContact CB-CG 3.89Å; D17-E20 PolarHBondContact O-N 3.29Å; D17-E20 VanDerWaalsContact O-N 3.11Å; E20-Q23 PolarHBondContact O-N 3.47Å; E20-S24 PolarHBondContact O-N 3.35Å
21M93.6Very high82.4Confident29 Ų2971.2 Ų71.214%0.14335%0.348CS..Hα-helixtrans-66.9-44.7178.1-57.6170.258.900111.4D17 P18 M19 Q23 S24 V28 D52 L53 P83D17-M21 PolarHBondContact O-N 3.34Å; P18-M21 WeakPolarHBondContact O-CB 3.45Å; P18-M21 PolarHBondContact O-N 3.04Å; M19-M21 PolarHBondContact O-N 3.46Å; M21-Q23 VanDerWaalsContact C-N 3.25Å; M21-Q23 PolarHBondContact O-N 3.48Å; M21-S24 VanDerWaalsContact O-CB 3.31Å; M21-S24 WeakPolarHBondContact O-CB 3.13Å; M21-S24 PolarHBondContact O-N 2.92Å; M21-S24 PolarHBondContact O-OG 3.22Å; M21-V28 HydrophobicContact CB-CG2 3.99Å; M21-V28 HydrophobicContact CE-CG1 3.87Å; M21-D52 HydrophobicContact CE-CB 3.31Å; M21-L53 HydrophobicContact CE-CB 4.46Å; M21-P83 HydrophobicContact CE-CG 4.35Å; M21-P83 HydrophobicContact SD-CG 3.63Å
22F96.1Very high85.1Confident10 Ų1070.1 Ų70.14%0.04434%0.341CS..Hα-helixtrans-65.2-30176.3-66.9-58.6000112.5P18 M19 S24 V28 I30 L53 W182 P212 V214 D235P18-F22 WeakPolarHBondContact O-CD2 3.36Å; P18-F22 PolarHBondContact O-N 3.35Å; M19-F22 PolarHBondContact O-N 2.92Å; M19-F22 HydrophobicContact SD-CD2 4.28Å; F22-S24 VanDerWaalsContact C-N 3.27Å; F22-S24 PolarHBondContact O-N 2.84Å; F22-V28 HydrophobicContact CD1-CB 4.08Å; F22-V28 HydrophobicContact CD1-CG2 3.56Å; F22-V28 HydrophobicContact CE1-CB 3.82Å; F22-V28 HydrophobicContact CE1-CG1 4.13Å; F22-V28 HydrophobicContact CE1-CG2 3.82Å; F22-V28 HydrophobicContact CG-CG2 4.32Å; F22-I30 HydrophobicContact CE1-CD1 4.2Å; F22-I30 HydrophobicContact CZ-CD1 4.11Å; F22-L53 HydrophobicContact CZ-CD2 4.49Å; F22-W182 HydrophobicContact CD2-CE3 4.44Å; F22-W182 HydrophobicContact CE2-CB 4.39Å; F22-W182 AromaticContact CE2-CD2 3.75Å; F22-W182 HydrophobicContact CE2-CD2 3.75Å; F22-W182 AromaticContact CE2-CE3 3.76Å; F22-W182 HydrophobicContact CE2-CE3 3.76Å; F22-W182 HydrophobicContact CE2-CG 4.02Å; F22-W182 HydrophobicContact CE2-CZ3 4.32Å; F22-W182 HydrophobicContact CZ-CD2 4.26Å; F22-W182 HydrophobicContact CZ-CG 4.24Å; F22-P212 HydrophobicContact CB-CB 3.97Å; F22-P212 HydrophobicContact CB-CG 3.7Å; F22-P212 HydrophobicContact CD1-CB 4.06Å; F22-P212 HydrophobicContact CD2-CB 4.01Å; F22-P212 HydrophobicContact CD2-CG 4.03Å; F22-P212 HydrophobicContact CG-CB 3.76Å; F22-P212 HydrophobicContact CG-CG 3.91Å; F22-V214 HydrophobicContact CE1-CG2 3.75Å; F22-V214 HydrophobicContact CZ-CG2 3.87Å; F22-D235 HydrophobicContact CB-CB 4.36Å; F22-D235 HydrophobicContact CD1-CB 3.65Å; F22-D235 HydrophobicContact CE1-CB 4.38Å; F22-D235 HydrophobicContact CG-CB 4.36Å
23Q92.6Very high87.8Confident151 Ų15163.5 Ų63.571%0.70631%0.312SS*.Hα-helixtrans-76.3-11.2176.9-70169.7-600114M19 E20 M21 G25M19-Q23 VanDerWaalsContact O-CG 3.31Å; M19-Q23 WeakPolarHBondContact O-CG 3.37Å; M19-Q23 PolarHBondContact O-N 3Å; M19-Q23 VanDerWaalsContact O-N 3.13Å; E20-Q23 PolarHBondContact O-N 3.47Å; M21-Q23 VanDerWaalsContact C-N 3.25Å; M21-Q23 PolarHBondContact O-N 3.48Å; Q23-G25 PolarHBondContact O-N 3Å
24S90Very high90.3Very high68 Ų6855.2 Ų55.248%0.47627%0.273SS..THydrogen-bonded Turntrans-68.7-15.9-17871.70000114.4E20 M21 F22 Q26E20-S24 PolarHBondContact O-N 3.35Å; M21-S24 VanDerWaalsContact O-CB 3.31Å; M21-S24 WeakPolarHBondContact O-CB 3.13Å; M21-S24 PolarHBondContact O-N 2.92Å; M21-S24 PolarHBondContact O-OG 3.22Å; F22-S24 VanDerWaalsContact C-N 3.27Å; F22-S24 PolarHBondContact O-N 2.84Å; S24-Q26 PolarHBondContact O-N 3.32Å; S24-Q26 PolarHBondContact OG-N 3.17Å
25G88.4Confident92.4Very high62 Ų6247.3 Ų47.364%0.63925%0.25SS*.SBendtrans73.83.4-172.500000114.2Q23Q23-G25 PolarHBondContact O-N 3Å
26Q94.4Very high93.9Very high144 Ų14453.5 Ų53.567%0.67327%0.272SS*.SBendtrans-95151.5173.5-60.8-171.7-20.100111S24 V28S24-Q26 PolarHBondContact O-N 3.32Å; S24-Q26 PolarHBondContact OG-N 3.17Å; Q26-V28 PolarHBondContact O-N 3.16Å; Q26-V28 VanDerWaalsContact O-N 3.1Å
27M97.8Very high94.9Very high21 Ų2148.7 Ų48.710%0.10325%0.251CS..  trans-62.1111.5172.7-175178.665.400110.7K29 L222 A225 E226 W229 V237M27-K29 HydrophobicContact CE-CD 4.36Å; M27-K29 HydrophobicContact CE-CG 3.93Å; M27-K29 PolarHBondContact O-N 3.36Å; M27-L222 HydrophobicContact CE-CD1 4.08Å; M27-A225 HydrophobicContact CE-CB 4.27Å; M27-A225 HydrophobicContact SD-CB 4.37Å; M27-E226 HydrophobicContact CE-CG 4.07Å; M27-W229 HydrophobicContact CB-CD2 3.55Å; M27-W229 HydrophobicContact CB-CE3 4Å; M27-W229 HydrophobicContact CB-CG 3.78Å; M27-W229 HydrophobicContact CB-CZ2 4.16Å; M27-W229 HydrophobicContact CB-CZ3 4.47Å; M27-W229 HydrophobicContact CG-CB 3.93Å; M27-W229 HydrophobicContact CG-CD2 3.93Å; M27-W229 HydrophobicContact CG-CG 3.57Å; M27-W229 HydrophobicContact SD-CB 3.42Å; M27-W229 WeakPolarHBondContact SD-CB 3.41Å; M27-W229 HydrophobicContact SD-CD2 4.16Å; M27-W229 HydrophobicContact SD-CE3 4.46Å; M27-W229 HydrophobicContact SD-CG 3.71Å; M27-V237 HydrophobicContact CE-CG2 4.14Å; M27-V237 HydrophobicContact CG-CG1 4.22Å; M27-V237 HydrophobicContact CG-CG2 3.84Å; M27-V237 HydrophobicContact SD-CB 4.32Å; M27-V237 HydrophobicContact SD-CG1 3.83Å; M27-V237 HydrophobicContact SD-CG2 3.5Å; M27-V237 WeakPolarHBondContact SD-CG2 3.38Å
28V98.5Very high95.3Very high4 Ų447.7 Ų47.72%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-73.1123172.2-176.70000109.8M21 F22 Q26 I30 D52 L53 D235 G236 V237M21-V28 HydrophobicContact CB-CG2 3.99Å; M21-V28 HydrophobicContact CE-CG1 3.87Å; F22-V28 HydrophobicContact CD1-CB 4.08Å; F22-V28 HydrophobicContact CD1-CG2 3.56Å; F22-V28 HydrophobicContact CE1-CB 3.82Å; F22-V28 HydrophobicContact CE1-CG1 4.13Å; F22-V28 HydrophobicContact CE1-CG2 3.82Å; F22-V28 HydrophobicContact CG-CG2 4.32Å; Q26-V28 PolarHBondContact O-N 3.16Å; Q26-V28 VanDerWaalsContact O-N 3.1Å; V28-I30 HydrophobicContact CB-CD1 4.5Å; V28-I30 HydrophobicContact CB-CG1 4.46Å; V28-I30 HydrophobicContact CG1-CD1 4.03Å; V28-I30 HydrophobicContact CG1-CG1 3.74Å; V28-D52 HydrophobicContact CG1-CB 4.37Å; V28-L53 HydrophobicContact CG1-CB 4.42Å; V28-D235 PolarHBondContact N-O 2.97Å; V28-G236 CarbonylContact O-C 3.11Å; V28-G236 WeakPolarHBondContact O-CA 3.44Å; V28-V237 PolarHBondContact O-N 2.96Å
29K98.7Very high95.4Very high39 Ų3950.8 Ų50.817%0.1726%0.259CS..EExtended strand (participates in β ladder)trans-97.1111.5-177.5-65.7164.4-72.61650111.1M27 S50 C51 D52 L53 F250M27-K29 HydrophobicContact CE-CD 4.36Å; M27-K29 HydrophobicContact CE-CG 3.93Å; M27-K29 PolarHBondContact O-N 3.36Å; K29-S50 VanDerWaalsContact CE-O 3.24Å; K29-S50 WeakPolarHBondContact CE-O 3.21Å; K29-S50 PolarHBondContact NZ-O 3.01Å; K29-C51 PolarHBondContact O-SG 2.84Å; K29-C51 VanDerWaalsContact O-SG 3.39Å; K29-D52 VanDerWaalsContact CB-OD2 3.31Å; K29-D52 WeakPolarHBondContact CB-OD2 3.43Å; K29-D52 WeakPolarHBondContact CE-OD2 2.98Å; K29-D52 PolarHBondContact N-OD2 3.19Å; K29-D52 IonicContact NZ-OD1 3.69Å; K29-D52 PolarHBondContact O-N 3.38Å; K29-L53 PolarHBondContact O-N 3.02Å; K29-F250 HydrophobicContact CB-CD1 3.84Å; K29-F250 HydrophobicContact CB-CD2 3.83Å; K29-F250 HydrophobicContact CB-CE1 3.78Å; K29-F250 HydrophobicContact CB-CE2 3.75Å; K29-F250 HydrophobicContact CB-CG 3.87Å; K29-F250 HydrophobicContact CB-CZ 3.73Å; K29-F250 HydrophobicContact CD-CB 4.06Å; K29-F250 HydrophobicContact CD-CD1 3.82Å; K29-F250 HydrophobicContact CD-CE1 4.44Å; K29-F250 HydrophobicContact CD-CG 3.99Å; K29-F250 HydrophobicContact CG-CD1 3.73Å; K29-F250 HydrophobicContact CG-CE1 3.84Å; K29-F250 HydrophobicContact CG-CG 4.13Å; K29-F250 HydrophobicContact CG-CZ 4.31Å
30I98.9Very high95.5Very high0 Ų049.4 Ų49.40%025%0.252CS..EExtended strand (participates in β ladder)trans-115.9129.8-164.5-52174.1000111.6F22 V28 L53 Y55 V214 V237 M238 V239F22-I30 HydrophobicContact CE1-CD1 4.2Å; F22-I30 HydrophobicContact CZ-CD1 4.11Å; V28-I30 HydrophobicContact CB-CD1 4.5Å; V28-I30 HydrophobicContact CB-CG1 4.46Å; V28-I30 HydrophobicContact CG1-CD1 4.03Å; V28-I30 HydrophobicContact CG1-CG1 3.74Å; I30-L53 CarbonylContact C-O 3.51Å; I30-L53 VanDerWaalsContact CA-O 3.3Å; I30-L53 WeakPolarHBondContact CA-O 3.44Å; I30-L53 HydrophobicContact CD1-CD2 4.03Å; I30-L53 HydrophobicContact CG1-CB 4.15Å; I30-L53 HydrophobicContact CG1-CD2 4.16Å; I30-L53 HydrophobicContact CG2-CB 4.38Å; I30-L53 HydrophobicContact CG2-CD2 4.24Å; I30-L53 HydrophobicContact CG2-CG 4.34Å; I30-Y55 HydrophobicContact CG2-CD2 3.8Å; I30-Y55 HydrophobicContact CG2-CE2 3.65Å; I30-V214 HydrophobicContact CD1-CB 4.31Å; I30-V214 HydrophobicContact CD1-CG1 3.7Å; I30-V214 HydrophobicContact CD1-CG2 3.6Å; I30-V237 WeakPolarHBondContact CB-O 3.47Å; I30-V237 PolarHBondContact N-O 2.87Å; I30-M238 HydrophobicContact CB-CB 4.08Å; I30-M238 HydrophobicContact CB-CG 4.4Å; I30-M238 HydrophobicContact CG2-CB 4.28Å; I30-M238 HydrophobicContact CG2-CE 3.72Å; I30-M238 HydrophobicContact CG2-CG 4.17Å; I30-M238 WeakPolarHBondContact O-CA 3.36Å; I30-V239 PolarHBondContact O-N 3.35Å
31C98.8Very high95.8Very high0 Ų044.3 Ų44.30%023%0.229CC..EExtended strand (participates in β ladder)trans-81.2119.9168.2-176.50000110.3V46 C51 L53 C54 Y55 L243C31-V46 HydrophobicContact CB-CG2 4.07Å; C31-C51 PolarHBondContact N-SG 3.18Å; C31-C51 VanDerWaalsContact N-SG 3.42Å; C31-L53 PolarHBondContact N-O 3.39Å; C31-C54 HydrophobicContact CB-CB 4.12Å; C31-Y55 PolarHBondContact O-N 3.41Å; C31-L243 HydrophobicContact CB-CD1 3.82Å
32A98.7Very high96Very high2 Ų243 Ų432%0.01722%0.223CC..PPolyproline II helixtrans-68.3152.8-177.800000113.2M34 M238 V239 A240A32-M34 PolarHBondContact O-N 2.93Å; A32-M238 HydrophobicContact CB-CG 3.49Å; A32-M238 VanDerWaalsContact CB-CG 3.49Å; A32-M238 HydrophobicContact CB-SD 3.7Å; A32-V239 WeakPolarHBondContact CB-O 3.5Å; A32-V239 PolarHBondContact N-O 2.9Å; A32-A240 HydrophobicContact CB-CB 3.67Å
33P98.4Very high96.1Very high20 Ų2042.6 Ų42.613%0.1322%0.221CC..PPolyproline II helixtrans-67.5124.4168.424.1-27000110Y55 T56 Q87 K158P33-Y55 HydrophobicContact CB-CD1 4.37Å; P33-Y55 HydrophobicContact CG-CD1 3.99Å; P33-Y55 HydrophobicContact CG-CG 4.33Å; P33-T56 WeakPolarHBondContact CA-O 3.24Å; P33-T56 WeakPolarHBondContact CB-O 3.5Å; P33-Q87 HydrophobicContact CB-CB 4.08Å; P33-Q87 HydrophobicContact CB-CG 4.42Å; P33-Q87 VanDerWaalsContact CB-OE1 3.23Å; P33-K158 HydrophobicContact CG-CD 4.12Å
34M97.1Very high96.4Very high17 Ų1737 Ų378%0.08420%0.197CC..  trans-135.8113.5-178.2-66.6179.1-73.300109.2A32 R36 Y37 S38 F42 A240 L244A32-M34 PolarHBondContact O-N 2.93Å; M34-R36 PolarHBondContact O-N 3.15Å; M34-Y37 HydrophobicContact CB-CD2 4.16Å; M34-Y37 PolarHBondContact O-N 3.4Å; M34-S38 PolarHBondContact N-OG 3Å; M34-S38 PolarHBondContact O-N 2.85Å; M34-S38 VanDerWaalsContact O-N 3.11Å; M34-S38 PolarHBondContact O-OG 3.49Å; M34-F42 HydrophobicContact CE-CD1 4.36Å; M34-F42 HydrophobicContact CE-CE1 3.74Å; M34-A240 HydrophobicContact CG-CB 4.09Å; M34-A240 HydrophobicContact SD-CB 3.77Å; M34-L244 HydrophobicContact CE-CD2 3.96Å; M34-L244 HydrophobicContact CE-CG 4.17Å; M34-L244 HydrophobicContact SD-CD1 3.77Å; M34-L244 HydrophobicContact SD-CD2 4.03Å; M34-L244 HydrophobicContact SD-CG 3.74Å
35V92.8Very high96.8Very high62 Ų6233.7 Ų33.738%0.37617%0.174SC..THydrogen-bonded Turntrans-51.7127.2178.9-1730000109.1Y37 M58V35-Y37 WeakPolarHBondContact O-CD2 3.35Å; V35-Y37 WeakPolarHBondContact O-CE2 3.24Å; V35-Y37 PolarHBondContact O-N 3.2Å; V35-Y37 VanDerWaalsContact O-N 3.11Å; V35-M58 HydrophobicContact CG2-CB 4.16Å; V35-M58 HydrophobicContact CG2-CE 4.38Å
36R88.7Confident97.3Very high169 Ų16930.8 Ų30.864%0.63814%0.144SC*.THydrogen-bonded Turntrans70.5-28.3-172.6-50.7179.9-177.9174.2-1.7117M34M34-R36 PolarHBondContact O-N 3.15Å
37Y96.3Very high97.5Very high45 Ų4526 Ų2618%0.17612%0.12CC..THydrogen-bonded Turntrans-95.6-41.7-167.8-54.4-70.7000114.5M34 V35 K39 F42 L244 Q280 H281 Y284M34-Y37 HydrophobicContact CB-CD2 4.16Å; M34-Y37 PolarHBondContact O-N 3.4Å; V35-Y37 WeakPolarHBondContact O-CD2 3.35Å; V35-Y37 WeakPolarHBondContact O-CE2 3.24Å; V35-Y37 PolarHBondContact O-N 3.2Å; V35-Y37 VanDerWaalsContact O-N 3.11Å; Y37-K39 PolarHBondContact O-N 2.98Å; Y37-F42 VanDerWaalsContact O-CB 3.25Å; Y37-F42 WeakPolarHBondContact O-CB 3.4Å; Y37-L244 HydrophobicContact CD1-CD2 4.36Å; Y37-L244 HydrophobicContact CD2-CD1 4.28Å; Y37-L244 HydrophobicContact CG-CD1 4.28Å; Y37-L244 HydrophobicContact CG-CD2 4.05Å; Y37-Q280 HydrophobicContact CE1-CG 4.17Å; Y37-Q280 PolarHBondContact OH-NE2 3.07Å; Y37-H281 PolarHBondContact O-NE2 3.38Å; Y37-H281 VanDerWaalsContact O-NE2 3.12Å; Y37-Y284 HydrophobicContact CD1-CE2 4.29Å; Y37-Y284 AromaticContact CE1-CE2 3.78Å; Y37-Y284 HydrophobicContact CE1-CE2 3.78Å; Y37-Y284 PolarHBondContact OH-OH 2.9Å
38S97.5Very high97.5Very high0 Ų030.4 Ų30.40%014%0.138CC..SBendtrans-81.837-176.563.90000113.5M34 R43 Y55 T56 P57M34-S38 PolarHBondContact N-OG 3Å; M34-S38 PolarHBondContact O-N 2.85Å; M34-S38 VanDerWaalsContact O-N 3.11Å; M34-S38 PolarHBondContact O-OG 3.49Å; S38-R43 WeakPolarHBondContact O-CD 3.4Å; S38-R43 WeakPolarHBondContact O-CG 3.29Å; S38-R43 PolarHBondContact O-NH1 3.04Å; S38-Y55 WeakPolarHBondContact CB-O 3.43Å; S38-Y55 PolarHBondContact OG-O 2.82Å; S38-T56 PolarHBondContact OG-O 2.95Å; S38-P57 WeakPolarHBondContact O-CD 3.49Å; S38-P57 WeakPolarHBondContact OG-CA 3.46Å; S38-P57 VanDerWaalsContact OG-N 3.12Å
39K97.3Very high97.5Very high65 Ų6531.1 Ų31.128%0.28314%0.141SC..SBendtrans-72.5169.5174.3-69.9-164174.6-151.30111.4Y37 A41 F42 R43 P57 S73Y37-K39 PolarHBondContact O-N 2.98Å; K39-A41 PolarHBondContact O-N 2.97Å; K39-F42 PolarHBondContact O-N 3.1Å; K39-R43 VanDerWaalsContact C-NH1 3.34Å; K39-R43 PolarHBondContact O-N 2.93Å; K39-P57 HydrophobicContact CG-CG 3.82Å; K39-S73 PolarHBondContact NZ-O 2.89Å
40L98.1Very high97.5Very high15 Ų1531.9 Ų31.98%0.07915%0.151CC..Hα-helixtrans-48.1-51.7-171.817956.4000113.1F42 R43 T44 N78 D81 L271L40-F42 VanDerWaalsContact C-N 3.28Å; L40-F42 PolarHBondContact O-N 3.29Å; L40-R43 PolarHBondContact O-N 3.28Å; L40-R43 VanDerWaalsContact O-N 3.1Å; L40-T44 PolarHBondContact O-N 3.17Å; L40-T44 PolarHBondContact O-OG1 3.31Å; L40-T44 VanDerWaalsContact O-OG1 3.04Å; L40-N78 HydrophobicContact CD2-CB 4.38Å; L40-D81 HydrophobicContact CD1-CB 3.84Å; L40-L271 HydrophobicContact CD2-CD1 4.44Å; L40-L271 HydrophobicContact CD2-CD2 4.4Å; L40-L271 HydrophobicContact CG-CD1 4.13Å
41A98.3Very high97.5Very high7 Ų732.2 Ų32.26%0.05815%0.153CC..Hα-helixtrans-53.9-43.2179.800000113.1K39 T44 L45 W264 I267 L271K39-A41 PolarHBondContact O-N 2.97Å; A41-T44 PolarHBondContact O-N 3.19Å; A41-L45 PolarHBondContact O-N 2.88Å; A41-W264 HydrophobicContact CB-CH2 4.12Å; A41-W264 HydrophobicContact CB-CZ3 3.77Å; A41-I267 HydrophobicContact CB-CG2 4Å; A41-I267 WeakPolarHBondContact O-CG2 3.31Å; A41-L271 HydrophobicContact CB-CD1 3.86Å
42F98.7Very high97.4Very high1 Ų134.7 Ų34.70%0.00417%0.166CC..Hα-helixtrans-73.3-38.1-179.7-173.8-107000111.8M34 Y37 K39 L40 T44 L45 V46 L243 L244 P247 W264 H281 M285M34-F42 HydrophobicContact CE-CD1 4.36Å; M34-F42 HydrophobicContact CE-CE1 3.74Å; Y37-F42 VanDerWaalsContact O-CB 3.25Å; Y37-F42 WeakPolarHBondContact O-CB 3.4Å; K39-F42 PolarHBondContact O-N 3.1Å; L40-F42 VanDerWaalsContact C-N 3.28Å; L40-F42 PolarHBondContact O-N 3.29Å; F42-T44 VanDerWaalsContact C-N 3.32Å; F42-T44 PolarHBondContact O-N 3.32Å; F42-L45 HydrophobicContact CD2-CD2 4.41Å; F42-L45 WeakPolarHBondContact O-CB 3.45Å; F42-L45 PolarHBondContact O-N 2.91Å; F42-V46 HydrophobicContact CD1-CG1 4.24Å; F42-V46 HydrophobicContact CE1-CG1 3.73Å; F42-V46 HydrophobicContact CE2-CG1 4.11Å; F42-V46 HydrophobicContact CZ-CG1 3.66Å; F42-V46 WeakPolarHBondContact O-CG2 3.37Å; F42-V46 PolarHBondContact O-N 2.89Å; F42-L243 HydrophobicContact CE1-CB 4.4Å; F42-L243 HydrophobicContact CZ-CB 4.09Å; F42-L243 WeakPolarHBondContact CZ-O 3.41Å; F42-L244 HydrophobicContact CE1-CD2 4.21Å; F42-L244 HydrophobicContact CE2-CD2 4.34Å; F42-L244 HydrophobicContact CZ-CD2 3.93Å; F42-P247 HydrophobicContact CE2-CB 4.33Å; F42-P247 HydrophobicContact CE2-CG 4.06Å; F42-W264 HydrophobicContact CB-CZ3 4.07Å; F42-W264 HydrophobicContact CD2-CZ3 4.38Å; F42-H281 AromaticContact CD2-CE1 3.15Å; F42-H281 WeakPolarHBondContact CD2-CE1 3.43Å; F42-H281 AromaticContact CD2-ND1 3.48Å; F42-H281 WeakPolarHBondContact CD2-ND1 3.4Å; F42-H281 AromaticContact CD2-NE2 3.88Å; F42-H281 AromaticContact CE2-CE1 3.58Å; F42-H281 AromaticContact CE2-ND1 3.66Å; F42-H281 AromaticContact CG-CE1 3.44Å; F42-H281 VanDerWaalsContact CG-CE1 3.44Å; F42-H281 WeakPolarHBondContact CG-CE1 3.36Å; F42-H281 AromaticContact CG-NE2 3.92Å; F42-M285 HydrophobicContact CD2-CE 4.32Å; F42-M285 HydrophobicContact CE2-CE 4.12Å
43R98.6Very high97.4Very high3 Ų334.6 Ų34.61%0.01117%0.166CC..Hα-helixtrans-61.9-41.4173.5-62.3-167.7-52.5-94.46.2111.2S38 K39 L40 L45 V46 R47 C54 Y55 T76 D81S38-R43 WeakPolarHBondContact O-CD 3.4Å; S38-R43 WeakPolarHBondContact O-CG 3.29Å; S38-R43 PolarHBondContact O-NH1 3.04Å; K39-R43 VanDerWaalsContact C-NH1 3.34Å; K39-R43 PolarHBondContact O-N 2.93Å; L40-R43 PolarHBondContact O-N 3.28Å; L40-R43 VanDerWaalsContact O-N 3.1Å; R43-L45 VanDerWaalsContact C-N 3.34Å; R43-L45 PolarHBondContact O-N 2.98Å; R43-V46 WeakPolarHBondContact O-CG2 3.33Å; R43-R47 WeakPolarHBondContact O-CB 3.43Å; R43-R47 VanDerWaalsContact O-CG 3.23Å; R43-R47 WeakPolarHBondContact O-CG 3.28Å; R43-R47 PolarHBondContact O-N 2.97Å; R43-R47 VanDerWaalsContact O-N 3.13Å; R43-C54 HydrophobicContact CB-CB 4.12Å; R43-C54 HydrophobicContact CG-CB 3.92Å; R43-Y55 WeakPolarHBondContact CD-O 3.25Å; R43-T76 PolarHBondContact NH2-O 3.37Å; R43-D81 IonicContact CZ-OD2 3.32Å; R43-D81 IonicContact NE-OD1 3.78Å; R43-D81 IonicContact NE-OD2 3.83Å; R43-D81 PolarHBondContact NE-OD2 3.35Å; R43-D81 IonicContact NH2-OD2 3.41Å; R43-D81 PolarHBondContact NH2-OD2 2.92Å
44T98.6Very high97.4Very high32 Ų3233.6 Ų33.620%0.19616%0.159CC..Hα-helixtrans-60.1-43.8173.8-590000111.3L40 A41 F42 K48 I267L40-T44 PolarHBondContact O-N 3.17Å; L40-T44 PolarHBondContact O-OG1 3.31Å; L40-T44 VanDerWaalsContact O-OG1 3.04Å; A41-T44 PolarHBondContact O-N 3.19Å; F42-T44 VanDerWaalsContact C-N 3.32Å; F42-T44 PolarHBondContact O-N 3.32Å; T44-K48 PolarHBondContact O-N 3.29Å; T44-I267 HydrophobicContact CG2-CD1 4.04Å; T44-I267 HydrophobicContact CG2-CG1 4.33Å; T44-I267 HydrophobicContact CG2-CG2 4.09Å
45L98.8Very high97.5Very high0 Ų032.8 Ų32.80%016%0.155CC..Hα-helixtrans-61.5-56.1176.9-17769.5000112.1A41 F42 R43 R47 K48 Y49 P247 D263 W264 I267 M285A41-L45 PolarHBondContact O-N 2.88Å; F42-L45 HydrophobicContact CD2-CD2 4.41Å; F42-L45 WeakPolarHBondContact O-CB 3.45Å; F42-L45 PolarHBondContact O-N 2.91Å; R43-L45 VanDerWaalsContact C-N 3.34Å; R43-L45 PolarHBondContact O-N 2.98Å; L45-R47 PolarHBondContact O-N 2.77Å; L45-K48 WeakPolarHBondContact O-CB 3.22Å; L45-K48 PolarHBondContact O-N 3.2Å; L45-Y49 HydrophobicContact CD1-CD2 4.33Å; L45-Y49 HydrophobicContact CD1-CE2 3.87Å; L45-Y49 WeakPolarHBondContact O-CD2 3.44Å; L45-P247 HydrophobicContact CD2-CB 3.63Å; L45-P247 HydrophobicContact CD2-CG 3.69Å; L45-P247 HydrophobicContact CG-CB 4.06Å; L45-D263 HydrophobicContact CD1-CB 3.85Å; L45-W264 HydrophobicContact CB-CE3 4.46Å; L45-W264 HydrophobicContact CD1-CB 4.32Å; L45-W264 HydrophobicContact CD2-CB 3.88Å; L45-W264 HydrophobicContact CD2-CD2 4.42Å; L45-W264 HydrophobicContact CD2-CE3 3.94Å; L45-W264 HydrophobicContact CD2-CG 4.44Å; L45-I267 HydrophobicContact CB-CD1 4.28Å; L45-I267 HydrophobicContact CD1-CD1 4.09Å; L45-M285 HydrophobicContact CD2-CE 3.61Å; L45-M285 HydrophobicContact CD2-SD 4.39Å
46V98.8Very high97.8Very high0 Ų029.9 Ų29.90%014%0.137CC..Hα-helixtrans-64.1-28.5-175.4-61.10000112.5C31 F42 R43 Y49 C51 L243 P247C31-V46 HydrophobicContact CB-CG2 4.07Å; F42-V46 HydrophobicContact CD1-CG1 4.24Å; F42-V46 HydrophobicContact CE1-CG1 3.73Å; F42-V46 HydrophobicContact CE2-CG1 4.11Å; F42-V46 HydrophobicContact CZ-CG1 3.66Å; F42-V46 WeakPolarHBondContact O-CG2 3.37Å; F42-V46 PolarHBondContact O-N 2.89Å; R43-V46 WeakPolarHBondContact O-CG2 3.33Å; V46-Y49 CarbonylContact O-C 3.6Å; V46-Y49 VanDerWaalsContact O-C 3.26Å; V46-Y49 WeakPolarHBondContact O-CA 3.3Å; V46-Y49 PolarHBondContact O-N 3.42Å; V46-Y49 VanDerWaalsContact O-N 3.09Å; V46-C51 HydrophobicContact CB-CB 3.93Å; V46-C51 HydrophobicContact CG2-CB 3.93Å; V46-C51 WeakPolarHBondContact O-CB 3.49Å; V46-C51 PolarHBondContact O-N 3.12Å; V46-C51 VanDerWaalsContact O-N 3.15Å; V46-L243 HydrophobicContact CB-CD2 4.49Å; V46-L243 HydrophobicContact CG1-CD2 4.08Å; V46-P247 HydrophobicContact CG1-CB 4.04Å
47R98.2Very high98.2Very high43 Ų4321.9 Ų21.916%0.16211%0.107CC..Hα-helixtrans-65.9-36.1172.8-75.6179.4-169.8-68.65.1113.1R43 L45 Y49 S50 D52 G80 D81 C82 P83R43-R47 WeakPolarHBondContact O-CB 3.43Å; R43-R47 VanDerWaalsContact O-CG 3.23Å; R43-R47 WeakPolarHBondContact O-CG 3.28Å; R43-R47 PolarHBondContact O-N 2.97Å; R43-R47 VanDerWaalsContact O-N 3.13Å; L45-R47 PolarHBondContact O-N 2.77Å; R47-Y49 PolarHBondContact O-N 2.86Å; R47-S50 PolarHBondContact O-N 2.97Å; R47-D52 PolarHBondContact NH1-O 2.89Å; R47-G80 WeakPolarHBondContact CD-O 3.39Å; R47-D81 IonicContact CZ-OD1 3.81Å; R47-D81 IonicContact NE-OD1 3.26Å; R47-D81 PolarHBondContact NE-OD1 2.91Å; R47-D81 IonicContact NH2-OD1 2.67Å; R47-D81 PolarHBondContact NH2-OD1 2.73Å; R47-C82 PolarHBondContact NH1-O 3.42Å; R47-P83 PolarHBondContact NH2-O 3.28Å
48K98.2Very high98.2Very high115 Ų11520.4 Ų20.450%0.510%0.102SC..Hα-helixtrans-59.1-24.6171.2-77.5-177.7157.7-179.30111.9T44 L45 D263 I267T44-K48 PolarHBondContact O-N 3.29Å; L45-K48 WeakPolarHBondContact O-CB 3.22Å; L45-K48 PolarHBondContact O-N 3.2Å; K48-D263 IonicContact NZ-OD1 2.8Å; K48-D263 PolarHBondContact NZ-OD1 3.33Å; K48-I267 HydrophobicContact CD-CD1 3.9Å
49Y98.6Very high98.3Very high19 Ų1920.5 Ų20.58%0.07510%0.103CC..THydrogen-bonded Turntrans-113.548.8-178.2-63.1-78.6000113.5L45 V46 R47 C51 A248 F250 A251 Y253 C260 D263L45-Y49 HydrophobicContact CD1-CD2 4.33Å; L45-Y49 HydrophobicContact CD1-CE2 3.87Å; L45-Y49 WeakPolarHBondContact O-CD2 3.44Å; V46-Y49 CarbonylContact O-C 3.6Å; V46-Y49 VanDerWaalsContact O-C 3.26Å; V46-Y49 WeakPolarHBondContact O-CA 3.3Å; V46-Y49 PolarHBondContact O-N 3.42Å; V46-Y49 VanDerWaalsContact O-N 3.09Å; R47-Y49 PolarHBondContact O-N 2.86Å; Y49-C51 VanDerWaalsContact C-N 3.31Å; Y49-C51 PolarHBondContact O-N 3.26Å; Y49-A248 HydrophobicContact CD1-CB 3.59Å; Y49-A248 HydrophobicContact CD2-CB 4.4Å; Y49-A248 HydrophobicContact CE1-CB 4.04Å; Y49-A248 HydrophobicContact CG-CB 3.81Å; Y49-F250 WeakPolarHBondContact O-CB 3.07Å; Y49-A251 HydrophobicContact CD1-CB 4.27Å; Y49-A251 PolarHBondContact O-N 2.86Å; Y49-Y253 HydrophobicContact CD1-CE2 4.42Å; Y49-C260 HydrophobicContact CE1-CB 4.27Å; Y49-C260 HydrophobicContact CE2-CB 3.73Å; Y49-C260 WeakPolarHBondContact CE2-SG 3.49Å; Y49-C260 WeakPolarHBondContact OH-CA 3.28Å; Y49-C260 VanDerWaalsContact OH-CB 3.31Å; Y49-C260 WeakPolarHBondContact OH-CB 3.45Å; Y49-C260 PolarHBondContact OH-N 3.33Å; Y49-D263 PolarHBondContact OH-OD2 3.44Å
50S97.8Very high98.3Very high55 Ų5518.9 Ų18.939%0.38510%0.099SC..THydrogen-bonded Turntrans66.126.2166.5-53.10000115.1K29 R47K29-S50 VanDerWaalsContact CE-O 3.24Å; K29-S50 WeakPolarHBondContact CE-O 3.21Å; K29-S50 PolarHBondContact NZ-O 3.01Å; R47-S50 PolarHBondContact O-N 2.97Å
51C98.2Very high98.3Very high7 Ų718.2 Ų18.25%0.04710%0.095CC..  trans-84.7128164.5-172.60000110.6K29 C31 V46 Y49 C54 F250K29-C51 PolarHBondContact O-SG 2.84Å; K29-C51 VanDerWaalsContact O-SG 3.39Å; C31-C51 PolarHBondContact N-SG 3.18Å; C31-C51 VanDerWaalsContact N-SG 3.42Å; V46-C51 HydrophobicContact CB-CB 3.93Å; V46-C51 HydrophobicContact CG2-CB 3.93Å; V46-C51 WeakPolarHBondContact O-CB 3.49Å; V46-C51 PolarHBondContact O-N 3.12Å; V46-C51 VanDerWaalsContact O-N 3.15Å; Y49-C51 VanDerWaalsContact C-N 3.31Å; Y49-C51 PolarHBondContact O-N 3.26Å; C51-C54 VanDerWaalsContact SG-SG 3.7Å; C51-F250 HydrophobicContact CB-CD2 3.97Å; C51-F250 HydrophobicContact CB-CE2 4.47Å
52D97.8Very high98.3Very high51 Ų5118.9 Ų18.927%0.27310%0.101SC..  trans-90.8-41-170.1-47.3-53.1000112.4M21 V28 K29 R47 P83M21-D52 HydrophobicContact CE-CB 3.31Å; V28-D52 HydrophobicContact CG1-CB 4.37Å; K29-D52 VanDerWaalsContact CB-OD2 3.31Å; K29-D52 WeakPolarHBondContact CB-OD2 3.43Å; K29-D52 WeakPolarHBondContact CE-OD2 2.98Å; K29-D52 PolarHBondContact N-OD2 3.19Å; K29-D52 IonicContact NZ-OD1 3.69Å; K29-D52 PolarHBondContact O-N 3.38Å; R47-D52 PolarHBondContact NH1-O 2.89Å; D52-P83 VanDerWaalsContact O-CD 3.29Å; D52-P83 WeakPolarHBondContact O-CD 3.5Å; D52-P83 WeakPolarHBondContact O-CG 3.39Å
53L98.1Very high98.2Very high0 Ų021.8 Ų21.80%012%0.116CC..EExtended strand (participates in β ladder)trans-131.9134.4-175.7179.171.6000109.6P18 M21 F22 V28 K29 I30 C31 Y55 P83 I85 W182P18-L53 HydrophobicContact CB-CD1 4.46Å; P18-L53 HydrophobicContact CG-CD1 4.28Å; M21-L53 HydrophobicContact CE-CB 4.46Å; F22-L53 HydrophobicContact CZ-CD2 4.49Å; V28-L53 HydrophobicContact CG1-CB 4.42Å; K29-L53 PolarHBondContact O-N 3.02Å; I30-L53 CarbonylContact C-O 3.51Å; I30-L53 VanDerWaalsContact CA-O 3.3Å; I30-L53 WeakPolarHBondContact CA-O 3.44Å; I30-L53 HydrophobicContact CD1-CD2 4.03Å; I30-L53 HydrophobicContact CG1-CB 4.15Å; I30-L53 HydrophobicContact CG1-CD2 4.16Å; I30-L53 HydrophobicContact CG2-CB 4.38Å; I30-L53 HydrophobicContact CG2-CD2 4.24Å; I30-L53 HydrophobicContact CG2-CG 4.34Å; C31-L53 PolarHBondContact N-O 3.39Å; L53-Y55 HydrophobicContact CD2-CE2 4.08Å; L53-Y55 HydrophobicContact CG-CE2 4.32Å; L53-P83 HydrophobicContact CB-CG 4.48Å; L53-P83 HydrophobicContact CD1-CB 3.69Å; L53-P83 HydrophobicContact CD1-CG 3.66Å; L53-P83 WeakPolarHBondContact CD1-O 3.41Å; L53-I85 HydrophobicContact CD1-CD1 4.2Å; L53-I85 HydrophobicContact CD1-CG1 3.79Å; L53-I85 HydrophobicContact CD2-CG1 4.36Å; L53-I85 HydrophobicContact CG-CG1 4.27Å; L53-W182 HydrophobicContact CD2-CZ2 4.48Å
54C98.6Very high98.2Very high0 Ų021.7 Ų21.70%012%0.116CC..EExtended strand (participates in β ladder)trans-124.7149.9179.8-63.90000112C31 R43 C51 P83 I85C31-C54 HydrophobicContact CB-CB 4.12Å; R43-C54 HydrophobicContact CB-CB 4.12Å; R43-C54 HydrophobicContact CG-CB 3.92Å; C51-C54 VanDerWaalsContact SG-SG 3.7Å; C54-P83 PolarHBondContact N-O 3.03Å; C54-I85 PolarHBondContact O-N 3.33Å
55Y98.8Very high98.2Very high0 Ų022.3 Ų22.30%012%0.12CC..EExtended strand (participates in β ladder)trans-109.8142.8175.2-78-120.8000110.8I30 C31 P33 S38 R43 L53 I85 Q87 D111 S156 W182 M238I30-Y55 HydrophobicContact CG2-CD2 3.8Å; I30-Y55 HydrophobicContact CG2-CE2 3.65Å; C31-Y55 PolarHBondContact O-N 3.41Å; P33-Y55 HydrophobicContact CB-CD1 4.37Å; P33-Y55 HydrophobicContact CG-CD1 3.99Å; P33-Y55 HydrophobicContact CG-CG 4.33Å; S38-Y55 WeakPolarHBondContact CB-O 3.43Å; S38-Y55 PolarHBondContact OG-O 2.82Å; R43-Y55 WeakPolarHBondContact CD-O 3.25Å; L53-Y55 HydrophobicContact CD2-CE2 4.08Å; L53-Y55 HydrophobicContact CG-CE2 4.32Å; Y55-I85 VanDerWaalsContact CA-O 3.32Å; Y55-I85 WeakPolarHBondContact CA-O 3.13Å; Y55-I85 HydrophobicContact CD1-CB 4.01Å; Y55-I85 HydrophobicContact CD1-CG2 3.94Å; Y55-I85 HydrophobicContact CD2-CB 4.1Å; Y55-I85 HydrophobicContact CD2-CG1 4.38Å; Y55-I85 HydrophobicContact CE1-CB 3.92Å; Y55-I85 HydrophobicContact CE1-CG2 3.57Å; Y55-I85 HydrophobicContact CE2-CB 3.98Å; Y55-I85 HydrophobicContact CE2-CG1 3.92Å; Y55-I85 HydrophobicContact CE2-CG2 4.42Å; Y55-I85 HydrophobicContact CG-CB 4.09Å; Y55-Q87 HydrophobicContact CD1-CB 4.34Å; Y55-D111 HydrophobicContact CD1-CB 4.11Å; Y55-D111 HydrophobicContact CE1-CB 3.49Å; Y55-D111 VanDerWaalsContact CE1-CB 3.49Å; Y55-S156 PolarHBondContact OH-OG 3.39Å; Y55-W182 VanDerWaalsContact OH-CZ2 3.27Å; Y55-W182 WeakPolarHBondContact OH-CZ2 3.43Å; Y55-W182 PolarHBondContact OH-NE1 3.09Å; Y55-M238 HydrophobicContact CD1-CE 4.44Å; Y55-M238 HydrophobicContact CD2-CE 3.93Å; Y55-M238 HydrophobicContact CE1-CE 4.09Å; Y55-M238 HydrophobicContact CE2-CE 3.59Å; Y55-M238 HydrophobicContact CG-CE 4.37Å
56T98.8Very high98.1Very high0 Ų030.8 Ų30.80%015%0.151CC..PPolyproline II helixtrans-62.4169.1166.664.80000111P33 S38 F75 L84 I85 V86 Q87P33-T56 WeakPolarHBondContact CA-O 3.24Å; P33-T56 WeakPolarHBondContact CB-O 3.5Å; S38-T56 PolarHBondContact OG-O 2.95Å; T56-F75 HydrophobicContact CG2-CD2 4.09Å; T56-F75 HydrophobicContact CG2-CE2 4.16Å; T56-L84 HydrophobicContact CG2-CD1 3.91Å; T56-L84 HydrophobicContact CG2-CD2 4.44Å; T56-L84 HydrophobicContact CG2-CG 4.41Å; T56-I85 PolarHBondContact N-O 3.28Å; T56-V86 HydrophobicContact CG2-CB 4.32Å; T56-V86 HydrophobicContact CG2-CG1 4.23Å; T56-V86 HydrophobicContact CG2-CG2 4.03Å; T56-V86 WeakPolarHBondContact OG1-CA 3.31Å; T56-Q87 PolarHBondContact OG1-N 3.49Å
57P97.9Very high98Very high1 Ų132.8 Ų32.81%0.00617%0.165CC..PPolyproline II helixtrans-57.4161.9159.5-20.735.8000110S38 K39 I59S38-P57 WeakPolarHBondContact O-CD 3.49Å; S38-P57 WeakPolarHBondContact OG-CA 3.46Å; S38-P57 VanDerWaalsContact OG-N 3.12Å; K39-P57 HydrophobicContact CG-CG 3.82Å; P57-I59 WeakPolarHBondContact O-CG1 3.35Å; P57-I59 PolarHBondContact O-N 3.18Å
58M97.3Very high97.8Very high14 Ų1435.8 Ų35.87%0.06918%0.184CC..PPolyproline II helixtrans-65.1121.9170.9-176.9-175.175.200109.7V35 A89 N113 C116 W120V35-M58 HydrophobicContact CG2-CB 4.16Å; V35-M58 HydrophobicContact CG2-CE 4.38Å; M58-A89 HydrophobicContact CE-CB 4.41Å; M58-A89 HydrophobicContact CG-CB 3.9Å; M58-A89 HydrophobicContact SD-CB 3.94Å; M58-N113 HydrophobicContact CG-CB 4.26Å; M58-N113 HydrophobicContact SD-CB 4.09Å; M58-N113 PolarHBondContact SD-ND2 2.8Å; M58-N113 VanDerWaalsContact SD-ND2 3.36Å; M58-C116 HydrophobicContact SD-CB 4.38Å; M58-W120 HydrophobicContact CE-CH2 3.58Å; M58-W120 HydrophobicContact CE-CZ2 3.69Å
59I98.1Very high97.6Very high3 Ų338.6 Ų38.62%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-108.4134.9179.8-54-176.2000109.5P57 A61 F64 E74 F75 V86 Q87 F88 A89P57-I59 WeakPolarHBondContact O-CG1 3.35Å; P57-I59 PolarHBondContact O-N 3.18Å; I59-A61 PolarHBondContact O-N 3.49Å; I59-F64 HydrophobicContact CG2-CB 3.89Å; I59-F64 HydrophobicContact CG2-CD2 3.69Å; I59-F64 HydrophobicContact CG2-CG 4.08Å; I59-E74 HydrophobicContact CD1-CB 4.17Å; I59-E74 HydrophobicContact CG1-CB 4.17Å; I59-E74 HydrophobicContact CG2-CB 4.05Å; I59-F75 HydrophobicContact CD1-CB 4Å; I59-F75 HydrophobicContact CD1-CD2 4.42Å; I59-V86 HydrophobicContact CD1-CG1 3.92Å; I59-Q87 PolarHBondContact N-O 2.85Å; I59-F88 HydrophobicContact CB-CD1 3.99Å; I59-F88 HydrophobicContact CB-CE1 4.05Å; I59-F88 HydrophobicContact CG2-CD1 4.26Å; I59-F88 HydrophobicContact CG2-CE1 4.03Å; I59-F88 CarbonylContact O-C 3.5Å; I59-F88 VanDerWaalsContact O-CA 3.27Å; I59-F88 WeakPolarHBondContact O-CA 3.42Å; I59-A89 PolarHBondContact O-N 3.14Å
60V98.1Very high97.3Very high31 Ų3139 Ų3919%0.18820%0.203CC..EExtended strand (participates in β ladder)trans-75.3114.2173.7179.70000109.3A62 D63 F64 Y126V60-A62 PolarHBondContact O-N 2.96Å; V60-D63 HydrophobicContact CB-CB 4.33Å; V60-D63 HydrophobicContact CG1-CB 4.36Å; V60-D63 PolarHBondContact O-N 3.05Å; V60-F64 WeakPolarHBondContact O-CB 3.43Å; V60-F64 PolarHBondContact O-N 3.25Å; V60-Y126 HydrophobicContact CG1-CE2 4.35Å
61A98.3Very high97.1Very high0 Ų039 Ų390%020%0.195CC..Hα-helixtrans-61.4-41.4-172.200000112.7I59 D63 F64 V65 F88 A89 A90 I95 A99I59-A61 PolarHBondContact O-N 3.49Å; A61-D63 VanDerWaalsContact C-N 3.3Å; A61-D63 PolarHBondContact O-N 3.34Å; A61-F64 WeakPolarHBondContact O-CB 3.42Å; A61-F64 PolarHBondContact O-N 3.37Å; A61-V65 WeakPolarHBondContact O-CG2 3.48Å; A61-V65 PolarHBondContact O-N 3.31Å; A61-F88 HydrophobicContact CB-CB 4.25Å; A61-F88 HydrophobicContact CB-CD1 3.92Å; A61-F88 HydrophobicContact CB-CG 4.26Å; A61-A89 PolarHBondContact N-O 3.34Å; A61-A90 HydrophobicContact CB-CB 3.93Å; A61-I95 HydrophobicContact CB-CG2 3.84Å; A61-A99 HydrophobicContact CB-CB 4.2Å
62A97.9Very high96.8Very high22 Ų2243.2 Ų43.218%0.18222%0.217CC..Hα-helixtrans-60.8-38.9179.800000112.6V60 R66 I95V60-A62 PolarHBondContact O-N 2.96Å; A62-R66 WeakPolarHBondContact O-CB 3.43Å; A62-R66 PolarHBondContact O-N 2.97Å; A62-R66 VanDerWaalsContact O-N 3.15Å; A62-R66 PolarHBondContact O-NH1 3.23Å; A62-I95 HydrophobicContact CB-CD1 4.27Å; A62-I95 HydrophobicContact CB-CG2 4.14Å
63D97.5Very high96.5Very high61 Ų6144 Ų4433%0.32623%0.226SC..Hα-helixtrans-74.9-38.1178.4-66-15.7000111.3V60 A61 R66 S67 A70V60-D63 HydrophobicContact CB-CB 4.33Å; V60-D63 HydrophobicContact CG1-CB 4.36Å; V60-D63 PolarHBondContact O-N 3.05Å; A61-D63 VanDerWaalsContact C-N 3.3Å; A61-D63 PolarHBondContact O-N 3.34Å; D63-R66 PolarHBondContact O-N 3.03Å; D63-R66 IonicContact OD1-CZ 3.26Å; D63-R66 VanDerWaalsContact OD1-CZ 3.26Å; D63-R66 IonicContact OD1-NH1 3Å; D63-R66 PolarHBondContact OD1-NH1 3.38Å; D63-R66 IonicContact OD1-NH2 2.67Å; D63-R66 PolarHBondContact OD1-NH2 2.92Å; D63-S67 PolarHBondContact O-N 3.23Å; D63-A70 HydrophobicContact CB-CB 4.35Å
64F97.8Very high96.2Very high1 Ų147.4 Ų47.40%0.00424%0.242CC..Hα-helixtrans-62.4-41.3177.8-173.3-96.6000113.2I59 V60 A61 R71 F75 F88 A99 I102 V103I59-F64 HydrophobicContact CG2-CB 3.89Å; I59-F64 HydrophobicContact CG2-CD2 3.69Å; I59-F64 HydrophobicContact CG2-CG 4.08Å; V60-F64 WeakPolarHBondContact O-CB 3.43Å; V60-F64 PolarHBondContact O-N 3.25Å; A61-F64 WeakPolarHBondContact O-CB 3.42Å; A61-F64 PolarHBondContact O-N 3.37Å; F64-R71 HydrophobicContact CD2-CB 3.75Å; F64-R71 HydrophobicContact CD2-CG 3.92Å; F64-R71 HydrophobicContact CE1-CG 4.42Å; F64-R71 HydrophobicContact CE2-CB 3.75Å; F64-R71 HydrophobicContact CE2-CG 3.36Å; F64-R71 HydrophobicContact CG-CB 4.37Å; F64-R71 HydrophobicContact CZ-CB 4.35Å; F64-R71 HydrophobicContact CZ-CG 3.64Å; F64-R71 PolarHBondContact O-NH1 3.49Å; F64-F75 HydrophobicContact CE2-CB 3.6Å; F64-F75 HydrophobicContact CE2-CG 4.22Å; F64-F75 HydrophobicContact CZ-CB 4.29Å; F64-F75 HydrophobicContact CZ-CD1 4.45Å; F64-F75 HydrophobicContact CZ-CG 4.45Å; F64-F88 HydrophobicContact CB-CE1 4.24Å; F64-F88 AromaticContact CD1-CE1 3.88Å; F64-F88 HydrophobicContact CD1-CE1 3.88Å; F64-F88 HydrophobicContact CD1-CZ 4.05Å; F64-F88 HydrophobicContact CD2-CE1 4.4Å; F64-F88 HydrophobicContact CE1-CE1 4.34Å; F64-F88 HydrophobicContact CE1-CZ 4.1Å; F64-F88 AromaticContact CG-CE1 3.92Å; F64-F88 HydrophobicContact CG-CE1 3.92Å; F64-F88 HydrophobicContact CG-CZ 4.48Å; F64-A99 HydrophobicContact CD1-CB 4.16Å; F64-I102 HydrophobicContact CE1-CB 3.97Å; F64-I102 HydrophobicContact CE1-CD1 4.42Å; F64-I102 HydrophobicContact CE1-CG2 3.55Å; F64-I102 HydrophobicContact CZ-CG2 3.99Å; F64-V103 HydrophobicContact CE1-CG1 3.66Å; F64-V103 HydrophobicContact CZ-CG1 3.49Å; F64-V103 VanDerWaalsContact CZ-CG1 3.49Å
65V97.8Very high96.1Very high46 Ų4648 Ų4828%0.27925%0.245SC..Hα-helixtrans-71.7-45.8176.1173.40000110.3A61 I95 D98 A99 I102A61-V65 WeakPolarHBondContact O-CG2 3.48Å; A61-V65 PolarHBondContact O-N 3.31Å; V65-I95 HydrophobicContact CG2-CG2 4.47Å; V65-D98 HydrophobicContact CG1-CB 4.15Å; V65-D98 HydrophobicContact CG2-CB 3.94Å; V65-A99 HydrophobicContact CG2-CB 3.8Å; V65-I102 HydrophobicContact CG2-CD1 4.25Å
66R97.2Very high95.9Very high177 Ų17751 Ų5167%0.66826%0.264SS*.Hα-helixtrans-72-34.8-172.4-173.3173.371.9-103.83114A62 D63A62-R66 WeakPolarHBondContact O-CB 3.43Å; A62-R66 PolarHBondContact O-N 2.97Å; A62-R66 VanDerWaalsContact O-N 3.15Å; A62-R66 PolarHBondContact O-NH1 3.23Å; D63-R66 PolarHBondContact O-N 3.03Å; D63-R66 IonicContact OD1-CZ 3.26Å; D63-R66 VanDerWaalsContact OD1-CZ 3.26Å; D63-R66 IonicContact OD1-NH1 3Å; D63-R66 PolarHBondContact OD1-NH1 3.38Å; D63-R66 IonicContact OD1-NH2 2.67Å; D63-R66 PolarHBondContact OD1-NH2 2.92Å
67S96.8Very high95.8Very high42 Ų4252.5 Ų52.529%0.29427%0.272SS..  trans-129.8115.3-167.41770000112.3D63 K69 A70 R71D63-S67 PolarHBondContact O-N 3.23Å; S67-K69 PolarHBondContact O-N 3.16Å; S67-K69 PolarHBondContact OG-N 3.24Å; S67-A70 PolarHBondContact O-N 3.38Å; S67-A70 VanDerWaalsContact O-N 3.14Å; S67-A70 PolarHBondContact OG-N 2.67Å; S67-R71 PolarHBondContact O-N 2.85Å
68I94.8Very high95.6Very high107 Ų10755 Ų5555%0.54929%0.286SS..Hα-helixtrans-56.2-43.3172.5-49.8-168.9000110.4A70 R71 D72I68-A70 VanDerWaalsContact C-N 3.33Å; I68-A70 PolarHBondContact O-N 2.88Å; I68-R71 WeakPolarHBondContact O-CB 3.3Å; I68-R71 PolarHBondContact O-N 3.49Å; I68-D72 PolarHBondContact O-N 3.19Å
69K93.8Very high95.2Very high173 Ų17361.6 Ų61.675%0.75232%0.317SS*.Hα-helixtrans-61.6-39.9178.4-176179.9178.8-178.50112.5S67 S73S67-K69 PolarHBondContact O-N 3.16Å; S67-K69 PolarHBondContact OG-N 3.24Å; K69-S73 WeakPolarHBondContact O-CB 3.27Å; K69-S73 PolarHBondContact O-N 2.95Å
70A91.4Very high94.9Very high28 Ų2864.1 Ų64.123%0.23134%0.343CS..Hα-helixtrans-67.6-44.1176.200000110.4D63 S67 I68 D72 S73 E74D63-A70 HydrophobicContact CB-CB 4.35Å; S67-A70 PolarHBondContact O-N 3.38Å; S67-A70 VanDerWaalsContact O-N 3.14Å; S67-A70 PolarHBondContact OG-N 2.67Å; I68-A70 VanDerWaalsContact C-N 3.33Å; I68-A70 PolarHBondContact O-N 2.88Å; A70-D72 PolarHBondContact O-N 3.15Å; A70-S73 PolarHBondContact O-N 3.28Å; A70-E74 WeakPolarHBondContact O-CB 3.45Å; A70-E74 WeakPolarHBondContact O-CG 3.4Å; A70-E74 PolarHBondContact O-N 2.87Å
71R94.8Very high94.7Very high55 Ų5562.7 Ų62.721%0.20833%0.334CS..Hα-helixtrans-56.7-49.9175.3165.6164.871-13710.3112.6F64 S67 I68 S73 E74 F75F64-R71 HydrophobicContact CD2-CB 3.75Å; F64-R71 HydrophobicContact CD2-CG 3.92Å; F64-R71 HydrophobicContact CE1-CG 4.42Å; F64-R71 HydrophobicContact CE2-CB 3.75Å; F64-R71 HydrophobicContact CE2-CG 3.36Å; F64-R71 HydrophobicContact CG-CB 4.37Å; F64-R71 HydrophobicContact CZ-CB 4.35Å; F64-R71 HydrophobicContact CZ-CG 3.64Å; F64-R71 PolarHBondContact O-NH1 3.49Å; S67-R71 PolarHBondContact O-N 2.85Å; I68-R71 WeakPolarHBondContact O-CB 3.3Å; I68-R71 PolarHBondContact O-N 3.49Å; R71-S73 VanDerWaalsContact C-N 3.25Å; R71-S73 PolarHBondContact O-N 3.27Å; R71-E74 PolarHBondContact O-N 2.93Å; R71-F75 PolarHBondContact O-N 3.13Å
72D91.8Very high94.5Very high95 Ų9564 Ų6451%0.50834%0.343SS..Hα-helixtrans-67.2-27.7-177.9-61.4-12.8000112.3I68 A70I68-D72 PolarHBondContact O-N 3.19Å; A70-D72 PolarHBondContact O-N 3.15Å
73S90.3Very high94.4Very high68 Ų6863.1 Ų63.148%0.47634%0.336SS..Hα-helixtrans-75.2-38.2175.6175.70000113.2K39 K69 A70 R71K39-S73 PolarHBondContact NZ-O 2.89Å; K69-S73 WeakPolarHBondContact O-CB 3.27Å; K69-S73 PolarHBondContact O-N 2.95Å; A70-S73 PolarHBondContact O-N 3.28Å; R71-S73 VanDerWaalsContact C-N 3.25Å; R71-S73 PolarHBondContact O-N 3.27Å
74E91.8Very high94.4Very high72 Ų7260.2 Ų60.234%0.33632%0.32SS..Hα-helixtrans-94.7-30.1-172.1-63.3-49.9129.700113.4I59 A70 R71I59-E74 HydrophobicContact CD1-CB 4.17Å; I59-E74 HydrophobicContact CG1-CB 4.17Å; I59-E74 HydrophobicContact CG2-CB 4.05Å; A70-E74 WeakPolarHBondContact O-CB 3.45Å; A70-E74 WeakPolarHBondContact O-CG 3.4Å; A70-E74 PolarHBondContact O-N 2.87Å; R71-E74 PolarHBondContact O-N 2.93Å
75F96.5Very high94.5Very high12 Ų1260.2 Ų60.25%0.05332%0.32CS..  trans-119.2118-176.7-177.7-110.1000112.3T56 I59 F64 R71 T77 L84 V86 Y106T56-F75 HydrophobicContact CG2-CD2 4.09Å; T56-F75 HydrophobicContact CG2-CE2 4.16Å; I59-F75 HydrophobicContact CD1-CB 4Å; I59-F75 HydrophobicContact CD1-CD2 4.42Å; F64-F75 HydrophobicContact CE2-CB 3.6Å; F64-F75 HydrophobicContact CE2-CG 4.22Å; F64-F75 HydrophobicContact CZ-CB 4.29Å; F64-F75 HydrophobicContact CZ-CD1 4.45Å; F64-F75 HydrophobicContact CZ-CG 4.45Å; R71-F75 PolarHBondContact O-N 3.13Å; F75-T77 HydrophobicContact CE1-CG2 4.05Å; F75-T77 HydrophobicContact CZ-CG2 3.82Å; F75-L84 HydrophobicContact CE2-CD2 4.07Å; F75-L84 HydrophobicContact CZ-CD2 4.47Å; F75-V86 HydrophobicContact CD2-CG1 4.46Å; F75-V86 HydrophobicContact CD2-CG2 4.17Å; F75-V86 HydrophobicContact CE2-CG2 3.58Å; F75-V86 HydrophobicContact CZ-CG2 4.3Å; F75-Y106 HydrophobicContact CE1-CD2 4.35Å; F75-Y106 HydrophobicContact CE1-CG 4.36Å
76T95.4Very high94.5Very high64 Ų6458 Ų5839%0.39331%0.307SS..  trans-137.1143.5171.7440000108.5R43R43-T76 PolarHBondContact NH2-O 3.37Å
77T96.4Very high94.6Very high30 Ų3049.7 Ų49.718%0.18428%0.276CS..  trans-154.1167.3179.8-170.50000110.5F75F75-T77 HydrophobicContact CE1-CG2 4.05Å; F75-T77 HydrophobicContact CZ-CG2 3.82Å
78N93.9Very high94.7Very high53 Ų5347.7 Ų47.728%0.28326%0.262SS..  trans-148.2-178.4175.567.327.1000110.8L40 G80 D81L40-N78 HydrophobicContact CD2-CB 4.38Å; N78-G80 VanDerWaalsContact C-N 3.26Å; N78-G80 PolarHBondContact O-N 2.9Å; N78-G80 PolarHBondContact OD1-N 3.02Å; N78-D81 PolarHBondContact O-N 2.93Å; N78-D81 PolarHBondContact OD1-N 3.04Å; N78-D81 VanDerWaalsContact OD1-N 3.12Å
79Q88.8Confident94.8Very high154 Ų15442.6 Ų42.672%0.7224%0.235SC*.THydrogen-bonded Turntrans-61.6-31-178-67.6-176.6-6.800113.8I10 D81I10-Q79 HydrophobicContact CG1-CG 4.41Å; I10-Q79 HydrophobicContact CG2-CG 3.73Å; Q79-D81 VanDerWaalsContact C-N 3.34Å
80G91.4Very high95Very high55 Ų5534.5 Ų34.557%0.56720%0.201SC*.THydrogen-bonded Turntrans-82.5-9.3-179.800000114R47 N78 C82R47-G80 WeakPolarHBondContact CD-O 3.39Å; N78-G80 VanDerWaalsContact C-N 3.26Å; N78-G80 PolarHBondContact O-N 2.9Å; N78-G80 PolarHBondContact OD1-N 3.02Å; G80-C82 VanDerWaalsContact C-N 3.33Å; G80-C82 PolarHBondContact O-N 2.89Å; G80-C82 VanDerWaalsContact O-N 3.15Å
81D95.3Very high95.3Very high2 Ų236 Ų361%0.01121%0.205CC..  trans-91.466.4-178.2-167.720.6000112L40 R43 R47 N78 Q79 L84L40-D81 HydrophobicContact CD1-CB 3.84Å; R43-D81 IonicContact CZ-OD2 3.32Å; R43-D81 IonicContact NE-OD1 3.78Å; R43-D81 IonicContact NE-OD2 3.83Å; R43-D81 PolarHBondContact NE-OD2 3.35Å; R43-D81 IonicContact NH2-OD2 3.41Å; R43-D81 PolarHBondContact NH2-OD2 2.92Å; R47-D81 IonicContact CZ-OD1 3.81Å; R47-D81 IonicContact NE-OD1 3.26Å; R47-D81 PolarHBondContact NE-OD1 2.91Å; R47-D81 IonicContact NH2-OD1 2.67Å; R47-D81 PolarHBondContact NH2-OD1 2.73Å; N78-D81 PolarHBondContact O-N 2.93Å; N78-D81 PolarHBondContact OD1-N 3.04Å; N78-D81 VanDerWaalsContact OD1-N 3.12Å; Q79-D81 VanDerWaalsContact C-N 3.34Å; D81-L84 WeakPolarHBondContact O-CB 3.32Å; D81-L84 WeakPolarHBondContact OD2-CD2 3.28Å
82C92.9Very high95.5Very high28 Ų2835.8 Ų35.819%0.18921%0.208CC..  trans-145.2137.4-179.1177.90000110.8R47 G80R47-C82 PolarHBondContact NH1-O 3.42Å; G80-C82 VanDerWaalsContact C-N 3.33Å; G80-C82 PolarHBondContact O-N 2.89Å; G80-C82 VanDerWaalsContact O-N 3.15Å
83P95.9Very high95.8Very high3 Ų332.2 Ų32.22%0.01919%0.191CC..SBendcis-76.1138.2-2.427.5-33.3000113.7P18 M21 R47 D52 L53 C54 N108P18-P83 HydrophobicContact CG-CB 4.13Å; M21-P83 HydrophobicContact CE-CG 4.35Å; M21-P83 HydrophobicContact SD-CG 3.63Å; R47-P83 PolarHBondContact NH2-O 3.28Å; D52-P83 VanDerWaalsContact O-CD 3.29Å; D52-P83 WeakPolarHBondContact O-CD 3.5Å; D52-P83 WeakPolarHBondContact O-CG 3.39Å; L53-P83 HydrophobicContact CB-CG 4.48Å; L53-P83 HydrophobicContact CD1-CB 3.69Å; L53-P83 HydrophobicContact CD1-CG 3.66Å; L53-P83 WeakPolarHBondContact CD1-O 3.41Å; C54-P83 PolarHBondContact N-O 3.03Å; P83-N108 WeakPolarHBondContact CA-OD1 3.45Å; P83-N108 HydrophobicContact CB-CB 4.29Å
84L97.9Very high96.2Very high0 Ų037.3 Ų37.30%020%0.2CC..EExtended strand (participates in β ladder)trans-121134.5-176.7176.366.1000111.7T56 F75 D81 N108T56-L84 HydrophobicContact CG2-CD1 3.91Å; T56-L84 HydrophobicContact CG2-CD2 4.44Å; T56-L84 HydrophobicContact CG2-CG 4.41Å; F75-L84 HydrophobicContact CE2-CD2 4.07Å; F75-L84 HydrophobicContact CZ-CD2 4.47Å; D81-L84 WeakPolarHBondContact O-CB 3.32Å; D81-L84 WeakPolarHBondContact OD2-CD2 3.28Å; L84-N108 PolarHBondContact N-OD1 3.43Å; L84-N108 PolarHBondContact O-N 3.28Å
85I98.7Very high96.5Very high0 Ų036.4 Ų36.40%020%0.197CC..EExtended strand (participates in β ladder)trans-113.6127173-50.7-59.2000109.8P18 L53 C54 Y55 T56 N108 G109 D111 W182P18-I85 HydrophobicContact CG-CD1 4.24Å; L53-I85 HydrophobicContact CD1-CD1 4.2Å; L53-I85 HydrophobicContact CD1-CG1 3.79Å; L53-I85 HydrophobicContact CD2-CG1 4.36Å; L53-I85 HydrophobicContact CG-CG1 4.27Å; C54-I85 PolarHBondContact O-N 3.33Å; Y55-I85 VanDerWaalsContact CA-O 3.32Å; Y55-I85 WeakPolarHBondContact CA-O 3.13Å; Y55-I85 HydrophobicContact CD1-CB 4.01Å; Y55-I85 HydrophobicContact CD1-CG2 3.94Å; Y55-I85 HydrophobicContact CD2-CB 4.1Å; Y55-I85 HydrophobicContact CD2-CG1 4.38Å; Y55-I85 HydrophobicContact CE1-CB 3.92Å; Y55-I85 HydrophobicContact CE1-CG2 3.57Å; Y55-I85 HydrophobicContact CE2-CB 3.98Å; Y55-I85 HydrophobicContact CE2-CG1 3.92Å; Y55-I85 HydrophobicContact CE2-CG2 4.42Å; Y55-I85 HydrophobicContact CG-CB 4.09Å; T56-I85 PolarHBondContact N-O 3.28Å; I85-N108 HydrophobicContact CD1-CB 4.43Å; I85-G109 WeakPolarHBondContact CA-O 3.47Å; I85-D111 HydrophobicContact CG2-CB 3.7Å; I85-W182 HydrophobicContact CD1-CH2 3.57Å; I85-W182 HydrophobicContact CD1-CZ2 3.89Å; I85-W182 HydrophobicContact CG1-CH2 4.15Å; I85-W182 HydrophobicContact CG1-CZ2 3.94Å
86V98.8Very high96.6Very high0 Ų035.8 Ų35.80%019%0.194CC..EExtended strand (participates in β ladder)trans-91.9114.3176.3-172.70000109.4T56 I59 F75 F88 V103 A107 G109 I110 D111T56-V86 HydrophobicContact CG2-CB 4.32Å; T56-V86 HydrophobicContact CG2-CG1 4.23Å; T56-V86 HydrophobicContact CG2-CG2 4.03Å; T56-V86 WeakPolarHBondContact OG1-CA 3.31Å; I59-V86 HydrophobicContact CD1-CG1 3.92Å; F75-V86 HydrophobicContact CD2-CG1 4.46Å; F75-V86 HydrophobicContact CD2-CG2 4.17Å; F75-V86 HydrophobicContact CE2-CG2 3.58Å; F75-V86 HydrophobicContact CZ-CG2 4.3Å; V86-F88 HydrophobicContact CB-CE2 4.11Å; V86-F88 HydrophobicContact CB-CZ 4.42Å; V86-F88 HydrophobicContact CG1-CD2 4.31Å; V86-F88 HydrophobicContact CG1-CE1 4.11Å; V86-F88 HydrophobicContact CG1-CE2 3.69Å; V86-F88 HydrophobicContact CG1-CZ 3.57Å; V86-V103 HydrophobicContact CB-CG2 4.25Å; V86-V103 HydrophobicContact CG1-CG1 4.33Å; V86-V103 HydrophobicContact CG2-CB 4.03Å; V86-V103 HydrophobicContact CG2-CG1 4.18Å; V86-V103 HydrophobicContact CG2-CG2 4.12Å; V86-A107 HydrophobicContact CG2-CB 3.74Å; V86-G109 PolarHBondContact N-O 3.22Å; V86-I110 CarbonylContact O-C 3.39Å; V86-I110 VanDerWaalsContact O-CA 3.24Å; V86-I110 WeakPolarHBondContact O-CA 3.39Å; V86-D111 PolarHBondContact O-N 3.11Å
87Q98.8Very high96.8Very high3 Ų332.8 Ų32.81%0.01418%0.176CC..EExtended strand (participates in β ladder)trans-86.3125.9177.6-174.3176.879.600111.3P33 Y55 T56 I59 D111 N113P33-Q87 HydrophobicContact CB-CB 4.08Å; P33-Q87 HydrophobicContact CB-CG 4.42Å; P33-Q87 VanDerWaalsContact CB-OE1 3.23Å; Y55-Q87 HydrophobicContact CD1-CB 4.34Å; T56-Q87 PolarHBondContact OG1-N 3.49Å; I59-Q87 PolarHBondContact N-O 2.85Å; Q87-D111 CarbonylContact C-O 3.47Å; Q87-D111 WeakPolarHBondContact CA-O 3.47Å; Q87-D111 HydrophobicContact CB-CB 4.26Å; Q87-D111 HydrophobicContact CG-CB 4.25Å; Q87-D111 WeakPolarHBondContact CG-OD2 3.33Å; Q87-D111 PolarHBondContact NE2-OD2 3.31Å; Q87-N113 HydrophobicContact CG-CB 3.97Å; Q87-N113 PolarHBondContact OE1-ND2 2.64Å
88F98.8Very high96.9Very high0 Ų034.6 Ų34.60%019%0.185CC..EExtended strand (participates in β ladder)trans-109.2140.3175.5-71.1-67.8000112.8I59 A61 F64 V86 L96 A99 V103 I110 D111 N113I59-F88 HydrophobicContact CB-CD1 3.99Å; I59-F88 HydrophobicContact CB-CE1 4.05Å; I59-F88 HydrophobicContact CG2-CD1 4.26Å; I59-F88 HydrophobicContact CG2-CE1 4.03Å; I59-F88 CarbonylContact O-C 3.5Å; I59-F88 VanDerWaalsContact O-CA 3.27Å; I59-F88 WeakPolarHBondContact O-CA 3.42Å; A61-F88 HydrophobicContact CB-CB 4.25Å; A61-F88 HydrophobicContact CB-CD1 3.92Å; A61-F88 HydrophobicContact CB-CG 4.26Å; F64-F88 HydrophobicContact CB-CE1 4.24Å; F64-F88 AromaticContact CD1-CE1 3.88Å; F64-F88 HydrophobicContact CD1-CE1 3.88Å; F64-F88 HydrophobicContact CD1-CZ 4.05Å; F64-F88 HydrophobicContact CD2-CE1 4.4Å; F64-F88 HydrophobicContact CE1-CE1 4.34Å; F64-F88 HydrophobicContact CE1-CZ 4.1Å; F64-F88 AromaticContact CG-CE1 3.92Å; F64-F88 HydrophobicContact CG-CE1 3.92Å; F64-F88 HydrophobicContact CG-CZ 4.48Å; V86-F88 HydrophobicContact CB-CE2 4.11Å; V86-F88 HydrophobicContact CB-CZ 4.42Å; V86-F88 HydrophobicContact CG1-CD2 4.31Å; V86-F88 HydrophobicContact CG1-CE1 4.11Å; V86-F88 HydrophobicContact CG1-CE2 3.69Å; V86-F88 HydrophobicContact CG1-CZ 3.57Å; F88-L96 HydrophobicContact CB-CD1 3.68Å; F88-L96 HydrophobicContact CD2-CD1 3.99Å; F88-L96 HydrophobicContact CG-CD1 4.08Å; F88-A99 HydrophobicContact CD1-CB 4.34Å; F88-A99 HydrophobicContact CD2-CB 4.43Å; F88-A99 HydrophobicContact CE1-CB 3.91Å; F88-A99 HydrophobicContact CE2-CB 3.99Å; F88-A99 HydrophobicContact CZ-CB 3.72Å; F88-V103 HydrophobicContact CE2-CG2 4.1Å; F88-V103 HydrophobicContact CZ-CG1 4.02Å; F88-V103 HydrophobicContact CZ-CG2 4.37Å; F88-I110 HydrophobicContact CD2-CB 4.16Å; F88-I110 HydrophobicContact CD2-CG2 3.91Å; F88-I110 HydrophobicContact CE2-CB 4.38Å; F88-I110 HydrophobicContact CE2-CG2 3.63Å; F88-D111 PolarHBondContact N-O 3.12Å; F88-N113 PolarHBondContact O-N 2.89Å
89A98.3Very high97.1Very high0 Ų032.1 Ų32.10%017%0.171CC..EExtended strand (participates in β ladder)trans-89.1115.6154.400000107.8M58 I59 A61 Y126M58-A89 HydrophobicContact CE-CB 4.41Å; M58-A89 HydrophobicContact CG-CB 3.9Å; M58-A89 HydrophobicContact SD-CB 3.94Å; I59-A89 PolarHBondContact O-N 3.14Å; A61-A89 PolarHBondContact N-O 3.34Å; A89-Y126 HydrophobicContact CB-CD1 4.31Å; A89-Y126 HydrophobicContact CB-CD2 4.18Å; A89-Y126 HydrophobicContact CB-CG 3.91Å
90A98.1Very high97.5Very high3 Ų324.8 Ų24.83%0.02514%0.137CC..  trans-146.6152.5-178.300000110.7A61 L96 Y126 M140A61-A90 HydrophobicContact CB-CB 3.93Å; A90-L96 HydrophobicContact CB-CB 4.03Å; A90-L96 HydrophobicContact CB-CD1 3.83Å; A90-L96 HydrophobicContact CB-CG 4.37Å; A90-Y126 VanDerWaalsContact C-CD1 3.45Å; A90-M140 HydrophobicContact CB-SD 4.03Å
91N97.3Very high97.8Very high58 Ų5826 Ų2631%0.3113%0.128SC..SBendtrans-139.410.6177.664-0.8000111.7E124 Y126N91-E124 PolarHBondContact ND2-O 2.82Å; N91-Y126 HydrophobicContact CB-CD1 3.9Å; N91-Y126 HydrophobicContact CB-CE1 3.79Å
92D98.4Very high97.9Very high52 Ų5228.4 Ų28.428%0.27814%0.14SC..  trans-138.8129.2179.3178.5-75.6000109R94 I95 L96D92-R94 WeakPolarHBondContact OD1-CA 3.42Å; D92-R94 WeakPolarHBondContact OD1-CB 3.48Å; D92-R94 PolarHBondContact OD1-N 2.93Å; D92-I95 HydrophobicContact CB-CB 4.16Å; D92-I95 HydrophobicContact CB-CD1 4.02Å; D92-I95 HydrophobicContact CB-CG1 4.16Å; D92-I95 PolarHBondContact OD1-N 2.93Å; D92-L96 PolarHBondContact O-N 3.49Å
93A98.3Very high98.1Very high19 Ų1927.1 Ų27.116%0.15713%0.131CC..Hα-helixtrans-66.7-37.2-174.500000113.4S97 D139 M140 Q143A93-S97 PolarHBondContact O-N 3.45Å; A93-S97 PolarHBondContact O-OG 2.93Å; A93-D139 HydrophobicContact CB-CB 4.43Å; A93-M140 HydrophobicContact CB-CG 4.19Å; A93-Q143 HydrophobicContact CB-CB 3.8Å; A93-Q143 HydrophobicContact CB-CG 4.15Å; A93-Q143 WeakPolarHBondContact O-CG 3.37Å
94R98.4Very high98.1Very high176 Ų17628 Ų2866%0.66414%0.137SC*.Hα-helixtrans-70.3-46.1179.7-70.4-177.6-82.4-149.5-5.3110.5D92 L96 S97 D98D92-R94 WeakPolarHBondContact OD1-CA 3.42Å; D92-R94 WeakPolarHBondContact OD1-CB 3.48Å; D92-R94 PolarHBondContact OD1-N 2.93Å; R94-L96 VanDerWaalsContact C-N 3.29Å; R94-L96 PolarHBondContact O-N 3.25Å; R94-S97 WeakPolarHBondContact CA-OG 3.49Å; R94-S97 PolarHBondContact O-N 2.98Å; R94-S97 PolarHBondContact O-OG 2.7Å; R94-D98 PolarHBondContact O-N 3.18Å
95I98.5Very high97.9Very high52 Ų5230.8 Ų30.827%0.26716%0.156SC..Hα-helixtrans-60.1-42176.9-66.6177.8000110.9A61 A62 V65 D92 A99A61-I95 HydrophobicContact CB-CG2 3.84Å; A62-I95 HydrophobicContact CB-CD1 4.27Å; A62-I95 HydrophobicContact CB-CG2 4.14Å; V65-I95 HydrophobicContact CG2-CG2 4.47Å; D92-I95 HydrophobicContact CB-CB 4.16Å; D92-I95 HydrophobicContact CB-CD1 4.02Å; D92-I95 HydrophobicContact CB-CG1 4.16Å; D92-I95 PolarHBondContact OD1-N 2.93Å; I95-A99 WeakPolarHBondContact O-CB 3.41Å; I95-A99 PolarHBondContact O-N 3.47Å
96L98.8Very high97.8Very high0 Ų033 Ų330%016%0.164CC..Hα-helixtrans-65.4-41.9176.7-174.968.2000112F88 A90 D92 R94 A99 A100 I110 I112 M140 V144F88-L96 HydrophobicContact CB-CD1 3.68Å; F88-L96 HydrophobicContact CD2-CD1 3.99Å; F88-L96 HydrophobicContact CG-CD1 4.08Å; A90-L96 HydrophobicContact CB-CB 4.03Å; A90-L96 HydrophobicContact CB-CD1 3.83Å; A90-L96 HydrophobicContact CB-CG 4.37Å; D92-L96 PolarHBondContact O-N 3.49Å; R94-L96 VanDerWaalsContact C-N 3.29Å; R94-L96 PolarHBondContact O-N 3.25Å; L96-A99 PolarHBondContact O-N 2.91Å; L96-A100 WeakPolarHBondContact O-CB 3.29Å; L96-A100 PolarHBondContact O-N 3.25Å; L96-I110 HydrophobicContact CD1-CD1 4.19Å; L96-I110 HydrophobicContact CD2-CD1 4.16Å; L96-I110 HydrophobicContact CG-CD1 4.31Å; L96-I112 HydrophobicContact CD2-CD1 3.59Å; L96-I112 HydrophobicContact CD2-CG1 3.77Å; L96-M140 HydrophobicContact CD2-CB 3.71Å; L96-M140 HydrophobicContact CD2-CG 4.19Å; L96-M140 HydrophobicContact CD2-SD 4.14Å; L96-V144 HydrophobicContact CB-CG2 4.41Å; L96-V144 HydrophobicContact CD2-CG2 3.77Å; L96-V144 HydrophobicContact CG-CG2 3.74Å
97S98.4Very high97.6Very high1 Ų133 Ų331%0.00716%0.164CC..Hα-helixtrans-64.3-41177.660.20000112.7A93 R94 A99 A100 Q101 Q143A93-S97 PolarHBondContact O-N 3.45Å; A93-S97 PolarHBondContact O-OG 2.93Å; R94-S97 WeakPolarHBondContact CA-OG 3.49Å; R94-S97 PolarHBondContact O-N 2.98Å; R94-S97 PolarHBondContact O-OG 2.7Å; S97-A99 VanDerWaalsContact C-N 3.32Å; S97-A99 PolarHBondContact O-N 3.15Å; S97-A100 PolarHBondContact O-N 2.79Å; S97-Q101 WeakPolarHBondContact O-CG 3.46Å; S97-Q101 PolarHBondContact O-N 3.42Å; S97-Q143 WeakPolarHBondContact OG-CG 3.34Å
98D98.4Very high97.5Very high68 Ų6833.2 Ų33.236%0.36417%0.165SC..Hα-helixtrans-62.4-43.5176.7-64.5-7.3000110.2V65 R94 A100 Q101 I102V65-D98 HydrophobicContact CG1-CB 4.15Å; V65-D98 HydrophobicContact CG2-CB 3.94Å; R94-D98 PolarHBondContact O-N 3.18Å; D98-A100 PolarHBondContact O-N 2.82Å; D98-Q101 PolarHBondContact O-N 3Å; D98-I102 WeakPolarHBondContact O-CD1 3.37Å; D98-I102 VanDerWaalsContact O-CG1 3.31Å; D98-I102 WeakPolarHBondContact O-CG1 3.46Å; D98-I102 PolarHBondContact O-N 3.28Å; D98-I102 VanDerWaalsContact O-N 3.15Å
99A98.6Very high97.5Very high0 Ų033.2 Ų33.20%017%0.165CC..Hα-helixtrans-62.2-42.4175.300000112.1A61 F64 V65 F88 I95 L96 S97 I102 V103A61-A99 HydrophobicContact CB-CB 4.2Å; F64-A99 HydrophobicContact CD1-CB 4.16Å; V65-A99 HydrophobicContact CG2-CB 3.8Å; F88-A99 HydrophobicContact CD1-CB 4.34Å; F88-A99 HydrophobicContact CD2-CB 4.43Å; F88-A99 HydrophobicContact CE1-CB 3.91Å; F88-A99 HydrophobicContact CE2-CB 3.99Å; F88-A99 HydrophobicContact CZ-CB 3.72Å; I95-A99 WeakPolarHBondContact O-CB 3.41Å; I95-A99 PolarHBondContact O-N 3.47Å; L96-A99 PolarHBondContact O-N 2.91Å; S97-A99 VanDerWaalsContact C-N 3.32Å; S97-A99 PolarHBondContact O-N 3.15Å; A99-I102 PolarHBondContact O-N 3.38Å; A99-V103 PolarHBondContact O-N 3.33Å
100A98.5Very high97.5Very high0 Ų033.2 Ų33.20%017%0.165CC..Hα-helixtrans-63.2-42.5177.900000112.2L96 S97 D98 I102 V103 C104 I110 V144 V148 F153L96-A100 WeakPolarHBondContact O-CB 3.29Å; L96-A100 PolarHBondContact O-N 3.25Å; S97-A100 PolarHBondContact O-N 2.79Å; D98-A100 PolarHBondContact O-N 2.82Å; A100-I102 VanDerWaalsContact C-N 3.32Å; A100-I102 PolarHBondContact O-N 3.02Å; A100-V103 WeakPolarHBondContact O-CG2 3.16Å; A100-V103 PolarHBondContact O-N 3.11Å; A100-C104 WeakPolarHBondContact O-CB 3.31Å; A100-C104 PolarHBondContact O-N 3.01Å; A100-I110 HydrophobicContact CB-CG1 4.33Å; A100-I110 HydrophobicContact CB-CG2 4.01Å; A100-V144 HydrophobicContact CB-CG1 3.72Å; A100-V144 HydrophobicContact CB-CG2 4.2Å; A100-V148 HydrophobicContact CB-CG2 3.99Å; A100-F153 HydrophobicContact CB-CE1 4.28Å
101Q97.8Very high97.6Very high82 Ų8233 Ų3338%0.38316%0.164SC..Hα-helixtrans-61-40.9175.3-75-179.8-34.900111.8S97 D98 V103 Q147 V148S97-Q101 WeakPolarHBondContact O-CG 3.46Å; S97-Q101 PolarHBondContact O-N 3.42Å; D98-Q101 PolarHBondContact O-N 3Å; Q101-V103 PolarHBondContact O-N 3.39Å; Q101-Q147 PolarHBondContact NE2-O 3.25Å; Q101-V148 HydrophobicContact CG-CG2 4.19Å
102I97.1Very high97.6Very high51 Ų5130.3 Ų30.326%0.26215%0.149SC..Hα-helixtrans-62.3-40.5177.8-67.8162.5000111.7F64 V65 D98 A99 A100F64-I102 HydrophobicContact CE1-CB 3.97Å; F64-I102 HydrophobicContact CE1-CD1 4.42Å; F64-I102 HydrophobicContact CE1-CG2 3.55Å; F64-I102 HydrophobicContact CZ-CG2 3.99Å; V65-I102 HydrophobicContact CG2-CD1 4.25Å; D98-I102 WeakPolarHBondContact O-CD1 3.37Å; D98-I102 VanDerWaalsContact O-CG1 3.31Å; D98-I102 WeakPolarHBondContact O-CG1 3.46Å; D98-I102 PolarHBondContact O-N 3.28Å; D98-I102 VanDerWaalsContact O-N 3.15Å; A99-I102 PolarHBondContact O-N 3.38Å; A100-I102 VanDerWaalsContact C-N 3.32Å; A100-I102 PolarHBondContact O-N 3.02Å
103V97.1Very high97.6Very high1 Ų128.4 Ų28.41%0.00614%0.139CC..Hα-helixtrans-90-14.4-177-59.10000114.3F64 V86 F88 A99 A100 Q101 P105 Y106 A107 I110 F153F64-V103 HydrophobicContact CE1-CG1 3.66Å; F64-V103 HydrophobicContact CZ-CG1 3.49Å; F64-V103 VanDerWaalsContact CZ-CG1 3.49Å; V86-V103 HydrophobicContact CB-CG2 4.25Å; V86-V103 HydrophobicContact CG1-CG1 4.33Å; V86-V103 HydrophobicContact CG2-CB 4.03Å; V86-V103 HydrophobicContact CG2-CG1 4.18Å; V86-V103 HydrophobicContact CG2-CG2 4.12Å; F88-V103 HydrophobicContact CE2-CG2 4.1Å; F88-V103 HydrophobicContact CZ-CG1 4.02Å; F88-V103 HydrophobicContact CZ-CG2 4.37Å; A99-V103 PolarHBondContact O-N 3.33Å; A100-V103 WeakPolarHBondContact O-CG2 3.16Å; A100-V103 PolarHBondContact O-N 3.11Å; Q101-V103 PolarHBondContact O-N 3.39Å; V103-P105 VanDerWaalsContact C-CD 3.44Å; V103-P105 VanDerWaalsContact C-N 3.34Å; V103-Y106 CarbonylContact O-C 3.58Å; V103-Y106 PolarHBondContact O-N 3Å; V103-A107 PolarHBondContact O-N 3.46Å; V103-I110 HydrophobicContact CG2-CG2 3.7Å; V103-F153 HydrophobicContact CG2-CZ 4.22Å
104C96.1Very high97.6Very high22 Ų2227.6 Ų27.615%0.14913%0.133CC..THydrogen-bonded Turntrans-50.8-42.2-177.6177.30000114.7K15 A100 Y106 V148 F153K15-C104 PolarHBondContact NZ-O 2.98Å; A100-C104 WeakPolarHBondContact O-CB 3.31Å; A100-C104 PolarHBondContact O-N 3.01Å; C104-Y106 PolarHBondContact O-N 3.19Å; C104-V148 HydrophobicContact CB-CG1 4.21Å; C104-F153 HydrophobicContact CB-CD2 4.19Å; C104-F153 HydrophobicContact CB-CE2 4Å; C104-F153 HydrophobicContact CB-CZ 4.3Å
105P93.7Very high97.5Very high59 Ų5919.6 Ų19.638%0.38310%0.104SC..THydrogen-bonded Turntrans-61-35175.4-24.335.5000112.8K15 V103K15-P105 PolarHBondContact NZ-O 3.12Å; V103-P105 VanDerWaalsContact C-CD 3.44Å; V103-P105 VanDerWaalsContact C-N 3.34Å
106Y94.8Very high97.3Very high46 Ų4617.8 Ų17.818%0.1810%0.097CC..THydrogen-bonded Turntrans-102.7-7.6-166-49.2-71000115I6 F75 V103 C104I6-Y106 HydrophobicContact CB-CE1 3.81Å; I6-Y106 HydrophobicContact CG2-CD1 3.87Å; I6-Y106 HydrophobicContact CG2-CE1 3.41Å; I6-Y106 VanDerWaalsContact CG2-CE1 3.41Å; F75-Y106 HydrophobicContact CE1-CD2 4.35Å; F75-Y106 HydrophobicContact CE1-CG 4.36Å; V103-Y106 CarbonylContact O-C 3.58Å; V103-Y106 PolarHBondContact O-N 3Å; C104-Y106 PolarHBondContact O-N 3.19Å
107A96.1Very high97Very high0 Ų019 Ų190%011%0.105CC..  trans-135.4171.2-176.800000111.8K15 V86 V103K15-A107 PolarHBondContact NZ-O 3.22Å; V86-A107 HydrophobicContact CG2-CB 3.74Å; V103-A107 PolarHBondContact O-N 3.46Å
108N96.8Very high96.8Very high7 Ų723.1 Ų23.14%0.03712%0.124CC..SBendtrans-97.1-15.6177.4-60.976.4000112.2K15 K16 P18 P83 L84 I85 S154K15-N108 WeakPolarHBondContact CG-ND2 3.31Å; K16-N108 PolarHBondContact O-ND2 3.25Å; P18-N108 HydrophobicContact CG-CB 3.86Å; P83-N108 WeakPolarHBondContact CA-OD1 3.45Å; P83-N108 HydrophobicContact CB-CB 4.29Å; L84-N108 PolarHBondContact N-OD1 3.43Å; L84-N108 PolarHBondContact O-N 3.28Å; I85-N108 HydrophobicContact CD1-CB 4.43Å; N108-S154 PolarHBondContact O-N 3.15Å
109G97.9Very high96.6Very high0 Ų029.8 Ų29.80%014%0.143CC..EExtended strand (participates in β ladder)trans-178.4178.5178.100000112.8I85 V86 F153 S154I85-G109 WeakPolarHBondContact CA-O 3.47Å; V86-G109 PolarHBondContact N-O 3.22Å; G109-F153 VanDerWaalsContact C-CZ 3.49Å; G109-F153 VanDerWaalsContact CA-CE2 3.46Å; G109-F153 VanDerWaalsContact CA-CZ 3.49Å; G109-S154 CarbonylContact C-O 3.57Å; G109-S154 WeakPolarHBondContact CA-O 3.34Å
110I98.8Very high96.4Very high0 Ų035.2 Ų35.20%016%0.164CC..EExtended strand (participates in β ladder)trans-116.4158.3168.560.2109.9000111.2V86 F88 L96 A100 V103 I112 V144 F153 S154 V155 S156V86-I110 CarbonylContact O-C 3.39Å; V86-I110 VanDerWaalsContact O-CA 3.24Å; V86-I110 WeakPolarHBondContact O-CA 3.39Å; F88-I110 HydrophobicContact CD2-CB 4.16Å; F88-I110 HydrophobicContact CD2-CG2 3.91Å; F88-I110 HydrophobicContact CE2-CB 4.38Å; F88-I110 HydrophobicContact CE2-CG2 3.63Å; L96-I110 HydrophobicContact CD1-CD1 4.19Å; L96-I110 HydrophobicContact CD2-CD1 4.16Å; L96-I110 HydrophobicContact CG-CD1 4.31Å; A100-I110 HydrophobicContact CB-CG1 4.33Å; A100-I110 HydrophobicContact CB-CG2 4.01Å; V103-I110 HydrophobicContact CG2-CG2 3.7Å; I110-I112 HydrophobicContact CD1-CG1 4.25Å; I110-V144 HydrophobicContact CD1-CG1 4.38Å; I110-V144 HydrophobicContact CD1-CG2 4.27Å; I110-V144 HydrophobicContact CG1-CG1 4.21Å; I110-F153 HydrophobicContact CB-CE1 4.43Å; I110-F153 HydrophobicContact CG1-CE1 4.13Å; I110-F153 HydrophobicContact CG2-CE1 3.88Å; I110-F153 HydrophobicContact CG2-CZ 3.76Å; I110-S154 PolarHBondContact N-O 3.35Å; I110-V155 HydrophobicContact CD1-CG1 3.85Å; I110-V155 HydrophobicContact CD1-CG2 4.47Å; I110-V155 HydrophobicContact CG1-CG1 4.39Å; I110-V155 HydrophobicContact CG1-CG2 4.22Å; I110-V155 WeakPolarHBondContact O-CA 3.5Å; I110-S156 PolarHBondContact O-N 3.32Å
111D98.9Very high96.2Very high0 Ų035.2 Ų35.20%016%0.164CC..EExtended strand (participates in β ladder)trans-126.4139.7170.4-178.478.9000110.8Y55 I85 V86 Q87 F88 S156 I157 K158Y55-D111 HydrophobicContact CD1-CB 4.11Å; Y55-D111 HydrophobicContact CE1-CB 3.49Å; Y55-D111 VanDerWaalsContact CE1-CB 3.49Å; I85-D111 HydrophobicContact CG2-CB 3.7Å; V86-D111 PolarHBondContact O-N 3.11Å; Q87-D111 CarbonylContact C-O 3.47Å; Q87-D111 WeakPolarHBondContact CA-O 3.47Å; Q87-D111 HydrophobicContact CB-CB 4.26Å; Q87-D111 HydrophobicContact CG-CB 4.25Å; Q87-D111 WeakPolarHBondContact CG-OD2 3.33Å; Q87-D111 PolarHBondContact NE2-OD2 3.31Å; F88-D111 PolarHBondContact N-O 3.12Å; D111-S156 CarbonylContact C-O 3.55Å; D111-S156 VanDerWaalsContact CA-O 3.3Å; D111-S156 WeakPolarHBondContact CA-O 3.17Å; D111-S156 VanDerWaalsContact CB-OG 3.31Å; D111-S156 WeakPolarHBondContact CB-OG 3.4Å; D111-S156 VanDerWaalsContact OD1-C 3.23Å; D111-S156 WeakPolarHBondContact OD1-CB 3.23Å; D111-S156 PolarHBondContact OD1-OG 3.05Å; D111-I157 VanDerWaalsContact OD1-C 3.23Å; D111-I157 WeakPolarHBondContact OD1-CA 3.43Å; D111-I157 PolarHBondContact OD1-N 3.32Å; D111-K158 PolarHBondContact OD1-N 3.49Å
112I98.8Very high96.2Very high0 Ų034 Ų340%016%0.159CC..EExtended strand (participates in β ladder)trans-94.3120.8173-46.3177.5000108.8L96 I110 C114 L130 M140 V141 S156 I157 K158L96-I112 HydrophobicContact CD2-CD1 3.59Å; L96-I112 HydrophobicContact CD2-CG1 3.77Å; I110-I112 HydrophobicContact CD1-CG1 4.25Å; I112-C114 PolarHBondContact O-N 3.13Å; I112-L130 HydrophobicContact CG2-CD1 4.3Å; I112-M140 HydrophobicContact CD1-CB 3.93Å; I112-M140 HydrophobicContact CD1-CE 4.3Å; I112-M140 HydrophobicContact CG2-CE 3.87Å; I112-V141 HydrophobicContact CD1-CG2 3.82Å; I112-S156 PolarHBondContact N-O 3.25Å; I112-I157 HydrophobicContact CB-CG2 4.05Å; I112-I157 HydrophobicContact CD1-CG2 4.17Å; I112-I157 HydrophobicContact CG1-CG2 4.26Å; I112-K158 PolarHBondContact O-N 2.83Å; I112-K158 VanDerWaalsContact O-N 3.08Å
113N98.6Very high96.1Very high13 Ų1335.4 Ų35.47%0.0718%0.179CC..EExtended strand (participates in β ladder)trans-74.5100.5174-168.6-45.1000110.6M58 Q87 F88 G115 C116 G127M58-N113 HydrophobicContact CG-CB 4.26Å; M58-N113 HydrophobicContact SD-CB 4.09Å; M58-N113 PolarHBondContact SD-ND2 2.8Å; M58-N113 VanDerWaalsContact SD-ND2 3.36Å; Q87-N113 HydrophobicContact CG-CB 3.97Å; Q87-N113 PolarHBondContact OE1-ND2 2.64Å; F88-N113 PolarHBondContact O-N 2.89Å; N113-G115 PolarHBondContact OD1-N 2.84Å; N113-G115 VanDerWaalsContact OD1-N 3.08Å; N113-C116 VanDerWaalsContact OD1-CB 3.26Å; N113-C116 WeakPolarHBondContact OD1-CB 3.32Å; N113-C116 PolarHBondContact OD1-N 3.05Å; N113-G127 WeakPolarHBondContact O-CA 3.28Å; N113-G127 PolarHBondContact O-N 3.31Å
114C98.2Very high96.1Very high2 Ų240.9 Ų40.91%0.01420%0.204CC..EExtended strand (participates in β ladder)trans-107.919.4174.1-62.40000111.8I112 G127 L130 I131 K158 I159I112-C114 PolarHBondContact O-N 3.13Å; C114-G127 CarbonylContact C-O 3.54Å; C114-G127 WeakPolarHBondContact CA-O 3.43Å; C114-L130 HydrophobicContact CB-CB 4.12Å; C114-I131 HydrophobicContact CB-CG2 4.4Å; C114-I131 WeakPolarHBondContact O-CG2 3.27Å; C114-K158 CarbonylContact C-O 3.58Å; C114-K158 VanDerWaalsContact CA-O 3.24Å; C114-K158 WeakPolarHBondContact CA-O 3.4Å; C114-K158 WeakPolarHBondContact CB-O 3.41Å; C114-K158 PolarHBondContact N-O 3.45Å; C114-I159 HydrophobicContact CB-CG2 3.84Å
115G94.9Very high96.1Very high7 Ų740.4 Ų40.47%0.07220%0.203CC..  trans-134-9.3-167.600000115.9N113 P117 K158 R160N113-G115 PolarHBondContact OD1-N 2.84Å; N113-G115 VanDerWaalsContact OD1-N 3.08Å; G115-P117 WeakPolarHBondContact O-CD 3.47Å; G115-K158 PolarHBondContact N-O 2.89Å; G115-K158 VanDerWaalsContact N-O 3.1Å; G115-R160 WeakPolarHBondContact O-CD 3.47Å; G115-R160 PolarHBondContact O-NE 3.02Å
116C94.2Very high96.2Very high15 Ų1538.5 Ų38.510%0.10119%0.188CC..  trans-73.2118.2-179.4-1730000111.7M58 N113 Q118 A128M58-C116 HydrophobicContact SD-CB 4.38Å; N113-C116 VanDerWaalsContact OD1-CB 3.26Å; N113-C116 WeakPolarHBondContact OD1-CB 3.32Å; N113-C116 PolarHBondContact OD1-N 3.05Å; C116-Q118 VanDerWaalsContact C-N 3.28Å; C116-Q118 PolarHBondContact O-N 3.42Å; C116-A128 WeakPolarHBondContact O-CB 3.2Å; C116-A128 PolarHBondContact O-N 3.39Å
117P94.1Very high96.3Very high26 Ų2636.3 Ų36.317%0.16918%0.179CC..  trans-89.414.6-17938.1-37000112.9G115 R119 M122 I190G115-P117 WeakPolarHBondContact O-CD 3.47Å; P117-R119 PolarHBondContact O-N 2.69Å; P117-M122 WeakPolarHBondContact O-CE 3.31Å; P117-I190 HydrophobicContact CB-CG2 3.86Å
118Q93.9Very high96.2Very high87 Ų8736.3 Ų36.341%0.40718%0.179SC..  trans-69.7129.4-178.6-68.6-168.927.500110.1C116 W120 A121 M122C116-Q118 VanDerWaalsContact C-N 3.28Å; C116-Q118 PolarHBondContact O-N 3.42Å; Q118-W120 VanDerWaalsContact C-N 3.3Å; Q118-W120 PolarHBondContact O-N 2.87Å; Q118-A121 HydrophobicContact CB-CB 4.36Å; Q118-A121 PolarHBondContact O-N 2.71Å; Q118-M122 PolarHBondContact O-N 2.73Å
119R93.8Very high96.2Very high207 Ų20737.1 Ų37.178%0.78119%0.186SC*.Hα-helixtrans-55.4-42.7-173.5-69.6-176.6178.8172-0.9112.9P117 M122 A123P117-R119 PolarHBondContact O-N 2.69Å; R119-M122 PolarHBondContact O-N 2.78Å; R119-A123 WeakPolarHBondContact O-CB 3.43Å; R119-A123 PolarHBondContact O-N 2.89Å
120W95.4Very high96.2Very high115 Ų11537.1 Ų37.144%0.43619%0.186SC..Hα-helixtrans-63.4-42178.372.3-96.3000111.5M58 Q118 M122 A123 E124M58-W120 HydrophobicContact CE-CH2 3.58Å; M58-W120 HydrophobicContact CE-CZ2 3.69Å; Q118-W120 VanDerWaalsContact C-N 3.3Å; Q118-W120 PolarHBondContact O-N 2.87Å; W120-M122 PolarHBondContact O-N 3.01Å; W120-A123 PolarHBondContact O-N 3.29Å; W120-E124 WeakPolarHBondContact O-CG 3.21Å; W120-E124 PolarHBondContact O-N 2.59Å; W120-E124 VanDerWaalsContact O-N 3.11Å
121A94.3Very high96.2Very high0 Ų037.4 Ų37.40%019%0.187CC..Hα-helixtrans-65.3-44.1-179.300000110.5Q118 E124 G125 Y126Q118-A121 HydrophobicContact CB-CB 4.36Å; Q118-A121 PolarHBondContact O-N 2.71Å; A121-E124 PolarHBondContact O-N 3.06Å; A121-G125 PolarHBondContact O-N 3.12Å; A121-Y126 CarbonylContact C-O 3.58Å; A121-Y126 WeakPolarHBondContact O-CA 3.25Å; A121-Y126 WeakPolarHBondContact O-CB 3.5Å; A121-Y126 PolarHBondContact O-N 3.23Å
122M96.1Very high96.1Very high55 Ų5541.3 Ų41.327%0.27121%0.208SC..Hα-helixtrans-66.7-36.1177-64.5-170.9-59.400112.8P117 Q118 R119 W120 E124 G125 Y126 A128 C129 I190P117-M122 WeakPolarHBondContact O-CE 3.31Å; Q118-M122 PolarHBondContact O-N 2.73Å; R119-M122 PolarHBondContact O-N 2.78Å; W120-M122 PolarHBondContact O-N 3.01Å; M122-E124 VanDerWaalsContact C-N 3.3Å; M122-E124 PolarHBondContact O-N 3.41Å; M122-G125 PolarHBondContact O-N 3.34Å; M122-Y126 WeakPolarHBondContact CA-O 3.32Å; M122-Y126 PolarHBondContact N-O 2.71Å; M122-A128 HydrophobicContact SD-CB 4.19Å; M122-C129 HydrophobicContact CB-CB 4.44Å; M122-C129 HydrophobicContact CG-CB 4.47Å; M122-I190 HydrophobicContact SD-CG2 4.3Å
123A96.1Very high96Very high82 Ų8245.7 Ų45.768%0.67823%0.227SC*.Hα-helixtrans-63.2-36.6175.900000112.1R119 W120 G125R119-A123 WeakPolarHBondContact O-CB 3.43Å; R119-A123 PolarHBondContact O-N 2.89Å; W120-A123 PolarHBondContact O-N 3.29Å; A123-G125 PolarHBondContact O-N 3.04Å
124E96.2Very high95.8Very high116 Ų11646 Ų4654%0.54223%0.229SC..THydrogen-bonded Turntrans-79.41173.5-63.3-61137.300113.2N91 W120 A121 M122 Y126N91-E124 PolarHBondContact ND2-O 2.82Å; W120-E124 WeakPolarHBondContact O-CG 3.21Å; W120-E124 PolarHBondContact O-N 2.59Å; W120-E124 VanDerWaalsContact O-N 3.11Å; A121-E124 PolarHBondContact O-N 3.06Å; M122-E124 VanDerWaalsContact C-N 3.3Å; M122-E124 PolarHBondContact O-N 3.41Å; E124-Y126 HydrophobicContact CB-CD2 3.57Å; E124-Y126 HydrophobicContact CB-CE2 3.42Å; E124-Y126 VanDerWaalsContact CB-CE2 3.42Å; E124-Y126 HydrophobicContact CB-CG 4.46Å; E124-Y126 HydrophobicContact CG-CE2 4.29Å
125G96.5Very high95.8Very high11 Ų1151 Ų5111%0.11325%0.253CS..THydrogen-bonded Turntrans8117.2179.400000115.1A121 M122 A123 C129 L130A121-G125 PolarHBondContact O-N 3.12Å; M122-G125 PolarHBondContact O-N 3.34Å; A123-G125 PolarHBondContact O-N 3.04Å; G125-C129 PolarHBondContact O-SG 3.31Å; G125-L130 WeakPolarHBondContact O-CD2 3.43Å
126Y95.9Very high95.9Very high19 Ų1952.8 Ų52.88%0.07526%0.26CS..  trans-102.2169175.1-47.6-51.5000112.6V60 A89 A90 N91 A121 M122 E124 C129V60-Y126 HydrophobicContact CG1-CE2 4.35Å; A89-Y126 HydrophobicContact CB-CD1 4.31Å; A89-Y126 HydrophobicContact CB-CD2 4.18Å; A89-Y126 HydrophobicContact CB-CG 3.91Å; A90-Y126 VanDerWaalsContact C-CD1 3.45Å; N91-Y126 HydrophobicContact CB-CD1 3.9Å; N91-Y126 HydrophobicContact CB-CE1 3.79Å; A121-Y126 CarbonylContact C-O 3.58Å; A121-Y126 WeakPolarHBondContact O-CA 3.25Å; A121-Y126 WeakPolarHBondContact O-CB 3.5Å; A121-Y126 PolarHBondContact O-N 3.23Å; M122-Y126 WeakPolarHBondContact CA-O 3.32Å; M122-Y126 PolarHBondContact N-O 2.71Å; E124-Y126 HydrophobicContact CB-CD2 3.57Å; E124-Y126 HydrophobicContact CB-CE2 3.42Å; E124-Y126 VanDerWaalsContact CB-CE2 3.42Å; E124-Y126 HydrophobicContact CB-CG 4.46Å; E124-Y126 HydrophobicContact CG-CE2 4.29Å; Y126-C129 PolarHBondContact O-SG 3.08Å
127G96.1Very high96.1Very high0 Ų052.3 Ų52.30%026%0.257CS..G310 helixtrans73.6-140.8168.900000112N113 C114 C129 L130N113-G127 WeakPolarHBondContact O-CA 3.28Å; N113-G127 PolarHBondContact O-N 3.31Å; C114-G127 CarbonylContact C-O 3.54Å; C114-G127 WeakPolarHBondContact CA-O 3.43Å; G127-C129 PolarHBondContact O-N 2.87Å; G127-L130 WeakPolarHBondContact O-CB 3.37Å; G127-L130 WeakPolarHBondContact O-CG 3.37Å; G127-L130 PolarHBondContact O-N 3.07Å
128A95.9Very high96.2Very high0 Ų053 Ų530%026%0.258CS..G310 helixtrans-67.2-9.7-168.300000114.5C116 M122 L130 I131 I190C116-A128 WeakPolarHBondContact O-CB 3.2Å; C116-A128 PolarHBondContact O-N 3.39Å; M122-A128 HydrophobicContact SD-CB 4.19Å; A128-L130 PolarHBondContact O-N 3.28Å; A128-I131 VanDerWaalsContact O-CG1 3.24Å; A128-I131 WeakPolarHBondContact O-CG1 3.26Å; A128-I190 HydrophobicContact CB-CD1 3.57Å; A128-I190 HydrophobicContact CB-CG1 3.77Å; A128-I190 HydrophobicContact CB-CG2 4.44Å; A128-I190 WeakPolarHBondContact O-CD1 3.46Å
129C96.6Very high96.4Very high25 Ų2552.9 Ų52.917%0.16926%0.26CS..G310 helixtrans-70.1-21.6170.665.80000112.7M122 G125 Y126 G127 I131 N132M122-C129 HydrophobicContact CB-CB 4.44Å; M122-C129 HydrophobicContact CG-CB 4.47Å; G125-C129 PolarHBondContact O-SG 3.31Å; Y126-C129 PolarHBondContact O-SG 3.08Å; G127-C129 PolarHBondContact O-N 2.87Å; C129-I131 VanDerWaalsContact C-N 3.3Å; C129-I131 PolarHBondContact O-N 3.32Å; C129-N132 PolarHBondContact O-N 2.98Å
130L97.9Very high96.6Very high0 Ų043 Ų430%022%0.223CC..G310 helixtrans-70.3-21.8-176-66.8174.4000113.7I112 C114 G125 G127 A128 N132 K133 L136 V137 M140I112-L130 HydrophobicContact CG2-CD1 4.3Å; C114-L130 HydrophobicContact CB-CB 4.12Å; G125-L130 WeakPolarHBondContact O-CD2 3.43Å; G127-L130 WeakPolarHBondContact O-CB 3.37Å; G127-L130 WeakPolarHBondContact O-CG 3.37Å; G127-L130 PolarHBondContact O-N 3.07Å; A128-L130 PolarHBondContact O-N 3.28Å; L130-N132 PolarHBondContact O-N 3.48Å; L130-N132 VanDerWaalsContact O-N 3.15Å; L130-K133 CarbonylContact O-C 3.57Å; L130-K133 PolarHBondContact O-N 3.11Å; L130-L136 HydrophobicContact CD2-CD2 3.89Å; L130-V137 HydrophobicContact CB-CG2 4.13Å; L130-M140 HydrophobicContact CD1-CE 4.27Å; L130-M140 HydrophobicContact CD2-CE 4.45Å
131I97.4Very high96.8Very high5 Ų537.6 Ų37.63%0.02620%0.202CC..G310 helixtrans-63-19.7174.268.1-175.1000112.5C114 A128 C129 I159 H162 L171 I190C114-I131 HydrophobicContact CB-CG2 4.4Å; C114-I131 WeakPolarHBondContact O-CG2 3.27Å; A128-I131 VanDerWaalsContact O-CG1 3.24Å; A128-I131 WeakPolarHBondContact O-CG1 3.26Å; C129-I131 VanDerWaalsContact C-N 3.3Å; C129-I131 PolarHBondContact O-N 3.32Å; I131-I159 HydrophobicContact CG2-CB 4.2Å; I131-I159 HydrophobicContact CG2-CG2 4.3Å; I131-H162 WeakPolarHBondContact CD1-CD2 3.24Å; I131-H162 WeakPolarHBondContact CD1-NE2 3.14Å; I131-H162 WeakPolarHBondContact CG1-NE2 3.37Å; I131-H162 PolarHBondContact O-CE1 3.09Å; I131-H162 PolarHBondContact O-NE2 3.49Å; I131-L171 HydrophobicContact CB-CD2 3.82Å; I131-L171 HydrophobicContact CG2-CD2 4.05Å; I131-I190 HydrophobicContact CD1-CD1 3.78Å; I131-I190 HydrophobicContact CD1-CG1 4.15Å
132N97.3Very high97Very high82 Ų8242.1 Ų42.144%0.43922%0.222SC..G310 helixtrans-95.45.7174.3-60.2-69.9000113.1C129 L130 P134 R167C129-N132 PolarHBondContact O-N 2.98Å; L130-N132 PolarHBondContact O-N 3.48Å; L130-N132 VanDerWaalsContact O-N 3.15Å; N132-P134 VanDerWaalsContact C-CD 3.43Å; N132-R167 PolarHBondContact OD1-NH2 3.24Å
133K96.9Very high97.1Very high93 Ų9342.1 Ų42.140%0.40422%0.221SC..  trans-129.857.9-179.2-59.4-176.8179.6-1800110.9L130 E135 L136 V137L130-K133 CarbonylContact O-C 3.57Å; L130-K133 PolarHBondContact O-N 3.11Å; K133-E135 PolarHBondContact O-N 3.49Å; K133-L136 HydrophobicContact CB-CB 4.07Å; K133-L136 HydrophobicContact CD-CD2 4.1Å; K133-L136 PolarHBondContact O-N 3.38Å; K133-L136 VanDerWaalsContact O-N 3.13Å; K133-V137 PolarHBondContact O-N 2.9Å
134P95.3Very high97.2Very high18 Ų1838.2 Ų38.212%0.11719%0.189CC..Hα-helixtrans-56.4-38.9-17520.1-28.9000112.2N132 L136 V137 Q138 L171 K174N132-P134 VanDerWaalsContact C-CD 3.43Å; P134-L136 VanDerWaalsContact C-N 3.33Å; P134-L136 PolarHBondContact O-N 2.93Å; P134-V137 PolarHBondContact O-N 3.08Å; P134-V137 VanDerWaalsContact O-N 3.16Å; P134-Q138 VanDerWaalsContact O-CG 3.28Å; P134-Q138 WeakPolarHBondContact O-CG 3.47Å; P134-Q138 PolarHBondContact O-N 3.1Å; P134-L171 HydrophobicContact CB-CD1 3.82Å; P134-K174 HydrophobicContact CB-CD 4.22Å
135E96.3Very high97.1Very high108 Ų10836.9 Ų36.951%0.50518%0.179SC..Hα-helixtrans-60-42.5179.4-62.170.8-152.600111.7K133 V137 Q138 D139K133-E135 PolarHBondContact O-N 3.49Å; E135-V137 PolarHBondContact O-N 2.87Å; E135-Q138 WeakPolarHBondContact O-CB 3.36Å; E135-Q138 PolarHBondContact O-N 2.89Å; E135-D139 PolarHBondContact O-N 3.34Å
136L97.6Very high97.1Very high45 Ų4542.3 Ų42.324%0.23621%0.205CC..Hα-helixtrans-65.7-40.3176.8178.659.7000111.8L130 K133 P134 Q138 D139 M140L130-L136 HydrophobicContact CD2-CD2 3.89Å; K133-L136 HydrophobicContact CB-CB 4.07Å; K133-L136 HydrophobicContact CD-CD2 4.1Å; K133-L136 PolarHBondContact O-N 3.38Å; K133-L136 VanDerWaalsContact O-N 3.13Å; P134-L136 VanDerWaalsContact C-N 3.33Å; P134-L136 PolarHBondContact O-N 2.93Å; L136-Q138 VanDerWaalsContact C-N 3.3Å; L136-D139 PolarHBondContact O-N 3.16Å; L136-M140 HydrophobicContact CG-CE 4.3Å; L136-M140 WeakPolarHBondContact O-CG 3.43Å; L136-M140 PolarHBondContact O-N 2.96Å
137V97.9Very high97.1Very high4 Ų445.3 Ų45.32%0.02422%0.22CC..Hα-helixtrans-62.9-41.3175.31780000110.2L130 K133 P134 E135 M140 V141 I157L130-V137 HydrophobicContact CB-CG2 4.13Å; K133-V137 PolarHBondContact O-N 2.9Å; P134-V137 PolarHBondContact O-N 3.08Å; P134-V137 VanDerWaalsContact O-N 3.16Å; E135-V137 PolarHBondContact O-N 2.87Å; V137-M140 HydrophobicContact CG2-CE 4.3Å; V137-M140 PolarHBondContact O-N 3.36Å; V137-V141 HydrophobicContact CG1-CG2 4.47Å; V137-V141 VanDerWaalsContact O-CG2 3.29Å; V137-V141 WeakPolarHBondContact O-CG2 3.35Å; V137-V141 PolarHBondContact O-N 3.32Å; V137-I157 HydrophobicContact CG1-CG2 4.11Å
138Q97.5Very high97Very high40 Ų4046 Ų4619%0.18722%0.224CC..Hα-helixtrans-61.3-47.9176-65.9-179.512.600111.6P134 E135 L136 M140 V141 K142 T178P134-Q138 VanDerWaalsContact O-CG 3.28Å; P134-Q138 WeakPolarHBondContact O-CG 3.47Å; P134-Q138 PolarHBondContact O-N 3.1Å; E135-Q138 WeakPolarHBondContact O-CB 3.36Å; E135-Q138 PolarHBondContact O-N 2.89Å; L136-Q138 VanDerWaalsContact C-N 3.3Å; Q138-M140 VanDerWaalsContact C-N 3.3Å; Q138-M140 PolarHBondContact O-N 3.19Å; Q138-V141 PolarHBondContact O-N 2.98Å; Q138-K142 WeakPolarHBondContact O-CG 3.39Å; Q138-K142 PolarHBondContact O-N 3.45Å; Q138-T178 HydrophobicContact CB-CG2 3.99Å; Q138-T178 HydrophobicContact CG-CG2 4.37Å; Q138-T178 VanDerWaalsContact CG-OG1 3.25Å; Q138-T178 WeakPolarHBondContact CG-OG1 3.4Å; Q138-T178 WeakPolarHBondContact O-CG2 3.19Å
139D98.1Very high96.8Very high86 Ų8655.3 Ų55.346%0.4627%0.268SS..Hα-helixtrans-59.4-43179.7-71.7-16.1000111.5A93 E135 L136 Q143A93-D139 HydrophobicContact CB-CB 4.43Å; E135-D139 PolarHBondContact O-N 3.34Å; L136-D139 PolarHBondContact O-N 3.16Å; D139-Q143 VanDerWaalsContact O-CB 3.3Å; D139-Q143 WeakPolarHBondContact O-CB 3.39Å; D139-Q143 PolarHBondContact O-N 2.86Å
140M98.5Very high96.5Very high0 Ų056.6 Ų56.60%027%0.273CS..Hα-helixtrans-59.6-46.9174.4-76.9-166.1-64.600112.4A90 A93 L96 I112 L130 L136 V137 Q138 V144A90-M140 HydrophobicContact CB-SD 4.03Å; A93-M140 HydrophobicContact CB-CG 4.19Å; L96-M140 HydrophobicContact CD2-CB 3.71Å; L96-M140 HydrophobicContact CD2-CG 4.19Å; L96-M140 HydrophobicContact CD2-SD 4.14Å; I112-M140 HydrophobicContact CD1-CB 3.93Å; I112-M140 HydrophobicContact CD1-CE 4.3Å; I112-M140 HydrophobicContact CG2-CE 3.87Å; L130-M140 HydrophobicContact CD1-CE 4.27Å; L130-M140 HydrophobicContact CD2-CE 4.45Å; L136-M140 HydrophobicContact CG-CE 4.3Å; L136-M140 WeakPolarHBondContact O-CG 3.43Å; L136-M140 PolarHBondContact O-N 2.96Å; V137-M140 HydrophobicContact CG2-CE 4.3Å; V137-M140 PolarHBondContact O-N 3.36Å; Q138-M140 VanDerWaalsContact C-N 3.3Å; Q138-M140 PolarHBondContact O-N 3.19Å; M140-V144 WeakPolarHBondContact O-CG2 3.24Å; M140-V144 PolarHBondContact O-N 3.28Å; M140-V144 VanDerWaalsContact O-N 3.16Å
141V98.3Very high96.1Very high1 Ų162.2 Ų62.21%0.00631%0.31CS..Hα-helixtrans-65.7-46.9179.7173.50000111.1I112 V137 Q138 Q143 V144 R145 V155 T178 V180I112-V141 HydrophobicContact CD1-CG2 3.82Å; V137-V141 HydrophobicContact CG1-CG2 4.47Å; V137-V141 VanDerWaalsContact O-CG2 3.29Å; V137-V141 WeakPolarHBondContact O-CG2 3.35Å; V137-V141 PolarHBondContact O-N 3.32Å; Q138-V141 PolarHBondContact O-N 2.98Å; V141-Q143 VanDerWaalsContact C-N 3.33Å; V141-Q143 PolarHBondContact O-N 3.43Å; V141-V144 PolarHBondContact O-N 2.92Å; V141-R145 HydrophobicContact CG1-CG 4.4Å; V141-R145 WeakPolarHBondContact O-CG 3.15Å; V141-R145 PolarHBondContact O-N 3.49Å; V141-V155 HydrophobicContact CB-CG1 4.48Å; V141-V155 HydrophobicContact CG1-CG1 4.16Å; V141-V155 HydrophobicContact CG2-CG1 4.09Å; V141-T178 HydrophobicContact CB-CG2 3.88Å; V141-T178 HydrophobicContact CG1-CG2 3.87Å; V141-V180 HydrophobicContact CB-CG1 4.36Å; V141-V180 HydrophobicContact CG1-CG1 3.85Å; V141-V180 HydrophobicContact CG2-CG1 3.62Å
142K97.8Very high95.8Very high94 Ų9468.6 Ų68.641%0.40933%0.334SS..Hα-helixtrans-58.1-46.2177.9-71.5177.1-175.4165.10111.3Q138 V144 R145 N146 T178Q138-K142 WeakPolarHBondContact O-CG 3.39Å; Q138-K142 PolarHBondContact O-N 3.45Å; K142-V144 PolarHBondContact O-N 3.04Å; K142-R145 PolarHBondContact O-N 3.4Å; K142-N146 WeakPolarHBondContact O-CB 3.39Å; K142-N146 PolarHBondContact O-N 3.31Å; K142-N146 PolarHBondContact O-ND2 3.45Å; K142-T178 HydrophobicContact CD-CG2 4.2Å; K142-T178 HydrophobicContact CG-CG2 3.47Å; K142-T178 VanDerWaalsContact CG-CG2 3.47Å
143Q98.1Very high95.7Very high56 Ų5664.9 Ų64.926%0.26231%0.313SS..Hα-helixtrans-63.2-43.3-178-172.466.719.300111.5A93 S97 D139 V141 N146 Q147A93-Q143 HydrophobicContact CB-CB 3.8Å; A93-Q143 HydrophobicContact CB-CG 4.15Å; A93-Q143 WeakPolarHBondContact O-CG 3.37Å; S97-Q143 WeakPolarHBondContact OG-CG 3.34Å; D139-Q143 VanDerWaalsContact O-CB 3.3Å; D139-Q143 WeakPolarHBondContact O-CB 3.39Å; D139-Q143 PolarHBondContact O-N 2.86Å; V141-Q143 VanDerWaalsContact C-N 3.33Å; V141-Q143 PolarHBondContact O-N 3.43Å; Q143-N146 PolarHBondContact O-N 2.92Å; Q143-Q147 HydrophobicContact CG-CG 4.48Å; Q143-Q147 WeakPolarHBondContact O-CB 3.2Å; Q143-Q147 VanDerWaalsContact O-CG 3.24Å; Q143-Q147 WeakPolarHBondContact O-CG 3.48Å; Q143-Q147 PolarHBondContact O-N 3.06Å; Q143-Q147 VanDerWaalsContact O-N 3.12Å
144V98.2Very high95.8Very high0 Ų060.6 Ų60.60%030%0.295CS..Hα-helixtrans-62-46.8175.6175.40000111.1L96 A100 I110 M140 V141 K142 N146 Q147 V148 V155L96-V144 HydrophobicContact CB-CG2 4.41Å; L96-V144 HydrophobicContact CD2-CG2 3.77Å; L96-V144 HydrophobicContact CG-CG2 3.74Å; A100-V144 HydrophobicContact CB-CG1 3.72Å; A100-V144 HydrophobicContact CB-CG2 4.2Å; I110-V144 HydrophobicContact CD1-CG1 4.38Å; I110-V144 HydrophobicContact CD1-CG2 4.27Å; I110-V144 HydrophobicContact CG1-CG1 4.21Å; M140-V144 WeakPolarHBondContact O-CG2 3.24Å; M140-V144 PolarHBondContact O-N 3.28Å; M140-V144 VanDerWaalsContact O-N 3.16Å; V141-V144 PolarHBondContact O-N 2.92Å; K142-V144 PolarHBondContact O-N 3.04Å; V144-N146 VanDerWaalsContact C-N 3.28Å; V144-N146 PolarHBondContact O-N 3.49Å; V144-Q147 PolarHBondContact O-N 3.03Å; V144-V148 HydrophobicContact CG1-CG2 4.07Å; V144-V148 PolarHBondContact O-N 2.77Å; V144-V155 HydrophobicContact CB-CG2 4.2Å; V144-V155 HydrophobicContact CG1-CG2 3.51Å
145R95.8Very high95.9Very high87 Ų8759.8 Ų59.833%0.32829%0.29SS..Hα-helixtrans-60.8-36.2179-72-62.2-159.9178.48.6113V141 K142 F153 G179 S181V141-R145 HydrophobicContact CG1-CG 4.4Å; V141-R145 WeakPolarHBondContact O-CG 3.15Å; V141-R145 PolarHBondContact O-N 3.49Å; K142-R145 PolarHBondContact O-N 3.4Å; R145-F153 PolarHBondContact NH1-O 3.42Å; R145-G179 VanDerWaalsContact CZ-O 3.3Å; R145-G179 PolarHBondContact NE-O 3.4Å; R145-G179 PolarHBondContact NH2-O 3.36Å; R145-S181 PolarHBondContact NH2-OG 3.18Å
146N95.7Very high96.1Very high125 Ų12554.7 Ų54.767%0.66827%0.266SS*.Hα-helixtrans-75.2-27.8179.1-69.7-18.4000113.2K142 Q143 V144K142-N146 WeakPolarHBondContact O-CB 3.39Å; K142-N146 PolarHBondContact O-N 3.31Å; K142-N146 PolarHBondContact O-ND2 3.45Å; Q143-N146 PolarHBondContact O-N 2.92Å; V144-N146 VanDerWaalsContact C-N 3.28Å; V144-N146 PolarHBondContact O-N 3.49Å
147Q95.4Very high96.1Very high82 Ų8252.5 Ų52.538%0.38326%0.255SS..Hα-helixtrans-100.5-22.5-172.1-68.2-63.8-25.700114Q101 Q143 V144Q101-Q147 PolarHBondContact NE2-O 3.25Å; Q143-Q147 HydrophobicContact CG-CG 4.48Å; Q143-Q147 WeakPolarHBondContact O-CB 3.2Å; Q143-Q147 VanDerWaalsContact O-CG 3.24Å; Q143-Q147 WeakPolarHBondContact O-CG 3.48Å; Q143-Q147 PolarHBondContact O-N 3.06Å; Q143-Q147 VanDerWaalsContact O-N 3.12Å; V144-Q147 PolarHBondContact O-N 3.03Å
148V94.9Very high96.2Very high15 Ų1553.4 Ų53.49%0.09126%0.258CS..  trans-95.1108.2177.8179.60000109.6A100 Q101 C104 V144 N150 F153A100-V148 HydrophobicContact CB-CG2 3.99Å; Q101-V148 HydrophobicContact CG-CG2 4.19Å; C104-V148 HydrophobicContact CB-CG1 4.21Å; V144-V148 HydrophobicContact CG1-CG2 4.07Å; V144-V148 PolarHBondContact O-N 2.77Å; V148-N150 VanDerWaalsContact C-N 3.25Å; V148-N150 HydrophobicContact CG1-CB 4.37Å; V148-N150 PolarHBondContact O-N 3.35Å; V148-F153 HydrophobicContact CB-CD1 4.33Å; V148-F153 HydrophobicContact CG1-CB 3.73Å; V148-F153 HydrophobicContact CG1-CD1 3.72Å; V148-F153 HydrophobicContact CG1-CE1 4.47Å; V148-F153 HydrophobicContact CG1-CG 3.77Å; V148-F153 HydrophobicContact CG2-CD1 4.34Å
149E90.7Very high96.2Very high195 Ų19551.5 Ų51.591%0.91125%0.249SC*.  trans-67.8-20.2-174.5-62.5-17917100114.4P151E149-P151 WeakPolarHBondContact O-CD 3.33Å
150N91.9Very high96.2Very high53 Ų5348.7 Ų48.728%0.28323%0.232SC..  trans-75.7110.2-179.4175.69.8000110.6V148 R152 F153V148-N150 VanDerWaalsContact C-N 3.25Å; V148-N150 HydrophobicContact CG1-CB 4.37Å; V148-N150 PolarHBondContact O-N 3.35Å; N150-R152 PolarHBondContact O-N 3.24Å; N150-R152 VanDerWaalsContact O-N 3.17Å; N150-R152 PolarHBondContact OD1-N 3.29Å; N150-F153 HydrophobicContact CB-CB 4.08Å; N150-F153 VanDerWaalsContact O-CB 3.24Å; N150-F153 WeakPolarHBondContact O-CB 3.31Å; N150-F153 PolarHBondContact O-N 2.66Å
151P88.5Confident96.2Very high118 Ų11849 Ų4977%0.76623%0.234SC*.THydrogen-bonded Turntrans-67.2-20.7-176.529-36.2000113.1E149 F153E149-P151 WeakPolarHBondContact O-CD 3.33Å; P151-F153 VanDerWaalsContact C-N 3.31Å
152R91.3Very high96.2Very high139 Ų13949.9 Ų49.953%0.52524%0.238SC..THydrogen-bonded Turntrans-84.5-4.9175.5-62.2-166.1-68.5-178.3-1.8113.1N150 S154N150-R152 PolarHBondContact O-N 3.24Å; N150-R152 VanDerWaalsContact O-N 3.17Å; N150-R152 PolarHBondContact OD1-N 3.29Å; R152-S154 PolarHBondContact O-N 3.21Å
153F95.9Very high96.1Very high4 Ų452.3 Ų52.32%0.01826%0.255CS..  trans-73.7116.2177.6-165.4-102.1000110A100 V103 C104 G109 I110 R145 V148 N150 P151A100-F153 HydrophobicContact CB-CE1 4.28Å; V103-F153 HydrophobicContact CG2-CZ 4.22Å; C104-F153 HydrophobicContact CB-CD2 4.19Å; C104-F153 HydrophobicContact CB-CE2 4Å; C104-F153 HydrophobicContact CB-CZ 4.3Å; G109-F153 VanDerWaalsContact C-CZ 3.49Å; G109-F153 VanDerWaalsContact CA-CE2 3.46Å; G109-F153 VanDerWaalsContact CA-CZ 3.49Å; I110-F153 HydrophobicContact CB-CE1 4.43Å; I110-F153 HydrophobicContact CG1-CE1 4.13Å; I110-F153 HydrophobicContact CG2-CE1 3.88Å; I110-F153 HydrophobicContact CG2-CZ 3.76Å; R145-F153 PolarHBondContact NH1-O 3.42Å; V148-F153 HydrophobicContact CB-CD1 4.33Å; V148-F153 HydrophobicContact CG1-CB 3.73Å; V148-F153 HydrophobicContact CG1-CD1 3.72Å; V148-F153 HydrophobicContact CG1-CE1 4.47Å; V148-F153 HydrophobicContact CG1-CG 3.77Å; V148-F153 HydrophobicContact CG2-CD1 4.34Å; N150-F153 HydrophobicContact CB-CB 4.08Å; N150-F153 VanDerWaalsContact O-CB 3.24Å; N150-F153 WeakPolarHBondContact O-CB 3.31Å; N150-F153 PolarHBondContact O-N 2.66Å; P151-F153 VanDerWaalsContact C-N 3.31Å
154S97.7Very high96.1Very high3 Ų353.3 Ų53.32%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-84150.5-175.3-62.60000112.7N108 G109 I110 R152 S181N108-S154 PolarHBondContact O-N 3.15Å; G109-S154 CarbonylContact C-O 3.57Å; G109-S154 WeakPolarHBondContact CA-O 3.34Å; I110-S154 PolarHBondContact N-O 3.35Å; R152-S154 PolarHBondContact O-N 3.21Å; S154-S181 WeakPolarHBondContact CA-OG 3.31Å
155V98.5Very high96.1Very high1 Ų155.2 Ų55.21%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-128.8112.7172.3-1800000107.7I110 V141 V144 V180 S181I110-V155 HydrophobicContact CD1-CG1 3.85Å; I110-V155 HydrophobicContact CD1-CG2 4.47Å; I110-V155 HydrophobicContact CG1-CG1 4.39Å; I110-V155 HydrophobicContact CG1-CG2 4.22Å; I110-V155 WeakPolarHBondContact O-CA 3.5Å; V141-V155 HydrophobicContact CB-CG1 4.48Å; V141-V155 HydrophobicContact CG1-CG1 4.16Å; V141-V155 HydrophobicContact CG2-CG1 4.09Å; V144-V155 HydrophobicContact CB-CG2 4.2Å; V144-V155 HydrophobicContact CG1-CG2 3.51Å; V155-V180 CarbonylContact O-C 3.54Å; V155-V180 WeakPolarHBondContact O-CA 3.39Å; V155-S181 PolarHBondContact N-OG 3.49Å; V155-S181 PolarHBondContact O-N 3.2Å; V155-S181 PolarHBondContact O-OG 3.5Å
156S98.8Very high96.2Very high0 Ų055.3 Ų55.30%028%0.283CS..EExtended strand (participates in β ladder)trans-113.7167.4177.2690000112.3Y55 I110 D111 I112 W182Y55-S156 PolarHBondContact OH-OG 3.39Å; I110-S156 PolarHBondContact O-N 3.32Å; D111-S156 CarbonylContact C-O 3.55Å; D111-S156 VanDerWaalsContact CA-O 3.3Å; D111-S156 WeakPolarHBondContact CA-O 3.17Å; D111-S156 VanDerWaalsContact CB-OG 3.31Å; D111-S156 WeakPolarHBondContact CB-OG 3.4Å; D111-S156 VanDerWaalsContact OD1-C 3.23Å; D111-S156 WeakPolarHBondContact OD1-CB 3.23Å; D111-S156 PolarHBondContact OD1-OG 3.05Å; I112-S156 PolarHBondContact N-O 3.25Å; S156-W182 WeakPolarHBondContact CA-O 3.31Å; S156-W182 WeakPolarHBondContact CB-O 3.3Å; S156-W182 WeakPolarHBondContact OG-CZ2 3.33Å
157I98.8Very high96.3Very high0 Ų055 Ų550%027%0.273CS..EExtended strand (participates in β ladder)trans-127.7146.4168.464.1173000110.3D111 I112 V137 I159 A175 V180 W182 I183 T184D111-I157 VanDerWaalsContact OD1-C 3.23Å; D111-I157 WeakPolarHBondContact OD1-CA 3.43Å; D111-I157 PolarHBondContact OD1-N 3.32Å; I112-I157 HydrophobicContact CB-CG2 4.05Å; I112-I157 HydrophobicContact CD1-CG2 4.17Å; I112-I157 HydrophobicContact CG1-CG2 4.26Å; V137-I157 HydrophobicContact CG1-CG2 4.11Å; I157-I159 HydrophobicContact CD1-CG2 4Å; I157-I159 HydrophobicContact CG1-CG2 4.3Å; I157-A175 HydrophobicContact CD1-CB 3.63Å; I157-V180 HydrophobicContact CG2-CG1 4.1Å; I157-W182 PolarHBondContact N-O 2.65Å; I157-I183 HydrophobicContact CD1-CD1 4.42Å; I157-I183 HydrophobicContact CD1-CG1 4.21Å; I157-I183 HydrophobicContact CG1-CB 4.41Å; I157-I183 HydrophobicContact CG1-CG1 3.91Å; I157-I183 HydrophobicContact CG1-CG2 4.18Å; I157-T184 PolarHBondContact O-N 3.04Å
158K98.8Very high96.5Very high22 Ų2251.1 Ų51.110%0.09625%0.254CS..EExtended strand (participates in β ladder)trans-116118.6171.5-174.9177.1-164.8-52.10110.7P33 D111 I112 C114 G115 T184 N216 M238P33-K158 HydrophobicContact CG-CD 4.12Å; D111-K158 PolarHBondContact OD1-N 3.49Å; I112-K158 PolarHBondContact O-N 2.83Å; I112-K158 VanDerWaalsContact O-N 3.08Å; C114-K158 CarbonylContact C-O 3.58Å; C114-K158 VanDerWaalsContact CA-O 3.24Å; C114-K158 WeakPolarHBondContact CA-O 3.4Å; C114-K158 WeakPolarHBondContact CB-O 3.41Å; C114-K158 PolarHBondContact N-O 3.45Å; G115-K158 PolarHBondContact N-O 2.89Å; G115-K158 VanDerWaalsContact N-O 3.1Å; K158-T184 CarbonylContact C-O 3.53Å; K158-T184 WeakPolarHBondContact CA-O 3.43Å; K158-T184 HydrophobicContact CD-CG2 4.33Å; K158-T184 HydrophobicContact CG-CG2 4.03Å; K158-N216 WeakPolarHBondContact CE-OD1 3.33Å; K158-N216 PolarHBondContact NZ-OD1 3.37Å; K158-M238 HydrophobicContact CD-SD 3.97Å; K158-M238 WeakPolarHBondContact CE-SD 3.39Å
159I98.8Very high96.6Very high0 Ų052.1 Ų52.10%026%0.258CS..EExtended strand (participates in β ladder)trans-116.6168.4-173.966.5170.2000112.9C114 I131 I157 T168 L171 I183 T184 V185 H186C114-I159 HydrophobicContact CB-CG2 3.84Å; I131-I159 HydrophobicContact CG2-CB 4.2Å; I131-I159 HydrophobicContact CG2-CG2 4.3Å; I157-I159 HydrophobicContact CD1-CG2 4Å; I157-I159 HydrophobicContact CG1-CG2 4.3Å; I159-T168 HydrophobicContact CD1-CG2 3.93Å; I159-L171 HydrophobicContact CD1-CD2 4.45Å; I159-L171 HydrophobicContact CG2-CD2 4.3Å; I159-I183 HydrophobicContact CD1-CG2 4.08Å; I159-I183 HydrophobicContact CG1-CG2 4.1Å; I159-T184 PolarHBondContact N-O 3.4Å; I159-V185 HydrophobicContact CD1-CG2 4.2Å; I159-V185 HydrophobicContact CG1-CB 4.48Å; I159-V185 HydrophobicContact CG1-CG1 4.4Å; I159-V185 HydrophobicContact CG1-CG2 4.14Å; I159-H186 PolarHBondContact O-N 3.33Å
160R98.4Very high97Very high28 Ų2846 Ų4611%0.10623%0.232CC..EExtended strand (participates in β ladder)trans-109.9158.1156.6-85.2-174.2177.6-112.3-5.5108.8G115 H186 R188 T189 E192G115-R160 WeakPolarHBondContact O-CD 3.47Å; G115-R160 PolarHBondContact O-NE 3.02Å; R160-H186 HydrophobicContact CG-CB 4.03Å; R160-R188 WeakPolarHBondContact CB-O 3.4Å; R160-R188 VanDerWaalsContact CG-O 3.27Å; R160-R188 WeakPolarHBondContact CG-O 3.46Å; R160-T189 PolarHBondContact NH1-O 2.7Å; R160-E192 PolarHBondContact NH1-O 3.2Å
161I98.4Very high97.3Very high7 Ų743.8 Ų43.84%0.03622%0.22CC..  trans-77.2154.317764.4173.6000111.3T168 V185 H186 R188 T189 H198 A201 I205I161-T168 HydrophobicContact CB-CG2 4.37Å; I161-T168 HydrophobicContact CG2-CG2 4.21Å; I161-V185 HydrophobicContact CG2-CG1 3.65Å; I161-H186 PolarHBondContact N-O 2.74Å; I161-R188 PolarHBondContact N-O 3.04Å; I161-T189 HydrophobicContact CD1-CG2 4.32Å; I161-T189 HydrophobicContact CG1-CG2 3.91Å; I161-T189 VanDerWaalsContact O-CA 3.31Å; I161-T189 WeakPolarHBondContact O-CA 3.36Å; I161-H198 HydrophobicContact CD1-CB 4.02Å; I161-A201 HydrophobicContact CD1-CB 4.14Å; I161-I205 HydrophobicContact CG2-CD1 3.97Å
162H98.3Very high97.8Very high18 Ų1838.2 Ų38.28%0.08318%0.184CC..  trans-81.3160.5163.9-63.9137.8000111I131 D164 R167 T168I131-H162 WeakPolarHBondContact CD1-CD2 3.24Å; I131-H162 WeakPolarHBondContact CD1-NE2 3.14Å; I131-H162 WeakPolarHBondContact CG1-NE2 3.37Å; I131-H162 PolarHBondContact O-CE1 3.09Å; I131-H162 PolarHBondContact O-NE2 3.49Å; H162-D164 VanDerWaalsContact C-N 3.28Å; H162-D164 WeakPolarHBondContact CB-O 3.22Å; H162-D164 PolarHBondContact O-N 3.1Å; H162-R167 HydrophobicContact CB-CB 4.31Å; H162-R167 WeakPolarHBondContact ND1-CB 3.3Å; H162-T168 WeakPolarHBondContact CB-OG1 3.38Å; H162-T168 PolarHBondContact N-OG1 3.04Å; H162-T168 PolarHBondContact ND1-N 3.2Å
163D96Very high98.1Very high145 Ų14535.8 Ų35.878%0.77518%0.179SC*.SBendtrans-60.5-41.4169.8-59.8-36.7000110.8L165 T189D163-L165 PolarHBondContact O-N 3.24Å; D163-T189 WeakPolarHBondContact OD1-CG2 3.26Å
164D97.3Very high98.2Very high78 Ų7838.6 Ų38.642%0.41719%0.191SC..SBendtrans-87.3104.2168.4177.82.1000109.9H162 T166 R167H162-D164 VanDerWaalsContact C-N 3.28Å; H162-D164 WeakPolarHBondContact CB-O 3.22Å; H162-D164 PolarHBondContact O-N 3.1Å; D164-T166 PolarHBondContact O-N 3.1Å; D164-T166 WeakPolarHBondContact OD1-CB 3.45Å; D164-T166 PolarHBondContact OD1-N 3.04Å; D164-T166 PolarHBondContact OD1-OG1 2.83Å; D164-T166 PolarHBondContact OD2-OG1 3.22Å; D164-T166 VanDerWaalsContact OD2-OG1 3.09Å; D164-R167 HydrophobicContact CB-CG 4.24Å; D164-R167 WeakPolarHBondContact O-CB 3.48Å; D164-R167 PolarHBondContact O-N 3Å
165L97.9Very high98.1Very high39 Ų3938.6 Ų38.620%0.20419%0.191CC..Hα-helixtrans-58.9-30.2-177.6-172.460.1000112.8D163 R167 T168 I169 A201 I204 I205D163-L165 PolarHBondContact O-N 3.24Å; L165-R167 PolarHBondContact O-N 3.23Å; L165-T168 WeakPolarHBondContact O-CA 3.35Å; L165-T168 WeakPolarHBondContact O-CB 3.44Å; L165-T168 PolarHBondContact O-N 2.88Å; L165-I169 HydrophobicContact CG-CD1 4.24Å; L165-I169 HydrophobicContact CG-CG1 4.46Å; L165-I169 PolarHBondContact O-N 3.42Å; L165-A201 HydrophobicContact CD1-CB 3.84Å; L165-A201 HydrophobicContact CD2-CB 4.14Å; L165-I204 HydrophobicContact CD2-CB 4.07Å; L165-I204 HydrophobicContact CD2-CD1 3.74Å; L165-I204 HydrophobicContact CD2-CG2 3.92Å; L165-I205 HydrophobicContact CD1-CD1 3.97Å; L165-I205 HydrophobicContact CD1-CG1 4.13Å
166T98.2Very high98.1Very high90 Ų9040.9 Ų40.955%0.55220%0.202SC*.Hα-helixtrans-61.1-36.2-179.467.90000111.8D164 T168 I169 D170D164-T166 PolarHBondContact O-N 3.1Å; D164-T166 WeakPolarHBondContact OD1-CB 3.45Å; D164-T166 PolarHBondContact OD1-N 3.04Å; D164-T166 PolarHBondContact OD1-OG1 2.83Å; D164-T166 PolarHBondContact OD2-OG1 3.22Å; D164-T166 VanDerWaalsContact OD2-OG1 3.09Å; T166-T168 VanDerWaalsContact C-N 3.29Å; T166-T168 PolarHBondContact O-N 2.86Å; T166-I169 PolarHBondContact O-N 3.03Å; T166-D170 PolarHBondContact O-N 3.39Å
167R98.1Very high98.1Very high119 Ų11945.1 Ų45.145%0.44924%0.237SC..Hα-helixtrans-66.4-31.9173.8-62.5178.862.6-156-8.7112.4N132 H162 D164 L165 L171N132-R167 PolarHBondContact OD1-NH2 3.24Å; H162-R167 HydrophobicContact CB-CB 4.31Å; H162-R167 WeakPolarHBondContact ND1-CB 3.3Å; D164-R167 HydrophobicContact CB-CG 4.24Å; D164-R167 WeakPolarHBondContact O-CB 3.48Å; D164-R167 PolarHBondContact O-N 3Å; L165-R167 PolarHBondContact O-N 3.23Å; R167-L171 WeakPolarHBondContact O-CB 3.26Å; R167-L171 PolarHBondContact O-N 2.94Å; R167-L171 VanDerWaalsContact O-N 3.16Å
168T98.5Very high97.9Very high0 Ų046 Ų460%024%0.242CC..Hα-helixtrans-72.1-41.6176.2-47.60000110.6I159 I161 H162 L165 T166 L171 C172 I205I159-T168 HydrophobicContact CD1-CG2 3.93Å; I161-T168 HydrophobicContact CB-CG2 4.37Å; I161-T168 HydrophobicContact CG2-CG2 4.21Å; H162-T168 WeakPolarHBondContact CB-OG1 3.38Å; H162-T168 PolarHBondContact N-OG1 3.04Å; H162-T168 PolarHBondContact ND1-N 3.2Å; L165-T168 WeakPolarHBondContact O-CA 3.35Å; L165-T168 WeakPolarHBondContact O-CB 3.44Å; L165-T168 PolarHBondContact O-N 2.88Å; T166-T168 VanDerWaalsContact C-N 3.29Å; T166-T168 PolarHBondContact O-N 2.86Å; T168-L171 PolarHBondContact O-N 2.88Å; T168-C172 PolarHBondContact O-N 2.67Å; T168-C172 PolarHBondContact O-SG 3.11Å; T168-I205 HydrophobicContact CG2-CD1 3.57Å; T168-I205 HydrophobicContact CG2-CG1 4.3Å
169I98.6Very high97.8Very high35 Ų3546.4 Ų46.418%0.17925%0.253CS..Hα-helixtrans-60-49.4175.3-66.1166.8000110.4L165 T166 L171 C172 Q173 I204 I205L165-I169 HydrophobicContact CG-CD1 4.24Å; L165-I169 HydrophobicContact CG-CG1 4.46Å; L165-I169 PolarHBondContact O-N 3.42Å; T166-I169 PolarHBondContact O-N 3.03Å; I169-L171 VanDerWaalsContact C-N 3.33Å; I169-L171 PolarHBondContact O-N 3.17Å; I169-C172 PolarHBondContact O-N 3.48Å; I169-C172 VanDerWaalsContact O-N 3.11Å; I169-Q173 HydrophobicContact CG2-CG 4.38Å; I169-Q173 WeakPolarHBondContact O-CG 3.5Å; I169-Q173 PolarHBondContact O-N 2.96Å; I169-I204 HydrophobicContact CD1-CG2 3.77Å; I169-I205 HydrophobicContact CG1-CG1 4.38Å
170D98.2Very high97.7Very high67 Ų6746.6 Ų46.636%0.35825%0.254SS..Hα-helixtrans-56.4-44.9176.6173.773.8000112T166 C172 Q173 K174T166-D170 PolarHBondContact O-N 3.39Å; D170-C172 PolarHBondContact O-N 2.94Å; D170-Q173 PolarHBondContact O-N 3.34Å; D170-K174 VanDerWaalsContact CG-NZ 3.34Å; D170-K174 VanDerWaalsContact O-CB 3.28Å; D170-K174 WeakPolarHBondContact O-CB 3.43Å; D170-K174 VanDerWaalsContact O-CG 3.31Å; D170-K174 WeakPolarHBondContact O-CG 3.46Å; D170-K174 PolarHBondContact O-N 2.96Å; D170-K174 WeakPolarHBondContact OD1-CE 3.1Å; D170-K174 IonicContact OD1-NZ 3.18Å; D170-K174 PolarHBondContact OD1-NZ 3.23Å; D170-K174 VanDerWaalsContact OD2-CE 3.32Å; D170-K174 WeakPolarHBondContact OD2-CE 3.27Å; D170-K174 IonicContact OD2-NZ 2.7Å; D170-K174 PolarHBondContact OD2-NZ 3.33Å
171L98.1Very high97.7Very high7 Ų745.6 Ų45.64%0.03725%0.251CS..Hα-helixtrans-58.8-46.5174.6173.465.9000112I131 P134 I159 R167 T168 I169 K174 A175I131-L171 HydrophobicContact CB-CD2 3.82Å; I131-L171 HydrophobicContact CG2-CD2 4.05Å; P134-L171 HydrophobicContact CB-CD1 3.82Å; I159-L171 HydrophobicContact CD1-CD2 4.45Å; I159-L171 HydrophobicContact CG2-CD2 4.3Å; R167-L171 WeakPolarHBondContact O-CB 3.26Å; R167-L171 PolarHBondContact O-N 2.94Å; R167-L171 VanDerWaalsContact O-N 3.16Å; T168-L171 PolarHBondContact O-N 2.88Å; I169-L171 VanDerWaalsContact C-N 3.33Å; I169-L171 PolarHBondContact O-N 3.17Å; L171-K174 PolarHBondContact O-N 3.42Å; L171-A175 WeakPolarHBondContact O-CB 3.46Å; L171-A175 PolarHBondContact O-N 2.81Å
172C98.6Very high97.7Very high0 Ų045.3 Ų45.30%025%0.25CC..Hα-helixtrans-64.3-45-179-710000112.1T168 I169 D170 K174 A175 E176 I183 I205 V209T168-C172 PolarHBondContact O-N 2.67Å; T168-C172 PolarHBondContact O-SG 3.11Å; I169-C172 PolarHBondContact O-N 3.48Å; I169-C172 VanDerWaalsContact O-N 3.11Å; D170-C172 PolarHBondContact O-N 2.94Å; C172-K174 PolarHBondContact O-N 3.11Å; C172-A175 PolarHBondContact O-N 2.93Å; C172-E176 WeakPolarHBondContact O-CB 3.39Å; C172-E176 PolarHBondContact O-N 2.86Å; C172-I183 HydrophobicContact CB-CD1 3.76Å; C172-I205 HydrophobicContact CB-CG2 4.23Å; C172-V209 HydrophobicContact CB-CG1 3.95Å
173Q98.4Very high97.8Very high88 Ų8844.4 Ų44.441%0.41125%0.246SC..Hα-helixtrans-64.5-39.9177.7-70.8176.1-21.700111.8I169 D170 E176 A177 S208 V209I169-Q173 HydrophobicContact CG2-CG 4.38Å; I169-Q173 WeakPolarHBondContact O-CG 3.5Å; I169-Q173 PolarHBondContact O-N 2.96Å; D170-Q173 PolarHBondContact O-N 3.34Å; Q173-E176 PolarHBondContact O-N 3.29Å; Q173-A177 WeakPolarHBondContact O-CB 3.32Å; Q173-A177 PolarHBondContact O-N 3.06Å; Q173-S208 PolarHBondContact NE2-O 3.5Å; Q173-S208 VanDerWaalsContact NE2-O 3.12Å; Q173-V209 HydrophobicContact CG-CG1 4.1Å
174K97.3Very high97.9Very high63 Ų6337.5 Ų37.527%0.27421%0.209SC..Hα-helixtrans-63.5-41.2173.2-82173.7-178.8167.80112.8P134 D170 L171 C172 T178P134-K174 HydrophobicContact CB-CD 4.22Å; D170-K174 VanDerWaalsContact CG-NZ 3.34Å; D170-K174 VanDerWaalsContact O-CB 3.28Å; D170-K174 WeakPolarHBondContact O-CB 3.43Å; D170-K174 VanDerWaalsContact O-CG 3.31Å; D170-K174 WeakPolarHBondContact O-CG 3.46Å; D170-K174 PolarHBondContact O-N 2.96Å; D170-K174 WeakPolarHBondContact OD1-CE 3.1Å; D170-K174 IonicContact OD1-NZ 3.18Å; D170-K174 PolarHBondContact OD1-NZ 3.23Å; D170-K174 VanDerWaalsContact OD2-CE 3.32Å; D170-K174 WeakPolarHBondContact OD2-CE 3.27Å; D170-K174 IonicContact OD2-NZ 2.7Å; D170-K174 PolarHBondContact OD2-NZ 3.33Å; L171-K174 PolarHBondContact O-N 3.42Å; C172-K174 PolarHBondContact O-N 3.11Å; K174-T178 PolarHBondContact O-N 3.48Å; K174-T178 PolarHBondContact O-OG1 3Å
175A97.1Very high98Very high4 Ų433.8 Ų33.83%0.03319%0.189CC..Hα-helixtrans-65.7-44176.200000111.2I157 L171 C172 T178 G179 V180 I183I157-A175 HydrophobicContact CD1-CB 3.63Å; L171-A175 WeakPolarHBondContact O-CB 3.46Å; L171-A175 PolarHBondContact O-N 2.81Å; C172-A175 PolarHBondContact O-N 2.93Å; A175-T178 WeakPolarHBondContact O-CB 3.33Å; A175-T178 PolarHBondContact O-N 3.39Å; A175-T178 VanDerWaalsContact O-N 3.12Å; A175-G179 PolarHBondContact O-N 3.19Å; A175-V180 HydrophobicContact CB-CG1 4.14Å; A175-V180 HydrophobicContact CB-CG2 4.01Å; A175-V180 WeakPolarHBondContact O-CG2 3.22Å; A175-V180 PolarHBondContact O-N 3.36Å; A175-I183 HydrophobicContact CB-CD1 4.2Å
176E98.1Very high98Very high48 Ų4832.7 Ų32.722%0.22418%0.182CC..Hα-helixtrans-57.2-50.9173.7172.5172.3-124.500111.8C172 Q173 T178 G179 S210 I211C172-E176 WeakPolarHBondContact O-CB 3.39Å; C172-E176 PolarHBondContact O-N 2.86Å; Q173-E176 PolarHBondContact O-N 3.29Å; E176-T178 PolarHBondContact O-N 2.9Å; E176-G179 PolarHBondContact O-N 3.28Å; E176-S210 VanDerWaalsContact OE1-CA 3.28Å; E176-S210 WeakPolarHBondContact OE1-CA 3.45Å; E176-S210 WeakPolarHBondContact OE1-CB 3.15Å; E176-S210 PolarHBondContact OE1-N 2.96Å; E176-I211 HydrophobicContact CB-CD1 3.85Å; E176-I211 HydrophobicContact CB-CG1 4.17Å; E176-I211 HydrophobicContact CG-CD1 4.28Å; E176-I211 HydrophobicContact CG-CG1 4.16Å; E176-I211 HydrophobicContact CG-CG2 4Å; E176-I211 PolarHBondContact OE1-N 2.76Å
177A97.4Very high98Very high90 Ų9028.4 Ų28.474%0.74416%0.156SC*.Hα-helixtrans-59.8-18.9178.300000113.3Q173Q173-A177 WeakPolarHBondContact O-CB 3.32Å; Q173-A177 PolarHBondContact O-N 3.06Å
178T95.9Very high98Very high18 Ų1823 Ų2311%0.1114%0.136CC..THydrogen-bonded Turntrans-90.8-8.8177.1-55.20000113.3Q138 V141 K142 K174 A175 E176Q138-T178 HydrophobicContact CB-CG2 3.99Å; Q138-T178 HydrophobicContact CG-CG2 4.37Å; Q138-T178 VanDerWaalsContact CG-OG1 3.25Å; Q138-T178 WeakPolarHBondContact CG-OG1 3.4Å; Q138-T178 WeakPolarHBondContact O-CG2 3.19Å; V141-T178 HydrophobicContact CB-CG2 3.88Å; V141-T178 HydrophobicContact CG1-CG2 3.87Å; K142-T178 HydrophobicContact CD-CG2 4.2Å; K142-T178 HydrophobicContact CG-CG2 3.47Å; K142-T178 VanDerWaalsContact CG-CG2 3.47Å; K174-T178 PolarHBondContact O-N 3.48Å; K174-T178 PolarHBondContact O-OG1 3Å; A175-T178 WeakPolarHBondContact O-CB 3.33Å; A175-T178 PolarHBondContact O-N 3.39Å; A175-T178 VanDerWaalsContact O-N 3.12Å; E176-T178 PolarHBondContact O-N 2.9Å
179G95.6Very high98Very high30 Ų3023.4 Ų23.431%0.30914%0.138SC..THydrogen-bonded Turntrans90.630.5175.300000114.3R145 A175 E176R145-G179 VanDerWaalsContact CZ-O 3.3Å; R145-G179 PolarHBondContact NE-O 3.4Å; R145-G179 PolarHBondContact NH2-O 3.36Å; A175-G179 PolarHBondContact O-N 3.19Å; E176-G179 PolarHBondContact O-N 3.28Å
180V98Very high97.8Very high4 Ų423.3 Ų23.32%0.02414%0.138CC..  trans-61.3145.2162.1-58.50000109.7V141 V155 I157 A175 I183 I211V141-V180 HydrophobicContact CB-CG1 4.36Å; V141-V180 HydrophobicContact CG1-CG1 3.85Å; V141-V180 HydrophobicContact CG2-CG1 3.62Å; V155-V180 CarbonylContact O-C 3.54Å; V155-V180 WeakPolarHBondContact O-CA 3.39Å; I157-V180 HydrophobicContact CG2-CG1 4.1Å; A175-V180 HydrophobicContact CB-CG1 4.14Å; A175-V180 HydrophobicContact CB-CG2 4.01Å; A175-V180 WeakPolarHBondContact O-CG2 3.22Å; A175-V180 PolarHBondContact O-N 3.36Å; V180-I183 HydrophobicContact CG2-CD1 4.36Å; V180-I183 HydrophobicContact CG2-CG1 3.99Å; V180-I211 HydrophobicContact CG2-CD1 3.44Å; V180-I211 VanDerWaalsContact CG2-CD1 3.44Å
181S98.4Very high97.6Very high8 Ų827.7 Ų27.76%0.05616%0.156CC..SBendtrans-79-37.8-177.1-51.80000111.7M19 R145 S154 V155 P212M19-S181 WeakPolarHBondContact CE-O 3.32Å; R145-S181 PolarHBondContact NH2-OG 3.18Å; S154-S181 WeakPolarHBondContact CA-OG 3.31Å; V155-S181 PolarHBondContact N-OG 3.49Å; V155-S181 PolarHBondContact O-N 3.2Å; V155-S181 PolarHBondContact O-OG 3.5Å; S181-P212 WeakPolarHBondContact O-CD 3.46Å
182W98.8Very high97.3Very high0 Ų029 Ų290%016%0.162CC..  trans-159.8169171.365.294.1000110.4P18 M19 F22 L53 Y55 I85 S156 I157 P212P18-W182 HydrophobicContact CB-CH2 4.02Å; P18-W182 HydrophobicContact CB-CZ3 3.93Å; P18-W182 HydrophobicContact CG-CH2 4.44Å; M19-W182 HydrophobicContact SD-CE3 3.82Å; M19-W182 HydrophobicContact SD-CZ3 4.17Å; F22-W182 HydrophobicContact CD2-CE3 4.44Å; F22-W182 HydrophobicContact CE2-CB 4.39Å; F22-W182 AromaticContact CE2-CD2 3.75Å; F22-W182 HydrophobicContact CE2-CD2 3.75Å; F22-W182 AromaticContact CE2-CE3 3.76Å; F22-W182 HydrophobicContact CE2-CE3 3.76Å; F22-W182 HydrophobicContact CE2-CG 4.02Å; F22-W182 HydrophobicContact CE2-CZ3 4.32Å; F22-W182 HydrophobicContact CZ-CD2 4.26Å; F22-W182 HydrophobicContact CZ-CG 4.24Å; L53-W182 HydrophobicContact CD2-CZ2 4.48Å; Y55-W182 VanDerWaalsContact OH-CZ2 3.27Å; Y55-W182 WeakPolarHBondContact OH-CZ2 3.43Å; Y55-W182 PolarHBondContact OH-NE1 3.09Å; I85-W182 HydrophobicContact CD1-CH2 3.57Å; I85-W182 HydrophobicContact CD1-CZ2 3.89Å; I85-W182 HydrophobicContact CG1-CH2 4.15Å; I85-W182 HydrophobicContact CG1-CZ2 3.94Å; S156-W182 WeakPolarHBondContact CA-O 3.31Å; S156-W182 WeakPolarHBondContact CB-O 3.3Å; S156-W182 WeakPolarHBondContact OG-CZ2 3.33Å; I157-W182 PolarHBondContact N-O 2.65Å; W182-P212 VanDerWaalsContact CA-O 3.25Å; W182-P212 WeakPolarHBondContact CA-O 3.44Å; W182-P212 HydrophobicContact CB-CB 3.83Å; W182-P212 HydrophobicContact CB-CG 4.45Å; W182-P212 WeakPolarHBondContact CB-O 3.25Å
183I98.9Very high96.6Very high0 Ų035.6 Ų35.60%019%0.187CC..EExtended strand (participates in β ladder)trans-122.3128.9176.2-60174.8000109.5I157 I159 C172 A175 V180 V185 I211 P212 V213 V214I157-I183 HydrophobicContact CD1-CD1 4.42Å; I157-I183 HydrophobicContact CD1-CG1 4.21Å; I157-I183 HydrophobicContact CG1-CB 4.41Å; I157-I183 HydrophobicContact CG1-CG1 3.91Å; I157-I183 HydrophobicContact CG1-CG2 4.18Å; I159-I183 HydrophobicContact CD1-CG2 4.08Å; I159-I183 HydrophobicContact CG1-CG2 4.1Å; C172-I183 HydrophobicContact CB-CD1 3.76Å; A175-I183 HydrophobicContact CB-CD1 4.2Å; V180-I183 HydrophobicContact CG2-CD1 4.36Å; V180-I183 HydrophobicContact CG2-CG1 3.99Å; I183-V185 HydrophobicContact CG2-CG2 3.88Å; I183-I211 HydrophobicContact CD1-CD1 3.84Å; I183-I211 HydrophobicContact CG1-CD1 3.79Å; I183-P212 PolarHBondContact N-O 3.28Å; I183-V213 CarbonylContact O-C 3.26Å; I183-V213 VanDerWaalsContact O-CA 3.3Å; I183-V213 WeakPolarHBondContact O-CA 3.2Å; I183-V214 PolarHBondContact O-N 2.94Å
184T98.9Very high96Very high0 Ų039.1 Ų39.10%020%0.203CC..EExtended strand (participates in β ladder)trans-98.2123.1168.4-56.30000110.5I157 K158 I159 V214 N216 M238I157-T184 PolarHBondContact O-N 3.04Å; K158-T184 CarbonylContact C-O 3.53Å; K158-T184 WeakPolarHBondContact CA-O 3.43Å; K158-T184 HydrophobicContact CD-CG2 4.33Å; K158-T184 HydrophobicContact CG-CG2 4.03Å; I159-T184 PolarHBondContact N-O 3.4Å; T184-V214 WeakPolarHBondContact CA-O 3.43Å; T184-V214 HydrophobicContact CG2-CB 4.07Å; T184-V214 HydrophobicContact CG2-CG1 3.88Å; T184-N216 HydrophobicContact CG2-CB 3.95Å; T184-M238 HydrophobicContact CG2-CB 4.2Å; T184-M238 HydrophobicContact CG2-CE 3.81Å; T184-M238 HydrophobicContact CG2-SD 3.72Å
185V98.9Very high95.9Very high0 Ų041.3 Ų41.30%021%0.214CC..EExtended strand (participates in β ladder)trans-109.4115-176.7-1730000110I159 I161 I183 I202 I205 V213 V214 N216I159-V185 HydrophobicContact CD1-CG2 4.2Å; I159-V185 HydrophobicContact CG1-CB 4.48Å; I159-V185 HydrophobicContact CG1-CG1 4.4Å; I159-V185 HydrophobicContact CG1-CG2 4.14Å; I161-V185 HydrophobicContact CG2-CG1 3.65Å; I183-V185 HydrophobicContact CG2-CG2 3.88Å; V185-I202 HydrophobicContact CB-CG1 4.27Å; V185-I202 HydrophobicContact CB-CG2 4.43Å; V185-I202 HydrophobicContact CG1-CG1 3.95Å; V185-I205 HydrophobicContact CG1-CD1 3.91Å; V185-I205 HydrophobicContact CG2-CD1 4.43Å; V185-I205 HydrophobicContact CG2-CG2 4.14Å; V185-V213 HydrophobicContact CG2-CG1 3.9Å; V185-V214 PolarHBondContact N-O 3.2Å; V185-N216 PolarHBondContact O-N 2.92Å
186H98.6Very high95.8Very high15 Ų1545.6 Ų45.67%0.06924%0.242CC..EExtended strand (participates in β ladder)trans-81.2114.7161.3-172.9-54.9000108.6I159 R160 I161 R188 N216I159-H186 PolarHBondContact O-N 3.33Å; R160-H186 HydrophobicContact CG-CB 4.03Å; I161-H186 PolarHBondContact N-O 2.74Å; H186-R188 VanDerWaalsContact CE1-CB 3.46Å; H186-R188 WeakPolarHBondContact CE1-CB 3.09Å; H186-R188 VanDerWaalsContact CE1-CD 3.46Å; H186-R188 WeakPolarHBondContact CE1-CD 3.24Å; H186-R188 VanDerWaalsContact CE1-CG 3.43Å; H186-R188 WeakPolarHBondContact CE1-CG 3.31Å; H186-R188 WeakPolarHBondContact ND1-CB 3.45Å; H186-R188 PolarHBondContact ND1-N 2.72Å; H186-R188 VanDerWaalsContact ND1-N 3.2Å; H186-R188 PolarHBondContact O-N 3.28Å; H186-N216 WeakPolarHBondContact CA-O 3.11Å; H186-N216 HydrophobicContact CB-CB 4.49Å; H186-N216 PolarHBondContact CD2-OD1 3.35Å
187G97.9Very high95.8Very high0 Ų044.1 Ų44.10%024%0.236CC..SBendtrans-73.337.2-176.200000114.8H198 N216G187-H198 WeakPolarHBondContact O-CB 3.39Å; G187-H198 PolarHBondContact O-CD2 3.32Å; G187-H198 PolarHBondContact O-N 3.02Å; G187-N216 PolarHBondContact N-O 3.1Å
188R98.2Very high95.8Very high5 Ų543.7 Ų43.72%0.01922%0.219CC..SBendtrans-131.7147.3172-73.1-177.2-174.2127.8-17.5108.9R160 I161 H186 E192 Q195 V197 D218R160-R188 WeakPolarHBondContact CB-O 3.4Å; R160-R188 VanDerWaalsContact CG-O 3.27Å; R160-R188 WeakPolarHBondContact CG-O 3.46Å; I161-R188 PolarHBondContact N-O 3.04Å; H186-R188 VanDerWaalsContact CE1-CB 3.46Å; H186-R188 WeakPolarHBondContact CE1-CB 3.09Å; H186-R188 VanDerWaalsContact CE1-CD 3.46Å; H186-R188 WeakPolarHBondContact CE1-CD 3.24Å; H186-R188 VanDerWaalsContact CE1-CG 3.43Å; H186-R188 WeakPolarHBondContact CE1-CG 3.31Å; H186-R188 WeakPolarHBondContact ND1-CB 3.45Å; H186-R188 PolarHBondContact ND1-N 2.72Å; H186-R188 VanDerWaalsContact ND1-N 3.2Å; H186-R188 PolarHBondContact O-N 3.28Å; R188-E192 VanDerWaalsContact CA-OE2 3.26Å; R188-E192 WeakPolarHBondContact CA-OE2 3.32Å; R188-E192 HydrophobicContact CB-CB 3.82Å; R188-E192 WeakPolarHBondContact CD-O 3.48Å; R188-E192 HydrophobicContact CG-CB 4.13Å; R188-Q195 PolarHBondContact NE-O 3.15Å; R188-Q195 PolarHBondContact NH2-O 3.46Å; R188-V197 HydrophobicContact CG-CG2 4.25Å; R188-D218 IonicContact CZ-OD1 2.79Å; R188-D218 VanDerWaalsContact CZ-OD1 3.26Å; R188-D218 IonicContact CZ-OD2 3.42Å; R188-D218 IonicContact NH1-OD1 3.72Å; R188-D218 PolarHBondContact NH1-OD1 3.12Å; R188-D218 IonicContact NH1-OD2 3.05Å; R188-D218 IonicContact NH2-OD1 3.77Å; R188-D218 PolarHBondContact NH2-OD1 3.2Å; R188-D218 IonicContact NH2-OD2 2.84Å; R188-D218 PolarHBondContact NH2-OD2 3.18Å
189T97.6Very high95.9Very high9 Ų944.9 Ų44.96%0.05522%0.221CC..  trans-72.2173.5171.778.70000110.3R160 I161 D163 E191 E192R160-T189 PolarHBondContact NH1-O 2.7Å; I161-T189 HydrophobicContact CD1-CG2 4.32Å; I161-T189 HydrophobicContact CG1-CG2 3.91Å; I161-T189 VanDerWaalsContact O-CA 3.31Å; I161-T189 WeakPolarHBondContact O-CA 3.36Å; D163-T189 WeakPolarHBondContact OD1-CG2 3.26Å; T189-E191 VanDerWaalsContact C-N 3.26Å; T189-E191 PolarHBondContact O-N 2.84Å; T189-E192 PolarHBondContact N-OE2 3.1Å; T189-E192 PolarHBondContact O-N 2.89Å; T189-E192 VanDerWaalsContact OG1-CG 3.3Å; T189-E192 WeakPolarHBondContact OG1-CG 3.16Å
190I94.6Very high96.1Very high34 Ų3448.2 Ų48.217%0.17423%0.229CC..SBendtrans-61.8-38.4-178.5-59.5-178.2000111P117 M122 A128 I131P117-I190 HydrophobicContact CB-CG2 3.86Å; M122-I190 HydrophobicContact SD-CG2 4.3Å; A128-I190 HydrophobicContact CB-CD1 3.57Å; A128-I190 HydrophobicContact CB-CG1 3.77Å; A128-I190 HydrophobicContact CB-CG2 4.44Å; A128-I190 WeakPolarHBondContact O-CD1 3.46Å; I131-I190 HydrophobicContact CD1-CD1 3.78Å; I131-I190 HydrophobicContact CD1-CG1 4.15Å
191E93.9Very high96.1Very high158 Ų15848.6 Ų48.674%0.73823%0.232SC*.SBendtrans-81.8-20.7-175.9-57-54.4163.200113.2T189 R193T189-E191 VanDerWaalsContact C-N 3.26Å; T189-E191 PolarHBondContact O-N 2.84Å; E191-R193 PolarHBondContact O-N 2.82Å
192E93.1Very high96.1Very high34 Ų3448.2 Ų48.216%0.15923%0.23CC..  trans-76.986.4175.9-71.5179.814600111.3R160 R188 T189 Q195 H198R160-E192 PolarHBondContact NH1-O 3.2Å; R188-E192 VanDerWaalsContact CA-OE2 3.26Å; R188-E192 WeakPolarHBondContact CA-OE2 3.32Å; R188-E192 HydrophobicContact CB-CB 3.82Å; R188-E192 WeakPolarHBondContact CD-O 3.48Å; R188-E192 HydrophobicContact CG-CB 4.13Å; T189-E192 PolarHBondContact N-OE2 3.1Å; T189-E192 PolarHBondContact O-N 2.89Å; T189-E192 VanDerWaalsContact OG1-CG 3.3Å; T189-E192 WeakPolarHBondContact OG1-CG 3.16Å; E192-Q195 HydrophobicContact CB-CB 4.01Å; E192-Q195 HydrophobicContact CB-CG 4.17Å; E192-Q195 HydrophobicContact CG-CB 3.92Å; E192-Q195 HydrophobicContact CG-CG 3.86Å; E192-H198 IonicContact OE1-CD2 2.72Å; E192-H198 IonicContact OE1-CE1 3.04Å; E192-H198 IonicContact OE1-NE2 2.7Å; E192-H198 PolarHBondContact OE1-NE2 3.48Å; E192-H198 IonicContact OE2-CD2 3.95Å; E192-H198 PolarHBondContact OE2-CD2 3.4Å; E192-H198 IonicContact OE2-NE2 2.68Å; E192-H198 PolarHBondContact OE2-NE2 2.94Å
193R83.2Confident96.1Very high140 Ų14051.2 Ų51.253%0.52824%0.243SC..SBendtrans-81.7-42174.3-68-174.2177.1-135.5-3.7113.4E191E191-R193 PolarHBondContact O-N 2.82Å
194H85.6Confident96.1Very high162 Ų16254 Ų5475%0.7526%0.257SS*.SBendtrans-1256.4-172.9-59.4-64.8000113.6
195Q94.9Very high96.1Very high109 Ų10954 Ų5451%0.50926%0.257SS..SBendtrans-73161.7176.8-61.5-53.4-31.500111.2R188 E192R188-Q195 PolarHBondContact NE-O 3.15Å; R188-Q195 PolarHBondContact NH2-O 3.46Å; E192-Q195 HydrophobicContact CB-CB 4.01Å; E192-Q195 HydrophobicContact CB-CG 4.17Å; E192-Q195 HydrophobicContact CG-CB 3.92Å; E192-Q195 HydrophobicContact CG-CG 3.86Å
196P95.6Very high96.1Very high94 Ų9455.8 Ų55.861%0.6127%0.265SS*.PPolyproline II helixtrans-54.2157.5170.4-26.336.6000112.7
197V97.6Very high96.1Very high17 Ų1761.6 Ų61.610%0.10329%0.292CS..PPolyproline II helixtrans-88131.7175.4-179.50000109R188 Y199 D218R188-V197 HydrophobicContact CG-CG2 4.25Å; V197-Y199 HydrophobicContact CB-CE1 4.14Å; V197-Y199 HydrophobicContact CB-CE2 4.12Å; V197-Y199 HydrophobicContact CG1-CD1 3.9Å; V197-Y199 HydrophobicContact CG1-CE1 3.6Å; V197-Y199 HydrophobicContact CG1-CE2 4.4Å; V197-Y199 HydrophobicContact CG1-CG 4.41Å; V197-Y199 PolarHBondContact O-N 3.07Å; V197-Y199 VanDerWaalsContact O-N 3.12Å; V197-D218 HydrophobicContact CG2-CB 3.79Å
198H98.3Very high96.1Very high81 Ų8162.9 Ų62.938%0.37530%0.301SS..  trans-82.878.1178.6-58.8-77.5000110.9I161 G187 E192 E200 A201 I202I161-H198 HydrophobicContact CD1-CB 4.02Å; G187-H198 WeakPolarHBondContact O-CB 3.39Å; G187-H198 PolarHBondContact O-CD2 3.32Å; G187-H198 PolarHBondContact O-N 3.02Å; E192-H198 IonicContact OE1-CD2 2.72Å; E192-H198 IonicContact OE1-CE1 3.04Å; E192-H198 IonicContact OE1-NE2 2.7Å; E192-H198 PolarHBondContact OE1-NE2 3.48Å; E192-H198 IonicContact OE2-CD2 3.95Å; E192-H198 PolarHBondContact OE2-CD2 3.4Å; E192-H198 IonicContact OE2-NE2 2.68Å; E192-H198 PolarHBondContact OE2-NE2 2.94Å; H198-E200 VanDerWaalsContact C-N 3.3Å; H198-E200 PolarHBondContact O-N 3.41Å; H198-A201 HydrophobicContact CB-CB 3.96Å; H198-A201 WeakPolarHBondContact O-CB 3.35Å; H198-A201 PolarHBondContact O-N 3.42Å; H198-I202 PolarHBondContact O-N 2.98Å
199Y98.4Very high96.1Very high43 Ų4363.2 Ų63.217%0.16930%0.303CS..Hα-helixtrans-66.1-29.5179.5-63.9-63.1000113.5V197 A201 I202 K203 G217 V228 M231V197-Y199 HydrophobicContact CB-CE1 4.14Å; V197-Y199 HydrophobicContact CB-CE2 4.12Å; V197-Y199 HydrophobicContact CG1-CD1 3.9Å; V197-Y199 HydrophobicContact CG1-CE1 3.6Å; V197-Y199 HydrophobicContact CG1-CE2 4.4Å; V197-Y199 HydrophobicContact CG1-CG 4.41Å; V197-Y199 PolarHBondContact O-N 3.07Å; V197-Y199 VanDerWaalsContact O-N 3.12Å; Y199-A201 VanDerWaalsContact C-N 3.29Å; Y199-A201 PolarHBondContact O-N 3.21Å; Y199-I202 HydrophobicContact CD1-CD1 4.05Å; Y199-I202 WeakPolarHBondContact O-CB 3.47Å; Y199-I202 PolarHBondContact O-N 3.49Å; Y199-I202 VanDerWaalsContact O-N 3.13Å; Y199-K203 PolarHBondContact O-N 3.03Å; Y199-G217 PolarHBondContact OH-O 3.19Å; Y199-V228 HydrophobicContact CD1-CB 4.47Å; Y199-V228 HydrophobicContact CD1-CG1 3.64Å; Y199-V228 HydrophobicContact CD1-CG2 4.02Å; Y199-V228 HydrophobicContact CD2-CG2 4.28Å; Y199-V228 HydrophobicContact CE1-CB 4.25Å; Y199-V228 HydrophobicContact CE1-CG1 3.57Å; Y199-V228 HydrophobicContact CE1-CG2 3.56Å; Y199-V228 HydrophobicContact CE2-CG2 3.81Å; Y199-V228 HydrophobicContact CG-CG1 4.47Å; Y199-V228 HydrophobicContact CG-CG2 4.37Å; Y199-V228 VanDerWaalsContact CZ-CG2 3.42Å; Y199-M231 HydrophobicContact CD2-SD 4.21Å; Y199-M231 HydrophobicContact CG-SD 4.23Å
200E98.4Very high96.2Very high100 Ų10068.1 Ų68.147%0.46734%0.338SS..Hα-helixtrans-64.3-36.3174.7-168.461.6-160.100111.6H198 I202 K203 I204H198-E200 VanDerWaalsContact C-N 3.3Å; H198-E200 PolarHBondContact O-N 3.41Å; E200-I202 VanDerWaalsContact C-N 3.3Å; E200-I202 PolarHBondContact O-N 3.22Å; E200-K203 WeakPolarHBondContact O-CB 3.41Å; E200-K203 PolarHBondContact O-N 3.42Å; E200-K203 IonicContact OE1-NZ 3.14Å; E200-I204 HydrophobicContact CG-CD1 4.42Å; E200-I204 WeakPolarHBondContact O-CG1 3.13Å; E200-I204 PolarHBondContact O-N 2.87Å
201A98.6Very high96.4Very high12 Ų1267.8 Ų67.810%0.09934%0.336CS..Hα-helixtrans-63-38.4173.400000111.6I161 L165 H198 Y199 K203 I204 I205I161-A201 HydrophobicContact CD1-CB 4.14Å; L165-A201 HydrophobicContact CD1-CB 3.84Å; L165-A201 HydrophobicContact CD2-CB 4.14Å; H198-A201 HydrophobicContact CB-CB 3.96Å; H198-A201 WeakPolarHBondContact O-CB 3.35Å; H198-A201 PolarHBondContact O-N 3.42Å; Y199-A201 VanDerWaalsContact C-N 3.29Å; Y199-A201 PolarHBondContact O-N 3.21Å; A201-K203 VanDerWaalsContact C-N 3.35Å; A201-I204 PolarHBondContact O-N 3.13Å; A201-I205 WeakPolarHBondContact O-CD1 3.45Å; A201-I205 VanDerWaalsContact O-CG1 3.26Å; A201-I205 WeakPolarHBondContact O-CG1 3.18Å; A201-I205 PolarHBondContact O-N 2.88Å
202I98.8Very high96.6Very high0 Ų061 Ų610%031%0.306CS..Hα-helixtrans-64.4-41.5175.7-58.9178.8000110.6V185 H198 Y199 E200 I205 K206 V213 A215 T234V185-I202 HydrophobicContact CB-CG1 4.27Å; V185-I202 HydrophobicContact CB-CG2 4.43Å; V185-I202 HydrophobicContact CG1-CG1 3.95Å; H198-I202 PolarHBondContact O-N 2.98Å; Y199-I202 HydrophobicContact CD1-CD1 4.05Å; Y199-I202 WeakPolarHBondContact O-CB 3.47Å; Y199-I202 PolarHBondContact O-N 3.49Å; Y199-I202 VanDerWaalsContact O-N 3.13Å; E200-I202 VanDerWaalsContact C-N 3.3Å; E200-I202 PolarHBondContact O-N 3.22Å; I202-I205 PolarHBondContact O-N 2.89Å; I202-K206 PolarHBondContact O-N 3.2Å; I202-V213 HydrophobicContact CG2-CG1 4.45Å; I202-A215 HydrophobicContact CD1-CB 4.24Å; I202-A215 HydrophobicContact CG2-CB 4.11Å; I202-T234 HydrophobicContact CG2-CG2 3.64Å
203K98.8Very high96.9Very high62 Ų6259.4 Ų59.427%0.2730%0.299SS..Hα-helixtrans-58.9-51.2175.4-175.5-173.2169.4-170.30111.9Y199 E200 A201 I205 K206 E207Y199-K203 PolarHBondContact O-N 3.03Å; E200-K203 WeakPolarHBondContact O-CB 3.41Å; E200-K203 PolarHBondContact O-N 3.42Å; E200-K203 IonicContact OE1-NZ 3.14Å; A201-K203 VanDerWaalsContact C-N 3.35Å; K203-I205 PolarHBondContact O-N 3.39Å; K203-K206 WeakPolarHBondContact O-CB 3.23Å; K203-K206 PolarHBondContact O-N 2.98Å; K203-E207 WeakPolarHBondContact CE-OE1 3.3Å; K203-E207 WeakPolarHBondContact O-CG 3.43Å; K203-E207 PolarHBondContact O-N 3.33Å
204I98.8Very high97.6Very high60 Ų6052.7 Ų52.731%0.30827%0.274SS..Hα-helixtrans-57.7-40.3177.7-66.7165.9000110.8L165 I169 E200 A201 E207 S208L165-I204 HydrophobicContact CD2-CB 4.07Å; L165-I204 HydrophobicContact CD2-CD1 3.74Å; L165-I204 HydrophobicContact CD2-CG2 3.92Å; I169-I204 HydrophobicContact CD1-CG2 3.77Å; E200-I204 HydrophobicContact CG-CD1 4.42Å; E200-I204 WeakPolarHBondContact O-CG1 3.13Å; E200-I204 PolarHBondContact O-N 2.87Å; A201-I204 PolarHBondContact O-N 3.13Å; I204-E207 PolarHBondContact O-N 2.83Å; I204-S208 WeakPolarHBondContact O-CB 3.05Å; I204-S208 PolarHBondContact O-N 2.91Å; I204-S208 VanDerWaalsContact O-N 3.17Å
205I98.8Very high98.2Very high0 Ų045 Ų450%024%0.238CC..Hα-helixtrans-65-44.5175.7-68.6160.3000111I161 L165 T168 I169 C172 V185 A201 I202 K203 E207 S208I161-I205 HydrophobicContact CG2-CD1 3.97Å; L165-I205 HydrophobicContact CD1-CD1 3.97Å; L165-I205 HydrophobicContact CD1-CG1 4.13Å; T168-I205 HydrophobicContact CG2-CD1 3.57Å; T168-I205 HydrophobicContact CG2-CG1 4.3Å; I169-I205 HydrophobicContact CG1-CG1 4.38Å; C172-I205 HydrophobicContact CB-CG2 4.23Å; V185-I205 HydrophobicContact CG1-CD1 3.91Å; V185-I205 HydrophobicContact CG2-CD1 4.43Å; V185-I205 HydrophobicContact CG2-CG2 4.14Å; A201-I205 WeakPolarHBondContact O-CD1 3.45Å; A201-I205 VanDerWaalsContact O-CG1 3.26Å; A201-I205 WeakPolarHBondContact O-CG1 3.18Å; A201-I205 PolarHBondContact O-N 2.88Å; I202-I205 PolarHBondContact O-N 2.89Å; K203-I205 PolarHBondContact O-N 3.39Å; I205-E207 VanDerWaalsContact C-N 3.28Å; I205-E207 PolarHBondContact O-N 2.91Å; I205-S208 WeakPolarHBondContact CA-OG 3.32Å; I205-S208 WeakPolarHBondContact O-CB 3.48Å; I205-S208 PolarHBondContact O-N 2.76Å; I205-S208 PolarHBondContact O-OG 2.8Å
206K98.6Very high98.4Very high36 Ų3640.2 Ų40.216%0.15722%0.216CC..Hα-helixtrans-59.7-38.6177.2171.161.6-161.91770112I202 K203 S208 V209 V213 G233 T234 D235I202-K206 PolarHBondContact O-N 3.2Å; K203-K206 WeakPolarHBondContact O-CB 3.23Å; K203-K206 PolarHBondContact O-N 2.98Å; K206-S208 PolarHBondContact O-N 2.83Å; K206-V209 VanDerWaalsContact O-O 3.12Å; K206-V213 HydrophobicContact CB-CB 4.16Å; K206-V213 HydrophobicContact CB-CG1 4.42Å; K206-V213 HydrophobicContact CB-CG2 4.34Å; K206-V213 HydrophobicContact CD-CB 3.75Å; K206-V213 HydrophobicContact CD-CG2 3.92Å; K206-G233 WeakPolarHBondContact CG-O 3.19Å; K206-T234 HydrophobicContact CB-CG2 4.24Å; K206-T234 HydrophobicContact CG-CG2 4.47Å; K206-D235 WeakPolarHBondContact CE-OD2 3.5Å; K206-D235 VanDerWaalsContact NZ-CG 3.27Å; K206-D235 IonicContact NZ-OD1 2.76Å; K206-D235 PolarHBondContact NZ-OD1 3.34Å; K206-D235 IonicContact NZ-OD2 2.96Å; K206-D235 PolarHBondContact NZ-OD2 2.91Å
207E98.6Very high98.5Very high137 Ų13736 Ų3664%0.6419%0.189SC*.Hα-helixtrans-71.5-18.6176.1-67.9171.2173.800113K203 I204 I205K203-E207 WeakPolarHBondContact CE-OE1 3.3Å; K203-E207 WeakPolarHBondContact O-CG 3.43Å; K203-E207 PolarHBondContact O-N 3.33Å; I204-E207 PolarHBondContact O-N 2.83Å; I205-E207 VanDerWaalsContact C-N 3.28Å; I205-E207 PolarHBondContact O-N 2.91Å
208S98.6Very high98.4Very high27 Ų2737.3 Ų37.319%0.18920%0.196CC..THydrogen-bonded Turntrans-90-8.9-175.677.90000115.3Q173 I204 I205 K206Q173-S208 PolarHBondContact NE2-O 3.5Å; Q173-S208 VanDerWaalsContact NE2-O 3.12Å; I204-S208 WeakPolarHBondContact O-CB 3.05Å; I204-S208 PolarHBondContact O-N 2.91Å; I204-S208 VanDerWaalsContact O-N 3.17Å; I205-S208 WeakPolarHBondContact CA-OG 3.32Å; I205-S208 WeakPolarHBondContact O-CB 3.48Å; I205-S208 PolarHBondContact O-N 2.76Å; I205-S208 PolarHBondContact O-OG 2.8Å; K206-S208 PolarHBondContact O-N 2.83Å
209V98.6Very high98.3Very high12 Ų1233.8 Ų33.87%0.07318%0.179CC..  trans-134.6156.3-178.5-61.90000111.2C172 Q173 K206 I211 V213C172-V209 HydrophobicContact CB-CG1 3.95Å; Q173-V209 HydrophobicContact CG-CG1 4.1Å; K206-V209 VanDerWaalsContact O-O 3.12Å; V209-I211 HydrophobicContact CB-CG1 4.15Å; V209-I211 HydrophobicContact CG2-CG1 4.06Å; V209-V213 HydrophobicContact CG2-CG2 3.52Å
210S98.2Very high98.2Very high112 Ų11239 Ų3978%0.78320%0.199SC*.SBendtrans-94.3-24.6178.6-56.50000113.5E176E176-S210 VanDerWaalsContact OE1-CA 3.28Å; E176-S210 WeakPolarHBondContact OE1-CA 3.45Å; E176-S210 WeakPolarHBondContact OE1-CB 3.15Å; E176-S210 PolarHBondContact OE1-N 2.96Å
211I98.4Very high98.2Very high27 Ų2735.6 Ų35.614%0.13818%0.184CC..SBendtrans-67.2160.9173.956.1169.7000112.5E176 V180 I183 V209E176-I211 HydrophobicContact CB-CD1 3.85Å; E176-I211 HydrophobicContact CB-CG1 4.17Å; E176-I211 HydrophobicContact CG-CD1 4.28Å; E176-I211 HydrophobicContact CG-CG1 4.16Å; E176-I211 HydrophobicContact CG-CG2 4Å; E176-I211 PolarHBondContact OE1-N 2.76Å; V180-I211 HydrophobicContact CG2-CD1 3.44Å; V180-I211 VanDerWaalsContact CG2-CD1 3.44Å; I183-I211 HydrophobicContact CD1-CD1 3.84Å; I183-I211 HydrophobicContact CG1-CD1 3.79Å; V209-I211 HydrophobicContact CB-CG1 4.15Å; V209-I211 HydrophobicContact CG2-CG1 4.06Å
212P98.7Very high98.2Very high16 Ų1636.8 Ų36.810%0.10419%0.188CC..  trans-58.9142.1173.2-23.632.6000113.1M19 F22 S181 W182 I183 D235M19-P212 HydrophobicContact CE-CG 3.81Å; F22-P212 HydrophobicContact CB-CB 3.97Å; F22-P212 HydrophobicContact CB-CG 3.7Å; F22-P212 HydrophobicContact CD1-CB 4.06Å; F22-P212 HydrophobicContact CD2-CB 4.01Å; F22-P212 HydrophobicContact CD2-CG 4.03Å; F22-P212 HydrophobicContact CG-CB 3.76Å; F22-P212 HydrophobicContact CG-CG 3.91Å; S181-P212 WeakPolarHBondContact O-CD 3.46Å; W182-P212 VanDerWaalsContact CA-O 3.25Å; W182-P212 WeakPolarHBondContact CA-O 3.44Å; W182-P212 HydrophobicContact CB-CB 3.83Å; W182-P212 HydrophobicContact CB-CG 4.45Å; W182-P212 WeakPolarHBondContact CB-O 3.25Å; I183-P212 PolarHBondContact N-O 3.28Å; P212-D235 WeakPolarHBondContact CA-OD2 3.48Å; P212-D235 HydrophobicContact CB-CB 3.93Å
213V98.9Very high98.2Very high0 Ų043.3 Ų43.30%022%0.217CC..EExtended strand (participates in β ladder)trans-123.6135.6172.8-179.80000109I183 V185 I202 K206 V209 T234 D235I183-V213 CarbonylContact O-C 3.26Å; I183-V213 VanDerWaalsContact O-CA 3.3Å; I183-V213 WeakPolarHBondContact O-CA 3.2Å; V185-V213 HydrophobicContact CG2-CG1 3.9Å; I202-V213 HydrophobicContact CG2-CG1 4.45Å; K206-V213 HydrophobicContact CB-CB 4.16Å; K206-V213 HydrophobicContact CB-CG1 4.42Å; K206-V213 HydrophobicContact CB-CG2 4.34Å; K206-V213 HydrophobicContact CD-CB 3.75Å; K206-V213 HydrophobicContact CD-CG2 3.92Å; V209-V213 HydrophobicContact CG2-CG2 3.52Å; V213-T234 HydrophobicContact CB-CG2 4.31Å; V213-T234 HydrophobicContact CG1-CG2 4.03Å; V213-T234 VanDerWaalsContact O-CB 3.22Å; V213-T234 WeakPolarHBondContact O-CB 3.39Å; V213-D235 PolarHBondContact N-OD2 3.29Å; V213-D235 PolarHBondContact O-N 3.06Å
214V98.9Very high98.1Very high0 Ų043.4 Ų43.40%022%0.218CC..EExtended strand (participates in β ladder)trans-111.9124.7179.7172.70000109.8F22 I30 I183 T184 V185 G236 M238F22-V214 HydrophobicContact CE1-CG2 3.75Å; F22-V214 HydrophobicContact CZ-CG2 3.87Å; I30-V214 HydrophobicContact CD1-CB 4.31Å; I30-V214 HydrophobicContact CD1-CG1 3.7Å; I30-V214 HydrophobicContact CD1-CG2 3.6Å; I183-V214 PolarHBondContact O-N 2.94Å; T184-V214 WeakPolarHBondContact CA-O 3.43Å; T184-V214 HydrophobicContact CG2-CB 4.07Å; T184-V214 HydrophobicContact CG2-CG1 3.88Å; V185-V214 PolarHBondContact N-O 3.2Å; V214-G236 WeakPolarHBondContact CA-O 3.49Å; V214-M238 HydrophobicContact CG1-CB 3.6Å
215A98.8Very high98.1Very high0 Ų040.5 Ų40.50%020%0.203CC..EExtended strand (participates in β ladder)trans-76.8138.4175.200000111.5I202 V228 T234 G236 V237 M238I202-A215 HydrophobicContact CD1-CB 4.24Å; I202-A215 HydrophobicContact CG2-CB 4.11Å; A215-V228 HydrophobicContact CB-CG1 3.69Å; A215-T234 HydrophobicContact CB-CG2 4.08Å; A215-G236 PolarHBondContact N-O 3.49Å; A215-V237 WeakPolarHBondContact O-CA 3.42Å; A215-M238 PolarHBondContact O-N 3.13Å
216N98.8Very high98.1Very high9 Ų944.2 Ų44.25%0.04822%0.221CC..EExtended strand (participates in β ladder)trans-141.9142.1175.7179.2-121.9000112.2K158 T184 V185 H186 G187 M238K158-N216 WeakPolarHBondContact CE-OD1 3.33Å; K158-N216 PolarHBondContact NZ-OD1 3.37Å; T184-N216 HydrophobicContact CG2-CB 3.95Å; V185-N216 PolarHBondContact O-N 2.92Å; H186-N216 WeakPolarHBondContact CA-O 3.11Å; H186-N216 HydrophobicContact CB-CB 4.49Å; H186-N216 PolarHBondContact CD2-OD1 3.35Å; G187-N216 PolarHBondContact N-O 3.1Å; N216-M238 HydrophobicContact CB-CB 4.2Å; N216-M238 PolarHBondContact ND2-O 3.18Å
217G96.6Very high98.1Very high5 Ų546.4 Ų46.45%0.05223%0.234CC..SBendtrans132.5137174.100000110.8Y199 I219Y199-G217 PolarHBondContact OH-O 3.19Å; G217-I219 WeakPolarHBondContact O-CG1 3.45Å; G217-I219 PolarHBondContact O-N 3.29Å
218D95.4Very high98.1Very high44 Ų4440.2 Ų40.224%0.23521%0.205CC..SBendtrans45.314.4169.2-76.826.7000121.4R188 V197 R241R188-D218 IonicContact CZ-OD1 2.79Å; R188-D218 VanDerWaalsContact CZ-OD1 3.26Å; R188-D218 IonicContact CZ-OD2 3.42Å; R188-D218 IonicContact NH1-OD1 3.72Å; R188-D218 PolarHBondContact NH1-OD1 3.12Å; R188-D218 IonicContact NH1-OD2 3.05Å; R188-D218 IonicContact NH2-OD1 3.77Å; R188-D218 PolarHBondContact NH2-OD1 3.2Å; R188-D218 IonicContact NH2-OD2 2.84Å; R188-D218 PolarHBondContact NH2-OD2 3.18Å; V197-D218 HydrophobicContact CG2-CB 3.79Å; D218-R241 IonicContact OD1-CZ 2.64Å; D218-R241 IonicContact OD1-NH2 3.53Å; D218-R241 PolarHBondContact OD1-NH2 3.48Å
219I97.9Very high98.1Very high7 Ų742.3 Ų42.34%0.03621%0.209CC..  trans-74.6129.4171.7-61.8158.8000110.8G217 E224 A225 V228 V237 V239 M249G217-I219 WeakPolarHBondContact O-CG1 3.45Å; G217-I219 PolarHBondContact O-N 3.29Å; I219-E224 HydrophobicContact CG2-CB 4.36Å; I219-A225 HydrophobicContact CG2-CB 3.6Å; I219-V228 HydrophobicContact CD1-CB 4.37Å; I219-V228 HydrophobicContact CD1-CG1 4.22Å; I219-V228 HydrophobicContact CD1-CG2 4.48Å; I219-V228 HydrophobicContact CG1-CB 4.48Å; I219-V228 HydrophobicContact CG1-CG2 4.1Å; I219-V237 HydrophobicContact CD1-CB 4.04Å; I219-V237 HydrophobicContact CD1-CG1 4.32Å; I219-V239 HydrophobicContact CB-CG2 3.94Å; I219-V239 HydrophobicContact CD1-CG2 4.31Å; I219-V239 HydrophobicContact CG2-CG2 3.65Å; I219-V239 WeakPolarHBondContact O-CG1 3.25Å; I219-M249 HydrophobicContact CG2-CE 4.04Å
220R96.2Very high98.1Very high153 Ų15348.2 Ų48.258%0.57724%0.236SC*.  trans-122.8-19.3-173.2-59.1172.2-177.9173.31.4115.4E224R220-E224 VanDerWaalsContact CB-OE2 3.31Å; R220-E224 WeakPolarHBondContact CB-OE2 3.38Å; R220-E224 PolarHBondContact N-OE2 2.95Å
221N97.4Very high98Very high29 Ų2947.4 Ų47.416%0.15522%0.221CC..SBendtrans-147.7172.517856.652.3000110.1K223 E224 A225N221-K223 PolarHBondContact O-N 3.43Å; N221-K223 PolarHBondContact OD1-N 3.42Å; N221-E224 PolarHBondContact ND2-OE1 3.01Å; N221-E224 PolarHBondContact O-N 3Å; N221-E224 WeakPolarHBondContact OD1-CB 3.34Å; N221-E224 WeakPolarHBondContact OD1-CG 3.42Å; N221-E224 PolarHBondContact OD1-N 3.35Å; N221-A225 PolarHBondContact O-N 3.13Å; N221-A225 VanDerWaalsContact O-N 3.13Å
222L98.4Very high98Very high37 Ų3746.2 Ų46.219%0.19422%0.215CC..Hα-helixtrans-61.9-42.2-178.3-177.858.5000112.2M27 E224 A225 E226 M249 F250M27-L222 HydrophobicContact CE-CD1 4.08Å; L222-E224 PolarHBondContact O-N 3.23Å; L222-A225 CarbonylContact O-C 3.24Å; L222-A225 WeakPolarHBondContact O-CA 3.45Å; L222-A225 VanDerWaalsContact O-CB 3.25Å; L222-A225 WeakPolarHBondContact O-CB 3.39Å; L222-A225 PolarHBondContact O-N 3.13Å; L222-E226 HydrophobicContact CD1-CG 4.31Å; L222-E226 HydrophobicContact CG-CG 4.38Å; L222-E226 WeakPolarHBondContact O-CG 3.46Å; L222-E226 PolarHBondContact O-N 3.2Å; L222-M249 WeakPolarHBondContact CB-O 3.39Å; L222-F250 HydrophobicContact CD1-CD1 4.44Å
223K98.3Very high98Very high136 Ų13647.7 Ų47.759%0.59123%0.233SC*.Hα-helixtrans-60.5-43.7-180-175178.7-177.6177.30112.4N221 A225 E226 N227N221-K223 PolarHBondContact O-N 3.43Å; N221-K223 PolarHBondContact OD1-N 3.42Å; K223-A225 VanDerWaalsContact C-N 3.3Å; K223-A225 PolarHBondContact O-N 3.47Å; K223-E226 PolarHBondContact O-N 2.79Å; K223-N227 WeakPolarHBondContact O-CB 3.37Å; K223-N227 PolarHBondContact O-N 3.44Å; K223-N227 PolarHBondContact O-ND2 3.26Å
224E98.1Very high98Very high64 Ų6447.8 Ų47.830%0.29923%0.234SC..Hα-helixtrans-62.8-38.9173.5-76.1175.5-162.900111.6I219 R220 N221 L222 N227 V228I219-E224 HydrophobicContact CG2-CB 4.36Å; R220-E224 VanDerWaalsContact CB-OE2 3.31Å; R220-E224 WeakPolarHBondContact CB-OE2 3.38Å; R220-E224 PolarHBondContact N-OE2 2.95Å; N221-E224 PolarHBondContact ND2-OE1 3.01Å; N221-E224 PolarHBondContact O-N 3Å; N221-E224 WeakPolarHBondContact OD1-CB 3.34Å; N221-E224 WeakPolarHBondContact OD1-CG 3.42Å; N221-E224 PolarHBondContact OD1-N 3.35Å; L222-E224 PolarHBondContact O-N 3.23Å; E224-N227 PolarHBondContact O-N 3.32Å; E224-V228 WeakPolarHBondContact O-CB 3.46Å; E224-V228 VanDerWaalsContact O-CG2 3.3Å; E224-V228 WeakPolarHBondContact O-CG2 3.43Å; E224-V228 PolarHBondContact O-N 3.07Å
225A98.5Very high98Very high0 Ų049.4 Ų49.40%024%0.242CC..Hα-helixtrans-63.1-47177.300000111.2M27 I219 N221 L222 K223 V228 W229 V237 F250M27-A225 HydrophobicContact CE-CB 4.27Å; M27-A225 HydrophobicContact SD-CB 4.37Å; I219-A225 HydrophobicContact CG2-CB 3.6Å; N221-A225 PolarHBondContact O-N 3.13Å; N221-A225 VanDerWaalsContact O-N 3.13Å; L222-A225 CarbonylContact O-C 3.24Å; L222-A225 WeakPolarHBondContact O-CA 3.45Å; L222-A225 VanDerWaalsContact O-CB 3.25Å; L222-A225 WeakPolarHBondContact O-CB 3.39Å; L222-A225 PolarHBondContact O-N 3.13Å; K223-A225 VanDerWaalsContact C-N 3.3Å; K223-A225 PolarHBondContact O-N 3.47Å; A225-V228 PolarHBondContact O-N 3.49Å; A225-W229 WeakPolarHBondContact O-CB 3.11Å; A225-W229 PolarHBondContact O-N 2.81Å; A225-V237 HydrophobicContact CB-CG2 3.98Å; A225-F250 HydrophobicContact CB-CE1 4.49Å
226E98.5Very high97.9Very high78 Ų7849.4 Ų49.436%0.36424%0.242SC..Hα-helixtrans-61.7-43.7175.8-70.6171.8166.500111.9M27 L222 K223 W229 Q230M27-E226 HydrophobicContact CE-CG 4.07Å; L222-E226 HydrophobicContact CD1-CG 4.31Å; L222-E226 HydrophobicContact CG-CG 4.38Å; L222-E226 WeakPolarHBondContact O-CG 3.46Å; L222-E226 PolarHBondContact O-N 3.2Å; K223-E226 PolarHBondContact O-N 2.79Å; E226-W229 PolarHBondContact O-N 2.78Å; E226-Q230 WeakPolarHBondContact O-CB 3.4Å; E226-Q230 VanDerWaalsContact O-CG 3.27Å; E226-Q230 WeakPolarHBondContact O-CG 3.12Å; E226-Q230 PolarHBondContact O-N 3.41Å
227N98.4Very high97.9Very high81 Ų8149 Ų4943%0.43324%0.24SC..Hα-helixtrans-60.9-46.7176.4-72.2-19.4000111.6K223 E224 W229 Q230 M231K223-N227 WeakPolarHBondContact O-CB 3.37Å; K223-N227 PolarHBondContact O-N 3.44Å; K223-N227 PolarHBondContact O-ND2 3.26Å; E224-N227 PolarHBondContact O-N 3.32Å; N227-W229 VanDerWaalsContact C-N 3.34Å; N227-Q230 PolarHBondContact O-N 3.42Å; N227-M231 WeakPolarHBondContact O-CB 3.43Å; N227-M231 VanDerWaalsContact O-CG 3.31Å; N227-M231 WeakPolarHBondContact O-CG 3.26Å; N227-M231 PolarHBondContact O-N 3.4Å
228V98.4Very high98.1Very high7 Ų748.8 Ų48.84%0.04224%0.238CC..Hα-helixtrans-62.8-43.7178168.50000110.6Y199 A215 I219 E224 A225 M231 S232Y199-V228 HydrophobicContact CD1-CB 4.47Å; Y199-V228 HydrophobicContact CD1-CG1 3.64Å; Y199-V228 HydrophobicContact CD1-CG2 4.02Å; Y199-V228 HydrophobicContact CD2-CG2 4.28Å; Y199-V228 HydrophobicContact CE1-CB 4.25Å; Y199-V228 HydrophobicContact CE1-CG1 3.57Å; Y199-V228 HydrophobicContact CE1-CG2 3.56Å; Y199-V228 HydrophobicContact CE2-CG2 3.81Å; Y199-V228 HydrophobicContact CG-CG1 4.47Å; Y199-V228 HydrophobicContact CG-CG2 4.37Å; Y199-V228 VanDerWaalsContact CZ-CG2 3.42Å; A215-V228 HydrophobicContact CB-CG1 3.69Å; I219-V228 HydrophobicContact CD1-CB 4.37Å; I219-V228 HydrophobicContact CD1-CG1 4.22Å; I219-V228 HydrophobicContact CD1-CG2 4.48Å; I219-V228 HydrophobicContact CG1-CB 4.48Å; I219-V228 HydrophobicContact CG1-CG2 4.1Å; E224-V228 WeakPolarHBondContact O-CB 3.46Å; E224-V228 VanDerWaalsContact O-CG2 3.3Å; E224-V228 WeakPolarHBondContact O-CG2 3.43Å; E224-V228 PolarHBondContact O-N 3.07Å; A225-V228 PolarHBondContact O-N 3.49Å; V228-M231 WeakPolarHBondContact O-CG 3.41Å; V228-S232 VanDerWaalsContact O-CB 3.25Å; V228-S232 WeakPolarHBondContact O-CB 3.47Å; V228-S232 PolarHBondContact O-N 2.73Å; V228-S232 PolarHBondContact O-OG 2.8Å
229W98.6Very high98.2Very high72 Ų7246.8 Ų46.827%0.27323%0.227SC..Hα-helixtrans-60.1-51.4177.417661.8000111.9M27 A225 E226 N227 M231 S232 G233 T234 V237M27-W229 HydrophobicContact CB-CD2 3.55Å; M27-W229 HydrophobicContact CB-CE3 4Å; M27-W229 HydrophobicContact CB-CG 3.78Å; M27-W229 HydrophobicContact CB-CZ2 4.16Å; M27-W229 HydrophobicContact CB-CZ3 4.47Å; M27-W229 HydrophobicContact CG-CB 3.93Å; M27-W229 HydrophobicContact CG-CD2 3.93Å; M27-W229 HydrophobicContact CG-CG 3.57Å; M27-W229 HydrophobicContact SD-CB 3.42Å; M27-W229 WeakPolarHBondContact SD-CB 3.41Å; M27-W229 HydrophobicContact SD-CD2 4.16Å; M27-W229 HydrophobicContact SD-CE3 4.46Å; M27-W229 HydrophobicContact SD-CG 3.71Å; A225-W229 WeakPolarHBondContact O-CB 3.11Å; A225-W229 PolarHBondContact O-N 2.81Å; E226-W229 PolarHBondContact O-N 2.78Å; N227-W229 VanDerWaalsContact C-N 3.34Å; W229-M231 PolarHBondContact O-N 2.98Å; W229-S232 PolarHBondContact O-N 3.32Å; W229-G233 PolarHBondContact O-N 2.85Å; W229-T234 PolarHBondContact NE1-O 3.45Å; W229-V237 HydrophobicContact CB-CG1 3.95Å
230Q98.2Very high98.2Very high135 Ų13547.8 Ų47.863%0.63124%0.237SC*.Hα-helixtrans-61.8-45179.3-72.2174.56.300112.4E226 N227E226-Q230 WeakPolarHBondContact O-CB 3.4Å; E226-Q230 VanDerWaalsContact O-CG 3.27Å; E226-Q230 WeakPolarHBondContact O-CG 3.12Å; E226-Q230 PolarHBondContact O-N 3.41Å; N227-Q230 PolarHBondContact O-N 3.42Å
231M97.8Very high98.2Very high96 Ų9647.3 Ų47.347%0.47324%0.235SC..Hα-helixtrans-71.8-34-17776.6-179.1-63.700112.9Y199 N227 V228 W229Y199-M231 HydrophobicContact CD2-SD 4.21Å; Y199-M231 HydrophobicContact CG-SD 4.23Å; N227-M231 WeakPolarHBondContact O-CB 3.43Å; N227-M231 VanDerWaalsContact O-CG 3.31Å; N227-M231 WeakPolarHBondContact O-CG 3.26Å; N227-M231 PolarHBondContact O-N 3.4Å; V228-M231 WeakPolarHBondContact O-CG 3.41Å; W229-M231 PolarHBondContact O-N 2.98Å
232S97.9Very high98.2Very high2 Ų246.2 Ų46.21%0.01423%0.23CC..Hα-helixtrans-90.8-16.6-176.165.10000113.8V228 W229 T234V228-S232 VanDerWaalsContact O-CB 3.25Å; V228-S232 WeakPolarHBondContact O-CB 3.47Å; V228-S232 PolarHBondContact O-N 2.73Å; V228-S232 PolarHBondContact O-OG 2.8Å; W229-S232 PolarHBondContact O-N 3.32Å; S232-T234 PolarHBondContact O-N 3.09Å; S232-T234 WeakPolarHBondContact OG-CG2 3.49Å; S232-T234 PolarHBondContact OG-OG1 2.92Å
233G97.9Very high98.2Very high46 Ų4644.5 Ų44.547%0.47422%0.221SC..THydrogen-bonded Turntrans63.717.8-175.500000113.7K206 W229K206-G233 WeakPolarHBondContact CG-O 3.19Å; W229-G233 PolarHBondContact O-N 2.85Å
234T98.5Very high98.2Very high3 Ų338.4 Ų38.42%0.01820%0.195CC..  trans-70.6162.618046.90000111.8I202 K206 V213 A215 W229 S232 G236I202-T234 HydrophobicContact CG2-CG2 3.64Å; K206-T234 HydrophobicContact CB-CG2 4.24Å; K206-T234 HydrophobicContact CG-CG2 4.47Å; V213-T234 HydrophobicContact CB-CG2 4.31Å; V213-T234 HydrophobicContact CG1-CG2 4.03Å; V213-T234 VanDerWaalsContact O-CB 3.22Å; V213-T234 WeakPolarHBondContact O-CB 3.39Å; A215-T234 HydrophobicContact CB-CG2 4.08Å; W229-T234 PolarHBondContact NE1-O 3.45Å; S232-T234 PolarHBondContact O-N 3.09Å; S232-T234 WeakPolarHBondContact OG-CG2 3.49Å; S232-T234 PolarHBondContact OG-OG1 2.92Å; T234-G236 VanDerWaalsContact C-N 3.33Å; T234-G236 PolarHBondContact OG1-O 2.81Å
235D98.5Very high98.2Very high34 Ų3436.7 Ų36.718%0.18219%0.192CC..SBendtrans-88.1-10.6-176.6-45.8-100.1000111.8F22 V28 K206 P212 V213F22-D235 HydrophobicContact CB-CB 4.36Å; F22-D235 HydrophobicContact CD1-CB 3.65Å; F22-D235 HydrophobicContact CE1-CB 4.38Å; F22-D235 HydrophobicContact CG-CB 4.36Å; V28-D235 PolarHBondContact N-O 2.97Å; K206-D235 WeakPolarHBondContact CE-OD2 3.5Å; K206-D235 VanDerWaalsContact NZ-CG 3.27Å; K206-D235 IonicContact NZ-OD1 2.76Å; K206-D235 PolarHBondContact NZ-OD1 3.34Å; K206-D235 IonicContact NZ-OD2 2.96Å; K206-D235 PolarHBondContact NZ-OD2 2.91Å; P212-D235 WeakPolarHBondContact CA-OD2 3.48Å; P212-D235 HydrophobicContact CB-CB 3.93Å; V213-D235 PolarHBondContact N-OD2 3.29Å; V213-D235 PolarHBondContact O-N 3.06Å
236G98.6Very high98.2Very high0 Ų036.9 Ų36.90%019%0.193CC..EExtended strand (participates in β ladder)trans-171.2172.4176.800000113V28 V214 A215 T234V28-G236 CarbonylContact O-C 3.11Å; V28-G236 WeakPolarHBondContact O-CA 3.44Å; V214-G236 WeakPolarHBondContact CA-O 3.49Å; A215-G236 PolarHBondContact N-O 3.49Å; T234-G236 VanDerWaalsContact C-N 3.33Å; T234-G236 PolarHBondContact OG1-O 2.81Å
237V98.8Very high98.2Very high0 Ų033.1 Ų33.10%018%0.176CC..EExtended strand (participates in β ladder)trans-127.2129.5-179.4-650000109.8M27 V28 I30 A215 I219 A225 W229 F250M27-V237 HydrophobicContact CE-CG2 4.14Å; M27-V237 HydrophobicContact CG-CG1 4.22Å; M27-V237 HydrophobicContact CG-CG2 3.84Å; M27-V237 HydrophobicContact SD-CB 4.32Å; M27-V237 HydrophobicContact SD-CG1 3.83Å; M27-V237 HydrophobicContact SD-CG2 3.5Å; M27-V237 WeakPolarHBondContact SD-CG2 3.38Å; V28-V237 PolarHBondContact O-N 2.96Å; I30-V237 WeakPolarHBondContact CB-O 3.47Å; I30-V237 PolarHBondContact N-O 2.87Å; A215-V237 WeakPolarHBondContact O-CA 3.42Å; I219-V237 HydrophobicContact CD1-CB 4.04Å; I219-V237 HydrophobicContact CD1-CG1 4.32Å; A225-V237 HydrophobicContact CB-CG2 3.98Å; W229-V237 HydrophobicContact CB-CG1 3.95Å; V237-F250 HydrophobicContact CG2-CE1 4.26Å
238M98.9Very high98.2Very high0 Ų029.3 Ų29.30%016%0.155CC..EExtended strand (participates in β ladder)trans-105.2126.8176.1177.6-176.7-70.300110.1I30 A32 Y55 K158 T184 V214 A215 N216I30-M238 HydrophobicContact CB-CB 4.08Å; I30-M238 HydrophobicContact CB-CG 4.4Å; I30-M238 HydrophobicContact CG2-CB 4.28Å; I30-M238 HydrophobicContact CG2-CE 3.72Å; I30-M238 HydrophobicContact CG2-CG 4.17Å; I30-M238 WeakPolarHBondContact O-CA 3.36Å; A32-M238 HydrophobicContact CB-CG 3.49Å; A32-M238 VanDerWaalsContact CB-CG 3.49Å; A32-M238 HydrophobicContact CB-SD 3.7Å; Y55-M238 HydrophobicContact CD1-CE 4.44Å; Y55-M238 HydrophobicContact CD2-CE 3.93Å; Y55-M238 HydrophobicContact CE1-CE 4.09Å; Y55-M238 HydrophobicContact CE2-CE 3.59Å; Y55-M238 HydrophobicContact CG-CE 4.37Å; K158-M238 HydrophobicContact CD-SD 3.97Å; K158-M238 WeakPolarHBondContact CE-SD 3.39Å; T184-M238 HydrophobicContact CG2-CB 4.2Å; T184-M238 HydrophobicContact CG2-CE 3.81Å; T184-M238 HydrophobicContact CG2-SD 3.72Å; V214-M238 HydrophobicContact CG1-CB 3.6Å; A215-M238 PolarHBondContact O-N 3.13Å; N216-M238 HydrophobicContact CB-CB 4.2Å; N216-M238 PolarHBondContact ND2-O 3.18Å
239V98.8Very high98.2Very high3 Ų329 Ų292%0.01815%0.153CC..EExtended strand (participates in β ladder)trans-119.8136.4-177-174.80000110.6I30 A32 I219 L243 M249 F250I30-V239 PolarHBondContact O-N 3.35Å; A32-V239 WeakPolarHBondContact CB-O 3.5Å; A32-V239 PolarHBondContact N-O 2.9Å; I219-V239 HydrophobicContact CB-CG2 3.94Å; I219-V239 HydrophobicContact CD1-CG2 4.31Å; I219-V239 HydrophobicContact CG2-CG2 3.65Å; I219-V239 WeakPolarHBondContact O-CG1 3.25Å; V239-L243 HydrophobicContact CB-CD1 4.14Å; V239-L243 HydrophobicContact CB-CG 4.13Å; V239-L243 HydrophobicContact CG1-CG 4.06Å; V239-L243 WeakPolarHBondContact O-CD1 3.42Å; V239-M249 HydrophobicContact CG1-CE 3.99Å; V239-M249 HydrophobicContact CG1-SD 3.76Å; V239-M249 HydrophobicContact CG2-CE 4.16Å; V239-F250 HydrophobicContact CB-CZ 4.01Å; V239-F250 HydrophobicContact CG2-CE1 3.91Å; V239-F250 HydrophobicContact CG2-CZ 3.56Å
240A97.4Very high98.2Very high28 Ų2825.8 Ų25.823%0.23114%0.141CC..SBendtrans-112.6-90.1177.800000110.5A32 M34 G242 L243 L244A32-A240 HydrophobicContact CB-CB 3.67Å; M34-A240 HydrophobicContact CG-CB 4.09Å; M34-A240 HydrophobicContact SD-CB 3.77Å; A240-G242 VanDerWaalsContact C-N 3.26Å; A240-G242 PolarHBondContact O-N 2.95Å; A240-L243 PolarHBondContact O-N 2.88Å; A240-L244 PolarHBondContact O-N 3.46Å
241R96.8Very high98.2Very high143 Ų14321.2 Ų21.254%0.5413%0.126SC..Hα-helixtrans-57.8-33.2-176.4-72.3172.8-70.2161.35.8113.9D218 L243 L244 A245D218-R241 IonicContact OD1-CZ 2.64Å; D218-R241 IonicContact OD1-NH2 3.53Å; D218-R241 PolarHBondContact OD1-NH2 3.48Å; R241-L243 VanDerWaalsContact C-N 3.33Å; R241-L243 PolarHBondContact O-N 3.48Å; R241-L244 PolarHBondContact O-N 3.04Å; R241-A245 PolarHBondContact O-N 3.11Å
242G97.7Very high98.2Very high6 Ų618.6 Ų18.66%0.06212%0.124CC..Hα-helixtrans-57-45.217400000112.4A240 A245 N246A240-G242 VanDerWaalsContact C-N 3.26Å; A240-G242 PolarHBondContact O-N 2.95Å; G242-A245 PolarHBondContact O-N 2.94Å; G242-N246 PolarHBondContact O-N 3.46Å
243L98.5Very high98.2Very high0 Ų023.8 Ų23.80%014%0.144CC..Hα-helixtrans-70.1-32.5177.6-75.1170.3000112.8C31 F42 V46 V239 A240 R241 A245 N246 P247 M249 F250C31-L243 HydrophobicContact CB-CD1 3.82Å; F42-L243 HydrophobicContact CE1-CB 4.4Å; F42-L243 HydrophobicContact CZ-CB 4.09Å; F42-L243 WeakPolarHBondContact CZ-O 3.41Å; V46-L243 HydrophobicContact CB-CD2 4.49Å; V46-L243 HydrophobicContact CG1-CD2 4.08Å; V239-L243 HydrophobicContact CB-CD1 4.14Å; V239-L243 HydrophobicContact CB-CG 4.13Å; V239-L243 HydrophobicContact CG1-CG 4.06Å; V239-L243 WeakPolarHBondContact O-CD1 3.42Å; A240-L243 PolarHBondContact O-N 2.88Å; R241-L243 VanDerWaalsContact C-N 3.33Å; R241-L243 PolarHBondContact O-N 3.48Å; L243-A245 VanDerWaalsContact C-N 3.34Å; L243-N246 CarbonylContact O-C 3.39Å; L243-N246 VanDerWaalsContact O-C 3.24Å; L243-P247 VanDerWaalsContact O-CA 3.3Å; L243-P247 WeakPolarHBondContact O-CA 3.45Å; L243-P247 WeakPolarHBondContact O-CD 3.39Å; L243-P247 WeakPolarHBondContact O-CG 3.4Å; L243-M249 HydrophobicContact CD2-CG 3.73Å; L243-M249 HydrophobicContact CD2-SD 4.11Å; L243-M249 HydrophobicContact CG-CG 4.41Å; L243-M249 HydrophobicContact CG-SD 4.14Å; L243-F250 HydrophobicContact CD1-CE2 3.91Å; L243-F250 HydrophobicContact CD2-CD2 3.85Å; L243-F250 HydrophobicContact CD2-CE2 4.01Å; L243-F250 HydrophobicContact CG-CE2 4.3Å
244L97.9Very high98Very high9 Ų927.4 Ų27.45%0.04715%0.148CC..Hα-helixtrans-63.8-43.4173.6-65.2178000111M34 Y37 F42 A240 R241 Y284M34-L244 HydrophobicContact CE-CD2 3.96Å; M34-L244 HydrophobicContact CE-CG 4.17Å; M34-L244 HydrophobicContact SD-CD1 3.77Å; M34-L244 HydrophobicContact SD-CD2 4.03Å; M34-L244 HydrophobicContact SD-CG 3.74Å; Y37-L244 HydrophobicContact CD1-CD2 4.36Å; Y37-L244 HydrophobicContact CD2-CD1 4.28Å; Y37-L244 HydrophobicContact CG-CD1 4.28Å; Y37-L244 HydrophobicContact CG-CD2 4.05Å; F42-L244 HydrophobicContact CE1-CD2 4.21Å; F42-L244 HydrophobicContact CE2-CD2 4.34Å; F42-L244 HydrophobicContact CZ-CD2 3.93Å; A240-L244 PolarHBondContact O-N 3.46Å; R241-L244 PolarHBondContact O-N 3.04Å; L244-Y284 HydrophobicContact CB-CD2 4.14Å; L244-Y284 HydrophobicContact CB-CG 4.16Å; L244-Y284 HydrophobicContact CD1-CD2 4.45Å; L244-Y284 HydrophobicContact CD1-CE2 4.24Å; L244-Y284 WeakPolarHBondContact O-CB 3.37Å
245A97.9Very high97.9Very high28 Ų2832 Ų3223%0.23117%0.17CC..Hα-helixtrans-72.5-34.617900000112.6R241 G242 L243 T256R241-A245 PolarHBondContact O-N 3.11Å; G242-A245 PolarHBondContact O-N 2.94Å; L243-A245 VanDerWaalsContact C-N 3.34Å; A245-T256 PolarHBondContact O-OG1 2.99Å
246N98.4Very high97.8Very high3 Ų330.7 Ų30.72%0.01616%0.163CC..  trans-147.794.5177.6-178.53.1000111.2G242 L243 A248 M249 Y253 E255 T256G242-N246 PolarHBondContact O-N 3.46Å; L243-N246 CarbonylContact O-C 3.39Å; L243-N246 VanDerWaalsContact O-C 3.24Å; N246-A248 PolarHBondContact O-N 2.62Å; N246-A248 VanDerWaalsContact O-N 3.13Å; N246-A248 WeakPolarHBondContact OD1-CA 3.47Å; N246-A248 WeakPolarHBondContact OD1-CB 3.3Å; N246-A248 PolarHBondContact OD1-N 3Å; N246-M249 HydrophobicContact CB-CB 4.27Å; N246-M249 WeakPolarHBondContact O-CB 3.33Å; N246-M249 VanDerWaalsContact O-CG 3.28Å; N246-M249 WeakPolarHBondContact O-CG 3.34Å; N246-M249 PolarHBondContact O-N 3.41Å; N246-M249 VanDerWaalsContact O-N 3.1Å; N246-M249 PolarHBondContact OD1-N 2.95Å; N246-Y253 PolarHBondContact ND2-O 3.09Å; N246-E255 PolarHBondContact ND2-N 3.02Å; N246-E255 PolarHBondContact ND2-O 3.38Å; N246-T256 WeakPolarHBondContact CA-OG1 3.3Å
247P98.6Very high97.7Very high0 Ų032 Ų320%017%0.172CC..THydrogen-bonded Turntrans-62.8-20.1177.8-19.329.3000113F42 L45 V46 L243 M285F42-P247 HydrophobicContact CE2-CB 4.33Å; F42-P247 HydrophobicContact CE2-CG 4.06Å; L45-P247 HydrophobicContact CD2-CB 3.63Å; L45-P247 HydrophobicContact CD2-CG 3.69Å; L45-P247 HydrophobicContact CG-CB 4.06Å; V46-P247 HydrophobicContact CG1-CB 4.04Å; L243-P247 VanDerWaalsContact O-CA 3.3Å; L243-P247 WeakPolarHBondContact O-CA 3.45Å; L243-P247 WeakPolarHBondContact O-CD 3.39Å; L243-P247 WeakPolarHBondContact O-CG 3.4Å; P247-M285 HydrophobicContact CG-CE 3.59Å; P247-M285 HydrophobicContact CG-CG 3.82Å; P247-M285 HydrophobicContact CG-SD 3.91Å
248A98.4Very high97.6Very high0 Ų035.6 Ų35.60%019%0.191CC..THydrogen-bonded Turntrans-90.42.4179.800000113.9Y49 N246 F250 A251 Y253 P257 C260Y49-A248 HydrophobicContact CD1-CB 3.59Å; Y49-A248 HydrophobicContact CD2-CB 4.4Å; Y49-A248 HydrophobicContact CE1-CB 4.04Å; Y49-A248 HydrophobicContact CG-CB 3.81Å; N246-A248 PolarHBondContact O-N 2.62Å; N246-A248 VanDerWaalsContact O-N 3.13Å; N246-A248 WeakPolarHBondContact OD1-CA 3.47Å; N246-A248 WeakPolarHBondContact OD1-CB 3.3Å; N246-A248 PolarHBondContact OD1-N 3Å; A248-F250 VanDerWaalsContact C-N 3.26Å; A248-F250 PolarHBondContact O-N 3.19Å; A248-A251 WeakPolarHBondContact O-CB 3.28Å; A248-A251 PolarHBondContact O-N 3.4Å; A248-Y253 HydrophobicContact CB-CD2 3.67Å; A248-Y253 HydrophobicContact CB-CE2 4.38Å; A248-Y253 HydrophobicContact CB-CG 4.02Å; A248-Y253 WeakPolarHBondContact O-CD2 3.46Å; A248-P257 HydrophobicContact CB-CG 3.97Å; A248-C260 HydrophobicContact CB-CB 4.44Å
249M98.3Very high97.5Very high0 Ų042.9 Ų42.90%022%0.222CC..G310 helixtrans-57.9-36.7-173.665.8175.1-81.100113.3I219 L222 V239 L243 N246 A251 G252I219-M249 HydrophobicContact CG2-CE 4.04Å; L222-M249 WeakPolarHBondContact CB-O 3.39Å; V239-M249 HydrophobicContact CG1-CE 3.99Å; V239-M249 HydrophobicContact CG1-SD 3.76Å; V239-M249 HydrophobicContact CG2-CE 4.16Å; L243-M249 HydrophobicContact CD2-CG 3.73Å; L243-M249 HydrophobicContact CD2-SD 4.11Å; L243-M249 HydrophobicContact CG-CG 4.41Å; L243-M249 HydrophobicContact CG-SD 4.14Å; N246-M249 HydrophobicContact CB-CB 4.27Å; N246-M249 WeakPolarHBondContact O-CB 3.33Å; N246-M249 VanDerWaalsContact O-CG 3.28Å; N246-M249 WeakPolarHBondContact O-CG 3.34Å; N246-M249 PolarHBondContact O-N 3.41Å; N246-M249 VanDerWaalsContact O-N 3.1Å; N246-M249 PolarHBondContact OD1-N 2.95Å; M249-A251 PolarHBondContact O-N 2.84Å; M249-G252 PolarHBondContact O-N 3.45Å
250F98.6Very high97.4Very high5 Ų542.8 Ų42.82%0.02222%0.221CC..G310 helixtrans-72.1-14.9179.5-77.3-37.8000114K29 Y49 C51 L222 A225 V237 V239 L243 A248 G252K29-F250 HydrophobicContact CB-CD1 3.84Å; K29-F250 HydrophobicContact CB-CD2 3.83Å; K29-F250 HydrophobicContact CB-CE1 3.78Å; K29-F250 HydrophobicContact CB-CE2 3.75Å; K29-F250 HydrophobicContact CB-CG 3.87Å; K29-F250 HydrophobicContact CB-CZ 3.73Å; K29-F250 HydrophobicContact CD-CB 4.06Å; K29-F250 HydrophobicContact CD-CD1 3.82Å; K29-F250 HydrophobicContact CD-CE1 4.44Å; K29-F250 HydrophobicContact CD-CG 3.99Å; K29-F250 HydrophobicContact CG-CD1 3.73Å; K29-F250 HydrophobicContact CG-CE1 3.84Å; K29-F250 HydrophobicContact CG-CG 4.13Å; K29-F250 HydrophobicContact CG-CZ 4.31Å; Y49-F250 WeakPolarHBondContact O-CB 3.07Å; C51-F250 HydrophobicContact CB-CD2 3.97Å; C51-F250 HydrophobicContact CB-CE2 4.47Å; L222-F250 HydrophobicContact CD1-CD1 4.44Å; A225-F250 HydrophobicContact CB-CE1 4.49Å; V237-F250 HydrophobicContact CG2-CE1 4.26Å; V239-F250 HydrophobicContact CB-CZ 4.01Å; V239-F250 HydrophobicContact CG2-CE1 3.91Å; V239-F250 HydrophobicContact CG2-CZ 3.56Å; L243-F250 HydrophobicContact CD1-CE2 3.91Å; L243-F250 HydrophobicContact CD2-CD2 3.85Å; L243-F250 HydrophobicContact CD2-CE2 4.01Å; L243-F250 HydrophobicContact CG-CE2 4.3Å; A248-F250 VanDerWaalsContact C-N 3.26Å; A248-F250 PolarHBondContact O-N 3.19Å; F250-G252 VanDerWaalsContact C-N 3.29Å
251A98.3Very high97.5Very high39 Ų3941.5 Ų41.532%0.32221%0.211SC..G310 helixtrans-896.8169.900000112.7Y49 A248 M249 Y253Y49-A251 HydrophobicContact CD1-CB 4.27Å; Y49-A251 PolarHBondContact O-N 2.86Å; A248-A251 WeakPolarHBondContact O-CB 3.28Å; A248-A251 PolarHBondContact O-N 3.4Å; M249-A251 PolarHBondContact O-N 2.84Å; A251-Y253 HydrophobicContact CB-CD2 3.84Å; A251-Y253 HydrophobicContact CB-CE2 3.84Å
252G97.6Very high97.5Very high41 Ų4138 Ų3842%0.42320%0.198SC..THydrogen-bonded Turntrans89.610174.300000114.9M249 F250M249-G252 PolarHBondContact O-N 3.45Å; F250-G252 VanDerWaalsContact C-N 3.29Å
253Y97.8Very high97.6Very high112 Ų11238.9 Ų38.944%0.43920%0.201SC..  trans-79.2134.3175.6-65.8-93.7000111Y49 N246 A248 A251 E255 P257Y49-Y253 HydrophobicContact CD1-CE2 4.42Å; N246-Y253 PolarHBondContact ND2-O 3.09Å; A248-Y253 HydrophobicContact CB-CD2 3.67Å; A248-Y253 HydrophobicContact CB-CE2 4.38Å; A248-Y253 HydrophobicContact CB-CG 4.02Å; A248-Y253 WeakPolarHBondContact O-CD2 3.46Å; A251-Y253 HydrophobicContact CB-CD2 3.84Å; A251-Y253 HydrophobicContact CB-CE2 3.84Å; Y253-E255 WeakPolarHBondContact CB-O 3.48Å; Y253-P257 HydrophobicContact CD1-CB 3.93Å; Y253-P257 HydrophobicContact CD1-CG 3.76Å; Y253-P257 HydrophobicContact CD2-CG 4.45Å; Y253-P257 HydrophobicContact CE1-CB 3.91Å; Y253-P257 HydrophobicContact CE1-CG 3.85Å; Y253-P257 HydrophobicContact CG-CG 4.08Å
254E94.1Very high97.6Very high121 Ų12139 Ų3957%0.56520%0.201SC*.SBendtrans-75-31.1176.3-68.2-60.2148.300112.8
255E95.4Very high97.6Very high100 Ų10038.7 Ų38.747%0.46720%0.2SC..SBendtrans-134.2164178.1-58.9-172.6160.800110.2N246 Y253 P257 K288N246-E255 PolarHBondContact ND2-N 3.02Å; N246-E255 PolarHBondContact ND2-O 3.38Å; Y253-E255 WeakPolarHBondContact CB-O 3.48Å; E255-P257 VanDerWaalsContact O-CD 3.22Å; E255-P257 WeakPolarHBondContact O-CD 3.4Å; E255-K288 HydrophobicContact CG-CB 4.21Å; E255-K288 HydrophobicContact CG-CD 4.05Å
256T97.3Very high97.6Very high6 Ų641.9 Ų41.94%0.03721%0.213CC..  trans-66.5115.9178.8-49.90000109.6A245 N246 C260 I261 M285 I289A245-T256 PolarHBondContact O-OG1 2.99Å; N246-T256 WeakPolarHBondContact CA-OG1 3.3Å; T256-C260 HydrophobicContact CG2-CB 3.73Å; T256-I261 HydrophobicContact CG2-CD1 3.61Å; T256-I261 HydrophobicContact CG2-CG1 4.07Å; T256-M285 HydrophobicContact CG2-CB 4.11Å; T256-M285 HydrophobicContact CG2-CG 4.44Å; T256-M285 PolarHBondContact OG1-O 3.13Å; T256-I289 VanDerWaalsContact O-CD1 3.26Å; T256-I289 WeakPolarHBondContact O-CD1 3.4Å
257P96.5Very high97.6Very high28 Ų2842.1 Ų42.118%0.18221%0.214CC..  trans-67.7147.2176.828.2-32.7000109.7A248 Y253 E255 K259 C260 I261A248-P257 HydrophobicContact CB-CG 3.97Å; Y253-P257 HydrophobicContact CD1-CB 3.93Å; Y253-P257 HydrophobicContact CD1-CG 3.76Å; Y253-P257 HydrophobicContact CD2-CG 4.45Å; Y253-P257 HydrophobicContact CE1-CB 3.91Å; Y253-P257 HydrophobicContact CE1-CG 3.85Å; Y253-P257 HydrophobicContact CG-CG 4.08Å; E255-P257 VanDerWaalsContact O-CD 3.22Å; E255-P257 WeakPolarHBondContact O-CD 3.4Å; P257-K259 PolarHBondContact O-N 3.31Å; P257-K259 VanDerWaalsContact O-N 3.09Å; P257-C260 HydrophobicContact CG-CB 3.68Å; P257-C260 WeakPolarHBondContact O-CA 3.31Å; P257-C260 VanDerWaalsContact O-CB 3.27Å; P257-C260 WeakPolarHBondContact O-CB 3.25Å; P257-C260 PolarHBondContact O-N 3.03Å; P257-I261 PolarHBondContact O-N 3.27Å
258L95.8Very high97.6Very high76 Ų7642.2 Ų42.240%0.39822%0.215SC..Hα-helixtrans-54.2-34.4178.6-67.8-179.8000112.5C260 I261 W262 Y315L258-C260 VanDerWaalsContact C-N 3.28Å; L258-C260 PolarHBondContact O-N 3.25Å; L258-I261 WeakPolarHBondContact O-CB 3.47Å; L258-I261 PolarHBondContact O-N 3.18Å; L258-I261 VanDerWaalsContact O-N 3.14Å; L258-W262 VanDerWaalsContact O-CD1 3.27Å; L258-W262 PolarHBondContact O-N 2.79Å; L258-W262 VanDerWaalsContact O-N 3.08Å; L258-Y315 HydrophobicContact CD2-CD1 4.03Å; L258-Y315 HydrophobicContact CD2-CG 4.38Å
259K97Very high97.6Very high153 Ų15346.1 Ų46.167%0.66524%0.235SC*.Hα-helixtrans-57.9-39.3173-178.7167.8-178.7166.50112.9P257 I261 W262 D263P257-K259 PolarHBondContact O-N 3.31Å; P257-K259 VanDerWaalsContact O-N 3.09Å; K259-I261 VanDerWaalsContact C-N 3.34Å; K259-W262 PolarHBondContact O-N 2.79Å; K259-D263 WeakPolarHBondContact O-CB 3.41Å; K259-D263 PolarHBondContact O-N 3.16Å
260C98.2Very high97.5Very high0 Ų054 Ų540%027%0.272CS..Hα-helixtrans-67.8-34.6176.9-177.30000112.2Y49 A248 T256 P257 L258 D263 W264Y49-C260 HydrophobicContact CE1-CB 4.27Å; Y49-C260 HydrophobicContact CE2-CB 3.73Å; Y49-C260 WeakPolarHBondContact CE2-SG 3.49Å; Y49-C260 WeakPolarHBondContact OH-CA 3.28Å; Y49-C260 VanDerWaalsContact OH-CB 3.31Å; Y49-C260 WeakPolarHBondContact OH-CB 3.45Å; Y49-C260 PolarHBondContact OH-N 3.33Å; A248-C260 HydrophobicContact CB-CB 4.44Å; T256-C260 HydrophobicContact CG2-CB 3.73Å; P257-C260 HydrophobicContact CG-CB 3.68Å; P257-C260 WeakPolarHBondContact O-CA 3.31Å; P257-C260 VanDerWaalsContact O-CB 3.27Å; P257-C260 WeakPolarHBondContact O-CB 3.25Å; P257-C260 PolarHBondContact O-N 3.03Å; L258-C260 VanDerWaalsContact C-N 3.28Å; L258-C260 PolarHBondContact O-N 3.25Å; C260-D263 PolarHBondContact O-N 3.21Å; C260-W264 PolarHBondContact O-N 2.67Å
261I97.9Very high97.4Very high2 Ų257.1 Ų57.11%0.0129%0.288CS..Hα-helixtrans-60.8-48.7172.2-58.5-61.9000110.5T256 P257 L258 K259 W264 V265 L282 M285 M286 I289 L311T256-I261 HydrophobicContact CG2-CD1 3.61Å; T256-I261 HydrophobicContact CG2-CG1 4.07Å; P257-I261 PolarHBondContact O-N 3.27Å; L258-I261 WeakPolarHBondContact O-CB 3.47Å; L258-I261 PolarHBondContact O-N 3.18Å; L258-I261 VanDerWaalsContact O-N 3.14Å; K259-I261 VanDerWaalsContact C-N 3.34Å; I261-W264 WeakPolarHBondContact O-CB 3.18Å; I261-W264 PolarHBondContact O-N 2.96Å; I261-V265 WeakPolarHBondContact O-CG2 3.49Å; I261-V265 PolarHBondContact O-N 2.68Å; I261-L282 HydrophobicContact CD1-CD2 4.46Å; I261-L282 HydrophobicContact CG2-CD2 3.68Å; I261-M285 HydrophobicContact CD1-CB 3.42Å; I261-M285 VanDerWaalsContact CD1-CB 3.42Å; I261-M285 HydrophobicContact CD1-CG 4.34Å; I261-M285 HydrophobicContact CD1-SD 4.16Å; I261-M286 HydrophobicContact CD1-CG 4.28Å; I261-M286 HydrophobicContact CD1-SD 3.81Å; I261-M286 HydrophobicContact CG1-SD 4.02Å; I261-M286 HydrophobicContact CG2-SD 4.2Å; I261-I289 HydrophobicContact CD1-CD1 4.34Å; I261-I289 HydrophobicContact CG1-CD1 4.3Å; I261-L311 HydrophobicContact CG2-CD1 4.22Å; I261-L311 HydrophobicContact CG2-CD2 4.15Å
262W97.8Very high97.3Very high70 Ų7058 Ų5827%0.26530%0.302SS..Hα-helixtrans-69.4-38.6178.4-71.3112.8000112.8L258 K259 W264 V265 D266 L311L258-W262 VanDerWaalsContact O-CD1 3.27Å; L258-W262 PolarHBondContact O-N 2.79Å; L258-W262 VanDerWaalsContact O-N 3.08Å; K259-W262 PolarHBondContact O-N 2.79Å; W262-W264 VanDerWaalsContact C-N 3.27Å; W262-W264 PolarHBondContact O-N 3.42Å; W262-V265 HydrophobicContact CE3-CB 4.24Å; W262-V265 HydrophobicContact CE3-CG1 4.3Å; W262-V265 HydrophobicContact CE3-CG2 4.33Å; W262-V265 HydrophobicContact CZ3-CG1 4.42Å; W262-V265 WeakPolarHBondContact O-CB 3.36Å; W262-V265 PolarHBondContact O-N 3.12Å; W262-D266 PolarHBondContact O-N 2.71Å; W262-L311 HydrophobicContact CH2-CB 3.74Å; W262-L311 HydrophobicContact CZ2-CB 3.92Å; W262-L311 HydrophobicContact CZ3-CB 4.48Å
263D98.5Very high97.2Very high24 Ų2457.6 Ų57.613%0.12829%0.291CS..Hα-helixtrans-58.2-39.4171.5-86.7-53.6000111.3L45 K48 Y49 K259 C260 I267L45-D263 HydrophobicContact CD1-CB 3.85Å; K48-D263 IonicContact NZ-OD1 2.8Å; K48-D263 PolarHBondContact NZ-OD1 3.33Å; Y49-D263 PolarHBondContact OH-OD2 3.44Å; K259-D263 WeakPolarHBondContact O-CB 3.41Å; K259-D263 PolarHBondContact O-N 3.16Å; C260-D263 PolarHBondContact O-N 3.21Å; D263-I267 VanDerWaalsContact O-CB 3.32Å; D263-I267 WeakPolarHBondContact O-CB 3.18Å; D263-I267 VanDerWaalsContact O-CD1 3.26Å; D263-I267 WeakPolarHBondContact O-CD1 3.07Å; D263-I267 WeakPolarHBondContact O-CG1 3.3Å; D263-I267 PolarHBondContact O-N 3.26Å
264W98.6Very high97.1Very high3 Ų356.3 Ų56.31%0.01130%0.297CS..Hα-helixtrans-63-45.4172.6169.9-110.2000111.7A41 F42 L45 C260 I261 W262 A268 T273 F278 H281 M285A41-W264 HydrophobicContact CB-CH2 4.12Å; A41-W264 HydrophobicContact CB-CZ3 3.77Å; F42-W264 HydrophobicContact CB-CZ3 4.07Å; F42-W264 HydrophobicContact CD2-CZ3 4.38Å; L45-W264 HydrophobicContact CB-CE3 4.46Å; L45-W264 HydrophobicContact CD1-CB 4.32Å; L45-W264 HydrophobicContact CD2-CB 3.88Å; L45-W264 HydrophobicContact CD2-CD2 4.42Å; L45-W264 HydrophobicContact CD2-CE3 3.94Å; L45-W264 HydrophobicContact CD2-CG 4.44Å; C260-W264 PolarHBondContact O-N 2.67Å; I261-W264 WeakPolarHBondContact O-CB 3.18Å; I261-W264 PolarHBondContact O-N 2.96Å; W262-W264 VanDerWaalsContact C-N 3.27Å; W262-W264 PolarHBondContact O-N 3.42Å; W264-A268 HydrophobicContact CD2-CB 4.17Å; W264-A268 HydrophobicContact CE3-CB 4.39Å; W264-A268 HydrophobicContact CH2-CB 4.31Å; W264-A268 HydrophobicContact CZ2-CB 4.06Å; W264-A268 HydrophobicContact CZ3-CB 4.46Å; W264-A268 WeakPolarHBondContact O-CB 3.48Å; W264-A268 PolarHBondContact O-N 3.31Å; W264-T273 HydrophobicContact CH2-CG2 4.47Å; W264-T273 HydrophobicContact CZ2-CG2 4.49Å; W264-F278 AromaticContact NE1-CD2 3.77Å; W264-F278 PolarHBondContact NE1-O 2.76Å; W264-F278 VanDerWaalsContact NE1-O 3.11Å; W264-H281 HydrophobicContact CD2-CB 4.36Å; W264-H281 HydrophobicContact CH2-CB 4.09Å; W264-H281 AromaticContact CH2-CD2 3.32Å; W264-H281 WeakPolarHBondContact CH2-CD2 3.34Å; W264-H281 AromaticContact CH2-CG 3.8Å; W264-H281 AromaticContact CH2-NE2 3.94Å; W264-H281 HydrophobicContact CZ2-CB 3.35Å; W264-H281 AromaticContact CZ2-CD2 3.37Å; W264-H281 WeakPolarHBondContact CZ2-CD2 3.27Å; W264-H281 AromaticContact CZ2-CG 3.56Å; W264-M285 HydrophobicContact CB-CE 4.19Å; W264-M285 HydrophobicContact CB-SD 4.11Å; W264-M285 HydrophobicContact CD2-CE 3.91Å; W264-M285 HydrophobicContact CE3-CE 4.29Å; W264-M285 HydrophobicContact CG-CE 3.85Å; W264-M285 HydrophobicContact CG-SD 4.1Å
265V98.4Very high97.2Very high2 Ų252.9 Ų52.91%0.01228%0.28CS..Hα-helixtrans-56.5-53.3178.2168.70000110.7I261 W262 I267 A268 L269 F278 L308 L311I261-V265 WeakPolarHBondContact O-CG2 3.49Å; I261-V265 PolarHBondContact O-N 2.68Å; W262-V265 HydrophobicContact CE3-CB 4.24Å; W262-V265 HydrophobicContact CE3-CG1 4.3Å; W262-V265 HydrophobicContact CE3-CG2 4.33Å; W262-V265 HydrophobicContact CZ3-CG1 4.42Å; W262-V265 WeakPolarHBondContact O-CB 3.36Å; W262-V265 PolarHBondContact O-N 3.12Å; V265-I267 PolarHBondContact O-N 2.96Å; V265-A268 PolarHBondContact O-N 3.01Å; V265-L269 HydrophobicContact CG1-CD1 3.81Å; V265-L269 HydrophobicContact CG1-CG 4.4Å; V265-L269 WeakPolarHBondContact O-CB 3.43Å; V265-L269 VanDerWaalsContact O-CG 3.23Å; V265-L269 WeakPolarHBondContact O-CG 3.33Å; V265-L269 PolarHBondContact O-N 3.33Å; V265-F278 HydrophobicContact CG2-CE2 4.12Å; V265-F278 HydrophobicContact CG2-CZ 4.23Å; V265-L308 HydrophobicContact CG1-CD2 3.4Å; V265-L308 HydrophobicContact CG2-CD2 4.41Å; V265-L311 HydrophobicContact CG2-CD1 3.84Å
266D98.3Very high97.2Very high95 Ų9554.6 Ų54.651%0.50829%0.29SS..Hα-helixtrans-59.9-50.9-178-67-20.9000111.4W262 A268 L269 E270W262-D266 PolarHBondContact O-N 2.71Å; D266-A268 PolarHBondContact O-N 2.68Å; D266-L269 PolarHBondContact O-N 2.79Å; D266-E270 VanDerWaalsContact O-CB 3.31Å; D266-E270 WeakPolarHBondContact O-CB 3.27Å; D266-E270 PolarHBondContact O-N 3.14Å
267I98.4Very high97.1Very high8 Ų855.6 Ų55.64%0.04130%0.296CS..Hα-helixtrans-61.6-44.2-179.9-69.5163.7000111.1A41 T44 L45 K48 D263 V265 L271A41-I267 HydrophobicContact CB-CG2 4Å; A41-I267 WeakPolarHBondContact O-CG2 3.31Å; T44-I267 HydrophobicContact CG2-CD1 4.04Å; T44-I267 HydrophobicContact CG2-CG1 4.33Å; T44-I267 HydrophobicContact CG2-CG2 4.09Å; L45-I267 HydrophobicContact CB-CD1 4.28Å; L45-I267 HydrophobicContact CD1-CD1 4.09Å; K48-I267 HydrophobicContact CD-CD1 3.9Å; D263-I267 VanDerWaalsContact O-CB 3.32Å; D263-I267 WeakPolarHBondContact O-CB 3.18Å; D263-I267 VanDerWaalsContact O-CD1 3.26Å; D263-I267 WeakPolarHBondContact O-CD1 3.07Å; D263-I267 WeakPolarHBondContact O-CG1 3.3Å; D263-I267 PolarHBondContact O-N 3.26Å; V265-I267 PolarHBondContact O-N 2.96Å; I267-L271 HydrophobicContact CG2-CD1 3.78Å; I267-L271 WeakPolarHBondContact O-CB 3.33Å; I267-L271 WeakPolarHBondContact O-CG 3.22Å; I267-L271 PolarHBondContact O-N 3.31Å
268A98.1Very high97.2Very high1 Ų154.3 Ų54.31%0.00829%0.288CS..Hα-helixtrans-68.3-37.7-175.800000111.9W264 V265 D266 G272 T273 F278W264-A268 HydrophobicContact CD2-CB 4.17Å; W264-A268 HydrophobicContact CE3-CB 4.39Å; W264-A268 HydrophobicContact CH2-CB 4.31Å; W264-A268 HydrophobicContact CZ2-CB 4.06Å; W264-A268 HydrophobicContact CZ3-CB 4.46Å; W264-A268 WeakPolarHBondContact O-CB 3.48Å; W264-A268 PolarHBondContact O-N 3.31Å; V265-A268 PolarHBondContact O-N 3.01Å; D266-A268 PolarHBondContact O-N 2.68Å; A268-G272 PolarHBondContact O-N 2.81Å; A268-T273 WeakPolarHBondContact CA-OG1 3.42Å; A268-T273 VanDerWaalsContact O-CB 3.3Å; A268-T273 WeakPolarHBondContact O-CB 3.49Å; A268-T273 PolarHBondContact O-N 3.09Å; A268-T273 PolarHBondContact O-OG1 3.1Å; A268-T273 VanDerWaalsContact O-OG1 3.09Å; A268-F278 HydrophobicContact CB-CD2 3.65Å; A268-F278 HydrophobicContact CB-CE2 4.24Å
269L97.9Very high97.3Very high83 Ų8351.2 Ų51.244%0.43527%0.271SS..Hα-helixtrans-69-47174.8-68.1177.5000111.5V265 D266 L271 G272 T304 L308V265-L269 HydrophobicContact CG1-CD1 3.81Å; V265-L269 HydrophobicContact CG1-CG 4.4Å; V265-L269 WeakPolarHBondContact O-CB 3.43Å; V265-L269 VanDerWaalsContact O-CG 3.23Å; V265-L269 WeakPolarHBondContact O-CG 3.33Å; V265-L269 PolarHBondContact O-N 3.33Å; D266-L269 PolarHBondContact O-N 2.79Å; L269-L271 VanDerWaalsContact C-N 3.26Å; L269-L271 PolarHBondContact O-N 3.35Å; L269-G272 PolarHBondContact O-N 3.08Å; L269-G272 VanDerWaalsContact O-N 3.1Å; L269-T304 HydrophobicContact CD2-CG2 3.67Å; L269-L308 HydrophobicContact CD1-CD1 4.31Å; L269-L308 HydrophobicContact CD1-CD2 4.42Å
270E97.7Very high97.3Very high165 Ų16546.5 Ų46.577%0.77125%0.252SS*.Hα-helixtrans-57.2-41.2178.6-175.1-177.3174.900111.8D266 G272D266-E270 VanDerWaalsContact O-CB 3.31Å; D266-E270 WeakPolarHBondContact O-CB 3.27Å; D266-E270 PolarHBondContact O-N 3.14Å; E270-G272 VanDerWaalsContact C-N 3.35Å
271L96.1Very high97.3Very high70 Ų7046.6 Ų46.637%0.36625%0.252SS..THydrogen-bonded Turntrans-89.35.1-179-63174.6000114.1L40 A41 I267 L269 T273L40-L271 HydrophobicContact CD2-CD1 4.44Å; L40-L271 HydrophobicContact CD2-CD2 4.4Å; L40-L271 HydrophobicContact CG-CD1 4.13Å; A41-L271 HydrophobicContact CB-CD1 3.86Å; I267-L271 HydrophobicContact CG2-CD1 3.78Å; I267-L271 WeakPolarHBondContact O-CB 3.33Å; I267-L271 WeakPolarHBondContact O-CG 3.22Å; I267-L271 PolarHBondContact O-N 3.31Å; L269-L271 VanDerWaalsContact C-N 3.26Å; L269-L271 PolarHBondContact O-N 3.35Å; L271-T273 PolarHBondContact O-N 2.83Å
272G95.6Very high97.3Very high59 Ų5946.5 Ų46.561%0.60825%0.252SS*.THydrogen-bonded Turntrans64.340.1176.400000114.1A268 L269 E270A268-G272 PolarHBondContact O-N 2.81Å; L269-G272 PolarHBondContact O-N 3.08Å; L269-G272 VanDerWaalsContact O-N 3.1Å; E270-G272 VanDerWaalsContact C-N 3.35Å
273T95.6Very high97.3Very high31 Ų3146.2 Ų46.219%0.1925%0.254CS..  trans-64.1129-178-60.40000110.9W264 A268 L271 F275 C277 F278W264-T273 HydrophobicContact CH2-CG2 4.47Å; W264-T273 HydrophobicContact CZ2-CG2 4.49Å; A268-T273 WeakPolarHBondContact CA-OG1 3.42Å; A268-T273 VanDerWaalsContact O-CB 3.3Å; A268-T273 WeakPolarHBondContact O-CB 3.49Å; A268-T273 PolarHBondContact O-N 3.09Å; A268-T273 PolarHBondContact O-OG1 3.1Å; A268-T273 VanDerWaalsContact O-OG1 3.09Å; L271-T273 PolarHBondContact O-N 2.83Å; T273-F275 PolarHBondContact O-N 3.3Å; T273-C277 HydrophobicContact CG2-CB 3.89Å; T273-F278 HydrophobicContact CG2-CB 4.12Å
274P95Very high97.2Very high86 Ų8648.5 Ų48.556%0.55826%0.261SS*.  trans-57.6139.2177.1-26.234.6000112.4M276 C277 F278P274-M276 VanDerWaalsContact C-N 3.27Å; P274-M276 PolarHBondContact O-N 3.44Å; P274-M276 VanDerWaalsContact O-N 3.1Å; P274-C277 PolarHBondContact O-N 2.86Å; P274-F278 PolarHBondContact O-N 3.29Å
275F96.9Very high97.2Very high48 Ų4848.4 Ų48.421%0.21126%0.261CS..Hα-helixtrans-47.8-45.7-174.5172.2-108.3000113.7T273 C277 F278 H279 S302 S303 V307T273-F275 PolarHBondContact O-N 3.3Å; F275-C277 VanDerWaalsContact C-N 3.32Å; F275-C277 PolarHBondContact O-N 3.33Å; F275-F278 HydrophobicContact CD2-CD1 4.2Å; F275-F278 WeakPolarHBondContact O-CB 3.44Å; F275-F278 PolarHBondContact O-N 3.48Å; F275-H279 HydrophobicContact CD2-CB 4.38Å; F275-H279 HydrophobicContact CE2-CB 3.83Å; F275-H279 HydrophobicContact CZ-CB 3.92Å; F275-H279 AromaticContact CZ-ND1 3.62Å; F275-H279 WeakPolarHBondContact O-CB 3.4Å; F275-H279 PolarHBondContact O-N 3.42Å; F275-S302 VanDerWaalsContact CE1-C 3.43Å; F275-S302 WeakPolarHBondContact CE1-O 3.44Å; F275-S303 WeakPolarHBondContact CE2-O 3.3Å; F275-S303 VanDerWaalsContact CZ-N 3.31Å; F275-V307 HydrophobicContact CE2-CG2 4.07Å
276M95.4Very high97Very high137 Ų13748.4 Ų48.468%0.67526%0.261SS*.Hα-helixtrans-58.7-42.8179.9-68.2-58-59.600112.5P274 Q280P274-M276 VanDerWaalsContact C-N 3.27Å; P274-M276 PolarHBondContact O-N 3.44Å; P274-M276 VanDerWaalsContact O-N 3.1Å; M276-Q280 WeakPolarHBondContact O-CB 3.39Å; M276-Q280 PolarHBondContact O-N 3.5Å; M276-Q280 VanDerWaalsContact O-N 3.13Å
277C95.6Very high96.7Very high26 Ų2649 Ų4918%0.17626%0.261CS..Hα-helixtrans-72.4-41.3176.6-70.20000111.5T273 P274 F275 H281T273-C277 HydrophobicContact CG2-CB 3.89Å; P274-C277 PolarHBondContact O-N 2.86Å; F275-C277 VanDerWaalsContact C-N 3.32Å; F275-C277 PolarHBondContact O-N 3.33Å; C277-H281 PolarHBondContact O-CD2 2.91Å; C277-H281 PolarHBondContact O-N 2.94Å
278F97.9Very high96.2Very high2 Ų253.9 Ų53.91%0.00928%0.282CS..Hα-helixtrans-55.2-55176.9165.8-104.4000111.9W264 V265 A268 T273 P274 F275 L282 T304 V307W264-F278 AromaticContact NE1-CD2 3.77Å; W264-F278 PolarHBondContact NE1-O 2.76Å; W264-F278 VanDerWaalsContact NE1-O 3.11Å; V265-F278 HydrophobicContact CG2-CE2 4.12Å; V265-F278 HydrophobicContact CG2-CZ 4.23Å; A268-F278 HydrophobicContact CB-CD2 3.65Å; A268-F278 HydrophobicContact CB-CE2 4.24Å; T273-F278 HydrophobicContact CG2-CB 4.12Å; P274-F278 PolarHBondContact O-N 3.29Å; F275-F278 HydrophobicContact CD2-CD1 4.2Å; F275-F278 WeakPolarHBondContact O-CB 3.44Å; F275-F278 PolarHBondContact O-N 3.48Å; F278-L282 HydrophobicContact CD1-CD1 4.48Å; F278-L282 HydrophobicContact CD2-CD1 4.49Å; F278-L282 HydrophobicContact CE1-CD1 3.88Å; F278-L282 HydrophobicContact CE2-CD1 3.89Å; F278-L282 HydrophobicContact CZ-CD1 3.56Å; F278-L282 PolarHBondContact O-N 3.04Å; F278-T304 HydrophobicContact CD1-CG2 4.34Å; F278-T304 HydrophobicContact CE1-CG2 3.91Å; F278-T304 HydrophobicContact CZ-CG2 4.29Å; F278-V307 HydrophobicContact CE1-CB 3.99Å; F278-V307 HydrophobicContact CE1-CG1 3.68Å; F278-V307 HydrophobicContact CE1-CG2 4.45Å; F278-V307 HydrophobicContact CZ-CG1 4Å
279H98.1Very high95.7Very high10 Ų1056 Ų565%0.04629%0.292CS..Hα-helixtrans-70.5-41.4-176.3-173.6-161.8000111.4F275 H281 L282 M283 F298 L301F275-H279 HydrophobicContact CD2-CB 4.38Å; F275-H279 HydrophobicContact CE2-CB 3.83Å; F275-H279 HydrophobicContact CZ-CB 3.92Å; F275-H279 AromaticContact CZ-ND1 3.62Å; F275-H279 WeakPolarHBondContact O-CB 3.4Å; F275-H279 PolarHBondContact O-N 3.42Å; H279-H281 VanDerWaalsContact C-N 3.3Å; H279-H281 PolarHBondContact O-N 3.44Å; H279-L282 WeakPolarHBondContact O-CB 3.41Å; H279-L282 PolarHBondContact O-N 3.2Å; H279-L282 VanDerWaalsContact O-N 3.09Å; H279-M283 WeakPolarHBondContact O-CG 3.42Å; H279-M283 PolarHBondContact O-N 2.84Å; H279-F298 AromaticContact CD2-CE1 3.86Å; H279-F298 PolarHBondContact CE1-O 3.08Å; H279-F298 AromaticContact NE2-CD1 3.87Å; H279-F298 AromaticContact NE2-CE1 3.75Å; H279-F298 PolarHBondContact NE2-O 3.22Å; H279-L301 PolarHBondContact CE1-O 3.16Å; H279-L301 PolarHBondContact ND1-O 3.38Å
280Q97.6Very high95.4Very high54 Ų5452.7 Ų52.725%0.25228%0.275SS..Hα-helixtrans-63.5-34.8-178.8-169.4175.812.500113.2Y37 M276 M283 Y284Y37-Q280 HydrophobicContact CE1-CG 4.17Å; Y37-Q280 PolarHBondContact OH-NE2 3.07Å; M276-Q280 WeakPolarHBondContact O-CB 3.39Å; M276-Q280 PolarHBondContact O-N 3.5Å; M276-Q280 VanDerWaalsContact O-N 3.13Å; Q280-M283 WeakPolarHBondContact O-CB 3.42Å; Q280-M283 PolarHBondContact O-N 3.32Å; Q280-Y284 HydrophobicContact CG-CD2 4.47Å; Q280-Y284 HydrophobicContact CG-CE2 3.9Å; Q280-Y284 PolarHBondContact NE2-OH 2.81Å; Q280-Y284 WeakPolarHBondContact O-CD2 3.43Å; Q280-Y284 PolarHBondContact O-N 3.13Å
281H98.3Very high95.2Very high3 Ų347.5 Ų47.51%0.01426%0.258CS..Hα-helixtrans-62.3-46171.8-92.5-64.9000111.7Y37 F42 W264 C277 H279 M283 Y284 M285Y37-H281 PolarHBondContact O-NE2 3.38Å; Y37-H281 VanDerWaalsContact O-NE2 3.12Å; F42-H281 AromaticContact CD2-CE1 3.15Å; F42-H281 WeakPolarHBondContact CD2-CE1 3.43Å; F42-H281 AromaticContact CD2-ND1 3.48Å; F42-H281 WeakPolarHBondContact CD2-ND1 3.4Å; F42-H281 AromaticContact CD2-NE2 3.88Å; F42-H281 AromaticContact CE2-CE1 3.58Å; F42-H281 AromaticContact CE2-ND1 3.66Å; F42-H281 AromaticContact CG-CE1 3.44Å; F42-H281 VanDerWaalsContact CG-CE1 3.44Å; F42-H281 WeakPolarHBondContact CG-CE1 3.36Å; F42-H281 AromaticContact CG-NE2 3.92Å; W264-H281 HydrophobicContact CD2-CB 4.36Å; W264-H281 HydrophobicContact CH2-CB 4.09Å; W264-H281 AromaticContact CH2-CD2 3.32Å; W264-H281 WeakPolarHBondContact CH2-CD2 3.34Å; W264-H281 AromaticContact CH2-CG 3.8Å; W264-H281 AromaticContact CH2-NE2 3.94Å; W264-H281 HydrophobicContact CZ2-CB 3.35Å; W264-H281 AromaticContact CZ2-CD2 3.37Å; W264-H281 WeakPolarHBondContact CZ2-CD2 3.27Å; W264-H281 AromaticContact CZ2-CG 3.56Å; C277-H281 PolarHBondContact O-CD2 2.91Å; C277-H281 PolarHBondContact O-N 2.94Å; H279-H281 VanDerWaalsContact C-N 3.3Å; H279-H281 PolarHBondContact O-N 3.44Å; H281-M283 VanDerWaalsContact C-N 3.3Å; H281-M283 PolarHBondContact O-N 3.34Å; H281-Y284 PolarHBondContact O-N 2.93Å; H281-Y284 VanDerWaalsContact O-N 3.13Å; H281-M285 HydrophobicContact CB-CE 3.85Å; H281-M285 VanDerWaalsContact O-CG 3.29Å; H281-M285 WeakPolarHBondContact O-CG 3.29Å; H281-M285 PolarHBondContact O-N 2.72Å
282L98Very high95Very high0 Ų053.3 Ų53.30%028%0.275CS..Hα-helixtrans-60.1-40.1174.7-71.2167000112.1I261 F278 H279 Y284 M285 M286 F298 V307 L311I261-L282 HydrophobicContact CD1-CD2 4.46Å; I261-L282 HydrophobicContact CG2-CD2 3.68Å; F278-L282 HydrophobicContact CD1-CD1 4.48Å; F278-L282 HydrophobicContact CD2-CD1 4.49Å; F278-L282 HydrophobicContact CE1-CD1 3.88Å; F278-L282 HydrophobicContact CE2-CD1 3.89Å; F278-L282 HydrophobicContact CZ-CD1 3.56Å; F278-L282 PolarHBondContact O-N 3.04Å; H279-L282 WeakPolarHBondContact O-CB 3.41Å; H279-L282 PolarHBondContact O-N 3.2Å; H279-L282 VanDerWaalsContact O-N 3.09Å; L282-Y284 PolarHBondContact O-N 2.96Å; L282-M285 PolarHBondContact O-N 3.43Å; L282-M286 WeakPolarHBondContact O-CB 3.46Å; L282-M286 WeakPolarHBondContact O-CG 3.39Å; L282-M286 PolarHBondContact O-N 2.96Å; L282-F298 HydrophobicContact CB-CE1 3.76Å; L282-F298 HydrophobicContact CB-CZ 3.69Å; L282-F298 HydrophobicContact CD1-CZ 4.19Å; L282-F298 HydrophobicContact CG-CZ 4.47Å; L282-V307 HydrophobicContact CD1-CG1 3.51Å; L282-L311 HydrophobicContact CD1-CD1 4.12Å; L282-L311 HydrophobicContact CD2-CD1 4.32Å
283M97.3Very high94.9Very high63 Ų6357.9 Ų57.931%0.3128%0.28SS..Hα-helixtrans-57.9-37.4176.5-66.2172.258.600112.3H279 Q280 H281 F298 N299H279-M283 WeakPolarHBondContact O-CG 3.42Å; H279-M283 PolarHBondContact O-N 2.84Å; Q280-M283 WeakPolarHBondContact O-CB 3.42Å; Q280-M283 PolarHBondContact O-N 3.32Å; H281-M283 VanDerWaalsContact C-N 3.3Å; H281-M283 PolarHBondContact O-N 3.34Å; M283-F298 HydrophobicContact CG-CD1 4.4Å; M283-F298 HydrophobicContact CG-CE1 4.34Å; M283-N299 HydrophobicContact CE-CB 3.75Å; M283-N299 VanDerWaalsContact CE-CG 3.41Å; M283-N299 WeakPolarHBondContact CG-OD1 3.38Å; M283-N299 HydrophobicContact SD-CB 4.38Å
284Y97.4Very high94.8Very high72 Ų7259.3 Ų59.328%0.28229%0.285SS..Hα-helixtrans-71.2-49173.6-68.5-57.4000112Y37 L244 Q280 H281 L282 M286 E287Y37-Y284 HydrophobicContact CD1-CE2 4.29Å; Y37-Y284 AromaticContact CE1-CE2 3.78Å; Y37-Y284 HydrophobicContact CE1-CE2 3.78Å; Y37-Y284 PolarHBondContact OH-OH 2.9Å; L244-Y284 HydrophobicContact CB-CD2 4.14Å; L244-Y284 HydrophobicContact CB-CG 4.16Å; L244-Y284 HydrophobicContact CD1-CD2 4.45Å; L244-Y284 HydrophobicContact CD1-CE2 4.24Å; L244-Y284 WeakPolarHBondContact O-CB 3.37Å; Q280-Y284 HydrophobicContact CG-CD2 4.47Å; Q280-Y284 HydrophobicContact CG-CE2 3.9Å; Q280-Y284 PolarHBondContact NE2-OH 2.81Å; Q280-Y284 WeakPolarHBondContact O-CD2 3.43Å; Q280-Y284 PolarHBondContact O-N 3.13Å; H281-Y284 PolarHBondContact O-N 2.93Å; H281-Y284 VanDerWaalsContact O-N 3.13Å; L282-Y284 PolarHBondContact O-N 2.96Å; Y284-M286 VanDerWaalsContact C-N 3.29Å; Y284-M286 PolarHBondContact O-N 3.19Å; Y284-E287 VanDerWaalsContact O-CB 3.32Å; Y284-E287 WeakPolarHBondContact O-CB 3.29Å; Y284-E287 PolarHBondContact O-N 3.46Å
285M97.5Very high94.7Very high1 Ų158 Ų581%0.00527%0.27CS..Hα-helixtrans-63.4-35.4-175.5-65.7173-162.900112.8F42 L45 P247 T256 I261 W264 H281 L282 E287F42-M285 HydrophobicContact CD2-CE 4.32Å; F42-M285 HydrophobicContact CE2-CE 4.12Å; L45-M285 HydrophobicContact CD2-CE 3.61Å; L45-M285 HydrophobicContact CD2-SD 4.39Å; P247-M285 HydrophobicContact CG-CE 3.59Å; P247-M285 HydrophobicContact CG-CG 3.82Å; P247-M285 HydrophobicContact CG-SD 3.91Å; T256-M285 HydrophobicContact CG2-CB 4.11Å; T256-M285 HydrophobicContact CG2-CG 4.44Å; T256-M285 PolarHBondContact OG1-O 3.13Å; I261-M285 HydrophobicContact CD1-CB 3.42Å; I261-M285 VanDerWaalsContact CD1-CB 3.42Å; I261-M285 HydrophobicContact CD1-CG 4.34Å; I261-M285 HydrophobicContact CD1-SD 4.16Å; W264-M285 HydrophobicContact CB-CE 4.19Å; W264-M285 HydrophobicContact CB-SD 4.11Å; W264-M285 HydrophobicContact CD2-CE 3.91Å; W264-M285 HydrophobicContact CE3-CE 4.29Å; W264-M285 HydrophobicContact CG-CE 3.85Å; W264-M285 HydrophobicContact CG-SD 4.1Å; H281-M285 HydrophobicContact CB-CE 3.85Å; H281-M285 VanDerWaalsContact O-CG 3.29Å; H281-M285 WeakPolarHBondContact O-CG 3.29Å; H281-M285 PolarHBondContact O-N 2.72Å; L282-M285 PolarHBondContact O-N 3.43Å; M285-E287 VanDerWaalsContact C-N 3.31Å
286M94.9Very high94.6Very high2 Ų263.7 Ų63.71%0.0129%0.29CS..THydrogen-bonded Turntrans-82.4-7-178.4-62.4-73.1-70.600112.7I261 L282 Y284 K288 I289 T290 F298 L311 Y315I261-M286 HydrophobicContact CD1-CG 4.28Å; I261-M286 HydrophobicContact CD1-SD 3.81Å; I261-M286 HydrophobicContact CG1-SD 4.02Å; I261-M286 HydrophobicContact CG2-SD 4.2Å; L282-M286 WeakPolarHBondContact O-CB 3.46Å; L282-M286 WeakPolarHBondContact O-CG 3.39Å; L282-M286 PolarHBondContact O-N 2.96Å; Y284-M286 VanDerWaalsContact C-N 3.29Å; Y284-M286 PolarHBondContact O-N 3.19Å; M286-K288 VanDerWaalsContact C-N 3.29Å; M286-K288 PolarHBondContact O-N 3.3Å; M286-I289 PolarHBondContact O-N 3.23Å; M286-I289 VanDerWaalsContact O-N 3.07Å; M286-I289 HydrophobicContact SD-CD1 4.14Å; M286-T290 HydrophobicContact CB-CG2 4.02Å; M286-T290 HydrophobicContact CE-CG2 3.67Å; M286-T290 PolarHBondContact O-N 3.45Å; M286-T290 PolarHBondContact O-OG1 3.15Å; M286-F298 HydrophobicContact CG-CE1 4.16Å; M286-F298 HydrophobicContact CG-CZ 4.39Å; M286-L311 HydrophobicContact CE-CD2 3.93Å; M286-L311 HydrophobicContact SD-CD2 4.22Å; M286-Y315 HydrophobicContact CE-CD2 3.74Å; M286-Y315 HydrophobicContact CE-CE1 4.32Å; M286-Y315 HydrophobicContact CE-CE2 3.49Å; M286-Y315 VanDerWaalsContact CE-CE2 3.49Å; M286-Y315 HydrophobicContact CE-CG 4.27Å
287E91.6Very high94.6Very high108 Ų10860.8 Ų60.851%0.50528%0.28SS..THydrogen-bonded Turntrans-59.7-35.8-171.2-173.5175.4-167.700112.8Y284 M285 K295Y284-E287 VanDerWaalsContact O-CB 3.32Å; Y284-E287 WeakPolarHBondContact O-CB 3.29Å; Y284-E287 PolarHBondContact O-N 3.46Å; M285-E287 VanDerWaalsContact C-N 3.31Å; E287-K295 WeakPolarHBondContact O-CE 3.35Å; E287-K295 PolarHBondContact O-NZ 3.44Å
288K88.4Confident94.6Very high111 Ų11159.6 Ų59.648%0.48327%0.272SS..THydrogen-bonded Turntrans-87.8-19.8177.8-65.9-174.7-179.6179.90113.7E255 M286E255-K288 HydrophobicContact CG-CB 4.21Å; E255-K288 HydrophobicContact CG-CD 4.05Å; M286-K288 VanDerWaalsContact C-N 3.29Å; M286-K288 PolarHBondContact O-N 3.3Å
289I87.9Confident94.5Very high46 Ų4662.9 Ų62.924%0.23629%0.289CS..THydrogen-bonded Turntrans-83.8-34.1-174.4-49.7176.8000111.1T256 I261 M286 Y315T256-I289 VanDerWaalsContact O-CD1 3.26Å; T256-I289 WeakPolarHBondContact O-CD1 3.4Å; I261-I289 HydrophobicContact CD1-CD1 4.34Å; I261-I289 HydrophobicContact CG1-CD1 4.3Å; M286-I289 PolarHBondContact O-N 3.23Å; M286-I289 VanDerWaalsContact O-N 3.07Å; M286-I289 HydrophobicContact SD-CD1 4.14Å; I289-Y315 HydrophobicContact CG2-CE1 4.11Å
290T91.1Very high94.5Very high12 Ų1266 Ų667%0.07432%0.317CS..SBendtrans-97.8144.4-170500000112.8M286 E294 K295 Y315M286-T290 HydrophobicContact CB-CG2 4.02Å; M286-T290 HydrophobicContact CE-CG2 3.67Å; M286-T290 PolarHBondContact O-N 3.45Å; M286-T290 PolarHBondContact O-OG1 3.15Å; T290-E294 HydrophobicContact CG2-CB 4.19Å; T290-K295 WeakPolarHBondContact O-CE 3.4Å; T290-K295 WeakPolarHBondContact OG1-CE 3.33Å; T290-K295 WeakPolarHBondContact OG1-CG 3.46Å; T290-Y315 WeakPolarHBondContact CG2-OH 3.48Å
291S93Very high94.5Very high57 Ų5765.2 Ų65.240%0.39931%0.314SS..  trans-67.1165.3165.972.40000111.8Q293 E294 K295S291-Q293 PolarHBondContact O-N 3.02Å; S291-E294 WeakPolarHBondContact CA-OE2 3.22Å; S291-E294 WeakPolarHBondContact CB-OE2 3.42Å; S291-E294 PolarHBondContact N-OE2 3.19Å; S291-E294 PolarHBondContact O-N 3.36Å; S291-E294 WeakPolarHBondContact OG-CG 3.07Å; S291-E294 PolarHBondContact OG-N 2.9Å; S291-E294 PolarHBondContact OG-OE2 3.25Å; S291-K295 WeakPolarHBondContact O-CG 3.31Å; S291-K295 PolarHBondContact O-N 2.79Å
292R91.9Very high94.4Very high192 Ų19269.9 Ų69.973%0.72535%0.348SS*.Hα-helixtrans-59.9-31.1178.1-169.9178.1-175.9-171.12.3113.1R296R292-R296 PolarHBondContact O-N 3.44Å
293Q92.9Very high94.4Very high155 Ų15572.2 Ų72.272%0.72436%0.364SS*.Hα-helixtrans-75.1-47.9178.7-177.4172.3-4.100110.9S291 K295 R296 V297S291-Q293 PolarHBondContact O-N 3.02Å; Q293-K295 VanDerWaalsContact C-N 3.32Å; Q293-K295 PolarHBondContact O-N 3.01Å; Q293-R296 PolarHBondContact O-N 2.86Å; Q293-R296 VanDerWaalsContact O-N 3.11Å; Q293-V297 PolarHBondContact O-N 3.34Å
294E93.8Very high94.3Very high61 Ų6171.2 Ų71.229%0.28536%0.361SS..Hα-helixtrans-56.3-45.9175.5-73.5163125.200111.3T290 S291 R296 V297 F298 Y310 Y315T290-E294 HydrophobicContact CG2-CB 4.19Å; S291-E294 WeakPolarHBondContact CA-OE2 3.22Å; S291-E294 WeakPolarHBondContact CB-OE2 3.42Å; S291-E294 PolarHBondContact N-OE2 3.19Å; S291-E294 PolarHBondContact O-N 3.36Å; S291-E294 WeakPolarHBondContact OG-CG 3.07Å; S291-E294 PolarHBondContact OG-N 2.9Å; S291-E294 PolarHBondContact OG-OE2 3.25Å; E294-R296 VanDerWaalsContact C-N 3.29Å; E294-R296 PolarHBondContact O-N 3.2Å; E294-V297 PolarHBondContact O-N 3.28Å; E294-V297 VanDerWaalsContact O-N 3.11Å; E294-F298 WeakPolarHBondContact O-CB 3.29Å; E294-F298 PolarHBondContact O-N 3.15Å; E294-Y310 WeakPolarHBondContact CB-OH 3.36Å; E294-Y315 VanDerWaalsContact CD-OH 3.31Å; E294-Y315 PolarHBondContact OE1-OH 3.23Å
295K93.6Very high94.3Very high59 Ų5972 Ų7226%0.25738%0.377SS..Hα-helixtrans-53.9-43175.3-72.3177.1-171.6179.40113.4E287 T290 S291 Q293 V297 N299E287-K295 WeakPolarHBondContact O-CE 3.35Å; E287-K295 PolarHBondContact O-NZ 3.44Å; T290-K295 WeakPolarHBondContact O-CE 3.4Å; T290-K295 WeakPolarHBondContact OG1-CE 3.33Å; T290-K295 WeakPolarHBondContact OG1-CG 3.46Å; S291-K295 WeakPolarHBondContact O-CG 3.31Å; S291-K295 PolarHBondContact O-N 2.79Å; Q293-K295 VanDerWaalsContact C-N 3.32Å; Q293-K295 PolarHBondContact O-N 3.01Å; K295-V297 VanDerWaalsContact C-N 3.33Å; K295-N299 WeakPolarHBondContact O-CB 3.32Å; K295-N299 PolarHBondContact O-N 3.04Å; K295-N299 PolarHBondContact O-ND2 2.93Å; K295-N299 PolarHBondContact O-OD1 3.43Å
296R94.1Very high94.3Very high167 Ų16773.1 Ų73.163%0.6339%0.387SS*.Hα-helixtrans-65.1-40.7-179.2-77.2176.8176.9170.9-2.1111.3R292 Q293 E294 A300R292-R296 PolarHBondContact O-N 3.44Å; Q293-R296 PolarHBondContact O-N 2.86Å; Q293-R296 VanDerWaalsContact O-N 3.11Å; E294-R296 VanDerWaalsContact C-N 3.29Å; E294-R296 PolarHBondContact O-N 3.2Å; R296-A300 WeakPolarHBondContact O-CB 3.42Å; R296-A300 PolarHBondContact O-N 2.88Å
297V95.9Very high94.5Very high75 Ų7573 Ų7346%0.45539%0.386SS..Hα-helixtrans-68.4-52.7177.6177.40000109.8Q293 E294 K295 N299 A300 Y310Q293-V297 PolarHBondContact O-N 3.34Å; E294-V297 PolarHBondContact O-N 3.28Å; E294-V297 VanDerWaalsContact O-N 3.11Å; K295-V297 VanDerWaalsContact C-N 3.33Å; V297-N299 PolarHBondContact O-N 2.97Å; V297-A300 WeakPolarHBondContact O-CB 3.19Å; V297-A300 PolarHBondContact O-N 3.03Å; V297-A300 VanDerWaalsContact O-N 3.13Å; V297-Y310 HydrophobicContact CG1-CD2 4.38Å; V297-Y310 HydrophobicContact CG1-CE2 3.99Å
298F96.1Very high94.7Very high1 Ų170.1 Ų70.10%0.00437%0.374CS..Hα-helixtrans-57.5-50.9-178.1-171.7-109.2000112.1H279 L282 M283 M286 E294 A300 L301 V307 Y310 L311H279-F298 AromaticContact CD2-CE1 3.86Å; H279-F298 PolarHBondContact CE1-O 3.08Å; H279-F298 AromaticContact NE2-CD1 3.87Å; H279-F298 AromaticContact NE2-CE1 3.75Å; H279-F298 PolarHBondContact NE2-O 3.22Å; L282-F298 HydrophobicContact CB-CE1 3.76Å; L282-F298 HydrophobicContact CB-CZ 3.69Å; L282-F298 HydrophobicContact CD1-CZ 4.19Å; L282-F298 HydrophobicContact CG-CZ 4.47Å; M283-F298 HydrophobicContact CG-CD1 4.4Å; M283-F298 HydrophobicContact CG-CE1 4.34Å; M286-F298 HydrophobicContact CG-CE1 4.16Å; M286-F298 HydrophobicContact CG-CZ 4.39Å; E294-F298 WeakPolarHBondContact O-CB 3.29Å; E294-F298 PolarHBondContact O-N 3.15Å; F298-A300 PolarHBondContact O-N 3.49Å; F298-A300 VanDerWaalsContact O-N 3.08Å; F298-L301 HydrophobicContact CD2-CD1 3.72Å; F298-L301 HydrophobicContact CE2-CD1 4.17Å; F298-L301 HydrophobicContact CG-CD1 4.49Å; F298-L301 VanDerWaalsContact O-CB 3.29Å; F298-L301 WeakPolarHBondContact O-CB 3.24Å; F298-L301 WeakPolarHBondContact O-CG 3.49Å; F298-L301 PolarHBondContact O-N 3.47Å; F298-V307 HydrophobicContact CE2-CG1 3.96Å; F298-V307 HydrophobicContact CZ-CG1 4.02Å; F298-Y310 HydrophobicContact CB-CE1 4.07Å; F298-Y310 AromaticContact CD2-CD1 3.26Å; F298-Y310 HydrophobicContact CD2-CD1 3.26Å; F298-Y310 AromaticContact CD2-CE1 3.37Å; F298-Y310 HydrophobicContact CD2-CE1 3.37Å; F298-Y310 HydrophobicContact CD2-CG 4.01Å; F298-Y310 AromaticContact CE2-CD1 3.71Å; F298-Y310 HydrophobicContact CE2-CD1 3.71Å; F298-Y310 HydrophobicContact CE2-CE1 4.12Å; F298-Y310 HydrophobicContact CG-CD1 4.35Å; F298-Y310 HydrophobicContact CG-CE1 4.07Å; F298-L311 HydrophobicContact CE2-CD2 4.02Å; F298-L311 HydrophobicContact CE2-CG 4.23Å; F298-L311 HydrophobicContact CZ-CD2 4.35Å
299N96Very high95.2Very high71 Ų7170.9 Ų70.938%0.3838%0.379SS..Hα-helixtrans-65.7-17.5-177.8-63.2-1.1000113.3M283 K295 V297M283-N299 HydrophobicContact CE-CB 3.75Å; M283-N299 VanDerWaalsContact CE-CG 3.41Å; M283-N299 WeakPolarHBondContact CG-OD1 3.38Å; M283-N299 HydrophobicContact SD-CB 4.38Å; K295-N299 WeakPolarHBondContact O-CB 3.32Å; K295-N299 PolarHBondContact O-N 3.04Å; K295-N299 PolarHBondContact O-ND2 2.93Å; K295-N299 PolarHBondContact O-OD1 3.43Å; V297-N299 PolarHBondContact O-N 2.97Å
300A96.8Very high95.6Very high77 Ų7769.9 Ų69.964%0.63637%0.372SS*.THydrogen-bonded Turntrans-86.1-8.7177.200000113.2R296 V297 F298R296-A300 WeakPolarHBondContact O-CB 3.42Å; R296-A300 PolarHBondContact O-N 2.88Å; V297-A300 WeakPolarHBondContact O-CB 3.19Å; V297-A300 PolarHBondContact O-N 3.03Å; V297-A300 VanDerWaalsContact O-N 3.13Å; F298-A300 PolarHBondContact O-N 3.49Å; F298-A300 VanDerWaalsContact O-N 3.08Å
301L97.2Very high95.8Very high36 Ų3669.3 Ų69.319%0.18837%0.369CS..  trans-64.2137.4177.8-59.1173.9000110.5H279 F298 A306 V307 Y310H279-L301 PolarHBondContact CE1-O 3.16Å; H279-L301 PolarHBondContact ND1-O 3.38Å; F298-L301 HydrophobicContact CD2-CD1 3.72Å; F298-L301 HydrophobicContact CE2-CD1 4.17Å; F298-L301 HydrophobicContact CG-CD1 4.49Å; F298-L301 VanDerWaalsContact O-CB 3.29Å; F298-L301 WeakPolarHBondContact O-CB 3.24Å; F298-L301 WeakPolarHBondContact O-CG 3.49Å; F298-L301 PolarHBondContact O-N 3.47Å; L301-A306 HydrophobicContact CD2-CB 4.11Å; L301-V307 HydrophobicContact CB-CG2 3.84Å; L301-V307 HydrophobicContact CD1-CB 4.48Å; L301-V307 HydrophobicContact CD1-CG2 3.99Å; L301-Y310 HydrophobicContact CD1-CD1 4.49Å; L301-Y310 HydrophobicContact CD1-CD2 4.4Å; L301-Y310 HydrophobicContact CD1-CG 3.95Å
302S96.7Very high95.9Very high102 Ų10270.2 Ų70.271%0.71337%0.372SS*.  trans-119.11.9-167.659.90000114.3F275F275-S302 VanDerWaalsContact CE1-C 3.43Å; F275-S302 WeakPolarHBondContact CE1-O 3.44Å
303S97.5Very high96Very high48 Ų4866.8 Ų66.834%0.33637%0.368SS..SBendtrans-143.6154177.274.30000111.8F275 S305 A306 V307F275-S303 WeakPolarHBondContact CE2-O 3.3Å; F275-S303 VanDerWaalsContact CZ-N 3.31Å; S303-S305 VanDerWaalsContact C-N 3.29Å; S303-S305 PolarHBondContact O-N 2.92Å; S303-A306 PolarHBondContact O-N 2.68Å; S303-A306 WeakPolarHBondContact OG-CB 3.26Å; S303-A306 PolarHBondContact OG-N 3.03Å; S303-V307 WeakPolarHBondContact O-CG2 3.18Å; S303-V307 PolarHBondContact O-N 3.21Å; S303-V307 VanDerWaalsContact O-N 3.15Å
304T96.9Very high96Very high42 Ų4263.3 Ų63.326%0.25836%0.355SS..Hα-helixtrans-57.3-44.4175.7-55.40000111L269 F278 A306 V307 L308L269-T304 HydrophobicContact CD2-CG2 3.67Å; F278-T304 HydrophobicContact CD1-CG2 4.34Å; F278-T304 HydrophobicContact CE1-CG2 3.91Å; F278-T304 HydrophobicContact CZ-CG2 4.29Å; T304-A306 PolarHBondContact O-N 3.45Å; T304-V307 WeakPolarHBondContact O-CB 3.39Å; T304-V307 PolarHBondContact O-N 2.89Å; T304-L308 HydrophobicContact CG2-CD1 4.2Å; T304-L308 HydrophobicContact CG2-CG 4.39Å; T304-L308 WeakPolarHBondContact O-CG 2.93Å; T304-L308 PolarHBondContact O-N 3.38Å
305S97.3Very high95.8Very high88 Ų8862 Ų6262%0.61535%0.347SS*.Hα-helixtrans-59.3-43.5179.1-55.70000112.7S303 V307 L308 E309S303-S305 VanDerWaalsContact C-N 3.29Å; S303-S305 PolarHBondContact O-N 2.92Å; S305-V307 VanDerWaalsContact C-N 3.32Å; S305-V307 PolarHBondContact O-N 3.38Å; S305-L308 PolarHBondContact O-N 2.82Å; S305-E309 WeakPolarHBondContact O-CB 3.49Å; S305-E309 PolarHBondContact O-N 3.38Å
306A97.8Very high95Very high25 Ų2560.7 Ų60.721%0.20735%0.351CS..Hα-helixtrans-66.5-35.1178.600000112.2L301 S303 T304 Y310L301-A306 HydrophobicContact CD2-CB 4.11Å; S303-A306 PolarHBondContact O-N 2.68Å; S303-A306 WeakPolarHBondContact OG-CB 3.26Å; S303-A306 PolarHBondContact OG-N 3.03Å; T304-A306 PolarHBondContact O-N 3.45Å; A306-Y310 WeakPolarHBondContact O-CB 3.02Å; A306-Y310 PolarHBondContact O-N 3.07Å
307V97.6Very high93Very high0 Ų063.1 Ų63.10%038%0.384CS..Hα-helixtrans-65-43.6172.7172.80000111.1F275 F278 L282 F298 L301 S303 T304 S305 Y310 L311F275-V307 HydrophobicContact CE2-CG2 4.07Å; F278-V307 HydrophobicContact CE1-CB 3.99Å; F278-V307 HydrophobicContact CE1-CG1 3.68Å; F278-V307 HydrophobicContact CE1-CG2 4.45Å; F278-V307 HydrophobicContact CZ-CG1 4Å; L282-V307 HydrophobicContact CD1-CG1 3.51Å; F298-V307 HydrophobicContact CE2-CG1 3.96Å; F298-V307 HydrophobicContact CZ-CG1 4.02Å; L301-V307 HydrophobicContact CB-CG2 3.84Å; L301-V307 HydrophobicContact CD1-CB 4.48Å; L301-V307 HydrophobicContact CD1-CG2 3.99Å; S303-V307 WeakPolarHBondContact O-CG2 3.18Å; S303-V307 PolarHBondContact O-N 3.21Å; S303-V307 VanDerWaalsContact O-N 3.15Å; T304-V307 WeakPolarHBondContact O-CB 3.39Å; T304-V307 PolarHBondContact O-N 2.89Å; S305-V307 VanDerWaalsContact C-N 3.32Å; S305-V307 PolarHBondContact O-N 3.38Å; V307-Y310 PolarHBondContact O-N 2.61Å; V307-L311 HydrophobicContact CG1-CD1 4.03Å; V307-L311 HydrophobicContact CG1-CG 4.38Å; V307-L311 WeakPolarHBondContact O-CB 3.16Å; V307-L311 VanDerWaalsContact O-CG 3.29Å; V307-L311 WeakPolarHBondContact O-CG 3.43Å; V307-L311 PolarHBondContact O-N 3.11Å
308L97.2Very high92.9Very high47 Ų4762.5 Ų62.525%0.24638%0.38CS..Hα-helixtrans-65.1-44.5178.8-66.3176.3000112.4V265 L269 T304 S305 L311 T312V265-L308 HydrophobicContact CG1-CD2 3.4Å; V265-L308 HydrophobicContact CG2-CD2 4.41Å; L269-L308 HydrophobicContact CD1-CD1 4.31Å; L269-L308 HydrophobicContact CD1-CD2 4.42Å; T304-L308 HydrophobicContact CG2-CD1 4.2Å; T304-L308 HydrophobicContact CG2-CG 4.39Å; T304-L308 WeakPolarHBondContact O-CG 2.93Å; T304-L308 PolarHBondContact O-N 3.38Å; S305-L308 PolarHBondContact O-N 2.82Å; L308-L311 PolarHBondContact O-N 3.13Å; L308-T312 WeakPolarHBondContact O-CB 3.36Å; L308-T312 PolarHBondContact O-N 2.8Å; L308-T312 PolarHBondContact O-OG1 2.79Å
309E97Very high92.7Very high127 Ų12765.7 Ų65.759%0.59340%0.4SS*.Hα-helixtrans-58.7-50175.1-174.9175.4-163.300110.3S305 L311 T312 D313S305-E309 WeakPolarHBondContact O-CB 3.49Å; S305-E309 PolarHBondContact O-N 3.38Å; E309-L311 PolarHBondContact O-N 3.25Å; E309-T312 PolarHBondContact O-N 3.39Å; E309-T312 VanDerWaalsContact O-N 3.16Å; E309-D313 WeakPolarHBondContact O-CB 3.11Å; E309-D313 VanDerWaalsContact O-CG 3.32Å; E309-D313 PolarHBondContact O-N 2.73Å
310Y96.8Very high92.6Very high25 Ų2565.4 Ų65.410%0.09840%0.401CS..Hα-helixtrans-58.1-47177-178.2-87.4000112.9E294 V297 F298 L301 A306 V307 T312 D313 N314 Y315E294-Y310 WeakPolarHBondContact CB-OH 3.36Å; V297-Y310 HydrophobicContact CG1-CD2 4.38Å; V297-Y310 HydrophobicContact CG1-CE2 3.99Å; F298-Y310 HydrophobicContact CB-CE1 4.07Å; F298-Y310 AromaticContact CD2-CD1 3.26Å; F298-Y310 HydrophobicContact CD2-CD1 3.26Å; F298-Y310 AromaticContact CD2-CE1 3.37Å; F298-Y310 HydrophobicContact CD2-CE1 3.37Å; F298-Y310 HydrophobicContact CD2-CG 4.01Å; F298-Y310 AromaticContact CE2-CD1 3.71Å; F298-Y310 HydrophobicContact CE2-CD1 3.71Å; F298-Y310 HydrophobicContact CE2-CE1 4.12Å; F298-Y310 HydrophobicContact CG-CD1 4.35Å; F298-Y310 HydrophobicContact CG-CE1 4.07Å; L301-Y310 HydrophobicContact CD1-CD1 4.49Å; L301-Y310 HydrophobicContact CD1-CD2 4.4Å; L301-Y310 HydrophobicContact CD1-CG 3.95Å; A306-Y310 WeakPolarHBondContact O-CB 3.02Å; A306-Y310 PolarHBondContact O-N 3.07Å; V307-Y310 PolarHBondContact O-N 2.61Å; Y310-T312 VanDerWaalsContact C-N 3.3Å; Y310-T312 PolarHBondContact O-N 3.46Å; Y310-D313 PolarHBondContact O-N 2.62Å; Y310-N314 WeakPolarHBondContact O-CB 3.45Å; Y310-N314 PolarHBondContact O-N 3.31Å; Y310-N314 VanDerWaalsContact O-N 3.12Å; Y310-N314 PolarHBondContact O-ND2 3.31Å; Y310-Y315 HydrophobicContact CE1-CD2 4.36Å; Y310-Y315 AromaticContact CE1-CE2 3.75Å; Y310-Y315 HydrophobicContact CE1-CE2 3.75Å
311L95.6Very high92.3Very high0 Ų064.8 Ų64.80%039%0.387CS..Hα-helixtrans-63.1-38.9178.7-72.4176.6000111.5I261 W262 V265 L282 M286 F298 V307 L308 E309 Y315 G316I261-L311 HydrophobicContact CG2-CD1 4.22Å; I261-L311 HydrophobicContact CG2-CD2 4.15Å; W262-L311 HydrophobicContact CH2-CB 3.74Å; W262-L311 HydrophobicContact CZ2-CB 3.92Å; W262-L311 HydrophobicContact CZ3-CB 4.48Å; V265-L311 HydrophobicContact CG2-CD1 3.84Å; L282-L311 HydrophobicContact CD1-CD1 4.12Å; L282-L311 HydrophobicContact CD2-CD1 4.32Å; M286-L311 HydrophobicContact CE-CD2 3.93Å; M286-L311 HydrophobicContact SD-CD2 4.22Å; F298-L311 HydrophobicContact CE2-CD2 4.02Å; F298-L311 HydrophobicContact CE2-CG 4.23Å; F298-L311 HydrophobicContact CZ-CD2 4.35Å; V307-L311 HydrophobicContact CG1-CD1 4.03Å; V307-L311 HydrophobicContact CG1-CG 4.38Å; V307-L311 WeakPolarHBondContact O-CB 3.16Å; V307-L311 VanDerWaalsContact O-CG 3.29Å; V307-L311 WeakPolarHBondContact O-CG 3.43Å; V307-L311 PolarHBondContact O-N 3.11Å; L308-L311 PolarHBondContact O-N 3.13Å; E309-L311 PolarHBondContact O-N 3.25Å; L311-Y315 HydrophobicContact CD2-CD2 4.28Å; L311-Y315 CarbonylContact O-C 3.26Å; L311-Y315 VanDerWaalsContact O-C 3.26Å; L311-Y315 VanDerWaalsContact O-CA 3.3Å; L311-Y315 WeakPolarHBondContact O-CA 3.33Å; L311-Y315 WeakPolarHBondContact O-CB 3.4Å; L311-Y315 PolarHBondContact O-N 2.99Å; L311-G316 PolarHBondContact O-N 3.11Å
312T95.2Very high92Very high76 Ų7666.6 Ų66.647%0.46640%0.4SS..Hα-helixtrans-65.8-49.1178-54.60000111L308 E309 Y310 N314 G316L308-T312 WeakPolarHBondContact O-CB 3.36Å; L308-T312 PolarHBondContact O-N 2.8Å; L308-T312 PolarHBondContact O-OG1 2.79Å; E309-T312 PolarHBondContact O-N 3.39Å; E309-T312 VanDerWaalsContact O-N 3.16Å; Y310-T312 VanDerWaalsContact C-N 3.3Å; Y310-T312 PolarHBondContact O-N 3.46Å; T312-N314 VanDerWaalsContact C-N 3.34Å; T312-N314 PolarHBondContact O-N 3.12Å; T312-G316 VanDerWaalsContact O-CA 3.24Å; T312-G316 WeakPolarHBondContact O-CA 3.19Å; T312-G316 PolarHBondContact O-N 3.21Å
313D94.9Very high91.7Very high120 Ų12064.2 Ų64.264%0.64238%0.379SS*.Hα-helixtrans-68.6-31.1-174.8-69.8-11.8000113.5E309 Y310E309-D313 WeakPolarHBondContact O-CB 3.11Å; E309-D313 VanDerWaalsContact O-CG 3.32Å; E309-D313 PolarHBondContact O-N 2.73Å; Y310-D313 PolarHBondContact O-N 2.62Å
314N92.7Very high91.3Very high83 Ų8365.4 Ų65.444%0.44438%0.382SS..Hα-helixtrans-108.5-25.8-171.2-62.2-91.5000113.6Y310 T312Y310-N314 WeakPolarHBondContact O-CB 3.45Å; Y310-N314 PolarHBondContact O-N 3.31Å; Y310-N314 VanDerWaalsContact O-N 3.12Å; Y310-N314 PolarHBondContact O-ND2 3.31Å; T312-N314 VanDerWaalsContact C-N 3.34Å; T312-N314 PolarHBondContact O-N 3.12Å
315Y89.4Confident90.8Very high32 Ų3267.2 Ų67.213%0.12539%0.392CS..Hα-helixtrans-136.95.1-173-55.8-79.7000113L258 M286 I289 T290 E294 Y310 L311L258-Y315 HydrophobicContact CD2-CD1 4.03Å; L258-Y315 HydrophobicContact CD2-CG 4.38Å; M286-Y315 HydrophobicContact CE-CD2 3.74Å; M286-Y315 HydrophobicContact CE-CE1 4.32Å; M286-Y315 HydrophobicContact CE-CE2 3.49Å; M286-Y315 VanDerWaalsContact CE-CE2 3.49Å; M286-Y315 HydrophobicContact CE-CG 4.27Å; I289-Y315 HydrophobicContact CG2-CE1 4.11Å; T290-Y315 WeakPolarHBondContact CG2-OH 3.48Å; E294-Y315 VanDerWaalsContact CD-OH 3.31Å; E294-Y315 PolarHBondContact OE1-OH 3.23Å; Y310-Y315 HydrophobicContact CE1-CD2 4.36Å; Y310-Y315 AromaticContact CE1-CE2 3.75Å; Y310-Y315 HydrophobicContact CE1-CE2 3.75Å; L311-Y315 HydrophobicContact CD2-CD2 4.28Å; L311-Y315 CarbonylContact O-C 3.26Å; L311-Y315 VanDerWaalsContact O-C 3.26Å; L311-Y315 VanDerWaalsContact O-CA 3.3Å; L311-Y315 WeakPolarHBondContact O-CA 3.33Å; L311-Y315 WeakPolarHBondContact O-CB 3.4Å; L311-Y315 PolarHBondContact O-N 2.99Å
316G76.4Confident90.3Very high33 Ų3365.4 Ų65.434%0.3437%0.373SS..  trans-80.5140.917400000111.5L311 T312L311-G316 PolarHBondContact O-N 3.11Å; T312-G316 VanDerWaalsContact O-CA 3.24Å; T312-G316 WeakPolarHBondContact O-CA 3.19Å; T312-G316 PolarHBondContact O-N 3.21Å
317V53.1Low89.6Confident217 Ų21769.1 Ų69.1100%1.31539%0.388SS*.  trans-78.70160.6-179.80000108.3

Retrieved 317 of 317 residues in 206.9 ms (Link to these results)

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