A0A087WXR7_HUMAN Loading...

Ribonuclease H2 subunit B

Non catalytic subunit of RNase H2, an endonuclease that specifically degrades the RNA of RNA:DNA hybrids. Participates in DNA replication, possibly by mediating the removal of lagging-strand Okazaki fragment RNA primers during DNA replication. Mediates the excision of single ribonucleotides from DNA:RNA duplexes.

AlphaFold DB , UniProt , Accession A0A087WXR7, Species HUMAN (Homo sapiens, Human), Gene RNASEH2B, Length 282 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
1M42.4Very low82Confident241 Ų24196.1 Ų96.1100%1.18747%0.471SS*.  092.10-63.3170.4-165.200107.1
2K49.9Very low83Confident203 Ų20391.8 Ų91.888%0.88345%0.452SS*.  trans-112104.3-167.8-75.4-178.5175.3179.70109.4
3N65.9Low83.6Confident149 Ų14985 Ų8580%0.79742%0.418SS*.  trans5493.2165.7-56.6-6000116.5L5N3-L5 PolarHBondContact O-N 3.29Å
4G85.4Confident84.1Confident25 Ų2581.7 Ų81.726%0.25841%0.407SS..SBendtrans-73.1-7.2172.500000114.7N24 M25G4-N24 CarbonylContact O-C 3.48Å; G4-N24 WeakPolarHBondContact O-CA 3.45Å; G4-M25 PolarHBondContact O-N 3.02Å
5L92Very high84.4Confident100 Ų10080.4 Ų80.452%0.52441%0.409SS..EExtended strand (participates in β ladder)trans-110.5132.2178-73.6166.5000109.9N3 L22 F23 N24N3-L5 PolarHBondContact O-N 3.29Å; L5-L22 HydrophobicContact CB-CD1 4.25Å; L5-L22 HydrophobicContact CD2-CD1 4.23Å; L5-L22 HydrophobicContact CD2-CD2 4.42Å; L5-L22 HydrophobicContact CD2-CG 4.27Å; L5-F23 WeakPolarHBondContact CA-O 3.14Å; L5-N24 HydrophobicContact CD2-CB 3.69Å
6M93.5Very high84.6Confident69 Ų6977.4 Ų77.434%0.3441%0.405SS..EExtended strand (participates in β ladder)trans-139.7137.8178.562.3-179.5-52.400111.5V8 F23 M25 L97M6-V8 HydrophobicContact CE-CG1 3.53Å; M6-V8 HydrophobicContact CG-CG1 3.93Å; M6-V8 HydrophobicContact SD-CG1 4.04Å; M6-F23 HydrophobicContact CG-CB 4.11Å; M6-F23 PolarHBondContact N-O 2.8Å; M6-F23 PolarHBondContact O-N 3.19Å; M6-M25 HydrophobicContact CG-CG 4.32Å; M6-M25 HydrophobicContact SD-CG 3.91Å; M6-M25 HydrophobicContact SD-SD 3.72Å; M6-L97 HydrophobicContact SD-CD1 4.32Å
7F94.7Very high85.1Confident143 Ų14381.1 Ų81.163%0.62742%0.42SS*.EExtended strand (participates in β ladder)trans-81.1128.8167.6-69.5-78.4000109.3I20 Y21 L22 V33F7-I20 HydrophobicContact CB-CG2 4.42Å; F7-I20 HydrophobicContact CD1-CG2 3.98Å; F7-Y21 CarbonylContact C-O 3.54Å; F7-Y21 WeakPolarHBondContact CA-O 3.29Å; F7-L22 HydrophobicContact CD1-CB 4.09Å; F7-L22 HydrophobicContact CD1-CD1 4.05Å; F7-L22 HydrophobicContact CD2-CD1 4.39Å; F7-L22 HydrophobicContact CE1-CB 3.97Å; F7-L22 HydrophobicContact CE1-CD1 3.9Å; F7-L22 HydrophobicContact CE1-CG 4.37Å; F7-L22 HydrophobicContact CE2-CD1 4.25Å; F7-L22 HydrophobicContact CG-CD1 4.3Å; F7-L22 HydrophobicContact CZ-CD1 4.01Å; F7-V33 HydrophobicContact CD1-CG2 4.14Å; F7-V33 HydrophobicContact CE1-CG2 3.88Å
8V94.4Very high85.6Confident5 Ų578.5 Ų78.53%0.0342%0.416CS..EExtended strand (participates in β ladder)trans-127.3142.3-178.8-66.50000109.8M6 L10 Y21 F23 N94 L97M6-V8 HydrophobicContact CE-CG1 3.53Å; M6-V8 HydrophobicContact CG-CG1 3.93Å; M6-V8 HydrophobicContact SD-CG1 4.04Å; V8-L10 HydrophobicContact CG2-CD1 4.07Å; V8-L10 HydrophobicContact CG2-CG 4.09Å; V8-Y21 PolarHBondContact N-O 3.08Å; V8-Y21 PolarHBondContact O-N 3.19Å; V8-F23 HydrophobicContact CG2-CB 4.14Å; V8-N94 HydrophobicContact CB-CB 4.35Å; V8-L97 HydrophobicContact CB-CD1 4.46Å; V8-L97 HydrophobicContact CG1-CD1 3.74Å; V8-L97 HydrophobicContact CG2-CD1 4.46Å
9K94.9Very high86.1Confident119 Ų11975.8 Ų75.852%0.51741%0.406SS..EExtended strand (participates in β ladder)trans-92.4119.2171.6-164.4175-176.2179.80108.5A19 F92K9-A19 WeakPolarHBondContact CA-O 3.46Å; K9-F92 HydrophobicContact CD-CE1 4.16Å; K9-F92 HydrophobicContact CG-CD1 4.23Å; K9-F92 HydrophobicContact CG-CE1 4.06Å
10L94.7Very high86.5Confident1 Ų176.9 Ų76.91%0.00541%0.41CS..EExtended strand (participates in β ladder)trans-126.7171.2176.9-60.3173000109.4V8 G18 A19 Y21 L30 L66 N94V8-L10 HydrophobicContact CG2-CD1 4.07Å; V8-L10 HydrophobicContact CG2-CG 4.09Å; L10-G18 CarbonylContact O-C 3.58Å; L10-G18 WeakPolarHBondContact O-CA 3.23Å; L10-A19 PolarHBondContact N-O 2.72Å; L10-A19 PolarHBondContact O-N 2.99Å; L10-A19 VanDerWaalsContact O-O 3.1Å; L10-Y21 HydrophobicContact CB-CD2 3.63Å; L10-Y21 HydrophobicContact CB-CE2 3.81Å; L10-Y21 HydrophobicContact CD1-CD2 4.07Å; L10-Y21 HydrophobicContact CD1-CG 4.17Å; L10-Y21 HydrophobicContact CG-CD2 4.13Å; L10-L30 HydrophobicContact CD1-CD1 4.12Å; L10-L66 HydrophobicContact CB-CD2 4.29Å; L10-L66 HydrophobicContact CD1-CD2 3.76Å; L10-N94 VanDerWaalsContact CD2-C 3.44Å; L10-N94 HydrophobicContact CD2-CB 3.77Å; L10-N94 WeakPolarHBondContact CD2-O 3.49Å
11V94.4Very high87Confident2 Ų273.7 Ų73.71%0.01239%0.393CS..EExtended strand (participates in β ladder)trans-70.7138.9175.5710000111.4P13 E17 Y70 F92V11-P13 WeakPolarHBondContact O-CD 3.41Å; V11-E17 CarbonylContact C-O 3.58Å; V11-Y70 HydrophobicContact CG1-CE2 4.04Å; V11-Y70 WeakPolarHBondContact CG1-OH 3.49Å; V11-F92 HydrophobicContact CB-CD2 4.07Å; V11-F92 HydrophobicContact CB-CE2 4.35Å; V11-F92 HydrophobicContact CG2-CE2 4.46Å
12N94.2Very high89.5Confident45 Ų4563.3 Ų63.324%0.24134%0.342CS..  trans-77.2119.2164.6-179-18.2000108.2C14 S15 G16 E17 A19N12-C14 PolarHBondContact O-N 2.8Å; N12-C14 PolarHBondContact OD1-N 3.17Å; N12-C14 VanDerWaalsContact OD1-N 3.13Å; N12-S15 WeakPolarHBondContact CB-OG 3.48Å; N12-S15 PolarHBondContact ND2-OG 3.22Å; N12-G16 WeakPolarHBondContact O-CA 3.39Å; N12-G16 PolarHBondContact O-N 2.84Å; N12-E17 WeakPolarHBondContact CB-O 3.48Å; N12-E17 PolarHBondContact N-O 2.97Å; N12-A19 HydrophobicContact CB-CB 4.14Å
13P90.7Very high91.6Very high3 Ų353.8 Ų53.82%0.01930%0.3CS..THydrogen-bonded Turntrans-58.1-31.3-175.5-27.136.3000115.2V11 F65 L66 H69 Y189V11-P13 WeakPolarHBondContact O-CD 3.41Å; P13-F65 WeakPolarHBondContact CB-O 3.35Å; P13-F65 HydrophobicContact CG-CB 4.24Å; P13-F65 WeakPolarHBondContact CG-O 3.29Å; P13-L66 HydrophobicContact CG-CD1 4.12Å; P13-L66 HydrophobicContact CG-CG 4.03Å; P13-H69 HydrophobicContact CB-CB 4.49Å; P13-Y189 VanDerWaalsContact CB-O 3.31Å; P13-Y189 WeakPolarHBondContact CB-O 3.32Å
14C90.5Very high92.9Very high39 Ų3947.7 Ų47.726%0.26427%0.268SS..THydrogen-bonded Turntrans-82.7-50.6-177.6177.70000112.3N12 S187 D188 I190N12-C14 PolarHBondContact O-N 2.8Å; N12-C14 PolarHBondContact OD1-N 3.17Å; N12-C14 VanDerWaalsContact OD1-N 3.13Å; C14-S187 PolarHBondContact SG-O 3.18Å; C14-S187 VanDerWaalsContact SG-O 3.36Å; C14-D188 WeakPolarHBondContact CB-O 3.44Å; C14-I190 WeakPolarHBondContact CB-O 3.47Å; C14-I190 PolarHBondContact SG-O 2.97Å; C14-I190 VanDerWaalsContact SG-O 3.35Å
15S88.8Confident93Very high62 Ų6250 Ų5043%0.43427%0.273SS..THydrogen-bonded Turntrans-91.1-20.7-175.366.30000114.6N12 E17N12-S15 WeakPolarHBondContact CB-OG 3.48Å; N12-S15 PolarHBondContact ND2-OG 3.22Å; S15-E17 PolarHBondContact O-N 2.98Å; S15-E17 PolarHBondContact OG-N 3.05Å
16G87.6Confident92.7Very high33 Ų3350 Ų5034%0.3428%0.28SS..  trans74.62-170.700000114.3N12N12-G16 WeakPolarHBondContact O-CA 3.39Å; N12-G16 PolarHBondContact O-N 2.84Å
17E92.3Very high92.3Very high140 Ų14051.9 Ų51.965%0.65429%0.291SS*.SBendtrans-85.2164.5178.8-61.6-177.1166.800111.9V11 N12 S15 A19V11-E17 CarbonylContact C-O 3.58Å; N12-E17 WeakPolarHBondContact CB-O 3.48Å; N12-E17 PolarHBondContact N-O 2.97Å; S15-E17 PolarHBondContact O-N 2.98Å; S15-E17 PolarHBondContact OG-N 3.05Å; E17-A19 PolarHBondContact O-N 3.09Å
18G93.6Very high92Very high34 Ų3448.7 Ų48.735%0.35128%0.278SS..EExtended strand (participates in β ladder)trans-77.7120.2179.500000113L10L10-G18 CarbonylContact O-C 3.58Å; L10-G18 WeakPolarHBondContact O-CA 3.23Å
19A95Very high91.9Very high27 Ų2752.9 Ų52.922%0.22330%0.297CS..EExtended strand (participates in β ladder)trans-113157.5173.600000111.9K9 L10 N12 E17 Y21K9-A19 WeakPolarHBondContact CA-O 3.46Å; L10-A19 PolarHBondContact N-O 2.72Å; L10-A19 PolarHBondContact O-N 2.99Å; L10-A19 VanDerWaalsContact O-O 3.1Å; N12-A19 HydrophobicContact CB-CB 4.14Å; E17-A19 PolarHBondContact O-N 3.09Å; A19-Y21 HydrophobicContact CB-CE2 3.76Å
20I95.7Very high91.8Very high98 Ų9847.7 Ų47.750%0.50328%0.275SS..EExtended strand (participates in β ladder)trans-92.6130.2179.5-56.7177.9000109.1F7 V33F7-I20 HydrophobicContact CB-CG2 4.42Å; F7-I20 HydrophobicContact CD1-CG2 3.98Å; I20-V33 HydrophobicContact CG2-CB 4.39Å; I20-V33 HydrophobicContact CG2-CG2 4.15Å; I20-V33 WeakPolarHBondContact O-CB 3.37Å; I20-V33 PolarHBondContact O-N 3.04Å
21Y96Very high91.8Very high9 Ų949.5 Ų49.54%0.03528%0.283CS..EExtended strand (participates in β ladder)trans-123.7154.4174.5-65.9-96.2000109.4F7 V8 L10 A19 L30 F31 E32 V61 L66F7-Y21 CarbonylContact C-O 3.54Å; F7-Y21 WeakPolarHBondContact CA-O 3.29Å; V8-Y21 PolarHBondContact N-O 3.08Å; V8-Y21 PolarHBondContact O-N 3.19Å; L10-Y21 HydrophobicContact CB-CD2 3.63Å; L10-Y21 HydrophobicContact CB-CE2 3.81Å; L10-Y21 HydrophobicContact CD1-CD2 4.07Å; L10-Y21 HydrophobicContact CD1-CG 4.17Å; L10-Y21 HydrophobicContact CG-CD2 4.13Å; A19-Y21 HydrophobicContact CB-CE2 3.76Å; Y21-L30 HydrophobicContact CD1-CD1 4.24Å; Y21-L30 HydrophobicContact CD1-CG 4.35Å; Y21-L30 HydrophobicContact CG-CD1 4.37Å; Y21-F31 CarbonylContact C-O 3.3Å; Y21-F31 VanDerWaalsContact CA-O 3.28Å; Y21-F31 WeakPolarHBondContact CA-O 3.43Å; Y21-F31 WeakPolarHBondContact CB-O 3.14Å; Y21-F31 WeakPolarHBondContact CD1-O 3.43Å; Y21-E32 HydrophobicContact CD1-CB 3.9Å; Y21-E32 HydrophobicContact CE1-CB 3.76Å; Y21-V61 HydrophobicContact CD1-CG1 4.24Å; Y21-V61 HydrophobicContact CE1-CG1 4.21Å; Y21-L66 HydrophobicContact CE1-CD1 4.16Å; Y21-L66 HydrophobicContact CE1-CD2 4.18Å; Y21-L66 HydrophobicContact CE2-CD2 4.41Å
22L95.5Very high91.9Very high24 Ų2450.3 Ų50.313%0.12629%0.287CS..EExtended strand (participates in β ladder)trans-107.2121.6170.9174.568.2000108L5 F7 F31 V33 A58L5-L22 HydrophobicContact CB-CD1 4.25Å; L5-L22 HydrophobicContact CD2-CD1 4.23Å; L5-L22 HydrophobicContact CD2-CD2 4.42Å; L5-L22 HydrophobicContact CD2-CG 4.27Å; F7-L22 HydrophobicContact CD1-CB 4.09Å; F7-L22 HydrophobicContact CD1-CD1 4.05Å; F7-L22 HydrophobicContact CD2-CD1 4.39Å; F7-L22 HydrophobicContact CE1-CB 3.97Å; F7-L22 HydrophobicContact CE1-CD1 3.9Å; F7-L22 HydrophobicContact CE1-CG 4.37Å; F7-L22 HydrophobicContact CE2-CD1 4.25Å; F7-L22 HydrophobicContact CG-CD1 4.3Å; F7-L22 HydrophobicContact CZ-CD1 4.01Å; L22-F31 HydrophobicContact CB-CB 4.14Å; L22-F31 PolarHBondContact N-O 2.9Å; L22-F31 PolarHBondContact O-N 3.47Å; L22-V33 HydrophobicContact CB-CG2 4.28Å; L22-A58 HydrophobicContact CD2-CB 4.01Å
23F94.1Very high92.1Very high2 Ų249.7 Ų49.71%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-110.7130.1179.5-168.1-95.4000110.4L5 M6 V8 M25 L30 L97 L101L5-F23 WeakPolarHBondContact CA-O 3.14Å; M6-F23 HydrophobicContact CG-CB 4.11Å; M6-F23 PolarHBondContact N-O 2.8Å; M6-F23 PolarHBondContact O-N 3.19Å; V8-F23 HydrophobicContact CG2-CB 4.14Å; F23-M25 HydrophobicContact CD1-CG 3.99Å; F23-M25 HydrophobicContact CD1-SD 3.37Å; F23-M25 WeakPolarHBondContact CD1-SD 3.28Å; F23-M25 HydrophobicContact CE1-CG 4.27Å; F23-M25 HydrophobicContact CE1-SD 3.36Å; F23-M25 WeakPolarHBondContact CE1-SD 3.49Å; F23-L30 HydrophobicContact CD2-CB 4.43Å; F23-L30 HydrophobicContact CD2-CD1 3.87Å; F23-L97 HydrophobicContact CD1-CD1 4.37Å; F23-L97 HydrophobicContact CD2-CB 4.48Å; F23-L97 HydrophobicContact CE1-CD2 4.37Å; F23-L97 HydrophobicContact CE2-CB 4.23Å; F23-L97 HydrophobicContact CG-CD1 4.33Å; F23-L97 HydrophobicContact CZ-CB 4.27Å; F23-L101 HydrophobicContact CE2-CD2 3.94Å; F23-L101 HydrophobicContact CZ-CD2 4.42Å
24N92.4Very high92.3Very high22 Ų2253.6 Ų53.612%0.11830%0.301CS..EExtended strand (participates in β ladder)trans-96.3105.6170.9-174.5-17.8000109.3G4 L5 C26 L27 Q28 Q29G4-N24 CarbonylContact O-C 3.48Å; G4-N24 WeakPolarHBondContact O-CA 3.45Å; L5-N24 HydrophobicContact CD2-CB 3.69Å; N24-C26 VanDerWaalsContact C-N 3.3Å; N24-C26 PolarHBondContact O-N 3.2Å; N24-C26 WeakPolarHBondContact OD1-CB 3.43Å; N24-C26 PolarHBondContact OD1-N 3.29Å; N24-L27 PolarHBondContact OD1-N 3.13Å; N24-Q28 WeakPolarHBondContact O-CA 3.42Å; N24-Q28 PolarHBondContact O-N 3.1Å; N24-Q29 HydrophobicContact CB-CB 4.26Å; N24-Q29 PolarHBondContact N-O 2.87Å; N24-Q29 PolarHBondContact O-N 3.18Å
25M87.6Confident92.5Very high73 Ų7355.2 Ų55.236%0.3631%0.31SS..THydrogen-bonded Turntrans-65-29.8178.7-66.3-64.9-61.600113.3G4 M6 F23 L97G4-M25 PolarHBondContact O-N 3.02Å; M6-M25 HydrophobicContact CG-CG 4.32Å; M6-M25 HydrophobicContact SD-CG 3.91Å; M6-M25 HydrophobicContact SD-SD 3.72Å; F23-M25 HydrophobicContact CD1-CG 3.99Å; F23-M25 HydrophobicContact CD1-SD 3.37Å; F23-M25 WeakPolarHBondContact CD1-SD 3.28Å; F23-M25 HydrophobicContact CE1-CG 4.27Å; F23-M25 HydrophobicContact CE1-SD 3.36Å; F23-M25 WeakPolarHBondContact CE1-SD 3.49Å; M25-L97 HydrophobicContact CE-CD2 4.33Å; M25-L97 HydrophobicContact SD-CD2 3.91Å
26C85.5Confident92.8Very high100 Ų10057 Ų5768%0.67631%0.31SS*.THydrogen-bonded Turntrans-77.7-45.7-176.7-620000111.8N24N24-C26 VanDerWaalsContact C-N 3.3Å; N24-C26 PolarHBondContact O-N 3.2Å; N24-C26 WeakPolarHBondContact OD1-CB 3.43Å; N24-C26 PolarHBondContact OD1-N 3.29Å
27L86.4Confident93.1Very high109 Ų10963.4 Ų63.457%0.57133%0.328SS*.THydrogen-bonded Turntrans-95.8-4.8-179.5-59.5-179.3000113N24 Q29N24-L27 PolarHBondContact OD1-N 3.13Å; L27-Q29 VanDerWaalsContact C-N 3.27Å; L27-Q29 HydrophobicContact CB-CG 3.96Å; L27-Q29 PolarHBondContact O-N 2.78Å
28Q88.1Confident93.2Very high76 Ų7661.8 Ų61.836%0.35532%0.321SS..THydrogen-bonded Turntrans52.247.2-175.9-61.2170.4-2200111.7N24 K100 L101 P102N24-Q28 WeakPolarHBondContact O-CA 3.42Å; N24-Q28 PolarHBondContact O-N 3.1Å; Q28-K100 WeakPolarHBondContact CG-O 3.36Å; Q28-K100 PolarHBondContact NE2-O 2.81Å; Q28-K100 VanDerWaalsContact NE2-O 3.17Å; Q28-K100 PolarHBondContact OE1-O 2.95Å; Q28-K100 VanDerWaalsContact OE1-O 3.09Å; Q28-L101 WeakPolarHBondContact O-CD2 3.42Å; Q28-P102 HydrophobicContact CB-CG 4.36Å
29Q90.8Very high93.1Very high92 Ų9268.5 Ų68.543%0.4334%0.34SS..EExtended strand (participates in β ladder)trans-108.1139.8179.2-69.6177.3-43.500110.5N24 L27 F31N24-Q29 HydrophobicContact CB-CB 4.26Å; N24-Q29 PolarHBondContact N-O 2.87Å; N24-Q29 PolarHBondContact O-N 3.18Å; L27-Q29 VanDerWaalsContact C-N 3.27Å; L27-Q29 HydrophobicContact CB-CG 3.96Å; L27-Q29 PolarHBondContact O-N 2.78Å; Q29-F31 HydrophobicContact CB-CD2 4.43Å; Q29-F31 HydrophobicContact CB-CE2 3.59Å; Q29-F31 HydrophobicContact CB-CZ 4.1Å
30L93.8Very high93Very high10 Ų1076.2 Ų76.25%0.05237%0.371CS..EExtended strand (participates in β ladder)trans-109.4131.4178.8-175.170000110.1L10 Y21 F23 V61 P63 L66 L98L10-L30 HydrophobicContact CD1-CD1 4.12Å; Y21-L30 HydrophobicContact CD1-CD1 4.24Å; Y21-L30 HydrophobicContact CD1-CG 4.35Å; Y21-L30 HydrophobicContact CG-CD1 4.37Å; F23-L30 HydrophobicContact CD2-CB 4.43Å; F23-L30 HydrophobicContact CD2-CD1 3.87Å; L30-V61 HydrophobicContact CB-CG1 4.31Å; L30-V61 HydrophobicContact CD2-CG1 3.76Å; L30-V61 HydrophobicContact CG-CG1 3.7Å; L30-V61 PolarHBondContact O-N 2.97Å; L30-P63 HydrophobicContact CD2-CB 4.38Å; L30-L66 HydrophobicContact CD2-CD1 4.14Å; L30-L66 HydrophobicContact CD2-CD2 3.81Å; L30-L98 HydrophobicContact CD2-CD2 4.02Å
31F95.6Very high92.9Very high40 Ų4075.5 Ų75.518%0.17537%0.366CS..EExtended strand (participates in β ladder)trans-124.9138.8175.9-58.4-99.6000108.9Y21 L22 Q29 T59 P60Y21-F31 CarbonylContact C-O 3.3Å; Y21-F31 VanDerWaalsContact CA-O 3.28Å; Y21-F31 WeakPolarHBondContact CA-O 3.43Å; Y21-F31 WeakPolarHBondContact CB-O 3.14Å; Y21-F31 WeakPolarHBondContact CD1-O 3.43Å; L22-F31 HydrophobicContact CB-CB 4.14Å; L22-F31 PolarHBondContact N-O 2.9Å; L22-F31 PolarHBondContact O-N 3.47Å; Q29-F31 HydrophobicContact CB-CD2 4.43Å; Q29-F31 HydrophobicContact CB-CE2 3.59Å; Q29-F31 HydrophobicContact CB-CZ 4.1Å; F31-T59 CarbonylContact C-O 3.45Å; F31-T59 WeakPolarHBondContact CA-O 3.45Å; F31-T59 WeakPolarHBondContact CB-O 3.19Å; F31-P60 HydrophobicContact CD1-CB 4.26Å; F31-P60 HydrophobicContact CD1-CG 4.02Å; F31-P60 HydrophobicContact CE1-CB 4.28Å; F31-P60 HydrophobicContact CE1-CG 3.84Å
32E96.3Very high92.9Very high18 Ų1878.5 Ų78.58%0.08439%0.388CS..EExtended strand (participates in β ladder)trans-87.2150.7168.965.2175.1173.500110.5Y21 K34 A58 T59 V61 Y189Y21-E32 HydrophobicContact CD1-CB 3.9Å; Y21-E32 HydrophobicContact CE1-CB 3.76Å; E32-K34 HydrophobicContact CG-CG 4.46Å; E32-K34 WeakPolarHBondContact OE1-CE 3.36Å; E32-K34 WeakPolarHBondContact OE2-CE 3.29Å; E32-K34 IonicContact OE2-NZ 2.98Å; E32-K34 PolarHBondContact OE2-NZ 2.97Å; E32-A58 WeakPolarHBondContact O-CA 3.32Å; E32-T59 WeakPolarHBondContact CG-OG1 3.45Å; E32-T59 PolarHBondContact N-O 3.34Å; E32-T59 PolarHBondContact O-N 3.42Å; E32-T59 PolarHBondContact OE1-OG1 3.09Å; E32-V61 HydrophobicContact CB-CB 4.11Å; E32-V61 HydrophobicContact CB-CG1 4.26Å; E32-V61 HydrophobicContact CG-CB 4.11Å; E32-Y189 PolarHBondContact OE1-OH 2.93Å; E32-Y189 VanDerWaalsContact OE1-OH 3.12Å; E32-Y189 VanDerWaalsContact OE2-CE1 3.32Å; E32-Y189 WeakPolarHBondContact OE2-CE1 3.21Å
33V97Very high92.9Very high32 Ų3282.9 Ų82.919%0.19440%0.403CS..EExtended strand (participates in β ladder)trans-107.2110.3175.9-175.30000109.2F7 I20 L22 F57F7-V33 HydrophobicContact CD1-CG2 4.14Å; F7-V33 HydrophobicContact CE1-CG2 3.88Å; I20-V33 HydrophobicContact CG2-CB 4.39Å; I20-V33 HydrophobicContact CG2-CG2 4.15Å; I20-V33 WeakPolarHBondContact O-CB 3.37Å; I20-V33 PolarHBondContact O-N 3.04Å; L22-V33 HydrophobicContact CB-CG2 4.28Å; V33-F57 CarbonylContact C-O 3.55Å; V33-F57 VanDerWaalsContact CA-O 3.29Å; V33-F57 WeakPolarHBondContact CA-O 3.42Å
34K95.3Very high93.1Very high86 Ų8690.8 Ų90.837%0.37444%0.438SS..EExtended strand (participates in β ladder)trans-101.2148.2173.2-63.4-73.7176.9173.60109.9E32 H56 F57E32-K34 HydrophobicContact CG-CG 4.46Å; E32-K34 WeakPolarHBondContact OE1-CE 3.36Å; E32-K34 WeakPolarHBondContact OE2-CE 3.29Å; E32-K34 IonicContact OE2-NZ 2.98Å; E32-K34 PolarHBondContact OE2-NZ 2.97Å; K34-H56 CarbonylContact O-C 3.58Å; K34-H56 WeakPolarHBondContact O-CA 3.41Å; K34-F57 PolarHBondContact N-O 3.41Å; K34-F57 PolarHBondContact O-N 3.17Å
35V95.7Very high93.2Very high73 Ų7393.6 Ų93.644%0.44245%0.452SS..EExtended strand (participates in β ladder)trans-123.7119.2-179.6-172.20000109.2L54 L55 H56V35-L54 HydrophobicContact CG1-CB 4.07Å; V35-L54 HydrophobicContact CG1-CD2 4.17Å; V35-L55 WeakPolarHBondContact CA-O 3.42Å; V35-H56 VanDerWaalsContact CG2-CD2 3.42Å; V35-H56 WeakPolarHBondContact CG2-CD2 3.42Å
36F95Very high93.7Very high98 Ų9897.6 Ų97.643%0.4348%0.475SS..EExtended strand (participates in β ladder)trans-78.1127.7166172.9-95.7000109.2E38 L54 L55 F57F36-E38 HydrophobicContact CE1-CB 4.03Å; F36-E38 HydrophobicContact CZ-CB 3.79Å; F36-E38 WeakPolarHBondContact CZ-OE2 3.5Å; F36-L54 WeakPolarHBondContact O-CA 3.29Å; F36-L55 HydrophobicContact CB-CB 4.22Å; F36-L55 HydrophobicContact CD1-CB 4.38Å; F36-L55 PolarHBondContact N-O 2.75Å; F36-L55 PolarHBondContact O-N 2.95Å; F36-L55 VanDerWaalsContact O-N 3.11Å; F36-F57 HydrophobicContact CB-CE2 3.82Å
37K93.7Very high94.2Very high169 Ų169102.2 Ų102.274%0.73549%0.487SS*.  trans-141.1116.7-177.8-179.5175.8-177.4-177.90109.5L54K37-L54 HydrophobicContact CB-CD2 3.69Å; K37-L54 HydrophobicContact CD-CD2 3.85Å; K37-L54 HydrophobicContact CG-CD2 3.54Å
38E93.2Very high94.7Very high106 Ų106100.2 Ų100.250%0.49548%0.481SS..  trans-127153.7176.5-172.6168.6-153.600110.3F36 H41F36-E38 HydrophobicContact CE1-CB 4.03Å; F36-E38 HydrophobicContact CZ-CB 3.79Å; F36-E38 WeakPolarHBondContact CZ-OE2 3.5Å; E38-H41 WeakPolarHBondContact CG-NE2 3.37Å; E38-H41 IonicContact OE2-CD2 3.72Å; E38-H41 IonicContact OE2-CE1 3.94Å; E38-H41 IonicContact OE2-NE2 2.83Å; E38-H41 PolarHBondContact OE2-NE2 3.37Å
39K93.3Very high95Very high174 Ų174101.2 Ų101.276%0.75749%0.493SS*.THydrogen-bonded Turntrans-73.7143.2-176.9-69.1-178.5178.9178.50110.8H41K39-H41 PolarHBondContact O-CD2 2.91Å
40H93.1Very high95.2Very high189 Ų189101.9 Ų101.988%0.87550%0.496SS*.THydrogen-bonded Turntrans65.135.9175.7-48.7-71.5000115.4
41H93.2Very high95.2Very high83 Ų83105.6 Ų105.638%0.38452%0.523SS..  trans-110.3153.2172.7-70-90000112.9E38 K39 G52 G53E38-H41 WeakPolarHBondContact CG-NE2 3.37Å; E38-H41 IonicContact OE2-CD2 3.72Å; E38-H41 IonicContact OE2-CE1 3.94Å; E38-H41 IonicContact OE2-NE2 2.83Å; E38-H41 PolarHBondContact OE2-NE2 3.37Å; K39-H41 PolarHBondContact O-CD2 2.91Å; H41-G52 CarbonylContact O-C 3.31Å; H41-G52 VanDerWaalsContact O-C 3.31Å; H41-G52 PolarHBondContact O-N 3.14Å; H41-G53 PolarHBondContact O-N 3.5Å
42S95.1Very high94.9Very high73 Ų73105.4 Ų105.451%0.5153%0.532SS..EExtended strand (participates in β ladder)trans-152.3153.2173.2-69.50000109.5
43W96.6Very high94.7Very high115 Ų115104.8 Ų104.844%0.43653%0.53SS..EExtended strand (participates in β ladder)trans-106.1137.7176.9-70.6109.2000110.5I45 V49 Q50 G53 L54 L55W43-I45 HydrophobicContact CB-CD1 4.28Å; W43-I45 HydrophobicContact CB-CG1 3.94Å; W43-V49 WeakPolarHBondContact O-CA 3.47Å; W43-Q50 HydrophobicContact CB-CB 4.23Å; W43-Q50 PolarHBondContact N-O 2.94Å; W43-Q50 PolarHBondContact O-N 2.8Å; W43-G53 VanDerWaalsContact NE1-C 3.27Å; W43-G53 PolarHBondContact NE1-O 3.43Å; W43-L54 PolarHBondContact NE1-O 3.34Å; W43-L55 HydrophobicContact CZ2-CB 4.3Å; W43-L55 HydrophobicContact CZ2-CD1 4.48Å
44F96.9Very high94.6Very high168 Ų168106.6 Ų106.674%0.73754%0.538SS*.EExtended strand (participates in β ladder)trans-95.1110.8160.7-73.8-0.5000107.9V49F44-V49 HydrophobicContact CD1-CB 4.13Å; F44-V49 HydrophobicContact CD1-CG1 3.87Å; F44-V49 HydrophobicContact CD1-CG2 3.57Å; F44-V49 HydrophobicContact CE1-CB 4.12Å; F44-V49 HydrophobicContact CE1-CG1 3.68Å; F44-V49 HydrophobicContact CE1-CG2 3.38Å; F44-V49 HydrophobicContact CZ-CG2 4.27Å
45I96.2Very high94.6Very high82 Ų82105.7 Ų105.742%0.42154%0.537SS..EExtended strand (participates in β ladder)trans-110.398.6-179.7-54176.2000106.8W43 Q47 S48 Q50W43-I45 HydrophobicContact CB-CD1 4.28Å; W43-I45 HydrophobicContact CB-CG1 3.94Å; I45-Q47 PolarHBondContact O-N 2.94Å; I45-Q47 VanDerWaalsContact O-N 3.1Å; I45-S48 PolarHBondContact N-O 2.9Å; I45-S48 PolarHBondContact O-N 3.34Å; I45-S48 PolarHBondContact O-OG 3.25Å; I45-Q50 HydrophobicContact CD1-CB 3.85Å; I45-Q50 HydrophobicContact CD1-CG 4.4Å; I45-Q50 HydrophobicContact CG1-CB 4.47Å
46N96.1Very high94.6Very high156 Ų156107.9 Ų107.983%0.83454%0.542SS*.THydrogen-bonded Turntrans53.8-111.9-173.7-56.7-39.8000111.5
47Q96.6Very high94.6Very high198 Ų198107.7 Ų107.793%0.92554%0.541SS*.THydrogen-bonded Turntrans-97.715.2-179.4-57.5-61.1-20.600113.1I45I45-Q47 PolarHBondContact O-N 2.94Å; I45-Q47 VanDerWaalsContact O-N 3.1Å
48S96.3Very high94.8Very high66 Ų66102.2 Ų102.246%0.46253%0.528SS..EExtended strand (participates in β ladder)trans-127.2153.3-17869.80000111.9I45I45-S48 PolarHBondContact N-O 2.9Å; I45-S48 PolarHBondContact O-N 3.34Å; I45-S48 PolarHBondContact O-OG 3.25Å
49V95.9Very high94.9Very high98 Ų9899.6 Ų99.659%0.59452%0.519SS*.EExtended strand (participates in β ladder)trans-111.1119175.3-1770000108.7W43 F44W43-V49 WeakPolarHBondContact O-CA 3.47Å; F44-V49 HydrophobicContact CD1-CB 4.13Å; F44-V49 HydrophobicContact CD1-CG1 3.87Å; F44-V49 HydrophobicContact CD1-CG2 3.57Å; F44-V49 HydrophobicContact CE1-CB 4.12Å; F44-V49 HydrophobicContact CE1-CG1 3.68Å; F44-V49 HydrophobicContact CE1-CG2 3.38Å; F44-V49 HydrophobicContact CZ-CG2 4.27Å
50Q94.9Very high95Very high105 Ų10596.1 Ų96.149%0.49152%0.515SS..EExtended strand (participates in β ladder)trans-99.1114.1175177.664.246.500109.3W43 I45W43-Q50 HydrophobicContact CB-CB 4.23Å; W43-Q50 PolarHBondContact N-O 2.94Å; W43-Q50 PolarHBondContact O-N 2.8Å; I45-Q50 HydrophobicContact CD1-CB 3.85Å; I45-Q50 HydrophobicContact CD1-CG 4.4Å; I45-Q50 HydrophobicContact CG1-CB 4.47Å
51S92.3Very high95Very high89 Ų8988 Ų8862%0.62248%0.478SS*.EExtended strand (participates in β ladder)trans-66.4148.8176600000111.9
52G89.6Confident95.1Very high36 Ų3685.7 Ų85.737%0.37147%0.469SS..THydrogen-bonded Turntrans98-15.616800000115.3H41 L54H41-G52 CarbonylContact O-C 3.31Å; H41-G52 VanDerWaalsContact O-C 3.31Å; H41-G52 PolarHBondContact O-N 3.14Å; G52-L54 PolarHBondContact O-N 2.9Å
53G91.9Very high95Very high4 Ų483.3 Ų83.34%0.04145%0.451CS..  trans60.919.9170.700000115.1H41 W43H41-G53 PolarHBondContact O-N 3.5Å; W43-G53 VanDerWaalsContact NE1-C 3.27Å; W43-G53 PolarHBondContact NE1-O 3.43Å
54L94.9Very high94.8Very high70 Ų7077.9 Ų77.937%0.36643%0.431SS..  trans-68.9137.1-175.9-56.8178.6000110.5V35 F36 K37 W43 G52V35-L54 HydrophobicContact CG1-CB 4.07Å; V35-L54 HydrophobicContact CG1-CD2 4.17Å; F36-L54 WeakPolarHBondContact O-CA 3.29Å; K37-L54 HydrophobicContact CB-CD2 3.69Å; K37-L54 HydrophobicContact CD-CD2 3.85Å; K37-L54 HydrophobicContact CG-CD2 3.54Å; W43-L54 PolarHBondContact NE1-O 3.34Å; G52-L54 PolarHBondContact O-N 2.9Å
55L95.9Very high94.7Very high67 Ų6770.6 Ų70.635%0.35140%0.399SS..EExtended strand (participates in β ladder)trans-122.8118.3173.5178.961.1000109.3V35 F36 W43 F57V35-L55 WeakPolarHBondContact CA-O 3.42Å; F36-L55 HydrophobicContact CB-CB 4.22Å; F36-L55 HydrophobicContact CD1-CB 4.38Å; F36-L55 PolarHBondContact N-O 2.75Å; F36-L55 PolarHBondContact O-N 2.95Å; F36-L55 VanDerWaalsContact O-N 3.11Å; W43-L55 HydrophobicContact CZ2-CB 4.3Å; W43-L55 HydrophobicContact CZ2-CD1 4.48Å; L55-F57 HydrophobicContact CB-CE2 4.25Å; L55-F57 HydrophobicContact CD2-CE1 4.15Å; L55-F57 HydrophobicContact CD2-CE2 3.8Å; L55-F57 HydrophobicContact CD2-CZ 3.34Å; L55-F57 HydrophobicContact CG-CD2 4.44Å; L55-F57 HydrophobicContact CG-CE1 4.38Å; L55-F57 HydrophobicContact CG-CE2 3.68Å; L55-F57 HydrophobicContact CG-CZ 3.66Å
56H95.5Very high94.6Very high119 Ų11966.8 Ų66.855%0.55138%0.379SS*.EExtended strand (participates in β ladder)trans-93.7134.6-178.4-61.878.3000109.9K34 V35K34-H56 CarbonylContact O-C 3.58Å; K34-H56 WeakPolarHBondContact O-CA 3.41Å; V35-H56 VanDerWaalsContact CG2-CD2 3.42Å; V35-H56 WeakPolarHBondContact CG2-CD2 3.42Å
57F96.5Very high94.4Very high94 Ų9459.4 Ų59.441%0.41234%0.34SS..EExtended strand (participates in β ladder)trans-118.3128.4176.1-63.9-87.3000109V33 K34 F36 L55 T59V33-F57 CarbonylContact C-O 3.55Å; V33-F57 VanDerWaalsContact CA-O 3.29Å; V33-F57 WeakPolarHBondContact CA-O 3.42Å; K34-F57 PolarHBondContact N-O 3.41Å; K34-F57 PolarHBondContact O-N 3.17Å; F36-F57 HydrophobicContact CB-CE2 3.82Å; L55-F57 HydrophobicContact CB-CE2 4.25Å; L55-F57 HydrophobicContact CD2-CE1 4.15Å; L55-F57 HydrophobicContact CD2-CE2 3.8Å; L55-F57 HydrophobicContact CD2-CZ 3.34Å; L55-F57 HydrophobicContact CG-CD2 4.44Å; L55-F57 HydrophobicContact CG-CE1 4.38Å; L55-F57 HydrophobicContact CG-CE2 3.68Å; L55-F57 HydrophobicContact CG-CZ 3.66Å; F57-T59 HydrophobicContact CB-CG2 4.36Å
58A95.8Very high94.3Very high55 Ų5550 Ų5046%0.45530%0.296SS..EExtended strand (participates in β ladder)trans-101.3100.3168.600000108.3L22 E32L22-A58 HydrophobicContact CD2-CB 4.01Å; E32-A58 WeakPolarHBondContact O-CA 3.32Å
59T95.6Very high94.1Very high50 Ų5048.7 Ų48.731%0.30728%0.283SS..EExtended strand (participates in β ladder)trans-106.1141.1-177.347.60000110.5F31 E32 F57 V61F31-T59 CarbonylContact C-O 3.45Å; F31-T59 WeakPolarHBondContact CA-O 3.45Å; F31-T59 WeakPolarHBondContact CB-O 3.19Å; E32-T59 WeakPolarHBondContact CG-OG1 3.45Å; E32-T59 PolarHBondContact N-O 3.34Å; E32-T59 PolarHBondContact O-N 3.42Å; E32-T59 PolarHBondContact OE1-OG1 3.09Å; F57-T59 HydrophobicContact CB-CG2 4.36Å; T59-V61 PolarHBondContact O-N 3.4Å
60P95.1Very high93.9Very high102 Ų10244.1 Ų44.166%0.66226%0.255SS*.EExtended strand (participates in β ladder)trans-59.2136.4173.9-18.929.3000110.4F31F31-P60 HydrophobicContact CD1-CB 4.26Å; F31-P60 HydrophobicContact CD1-CG 4.02Å; F31-P60 HydrophobicContact CE1-CB 4.28Å; F31-P60 HydrophobicContact CE1-CG 3.84Å
61V94.6Very high93.8Very high17 Ų1739.4 Ų39.410%0.10323%0.233CC..  trans-121.4142.3176.965.30000109.9Y21 L30 E32 T59 P63 L66Y21-V61 HydrophobicContact CD1-CG1 4.24Å; Y21-V61 HydrophobicContact CE1-CG1 4.21Å; L30-V61 HydrophobicContact CB-CG1 4.31Å; L30-V61 HydrophobicContact CD2-CG1 3.76Å; L30-V61 HydrophobicContact CG-CG1 3.7Å; L30-V61 PolarHBondContact O-N 2.97Å; E32-V61 HydrophobicContact CB-CB 4.11Å; E32-V61 HydrophobicContact CB-CG1 4.26Å; E32-V61 HydrophobicContact CG-CB 4.11Å; T59-V61 PolarHBondContact O-N 3.4Å; V61-P63 WeakPolarHBondContact O-CD 3.47Å; V61-L66 HydrophobicContact CG2-CD1 4.41Å
62D94.1Very high93.8Very high36 Ų3637.2 Ų37.219%0.19321%0.214CC..  trans-71115.8173.4-171.3-25.3000109.2L64 F65 K140D62-L64 PolarHBondContact O-N 3.2Å; D62-L64 VanDerWaalsContact O-N 3.1Å; D62-L64 VanDerWaalsContact OD1-CB 3.25Å; D62-L64 WeakPolarHBondContact OD1-CB 3.46Å; D62-L64 PolarHBondContact OD1-N 2.8Å; D62-F65 HydrophobicContact CB-CD2 3.86Å; D62-F65 HydrophobicContact CB-CE2 4.02Å; D62-F65 PolarHBondContact O-N 3.15Å; D62-K140 WeakPolarHBondContact OD2-CE 3.38Å; D62-K140 IonicContact OD2-NZ 3.81Å; D62-K140 PolarHBondContact OD2-NZ 3.04Å
63P92.8Very high93.8Very high22 Ų2240.1 Ų40.114%0.14322%0.216CC..Hα-helixtrans-63.9-17.3-177.227.9-36.6000113.2L30 V61 F65 L66 L67 L101 L107L30-P63 HydrophobicContact CD2-CB 4.38Å; V61-P63 WeakPolarHBondContact O-CD 3.47Å; P63-F65 PolarHBondContact O-N 3.39Å; P63-L66 PolarHBondContact O-N 2.97Å; P63-L66 VanDerWaalsContact O-N 3.09Å; P63-L67 PolarHBondContact O-N 3.1Å; P63-L67 VanDerWaalsContact O-N 3.08Å; P63-L101 HydrophobicContact CB-CD1 3.26Å; P63-L101 HydrophobicContact CG-CD1 3.79Å; P63-L107 HydrophobicContact CG-CD1 4.14Å
64L93.6Very high93.7Very high1 Ų140.6 Ų40.61%0.00522%0.22CC..Hα-helixtrans-63.9-30.3-179.8-156.257.8000112.3D62 L66 L67 L68 L107 H110 V111 W136D62-L64 PolarHBondContact O-N 3.2Å; D62-L64 VanDerWaalsContact O-N 3.1Å; D62-L64 VanDerWaalsContact OD1-CB 3.25Å; D62-L64 WeakPolarHBondContact OD1-CB 3.46Å; D62-L64 PolarHBondContact OD1-N 2.8Å; L64-L66 VanDerWaalsContact C-N 3.34Å; L64-L66 PolarHBondContact O-N 2.97Å; L64-L67 HydrophobicContact CD1-CB 4.47Å; L64-L67 HydrophobicContact CD1-CD1 4.07Å; L64-L67 PolarHBondContact O-N 3.14Å; L64-L68 VanDerWaalsContact O-CB 3.29Å; L64-L68 WeakPolarHBondContact O-CB 3.34Å; L64-L68 PolarHBondContact O-N 3.47Å; L64-L107 HydrophobicContact CD1-CB 4.21Å; L64-H110 HydrophobicContact CD2-CB 4.13Å; L64-V111 HydrophobicContact CD1-CG1 4.44Å; L64-V111 HydrophobicContact CD1-CG2 3.66Å; L64-V111 HydrophobicContact CD2-CG1 3.74Å; L64-V111 HydrophobicContact CD2-CG2 4.33Å; L64-V111 HydrophobicContact CG-CG1 3.99Å; L64-V111 HydrophobicContact CG-CG2 4.13Å; L64-W136 HydrophobicContact CB-CH2 4.23Å; L64-W136 HydrophobicContact CB-CZ2 3.93Å; L64-W136 HydrophobicContact CD2-CD2 4.07Å; L64-W136 HydrophobicContact CD2-CG 4.48Å; L64-W136 HydrophobicContact CD2-CH2 4.34Å; L64-W136 HydrophobicContact CD2-CZ2 3.72Å; L64-W136 HydrophobicContact CG-CH2 4.43Å; L64-W136 HydrophobicContact CG-CZ2 4.18Å
65F94.7Very high93.4Very high16 Ų1640 Ų407%0.0722%0.217CC..Hα-helixtrans-62.8-39.8172.8-70.8-68.7000112.2P13 D62 P63 L68 W136 L137 I186 Y189 I190P13-F65 WeakPolarHBondContact CB-O 3.35Å; P13-F65 HydrophobicContact CG-CB 4.24Å; P13-F65 WeakPolarHBondContact CG-O 3.29Å; D62-F65 HydrophobicContact CB-CD2 3.86Å; D62-F65 HydrophobicContact CB-CE2 4.02Å; D62-F65 PolarHBondContact O-N 3.15Å; P63-F65 PolarHBondContact O-N 3.39Å; F65-L68 WeakPolarHBondContact O-CB 3.49Å; F65-L68 PolarHBondContact O-N 2.98Å; F65-W136 AromaticContact CD1-CH2 3.82Å; F65-W136 HydrophobicContact CD1-CH2 3.82Å; F65-W136 HydrophobicContact CD1-CZ3 4.3Å; F65-W136 HydrophobicContact CD2-CH2 4.31Å; F65-W136 AromaticContact CE1-CH2 3.54Å; F65-W136 HydrophobicContact CE1-CH2 3.54Å; F65-W136 AromaticContact CE1-CZ3 3.95Å; F65-W136 HydrophobicContact CE1-CZ3 3.95Å; F65-W136 HydrophobicContact CE2-CH2 4.06Å; F65-W136 HydrophobicContact CE2-CZ2 4.49Å; F65-W136 HydrophobicContact CG-CH2 4.19Å; F65-W136 AromaticContact CZ-CH2 3.67Å; F65-W136 HydrophobicContact CZ-CH2 3.67Å; F65-W136 HydrophobicContact CZ-CZ2 4.35Å; F65-W136 HydrophobicContact CZ-CZ3 4.41Å; F65-L137 HydrophobicContact CE1-CD2 4.15Å; F65-I186 HydrophobicContact CE1-CG2 4.26Å; F65-I186 HydrophobicContact CZ-CG2 4.46Å; F65-Y189 WeakPolarHBondContact CD1-O 3.46Å; F65-I190 HydrophobicContact CD1-CG2 3.79Å; F65-I190 HydrophobicContact CE1-CG2 3.75Å
66L93.8Very high93Very high1 Ų145.5 Ų45.51%0.00524%0.238CC..Hα-helixtrans-70.5-40.6177.2-77.178.6000111.6L10 P13 Y21 L30 V61 P63 L64 L68 H69 Y70 L98L10-L66 HydrophobicContact CB-CD2 4.29Å; L10-L66 HydrophobicContact CD1-CD2 3.76Å; P13-L66 HydrophobicContact CG-CD1 4.12Å; P13-L66 HydrophobicContact CG-CG 4.03Å; Y21-L66 HydrophobicContact CE1-CD1 4.16Å; Y21-L66 HydrophobicContact CE1-CD2 4.18Å; Y21-L66 HydrophobicContact CE2-CD2 4.41Å; L30-L66 HydrophobicContact CD2-CD1 4.14Å; L30-L66 HydrophobicContact CD2-CD2 3.81Å; V61-L66 HydrophobicContact CG2-CD1 4.41Å; P63-L66 PolarHBondContact O-N 2.97Å; P63-L66 VanDerWaalsContact O-N 3.09Å; L64-L66 VanDerWaalsContact C-N 3.34Å; L64-L66 PolarHBondContact O-N 2.97Å; L66-L68 VanDerWaalsContact C-N 3.28Å; L66-L68 PolarHBondContact O-N 2.9Å; L66-H69 WeakPolarHBondContact O-CB 3.19Å; L66-H69 PolarHBondContact O-N 2.83Å; L66-Y70 WeakPolarHBondContact O-CD2 3.36Å; L66-L98 HydrophobicContact CB-CD1 3.99Å; L66-L98 HydrophobicContact CB-CD2 4.25Å; L66-L98 HydrophobicContact CD2-CD1 4.47Å; L66-L98 HydrophobicContact CD2-CD2 4.07Å
67L92.8Very high92.4Very high2 Ų245.3 Ų45.31%0.0124%0.237CC..Hα-helixtrans-63.7-36.8176.2-69.1165.1000111.9P63 L64 H69 Y70 L71 V87 L98 L104 L108P63-L67 PolarHBondContact O-N 3.1Å; P63-L67 VanDerWaalsContact O-N 3.08Å; L64-L67 HydrophobicContact CD1-CB 4.47Å; L64-L67 HydrophobicContact CD1-CD1 4.07Å; L64-L67 PolarHBondContact O-N 3.14Å; L67-H69 VanDerWaalsContact C-N 3.27Å; L67-H69 PolarHBondContact O-N 3.01Å; L67-Y70 PolarHBondContact O-N 3.16Å; L67-Y70 VanDerWaalsContact O-N 3.14Å; L67-L71 HydrophobicContact CB-CD1 4.48Å; L67-L71 WeakPolarHBondContact O-CG 3.33Å; L67-L71 PolarHBondContact O-N 3.41Å; L67-V87 HydrophobicContact CD2-CG2 4.07Å; L67-L98 HydrophobicContact CD2-CB 4.11Å; L67-L98 HydrophobicContact CD2-CD1 4.47Å; L67-L104 HydrophobicContact CD1-CD1 3.37Å; L67-L104 HydrophobicContact CD2-CD1 4.37Å; L67-L108 HydrophobicContact CD1-CD2 4.36Å
68L93.1Very high91.8Very high1 Ų142.5 Ų42.51%0.00524%0.235CC..Hα-helixtrans-58.5-38.8179.8-169.163.1000112.2L64 F65 L66 Y70 L71 I72 V111 Y128 T133 I190 L194L64-L68 VanDerWaalsContact O-CB 3.29Å; L64-L68 WeakPolarHBondContact O-CB 3.34Å; L64-L68 PolarHBondContact O-N 3.47Å; F65-L68 WeakPolarHBondContact O-CB 3.49Å; F65-L68 PolarHBondContact O-N 2.98Å; L66-L68 VanDerWaalsContact C-N 3.28Å; L66-L68 PolarHBondContact O-N 2.9Å; L68-Y70 PolarHBondContact O-N 3.15Å; L68-L71 PolarHBondContact O-N 3.42Å; L68-I72 HydrophobicContact CD1-CD1 4.22Å; L68-I72 HydrophobicContact CD1-CG1 4.41Å; L68-I72 HydrophobicContact CG-CD1 3.83Å; L68-I72 HydrophobicContact CG-CG1 4.44Å; L68-I72 WeakPolarHBondContact O-CB 3.46Å; L68-I72 WeakPolarHBondContact O-CD1 3.49Å; L68-I72 VanDerWaalsContact O-CG1 3.24Å; L68-I72 WeakPolarHBondContact O-CG1 3.24Å; L68-I72 PolarHBondContact O-N 2.73Å; L68-V111 HydrophobicContact CD1-CB 4.49Å; L68-V111 HydrophobicContact CD1-CG1 4.45Å; L68-Y128 HydrophobicContact CD1-CD2 4.13Å; L68-Y128 HydrophobicContact CD1-CE2 3.62Å; L68-T133 HydrophobicContact CD1-CG2 3.82Å; L68-T133 HydrophobicContact CD2-CG2 4.11Å; L68-I190 HydrophobicContact CD2-CG2 4.28Å; L68-L194 HydrophobicContact CD1-CD1 4.49Å; L68-L194 HydrophobicContact CD2-CD1 3.72Å; L68-L194 HydrophobicContact CG-CD1 4.22Å
69H92.7Very high91.3Very high38 Ų3846.6 Ų46.618%0.17624%0.242CC..Hα-helixtrans-56.9-47.9175.1179.586.8000112.1P13 L66 L67 K73P13-H69 HydrophobicContact CB-CB 4.49Å; L66-H69 WeakPolarHBondContact O-CB 3.19Å; L66-H69 PolarHBondContact O-N 2.83Å; L67-H69 VanDerWaalsContact C-N 3.27Å; L67-H69 PolarHBondContact O-N 3.01Å; H69-K73 WeakPolarHBondContact O-CB 3.45Å; H69-K73 PolarHBondContact O-N 3.44Å; H69-K73 VanDerWaalsContact O-N 3.14Å
70Y92.6Very high90.9Very high2 Ų247.3 Ų47.31%0.00824%0.241CC..Hα-helixtrans-70.3-38.5179.3-62.5-71000112.4V11 L66 L67 L68 K73 A74 V87 D89 C95 L98V11-Y70 HydrophobicContact CG1-CE2 4.04Å; V11-Y70 WeakPolarHBondContact CG1-OH 3.49Å; L66-Y70 WeakPolarHBondContact O-CD2 3.36Å; L67-Y70 PolarHBondContact O-N 3.16Å; L67-Y70 VanDerWaalsContact O-N 3.14Å; L68-Y70 PolarHBondContact O-N 3.15Å; Y70-K73 WeakPolarHBondContact O-CB 3.5Å; Y70-K73 PolarHBondContact O-N 3.37Å; Y70-A74 WeakPolarHBondContact O-CB 3.26Å; Y70-A74 PolarHBondContact O-N 3.31Å; Y70-V87 HydrophobicContact CD2-CG1 4.11Å; Y70-V87 HydrophobicContact CE2-CG1 4.29Å; Y70-V87 HydrophobicContact CG-CG1 4.37Å; Y70-D89 HydrophobicContact CE1-CB 3.95Å; Y70-C95 HydrophobicContact CE1-CB 4.29Å; Y70-C95 HydrophobicContact CE2-CB 4.2Å; Y70-C95 VanDerWaalsContact OH-CB 3.29Å; Y70-C95 WeakPolarHBondContact OH-CB 3.49Å; Y70-L98 HydrophobicContact CD2-CD1 4.25Å; Y70-L98 HydrophobicContact CE2-CD1 3.72Å
71L92.2Very high90.6Very high5 Ų543.7 Ų43.73%0.02622%0.216CC..Hα-helixtrans-62.1-44.5177.5-75.6166.5000112L67 L68 K73 A74 D75 V86 L108 V111 T112 Y128L67-L71 HydrophobicContact CB-CD1 4.48Å; L67-L71 WeakPolarHBondContact O-CG 3.33Å; L67-L71 PolarHBondContact O-N 3.41Å; L68-L71 PolarHBondContact O-N 3.42Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.14Å; L71-A74 PolarHBondContact O-N 3.4Å; L71-D75 WeakPolarHBondContact O-CB 3.24Å; L71-D75 PolarHBondContact O-N 3.39Å; L71-V86 HydrophobicContact CD2-CG1 3.93Å; L71-V86 HydrophobicContact CG-CG1 4.31Å; L71-L108 HydrophobicContact CD1-CD2 4.16Å; L71-V111 HydrophobicContact CD1-CG2 3.83Å; L71-T112 HydrophobicContact CD1-CG2 3.65Å; L71-T112 HydrophobicContact CD2-CG2 3.49Å; L71-T112 VanDerWaalsContact CD2-CG2 3.49Å; L71-T112 HydrophobicContact CG-CG2 4.22Å; L71-Y128 HydrophobicContact CB-CD2 4.31Å
72I91.3Very high90.4Very high44 Ų4444 Ų4423%0.22622%0.217CC..Hα-helixtrans-66.2-37.5176.6-66.3165000110.9L68 D75 Y128 P191 L194L68-I72 HydrophobicContact CD1-CD1 4.22Å; L68-I72 HydrophobicContact CD1-CG1 4.41Å; L68-I72 HydrophobicContact CG-CD1 3.83Å; L68-I72 HydrophobicContact CG-CG1 4.44Å; L68-I72 WeakPolarHBondContact O-CB 3.46Å; L68-I72 WeakPolarHBondContact O-CD1 3.49Å; L68-I72 VanDerWaalsContact O-CG1 3.24Å; L68-I72 WeakPolarHBondContact O-CG1 3.24Å; L68-I72 PolarHBondContact O-N 2.73Å; I72-D75 PolarHBondContact O-N 3.44Å; I72-Y128 HydrophobicContact CG1-CD2 4.38Å; I72-Y128 HydrophobicContact CG1-CE1 4.24Å; I72-Y128 HydrophobicContact CG1-CE2 4.09Å; I72-P191 HydrophobicContact CD1-CG 3.92Å; I72-L194 HydrophobicContact CD1-CD1 3.54Å; I72-L194 HydrophobicContact CD1-CG 4.26Å
73K90.3Very high90Very high97 Ų9743.4 Ų43.442%0.42221%0.214SC..Hα-helixtrans-63.1-42.8176-172.1-179.7-180-174.90111.4H69 Y70 L71 D89H69-K73 WeakPolarHBondContact O-CB 3.45Å; H69-K73 PolarHBondContact O-N 3.44Å; H69-K73 VanDerWaalsContact O-N 3.14Å; Y70-K73 WeakPolarHBondContact O-CB 3.5Å; Y70-K73 PolarHBondContact O-N 3.37Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.14Å; K73-D89 IonicContact NZ-OD2 3.46Å; K73-D89 PolarHBondContact NZ-OD2 2.61Å
74A89.6Confident89.7Confident14 Ų1448.2 Ų48.212%0.11624%0.239CC..Hα-helixtrans-71.7-32.6177.600000113.1Y70 L71 K76 E77 V86Y70-A74 WeakPolarHBondContact O-CB 3.26Å; Y70-A74 PolarHBondContact O-N 3.31Å; L71-A74 PolarHBondContact O-N 3.4Å; A74-K76 PolarHBondContact O-N 3.32Å; A74-K76 VanDerWaalsContact O-N 3.08Å; A74-E77 WeakPolarHBondContact O-CB 3.44Å; A74-E77 PolarHBondContact O-N 2.91Å; A74-V86 HydrophobicContact CB-CB 4.49Å; A74-V86 HydrophobicContact CB-CG1 4Å; A74-V86 HydrophobicContact CB-CG2 4.23Å
75D89.5Confident89.4Confident57 Ų5754 Ų5431%0.30527%0.266SS..Hα-helixtrans-62.6-19.5-179.3-166.652.3000113.8L71 I72 E77 G78 Y128L71-D75 WeakPolarHBondContact O-CB 3.24Å; L71-D75 PolarHBondContact O-N 3.39Å; I72-D75 PolarHBondContact O-N 3.44Å; D75-E77 PolarHBondContact O-N 3.47Å; D75-E77 VanDerWaalsContact O-N 3.09Å; D75-G78 WeakPolarHBondContact O-CA 3Å; D75-G78 PolarHBondContact O-N 2.88Å; D75-Y128 HydrophobicContact CB-CD1 3.94Å; D75-Y128 HydrophobicContact CB-CG 4.3Å
76K86.2Confident89.1Confident182 Ų18253.7 Ų53.779%0.79127%0.265SS*.THydrogen-bonded Turntrans-56-25.7170.7-65-178.1179.8-179.90112.8A74A74-K76 PolarHBondContact O-N 3.32Å; A74-K76 VanDerWaalsContact O-N 3.08Å
77E84.3Confident88.9Confident115 Ų11553.9 Ų53.954%0.53727%0.267SS..THydrogen-bonded Turntrans-86.6-17.2175.8-58.7-175.9-179.200112.9A74 D75 K79 Q81A74-E77 WeakPolarHBondContact O-CB 3.44Å; A74-E77 PolarHBondContact O-N 2.91Å; D75-E77 PolarHBondContact O-N 3.47Å; D75-E77 VanDerWaalsContact O-N 3.09Å; E77-K79 PolarHBondContact O-N 2.85Å; E77-Q81 PolarHBondContact OE2-NE2 3.36Å
78G82.4Confident88.7Confident35 Ų3557.5 Ų57.536%0.36129%0.288SS..  trans69.16.8175.500000116.1D75 K127D75-G78 WeakPolarHBondContact O-CA 3Å; D75-G78 PolarHBondContact O-N 2.88Å; G78-K127 PolarHBondContact O-NZ 2.9Å
79K86.9Confident88.5Confident141 Ų14158.2 Ų58.261%0.61329%0.292SS*.SBendtrans-100.4159.4-174-66.1172.1-169.2173.90112E77E77-K79 PolarHBondContact O-N 2.85Å
80F87.1Confident88.3Confident66 Ų6664 Ų6429%0.28933%0.325SS..  trans-81.4122168.9-79.1-91.5000108.9E113 K115 K127F80-E113 HydrophobicContact CE1-CB 4.24Å; F80-E113 HydrophobicContact CZ-CB 4.48Å; F80-K115 HydrophobicContact CD1-CB 3.47Å; F80-K115 VanDerWaalsContact CD1-CB 3.47Å; F80-K115 HydrophobicContact CD1-CD 4.36Å; F80-K115 HydrophobicContact CD2-CD 4.11Å; F80-K115 HydrophobicContact CE1-CB 3.5Å; F80-K115 VanDerWaalsContact CE1-CB 3.5Å; F80-K115 HydrophobicContact CE1-CD 4.31Å; F80-K115 HydrophobicContact CE2-CD 4.06Å; F80-K115 HydrophobicContact CG-CB 4.11Å; F80-K115 HydrophobicContact CG-CD 4.26Å; F80-K115 HydrophobicContact CZ-CB 4.15Å; F80-K115 HydrophobicContact CZ-CD 4.17Å; F80-K127 HydrophobicContact CD1-CB 3.58Å; F80-K127 HydrophobicContact CD2-CB 4.33Å; F80-K127 HydrophobicContact CD2-CD 4.12Å; F80-K127 HydrophobicContact CE1-CB 3.46Å; F80-K127 VanDerWaalsContact CE1-CB 3.46Å; F80-K127 HydrophobicContact CE1-CD 4.46Å; F80-K127 HydrophobicContact CE2-CB 4.23Å; F80-K127 HydrophobicContact CE2-CD 3.76Å; F80-K127 HydrophobicContact CG-CB 4.02Å; F80-K127 HydrophobicContact CZ-CB 3.8Å; F80-K127 HydrophobicContact CZ-CD 3.94Å; F80-K127 HydrophobicContact CZ-CG 4.49Å
81Q87.8Confident88.3Confident26 Ų2669.1 Ų69.112%0.12136%0.356CS..BIsolated β-bridgetrans-128.2146.5-175.2-72.6173.5-51.800111.2E77 V86 Y126E77-Q81 PolarHBondContact OE2-NE2 3.36Å; Q81-V86 HydrophobicContact CB-CG2 3.71Å; Q81-Y126 PolarHBondContact N-O 2.88Å; Q81-Y126 PolarHBondContact O-N 2.88Å
82P90Very high88.2Confident22 Ų2270 Ų7014%0.14336%0.36CS..  trans-69.1153.9170.631.1-34.8000110.6D84 Q85 V86P82-D84 PolarHBondContact O-N 3.31Å; P82-Q85 VanDerWaalsContact CD-OE1 3.29Å; P82-Q85 HydrophobicContact CG-CB 4.06Å; P82-Q85 HydrophobicContact CG-CG 3.79Å; P82-Q85 PolarHBondContact O-N 2.83Å; P82-V86 PolarHBondContact O-N 3.13Å
83L86.4Confident88.2Confident25 Ų2571.8 Ų71.813%0.13137%0.374CS..Hα-helixtrans-58.6-34.4-176.5-67.6169.5000113.5Q85 V86 V87 L99 L104 L108 Y126L83-Q85 PolarHBondContact O-N 2.81Å; L83-V86 PolarHBondContact O-N 3.46Å; L83-V87 PolarHBondContact O-N 2.98Å; L83-L99 HydrophobicContact CB-CD2 4.23Å; L83-L104 HydrophobicContact CD1-CD2 3.85Å; L83-L104 HydrophobicContact CD1-CG 4.37Å; L83-L108 HydrophobicContact CD1-CD1 3.42Å; L83-L108 VanDerWaalsContact CD1-CD1 3.42Å; L83-L108 HydrophobicContact CD2-CD1 3.51Å; L83-L108 HydrophobicContact CD2-CD2 4.15Å; L83-L108 HydrophobicContact CD2-CG 4.5Å; L83-L108 HydrophobicContact CG-CD1 4.04Å; L83-Y126 HydrophobicContact CD1-CD2 4.18Å; L83-Y126 HydrophobicContact CD1-CE2 3.68Å; L83-Y126 HydrophobicContact CD2-CD2 3.76Å; L83-Y126 HydrophobicContact CD2-CE2 4.12Å; L83-Y126 HydrophobicContact CD2-CG 4.03Å; L83-Y126 HydrophobicContact CG-CD2 3.55Å; L83-Y126 HydrophobicContact CG-CE2 3.55Å; L83-Y126 HydrophobicContact CG-CG 4.32Å
84D86.6Confident88.1Confident123 Ų12370.2 Ų70.266%0.65837%0.37SS*.Hα-helixtrans-61.2-26.4177.6-53.9-43.7000112.7P82 V88 L99P82-D84 PolarHBondContact O-N 3.31Å; D84-V88 VanDerWaalsContact O-CG2 3.23Å; D84-V88 WeakPolarHBondContact O-CG2 3.17Å; D84-L99 WeakPolarHBondContact OD1-CD2 3.4Å
85Q87.5Confident88.1Confident122 Ų12269.6 Ų69.657%0.5737%0.365SS*.Hα-helixtrans-93.1-28.1177.1-69.5-179.6-7.600112.6P82 L83 V88P82-Q85 VanDerWaalsContact CD-OE1 3.29Å; P82-Q85 HydrophobicContact CG-CB 4.06Å; P82-Q85 HydrophobicContact CG-CG 3.79Å; P82-Q85 PolarHBondContact O-N 2.83Å; L83-Q85 PolarHBondContact O-N 2.81Å; Q85-V88 WeakPolarHBondContact O-CG2 3.08Å
86V88.6Confident88.1Confident10 Ų1071.8 Ų71.86%0.06138%0.376CS..Hα-helixtrans-74.5-46.3178.8173.80000111.2L71 A74 Q81 P82 L83 V88L71-V86 HydrophobicContact CD2-CG1 3.93Å; L71-V86 HydrophobicContact CG-CG1 4.31Å; A74-V86 HydrophobicContact CB-CB 4.49Å; A74-V86 HydrophobicContact CB-CG1 4Å; A74-V86 HydrophobicContact CB-CG2 4.23Å; Q81-V86 HydrophobicContact CB-CG2 3.71Å; P82-V86 PolarHBondContact O-N 3.13Å; L83-V86 PolarHBondContact O-N 3.46Å; V86-V88 VanDerWaalsContact C-N 3.25Å; V86-V88 PolarHBondContact O-N 3.46Å
87V89.4Confident88.3Confident5 Ų563.9 Ų63.93%0.0334%0.342CS..SBendtrans-90.462.2-172.9-171.10000110.2L67 Y70 L83 C95 L98 L99L67-V87 HydrophobicContact CD2-CG2 4.07Å; Y70-V87 HydrophobicContact CD2-CG1 4.11Å; Y70-V87 HydrophobicContact CE2-CG1 4.29Å; Y70-V87 HydrophobicContact CG-CG1 4.37Å; L83-V87 PolarHBondContact O-N 2.98Å; V87-C95 HydrophobicContact CG1-CB 3.92Å; V87-C95 WeakPolarHBondContact CG1-O 3.5Å; V87-C95 PolarHBondContact O-SG 2.93Å; V87-C95 VanDerWaalsContact O-SG 3.34Å; V87-L98 HydrophobicContact CG1-CB 4.46Å; V87-L98 HydrophobicContact CG1-CD1 4.32Å; V87-L99 HydrophobicContact CB-CD1 3.8Å; V87-L99 HydrophobicContact CB-CG 4.5Å; V87-L99 HydrophobicContact CG1-CD1 3.77Å; V87-L99 HydrophobicContact CG2-CD1 4.4Å
88V88.4Confident88.5Confident77 Ų7758.5 Ų58.547%0.46732%0.317SS..  trans-119.8125.3179.6-177.80000110D84 Q85 V86D84-V88 VanDerWaalsContact O-CG2 3.23Å; D84-V88 WeakPolarHBondContact O-CG2 3.17Å; Q85-V88 WeakPolarHBondContact O-CG2 3.08Å; V86-V88 VanDerWaalsContact C-N 3.25Å; V86-V88 PolarHBondContact O-N 3.46Å
89D89.9Confident88.8Confident17 Ų1758.9 Ų58.99%0.09131%0.31CS..  trans-138.6126.7174.1-153.1-69.2000112Y70 K73 V91 F92Y70-D89 HydrophobicContact CE1-CB 3.95Å; K73-D89 IonicContact NZ-OD2 3.46Å; K73-D89 PolarHBondContact NZ-OD2 2.61Å; D89-V91 WeakPolarHBondContact OD1-CA 3.33Å; D89-V91 WeakPolarHBondContact OD1-CB 3.28Å; D89-V91 PolarHBondContact OD1-N 2.8Å; D89-F92 HydrophobicContact CB-CB 4.34Å; D89-F92 PolarHBondContact OD1-N 3.36Å
90N87.8Confident88.8Confident159 Ų15957.1 Ų57.185%0.8530%0.303SS*.SBendtrans-78-27.1179.1-64.1-23.7000112.3
91V91.8Very high88.8Confident109 Ų10954.6 Ų54.666%0.66129%0.292SS*.SBendtrans-87.9-35.7-179.2-1760000110.2D89 P93D89-V91 WeakPolarHBondContact OD1-CA 3.33Å; D89-V91 WeakPolarHBondContact OD1-CB 3.28Å; D89-V91 PolarHBondContact OD1-N 2.8Å; V91-P93 WeakPolarHBondContact O-CD 3.42Å
92F91.2Very high88.7Confident25 Ų2557 Ų5711%0.1131%0.31CS..  trans-122.775.2-178.2-55.1-66.5000112.5K9 V11 D89 N94 C95K9-F92 HydrophobicContact CD-CE1 4.16Å; K9-F92 HydrophobicContact CG-CD1 4.23Å; K9-F92 HydrophobicContact CG-CE1 4.06Å; V11-F92 HydrophobicContact CB-CD2 4.07Å; V11-F92 HydrophobicContact CB-CE2 4.35Å; V11-F92 HydrophobicContact CG2-CE2 4.46Å; D89-F92 HydrophobicContact CB-CB 4.34Å; D89-F92 PolarHBondContact OD1-N 3.36Å; F92-N94 PolarHBondContact O-N 2.73Å; F92-C95 PolarHBondContact O-N 3Å; F92-C95 VanDerWaalsContact O-N 3.13Å; F92-C95 PolarHBondContact O-SG 2.89Å
93P89.8Confident88.5Confident80 Ų8058 Ų5852%0.51932%0.324SS..G310 helixtrans-64.9-15.9-17426.6-36.2000114.2V91 C95 I96V91-P93 WeakPolarHBondContact O-CD 3.42Å; P93-C95 PolarHBondContact O-N 2.82Å; P93-I96 WeakPolarHBondContact O-CG1 3.41Å
94N90.1Very high88.4Confident64 Ų6457.6 Ų57.634%0.34232%0.322SS..G310 helixtrans-71.3-2.7176.5-67.1-47.9000113.5V8 L10 F92 I96 L97V8-N94 HydrophobicContact CB-CB 4.35Å; L10-N94 VanDerWaalsContact CD2-C 3.44Å; L10-N94 HydrophobicContact CD2-CB 3.77Å; L10-N94 WeakPolarHBondContact CD2-O 3.49Å; F92-N94 PolarHBondContact O-N 2.73Å; N94-I96 PolarHBondContact O-N 2.79Å; N94-I96 VanDerWaalsContact O-N 3.1Å; N94-L97 HydrophobicContact CB-CD1 4.34Å; N94-L97 WeakPolarHBondContact O-CB 3.48Å; N94-L97 WeakPolarHBondContact O-CG 3.31Å; N94-L97 PolarHBondContact O-N 3.41Å
95C89.4Confident88.3Confident2 Ų256.1 Ų56.11%0.01431%0.311CS..G310 helixtrans-55-25.1172.664.30000112.8Y70 V87 F92 P93 L97 L98Y70-C95 HydrophobicContact CE1-CB 4.29Å; Y70-C95 HydrophobicContact CE2-CB 4.2Å; Y70-C95 VanDerWaalsContact OH-CB 3.29Å; Y70-C95 WeakPolarHBondContact OH-CB 3.49Å; V87-C95 HydrophobicContact CG1-CB 3.92Å; V87-C95 WeakPolarHBondContact CG1-O 3.5Å; V87-C95 PolarHBondContact O-SG 2.93Å; V87-C95 VanDerWaalsContact O-SG 3.34Å; F92-C95 PolarHBondContact O-N 3Å; F92-C95 VanDerWaalsContact O-N 3.13Å; F92-C95 PolarHBondContact O-SG 2.89Å; P93-C95 PolarHBondContact O-N 2.82Å; C95-L97 PolarHBondContact O-N 2.83Å; C95-L97 VanDerWaalsContact O-N 3.1Å; C95-L98 VanDerWaalsContact O-CB 3.29Å; C95-L98 WeakPolarHBondContact O-CB 3.29Å; C95-L98 WeakPolarHBondContact O-CG 3.41Å; C95-L98 PolarHBondContact O-N 3.31Å
96I89.3Confident88.3Confident103 Ų10358 Ų5853%0.52832%0.317SS..G310 helixtrans-57.6-26.5176.4-57.3170.4000112.1P93 N94 L98 L99P93-I96 WeakPolarHBondContact O-CG1 3.41Å; N94-I96 PolarHBondContact O-N 2.79Å; N94-I96 VanDerWaalsContact O-N 3.1Å; I96-L98 PolarHBondContact O-N 3.25Å; I96-L99 WeakPolarHBondContact O-CD1 3.48Å; I96-L99 PolarHBondContact O-N 2.81Å
97L89.4Confident88.3Confident16 Ų1659.8 Ų59.88%0.08433%0.327CS..G310 helixtrans-64.3-25.7176.8-64.1175.5000112.9M6 V8 F23 M25 N94 C95 L99 K100M6-L97 HydrophobicContact SD-CD1 4.32Å; V8-L97 HydrophobicContact CB-CD1 4.46Å; V8-L97 HydrophobicContact CG1-CD1 3.74Å; V8-L97 HydrophobicContact CG2-CD1 4.46Å; F23-L97 HydrophobicContact CD1-CD1 4.37Å; F23-L97 HydrophobicContact CD2-CB 4.48Å; F23-L97 HydrophobicContact CE1-CD2 4.37Å; F23-L97 HydrophobicContact CE2-CB 4.23Å; F23-L97 HydrophobicContact CG-CD1 4.33Å; F23-L97 HydrophobicContact CZ-CB 4.27Å; M25-L97 HydrophobicContact CE-CD2 4.33Å; M25-L97 HydrophobicContact SD-CD2 3.91Å; N94-L97 HydrophobicContact CB-CD1 4.34Å; N94-L97 WeakPolarHBondContact O-CB 3.48Å; N94-L97 WeakPolarHBondContact O-CG 3.31Å; N94-L97 PolarHBondContact O-N 3.41Å; C95-L97 PolarHBondContact O-N 2.83Å; C95-L97 VanDerWaalsContact O-N 3.1Å; L97-L99 VanDerWaalsContact C-N 3.25Å; L97-L99 PolarHBondContact O-N 3.22Å; L97-K100 HydrophobicContact CD2-CD 4.36Å; L97-K100 PolarHBondContact O-N 2.97Å; L97-K100 VanDerWaalsContact O-N 3.15Å
98L88.3Confident88.3Confident1 Ų159.6 Ų59.61%0.00533%0.326CS..G310 helixtrans-66.3-28.8177.2-60.2173.6000112.2L30 L66 L67 Y70 V87 C95 I96 K100 L101L30-L98 HydrophobicContact CD2-CD2 4.02Å; L66-L98 HydrophobicContact CB-CD1 3.99Å; L66-L98 HydrophobicContact CB-CD2 4.25Å; L66-L98 HydrophobicContact CD2-CD1 4.47Å; L66-L98 HydrophobicContact CD2-CD2 4.07Å; L67-L98 HydrophobicContact CD2-CB 4.11Å; L67-L98 HydrophobicContact CD2-CD1 4.47Å; Y70-L98 HydrophobicContact CD2-CD1 4.25Å; Y70-L98 HydrophobicContact CE2-CD1 3.72Å; V87-L98 HydrophobicContact CG1-CB 4.46Å; V87-L98 HydrophobicContact CG1-CD1 4.32Å; C95-L98 VanDerWaalsContact O-CB 3.29Å; C95-L98 WeakPolarHBondContact O-CB 3.29Å; C95-L98 WeakPolarHBondContact O-CG 3.41Å; C95-L98 PolarHBondContact O-N 3.31Å; I96-L98 PolarHBondContact O-N 3.25Å; L98-K100 PolarHBondContact O-N 3.36Å; L98-L101 HydrophobicContact CD2-CD1 4.2Å; L98-L101 WeakPolarHBondContact O-CB 3.35Å; L98-L101 WeakPolarHBondContact O-CD1 3.46Å; L98-L101 WeakPolarHBondContact O-CG 3.09Å; L98-L101 PolarHBondContact O-N 3.1Å
99L88.6Confident88.4Confident43 Ų4360.2 Ų60.223%0.22532%0.323CS..G310 helixtrans-72.2-21176.6-63.888.4000112.4L83 D84 V87 I96 L97 L101L83-L99 HydrophobicContact CB-CD2 4.23Å; D84-L99 WeakPolarHBondContact OD1-CD2 3.4Å; V87-L99 HydrophobicContact CB-CD1 3.8Å; V87-L99 HydrophobicContact CB-CG 4.5Å; V87-L99 HydrophobicContact CG1-CD1 3.77Å; V87-L99 HydrophobicContact CG2-CD1 4.4Å; I96-L99 WeakPolarHBondContact O-CD1 3.48Å; I96-L99 PolarHBondContact O-N 2.81Å; L97-L99 VanDerWaalsContact C-N 3.25Å; L97-L99 PolarHBondContact O-N 3.22Å; L99-L101 PolarHBondContact O-N 3.32Å
100K87.2Confident88.5Confident105 Ų10563.7 Ų63.746%0.45734%0.339SS..G310 helixtrans-83.42.7-180-60.2-175.3-180179.70112.8Q28 L97 L98Q28-K100 WeakPolarHBondContact CG-O 3.36Å; Q28-K100 PolarHBondContact NE2-O 2.81Å; Q28-K100 VanDerWaalsContact NE2-O 3.17Å; Q28-K100 PolarHBondContact OE1-O 2.95Å; Q28-K100 VanDerWaalsContact OE1-O 3.09Å; L97-K100 HydrophobicContact CD2-CD 4.36Å; L97-K100 PolarHBondContact O-N 2.97Å; L97-K100 VanDerWaalsContact O-N 3.15Å; L98-K100 PolarHBondContact O-N 3.36Å
101L86.8Confident88.7Confident12 Ų1256.1 Ų56.16%0.06330%0.298CS..SBendtrans-73139.9-178.3-67.2172.6000111.3F23 Q28 P63 L98 L99F23-L101 HydrophobicContact CE2-CD2 3.94Å; F23-L101 HydrophobicContact CZ-CD2 4.42Å; Q28-L101 WeakPolarHBondContact O-CD2 3.42Å; P63-L101 HydrophobicContact CB-CD1 3.26Å; P63-L101 HydrophobicContact CG-CD1 3.79Å; L98-L101 HydrophobicContact CD2-CD1 4.2Å; L98-L101 WeakPolarHBondContact O-CB 3.35Å; L98-L101 WeakPolarHBondContact O-CD1 3.46Å; L98-L101 WeakPolarHBondContact O-CG 3.09Å; L98-L101 PolarHBondContact O-N 3.1Å; L99-L101 PolarHBondContact O-N 3.32Å
102P87.4Confident88.6Confident76 Ų7651 Ų5149%0.49427%0.267SS..THydrogen-bonded Turntrans-72.1139.1-177.930-34.4000110Q28 L104Q28-P102 HydrophobicContact CB-CG 4.36Å; P102-L104 PolarHBondContact O-N 3.23Å
103G83.9Confident88.6Confident44 Ų4453.7 Ų53.745%0.45428%0.28SS..THydrogen-bonded Turntrans66.724.3177.100000114.3E105 K106 L107G103-E105 PolarHBondContact O-N 3.24Å; G103-K106 WeakPolarHBondContact O-CB 3.3Å; G103-K106 PolarHBondContact O-N 3.09Å; G103-L107 PolarHBondContact O-N 3.08Å
104L84.8Confident88.4Confident16 Ų1652.8 Ų52.88%0.08427%0.269CS..Hα-helixtrans-51.2-40.5179.4-176.160.8000113L67 L83 P102 K106 L107 L108L67-L104 HydrophobicContact CD1-CD1 3.37Å; L67-L104 HydrophobicContact CD2-CD1 4.37Å; L83-L104 HydrophobicContact CD1-CD2 3.85Å; L83-L104 HydrophobicContact CD1-CG 4.37Å; P102-L104 PolarHBondContact O-N 3.23Å; L104-K106 VanDerWaalsContact C-N 3.31Å; L104-K106 PolarHBondContact O-N 3.13Å; L104-L107 WeakPolarHBondContact O-CB 3.4Å; L104-L107 PolarHBondContact O-N 3.16Å; L104-L107 VanDerWaalsContact O-N 3.14Å; L104-L108 HydrophobicContact CD1-CD1 4.21Å; L104-L108 HydrophobicContact CD1-CG 4.24Å; L104-L108 HydrophobicContact CD2-CD1 4.44Å; L104-L108 HydrophobicContact CG-CD1 3.76Å; L104-L108 HydrophobicContact CG-CG 4.28Å; L104-L108 WeakPolarHBondContact O-CB 3.45Å; L104-L108 VanDerWaalsContact O-CG 3.29Å; L104-L108 WeakPolarHBondContact O-CG 3.48Å; L104-L108 PolarHBondContact O-N 2.99Å
105E85.3Confident88Confident92 Ų9256.1 Ų56.143%0.4328%0.28SS..Hα-helixtrans-57.6-43.6176.6-53.3-172.2146.500112.1G103 L107 L108 H109 K124G103-E105 PolarHBondContact O-N 3.24Å; E105-L107 VanDerWaalsContact C-N 3.31Å; E105-L107 PolarHBondContact O-N 3.48Å; E105-L108 PolarHBondContact O-N 3.38Å; E105-H109 PolarHBondContact O-CD2 2.94Å; E105-H109 PolarHBondContact O-N 3.37Å; E105-H109 VanDerWaalsContact O-N 3.15Å; E105-K124 IonicContact OE1-NZ 2.81Å; E105-K124 PolarHBondContact OE1-NZ 3.36Å; E105-K124 IonicContact OE2-NZ 2.78Å; E105-K124 PolarHBondContact OE2-NZ 2.67Å
106K88.1Confident87Confident161 Ų16157.9 Ų57.970%0.730%0.298SS*.Hα-helixtrans-65.1-36.4178-64.1-178.5-179.9178.80112.2G103 L104 H110G103-K106 WeakPolarHBondContact O-CB 3.3Å; G103-K106 PolarHBondContact O-N 3.09Å; L104-K106 VanDerWaalsContact C-N 3.31Å; L104-K106 PolarHBondContact O-N 3.13Å; K106-H110 PolarHBondContact O-CE1 3.17Å; K106-H110 VanDerWaalsContact O-CE1 3.24Å; K106-H110 PolarHBondContact O-ND1 3.22Å
107L88.3Confident85.6Confident49 Ų4958.1 Ų58.126%0.25730%0.301SS..Hα-helixtrans-68.4-46.5176.4-69.2164.8000110.5P63 L64 G103 L104 E105 H109 H110P63-L107 HydrophobicContact CG-CD1 4.14Å; L64-L107 HydrophobicContact CD1-CB 4.21Å; G103-L107 PolarHBondContact O-N 3.08Å; L104-L107 WeakPolarHBondContact O-CB 3.4Å; L104-L107 PolarHBondContact O-N 3.16Å; L104-L107 VanDerWaalsContact O-N 3.14Å; E105-L107 VanDerWaalsContact C-N 3.31Å; E105-L107 PolarHBondContact O-N 3.48Å; L107-H109 PolarHBondContact O-N 3.49Å; L107-H110 WeakPolarHBondContact O-CB 3.38Å; L107-H110 PolarHBondContact O-N 3.4Å; L107-H110 PolarHBondContact O-ND1 3.47Å; L107-H110 VanDerWaalsContact O-ND1 3.16Å
108L89.4Confident84.1Confident1 Ų162.3 Ų62.31%0.00533%0.329CS..Hα-helixtrans-62.5-36.5-177.5-72.9165.4000113.4L67 L71 L83 L104 E105 H110 V111 T112 Y126L67-L108 HydrophobicContact CD1-CD2 4.36Å; L71-L108 HydrophobicContact CD1-CD2 4.16Å; L83-L108 HydrophobicContact CD1-CD1 3.42Å; L83-L108 VanDerWaalsContact CD1-CD1 3.42Å; L83-L108 HydrophobicContact CD2-CD1 3.51Å; L83-L108 HydrophobicContact CD2-CD2 4.15Å; L83-L108 HydrophobicContact CD2-CG 4.5Å; L83-L108 HydrophobicContact CG-CD1 4.04Å; L104-L108 HydrophobicContact CD1-CD1 4.21Å; L104-L108 HydrophobicContact CD1-CG 4.24Å; L104-L108 HydrophobicContact CD2-CD1 4.44Å; L104-L108 HydrophobicContact CG-CD1 3.76Å; L104-L108 HydrophobicContact CG-CG 4.28Å; L104-L108 WeakPolarHBondContact O-CB 3.45Å; L104-L108 VanDerWaalsContact O-CG 3.29Å; L104-L108 WeakPolarHBondContact O-CG 3.48Å; L104-L108 PolarHBondContact O-N 2.99Å; E105-L108 PolarHBondContact O-N 3.38Å; L108-H110 PolarHBondContact O-N 2.85Å; L108-V111 PolarHBondContact O-N 3.24Å; L108-T112 HydrophobicContact CD2-CG2 4.37Å; L108-T112 PolarHBondContact O-N 3.36Å; L108-T112 PolarHBondContact O-OG1 3.26Å; L108-Y126 HydrophobicContact CB-CD1 4.16Å; L108-Y126 HydrophobicContact CB-CE1 3.89Å; L108-Y126 HydrophobicContact CD1-CD1 4.07Å; L108-Y126 HydrophobicContact CD1-CE1 3.67Å; L108-Y126 HydrophobicContact CG-CE1 4.4Å
109H90.3Very high82.5Confident90 Ų9071.3 Ų71.342%0.41737%0.371SS..THydrogen-bonded Turntrans-49.4-26.5176-75.3-56.8000114.6E105 L107 E114E105-H109 PolarHBondContact O-CD2 2.94Å; E105-H109 PolarHBondContact O-N 3.37Å; E105-H109 VanDerWaalsContact O-N 3.15Å; L107-H109 PolarHBondContact O-N 3.49Å; H109-E114 IonicContact CD2-OE1 3.35Å; H109-E114 IonicContact CE1-OE1 3.24Å; H109-E114 PolarHBondContact CE1-OE1 3.06Å; H109-E114 IonicContact CE1-OE2 2.8Å; H109-E114 PolarHBondContact CE1-OE2 3.4Å; H109-E114 IonicContact CG-OE1 3.98Å; H109-E114 IonicContact ND1-OE1 2.66Å; H109-E114 PolarHBondContact ND1-OE1 3.1Å; H109-E114 IonicContact ND1-OE2 2.61Å; H109-E114 PolarHBondContact ND1-OE2 2.92Å; H109-E114 IonicContact NE2-OE1 2.67Å; H109-E114 IonicContact NE2-OE2 3.01Å
110H90.9Very high81Confident90 Ų9076 Ų7642%0.41740%0.395SS..THydrogen-bonded Turntrans-75.6-23.9179.4-63.686.3000114.2L64 K106 L107 L108 K132 W136L64-H110 HydrophobicContact CD2-CB 4.13Å; K106-H110 PolarHBondContact O-CE1 3.17Å; K106-H110 VanDerWaalsContact O-CE1 3.24Å; K106-H110 PolarHBondContact O-ND1 3.22Å; L107-H110 WeakPolarHBondContact O-CB 3.38Å; L107-H110 PolarHBondContact O-N 3.4Å; L107-H110 PolarHBondContact O-ND1 3.47Å; L107-H110 VanDerWaalsContact O-ND1 3.16Å; L108-H110 PolarHBondContact O-N 2.85Å; H110-K132 CarbonylContact O-C 3.51Å; H110-K132 VanDerWaalsContact O-C 3.3Å; H110-K132 WeakPolarHBondContact O-CB 3.49Å; H110-W136 HydrophobicContact CB-CB 4.3Å; H110-W136 HydrophobicContact CB-CG 4.15Å
111V92.4Very high79.5Confident0 Ų074.6 Ų74.60%039%0.392CS..THydrogen-bonded Turntrans-124.1-19.2-173.2-66.30000113.1L64 L68 L71 L108 S129 T133 W136L64-V111 HydrophobicContact CD1-CG1 4.44Å; L64-V111 HydrophobicContact CD1-CG2 3.66Å; L64-V111 HydrophobicContact CD2-CG1 3.74Å; L64-V111 HydrophobicContact CD2-CG2 4.33Å; L64-V111 HydrophobicContact CG-CG1 3.99Å; L64-V111 HydrophobicContact CG-CG2 4.13Å; L68-V111 HydrophobicContact CD1-CB 4.49Å; L68-V111 HydrophobicContact CD1-CG1 4.45Å; L71-V111 HydrophobicContact CD1-CG2 3.83Å; L108-V111 PolarHBondContact O-N 3.24Å; V111-S129 PolarHBondContact O-N 3.2Å; V111-T133 HydrophobicContact CG1-CG2 4.35Å; V111-T133 PolarHBondContact O-OG1 3.42Å; V111-W136 HydrophobicContact CG1-CD2 4.32Å; V111-W136 HydrophobicContact CG1-CE3 4.1Å
112T90.8Very high78.6Confident0 Ų081.4 Ų81.40%043%0.429CS..EExtended strand (participates in β ladder)trans-116154.1-178.256.50000114.1L71 L108 Y126 K127 K132L71-T112 HydrophobicContact CD1-CG2 3.65Å; L71-T112 HydrophobicContact CD2-CG2 3.49Å; L71-T112 VanDerWaalsContact CD2-CG2 3.49Å; L71-T112 HydrophobicContact CG-CG2 4.22Å; L108-T112 HydrophobicContact CD2-CG2 4.37Å; L108-T112 PolarHBondContact O-N 3.36Å; L108-T112 PolarHBondContact O-OG1 3.26Å; T112-Y126 WeakPolarHBondContact OG1-CD1 3.33Å; T112-K127 CarbonylContact C-O 3.46Å; T112-K127 WeakPolarHBondContact CA-O 3.25Å; T112-K127 WeakPolarHBondContact CB-O 3.32Å; T112-K132 WeakPolarHBondContact O-CD 3.35Å; T112-K132 PolarHBondContact O-NZ 3.35Å
113E89.4Confident78Confident83 Ų8383.5 Ų83.539%0.38843%0.43SS..EExtended strand (participates in β ladder)trans-86.9133.3158.3-76.2161.9-145.600109.3F80 K127 S129F80-E113 HydrophobicContact CE1-CB 4.24Å; F80-E113 HydrophobicContact CZ-CB 4.48Å; E113-K127 PolarHBondContact N-O 3.46Å; E113-K127 PolarHBondContact O-N 3.19Å; E113-S129 VanDerWaalsContact OE1-CB 3.29Å; E113-S129 WeakPolarHBondContact OE1-CB 3.44Å; E113-S129 PolarHBondContact OE1-OG 3.08Å
114E86.9Confident78Confident60 Ų6084.8 Ų84.828%0.2842%0.423SS..EExtended strand (participates in β ladder)trans-104.7134.7178.9-63.7-170.1-173.200109.5H109 Y125 Y126H109-E114 IonicContact CD2-OE1 3.35Å; H109-E114 IonicContact CE1-OE1 3.24Å; H109-E114 PolarHBondContact CE1-OE1 3.06Å; H109-E114 IonicContact CE1-OE2 2.8Å; H109-E114 PolarHBondContact CE1-OE2 3.4Å; H109-E114 IonicContact CG-OE1 3.98Å; H109-E114 IonicContact ND1-OE1 2.66Å; H109-E114 PolarHBondContact ND1-OE1 3.1Å; H109-E114 IonicContact ND1-OE2 2.61Å; H109-E114 PolarHBondContact ND1-OE2 2.92Å; H109-E114 IonicContact NE2-OE1 2.67Å; H109-E114 IonicContact NE2-OE2 3.01Å; E114-Y125 WeakPolarHBondContact CA-O 3.29Å; E114-Y126 HydrophobicContact CG-CD1 3.85Å; E114-Y126 HydrophobicContact CG-CE1 3.7Å; E114-Y126 VanDerWaalsContact OE1-CE1 3.28Å; E114-Y126 WeakPolarHBondContact OE1-CE1 3.06Å
115K81.4Confident78.1Confident135 Ų13587.9 Ų87.959%0.58744%0.435SS*.EExtended strand (participates in β ladder)trans-133120.4173.3-166.4171.6-174.6174.40108.1F80 Y125F80-K115 HydrophobicContact CD1-CB 3.47Å; F80-K115 VanDerWaalsContact CD1-CB 3.47Å; F80-K115 HydrophobicContact CD1-CD 4.36Å; F80-K115 HydrophobicContact CD2-CD 4.11Å; F80-K115 HydrophobicContact CE1-CB 3.5Å; F80-K115 VanDerWaalsContact CE1-CB 3.5Å; F80-K115 HydrophobicContact CE1-CD 4.31Å; F80-K115 HydrophobicContact CE2-CD 4.06Å; F80-K115 HydrophobicContact CG-CB 4.11Å; F80-K115 HydrophobicContact CG-CD 4.26Å; F80-K115 HydrophobicContact CZ-CB 4.15Å; F80-K115 HydrophobicContact CZ-CD 4.17Å; K115-Y125 PolarHBondContact N-O 3.09Å; K115-Y125 VanDerWaalsContact O-CB 3.32Å; K115-Y125 WeakPolarHBondContact O-CB 3.48Å; K115-Y125 WeakPolarHBondContact O-CD2 3.18Å; K115-Y125 PolarHBondContact O-N 2.71Å
116G69.2Low78.3Confident38 Ų3883.9 Ų83.939%0.39242%0.415SS..  trans166.8131.6179.800000109.6
117N58.6Low78.5Confident108 Ų10878.9 Ų78.958%0.57839%0.394SS*.  trans-92.3119.8170.7-75-12.5000107.3E119 I120N117-E119 PolarHBondContact O-N 3.48Å; N117-I120 HydrophobicContact CB-CD1 4.25Å; N117-I120 HydrophobicContact CB-CG1 4.31Å; N117-I120 PolarHBondContact O-N 3.35Å
118P58.7Low78.8Confident105 Ų10577.6 Ų77.668%0.68239%0.386SS*.THydrogen-bonded Turntrans-56.1-19.7176.5-23.232.7000113.7
119E54.7Low79Confident189 Ų18977.9 Ų77.988%0.88339%0.388SS*.THydrogen-bonded Turntrans-89.3-13.6-172.5-60.3-175.8167.100114.7N117N117-E119 PolarHBondContact O-N 3.48Å
120I55.8Low79.1Confident142 Ų14278 Ų7873%0.72839%0.387SS*.THydrogen-bonded Turntrans-114.8-36.8-171.6-58.1176.2000112.3N117N117-I120 HydrophobicContact CB-CD1 4.25Å; N117-I120 HydrophobicContact CB-CG1 4.31Å; N117-I120 PolarHBondContact O-N 3.35Å
121D56.9Low79.1Confident75 Ų7579.6 Ų79.640%0.40140%0.395SS..  trans-150.3129172-163.96.5000105.6K123D121-K123 PolarHBondContact O-N 2.99Å
122N68Low79.1Confident155 Ų15583.2 Ų83.283%0.82941%0.41SS*.SBendtrans-69.725.1-177.4-166.425.4000112.5
123K73.3Confident79.3Confident121 Ų12183.2 Ų83.253%0.52641%0.41SS..  trans-113.2120.6-174.7-67.9-176.2-175.3168.30109.4D121 Y125D121-K123 PolarHBondContact O-N 2.99Å; K123-Y125 HydrophobicContact CB-CE2 4.21Å
124K84.1Confident79.5Confident70 Ų7080.2 Ų80.230%0.30440%0.397SS..  trans-90.4135.9171.4-65.5176.9-178.3171.80109.1E105 Y126E105-K124 IonicContact OE1-NZ 2.81Å; E105-K124 PolarHBondContact OE1-NZ 3.36Å; E105-K124 IonicContact OE2-NZ 2.78Å; E105-K124 PolarHBondContact OE2-NZ 2.67Å; K124-Y126 HydrophobicContact CB-CE2 3.66Å; K124-Y126 WeakPolarHBondContact CD-OH 3.18Å
125Y88Confident79.8Confident82 Ų8281.9 Ų81.932%0.32240%0.403SS..EExtended strand (participates in β ladder)trans-108.7137.1173.8-56.5-101.7000109.3E114 K115 K123E114-Y125 WeakPolarHBondContact CA-O 3.29Å; K115-Y125 PolarHBondContact N-O 3.09Å; K115-Y125 VanDerWaalsContact O-CB 3.32Å; K115-Y125 WeakPolarHBondContact O-CB 3.48Å; K115-Y125 WeakPolarHBondContact O-CD2 3.18Å; K115-Y125 PolarHBondContact O-N 2.71Å; K123-Y125 HydrophobicContact CB-CE2 4.21Å
126Y90.1Very high80.5Confident7 Ų776.4 Ų76.43%0.02738%0.379CS..EExtended strand (participates in β ladder)trans-115.9140-174.6-62.8-90.6000109.2Q81 L83 L108 T112 E114 K124Q81-Y126 PolarHBondContact N-O 2.88Å; Q81-Y126 PolarHBondContact O-N 2.88Å; L83-Y126 HydrophobicContact CD1-CD2 4.18Å; L83-Y126 HydrophobicContact CD1-CE2 3.68Å; L83-Y126 HydrophobicContact CD2-CD2 3.76Å; L83-Y126 HydrophobicContact CD2-CE2 4.12Å; L83-Y126 HydrophobicContact CD2-CG 4.03Å; L83-Y126 HydrophobicContact CG-CD2 3.55Å; L83-Y126 HydrophobicContact CG-CE2 3.55Å; L83-Y126 HydrophobicContact CG-CG 4.32Å; L108-Y126 HydrophobicContact CB-CD1 4.16Å; L108-Y126 HydrophobicContact CB-CE1 3.89Å; L108-Y126 HydrophobicContact CD1-CD1 4.07Å; L108-Y126 HydrophobicContact CD1-CE1 3.67Å; L108-Y126 HydrophobicContact CG-CE1 4.4Å; T112-Y126 WeakPolarHBondContact OG1-CD1 3.33Å; E114-Y126 HydrophobicContact CG-CD1 3.85Å; E114-Y126 HydrophobicContact CG-CE1 3.7Å; E114-Y126 VanDerWaalsContact OE1-CE1 3.28Å; E114-Y126 WeakPolarHBondContact OE1-CE1 3.06Å; K124-Y126 HydrophobicContact CB-CE2 3.66Å; K124-Y126 WeakPolarHBondContact CD-OH 3.18Å
127K91.5Very high81.7Confident57 Ų5774.6 Ų74.625%0.24836%0.36CS..EExtended strand (participates in β ladder)trans-131.4138.7169.3-177.1173.4175.31690109.3G78 F80 T112 E113G78-K127 PolarHBondContact O-NZ 2.9Å; F80-K127 HydrophobicContact CD1-CB 3.58Å; F80-K127 HydrophobicContact CD2-CB 4.33Å; F80-K127 HydrophobicContact CD2-CD 4.12Å; F80-K127 HydrophobicContact CE1-CB 3.46Å; F80-K127 VanDerWaalsContact CE1-CB 3.46Å; F80-K127 HydrophobicContact CE1-CD 4.46Å; F80-K127 HydrophobicContact CE2-CB 4.23Å; F80-K127 HydrophobicContact CE2-CD 3.76Å; F80-K127 HydrophobicContact CG-CB 4.02Å; F80-K127 HydrophobicContact CZ-CB 3.8Å; F80-K127 HydrophobicContact CZ-CD 3.94Å; F80-K127 HydrophobicContact CZ-CG 4.49Å; T112-K127 CarbonylContact C-O 3.46Å; T112-K127 WeakPolarHBondContact CA-O 3.25Å; T112-K127 WeakPolarHBondContact CB-O 3.32Å; E113-K127 PolarHBondContact N-O 3.46Å; E113-K127 PolarHBondContact O-N 3.19Å
128Y94.4Very high83.4Confident22 Ų2272.7 Ų72.79%0.08635%0.348CS..EExtended strand (participates in β ladder)trans-62.5136.8176.3172.3-113.6000111.2L68 L71 I72 D75 K130 T133 L194L68-Y128 HydrophobicContact CD1-CD2 4.13Å; L68-Y128 HydrophobicContact CD1-CE2 3.62Å; L71-Y128 HydrophobicContact CB-CD2 4.31Å; I72-Y128 HydrophobicContact CG1-CD2 4.38Å; I72-Y128 HydrophobicContact CG1-CE1 4.24Å; I72-Y128 HydrophobicContact CG1-CE2 4.09Å; D75-Y128 HydrophobicContact CB-CD1 3.94Å; D75-Y128 HydrophobicContact CB-CG 4.3Å; Y128-K130 HydrophobicContact CE1-CB 4.15Å; Y128-T133 HydrophobicContact CE2-CG2 4.28Å; Y128-T133 VanDerWaalsContact CE2-OG1 3.26Å; Y128-T133 WeakPolarHBondContact CE2-OG1 2.91Å; Y128-L194 WeakPolarHBondContact OH-CD2 3.35Å
129S93.4Very high85.1Confident7 Ų774.6 Ų74.65%0.04935%0.345CS..  trans-127.5112.6176.5-1720000110.3V111 E113 E131 T133V111-S129 PolarHBondContact O-N 3.2Å; E113-S129 VanDerWaalsContact OE1-CB 3.29Å; E113-S129 WeakPolarHBondContact OE1-CB 3.44Å; E113-S129 PolarHBondContact OE1-OG 3.08Å; S129-E131 VanDerWaalsContact C-N 3.35Å; S129-E131 PolarHBondContact O-N 3.36Å; S129-T133 WeakPolarHBondContact O-CB 3.22Å; S129-T133 PolarHBondContact O-N 2.8Å; S129-T133 VanDerWaalsContact O-N 3.13Å; S129-T133 PolarHBondContact O-OG1 2.86Å
130K91.7Very high87Confident92 Ų9267.4 Ų67.440%0.431%0.311SS..Hα-helixtrans-63.1-39.6-179.1-178.3172169.7169.60112.2Y128 T133 L134 D197Y128-K130 HydrophobicContact CE1-CB 4.15Å; K130-T133 PolarHBondContact O-N 2.66Å; K130-L134 HydrophobicContact CG-CD1 4.28Å; K130-L134 WeakPolarHBondContact O-CG 3.39Å; K130-L134 PolarHBondContact O-N 3.26Å; K130-D197 WeakPolarHBondContact CE-OD2 3.45Å; K130-D197 IonicContact NZ-OD1 3.95Å; K130-D197 PolarHBondContact NZ-OD1 3.3Å; K130-D197 IonicContact NZ-OD2 3.37Å; K130-D197 PolarHBondContact NZ-OD2 3.22Å
131E91.8Very high88.9Confident123 Ų12360.7 Ų60.758%0.57528%0.277SS*.Hα-helixtrans-63.5-47.2-179.1-169.9-165.4149.300111.9S129 T133 L134 K135S129-E131 VanDerWaalsContact C-N 3.35Å; S129-E131 PolarHBondContact O-N 3.36Å; E131-T133 VanDerWaalsContact C-N 3.33Å; E131-T133 PolarHBondContact O-N 3.35Å; E131-L134 PolarHBondContact O-N 3.48Å; E131-K135 PolarHBondContact O-N 2.89Å; E131-K135 WeakPolarHBondContact OE1-CE 3.31Å; E131-K135 IonicContact OE1-NZ 3.47Å; E131-K135 PolarHBondContact OE1-NZ 3.04Å
132K93.3Very high90.6Very high77 Ų7761.2 Ų61.234%0.33528%0.279SS..Hα-helixtrans-63.4-42.3177.7-68.3-169.4176.3-1730111.6H110 T112 L134 K135 W136H110-K132 CarbonylContact O-C 3.51Å; H110-K132 VanDerWaalsContact O-C 3.3Å; H110-K132 WeakPolarHBondContact O-CB 3.49Å; T112-K132 WeakPolarHBondContact O-CD 3.35Å; T112-K132 PolarHBondContact O-NZ 3.35Å; K132-L134 VanDerWaalsContact C-N 3.33Å; K132-L134 PolarHBondContact O-N 2.83Å; K132-K135 PolarHBondContact O-N 3.3Å; K132-W136 PolarHBondContact O-N 3.43Å
133T94.1Very high91.9Very high0 Ų059.6 Ų59.60%027%0.267CS..Hα-helixtrans-59.6-42.9177.8-580000111.6L68 V111 Y128 S129 K130 E131 W136 L137 L194L68-T133 HydrophobicContact CD1-CG2 3.82Å; L68-T133 HydrophobicContact CD2-CG2 4.11Å; V111-T133 HydrophobicContact CG1-CG2 4.35Å; V111-T133 PolarHBondContact O-OG1 3.42Å; Y128-T133 HydrophobicContact CE2-CG2 4.28Å; Y128-T133 VanDerWaalsContact CE2-OG1 3.26Å; Y128-T133 WeakPolarHBondContact CE2-OG1 2.91Å; S129-T133 WeakPolarHBondContact O-CB 3.22Å; S129-T133 PolarHBondContact O-N 2.8Å; S129-T133 VanDerWaalsContact O-N 3.13Å; S129-T133 PolarHBondContact O-OG1 2.86Å; K130-T133 PolarHBondContact O-N 2.66Å; E131-T133 VanDerWaalsContact C-N 3.33Å; E131-T133 PolarHBondContact O-N 3.35Å; T133-W136 PolarHBondContact O-N 3.2Å; T133-L137 HydrophobicContact CG2-CD1 4.06Å; T133-L137 HydrophobicContact CG2-CG 4.42Å; T133-L137 WeakPolarHBondContact O-CB 3.46Å; T133-L137 WeakPolarHBondContact O-CG 3.43Å; T133-L137 PolarHBondContact O-N 2.89Å; T133-L194 HydrophobicContact CG2-CD1 4.27Å
134L93.4Very high92.9Very high19 Ų1955.6 Ų55.610%0.09925%0.253CS..Hα-helixtrans-62.6-44.1176-73.5171.5000112.3K130 E131 K132 W136 L137 E138 D197 L198 Y201K130-L134 HydrophobicContact CG-CD1 4.28Å; K130-L134 WeakPolarHBondContact O-CG 3.39Å; K130-L134 PolarHBondContact O-N 3.26Å; E131-L134 PolarHBondContact O-N 3.48Å; K132-L134 VanDerWaalsContact C-N 3.33Å; K132-L134 PolarHBondContact O-N 2.83Å; L134-W136 VanDerWaalsContact C-N 3.28Å; L134-W136 PolarHBondContact O-N 3.19Å; L134-L137 PolarHBondContact O-N 3.19Å; L134-E138 WeakPolarHBondContact O-CB 3.49Å; L134-E138 PolarHBondContact O-N 2.65Å; L134-D197 HydrophobicContact CD2-CB 4.21Å; L134-L198 HydrophobicContact CD2-CB 4.4Å; L134-L198 HydrophobicContact CD2-CD1 4.38Å; L134-Y201 HydrophobicContact CB-CD2 4.42Å; L134-Y201 HydrophobicContact CD1-CD2 4.2Å
135K94.1Very high93.3Very high96 Ų9652.7 Ų52.742%0.41724%0.241SC..Hα-helixtrans-62.3-35.9175.1-68.9177.7-173.6167.90112.4E131 K132 K139E131-K135 PolarHBondContact O-N 2.89Å; E131-K135 WeakPolarHBondContact OE1-CE 3.31Å; E131-K135 IonicContact OE1-NZ 3.47Å; E131-K135 PolarHBondContact OE1-NZ 3.04Å; K132-K135 PolarHBondContact O-N 3.3Å; K135-K139 WeakPolarHBondContact O-CG 3.48Å; K135-K139 PolarHBondContact O-N 3.25Å
136W95.5Very high93.6Very high20 Ų2051.3 Ų51.38%0.07625%0.246CC..Hα-helixtrans-69.5-44.3174.7170.879.4000111.9L64 F65 H110 V111 K132 T133 L134 E138 K139 K140L64-W136 HydrophobicContact CB-CH2 4.23Å; L64-W136 HydrophobicContact CB-CZ2 3.93Å; L64-W136 HydrophobicContact CD2-CD2 4.07Å; L64-W136 HydrophobicContact CD2-CG 4.48Å; L64-W136 HydrophobicContact CD2-CH2 4.34Å; L64-W136 HydrophobicContact CD2-CZ2 3.72Å; L64-W136 HydrophobicContact CG-CH2 4.43Å; L64-W136 HydrophobicContact CG-CZ2 4.18Å; F65-W136 AromaticContact CD1-CH2 3.82Å; F65-W136 HydrophobicContact CD1-CH2 3.82Å; F65-W136 HydrophobicContact CD1-CZ3 4.3Å; F65-W136 HydrophobicContact CD2-CH2 4.31Å; F65-W136 AromaticContact CE1-CH2 3.54Å; F65-W136 HydrophobicContact CE1-CH2 3.54Å; F65-W136 AromaticContact CE1-CZ3 3.95Å; F65-W136 HydrophobicContact CE1-CZ3 3.95Å; F65-W136 HydrophobicContact CE2-CH2 4.06Å; F65-W136 HydrophobicContact CE2-CZ2 4.49Å; F65-W136 HydrophobicContact CG-CH2 4.19Å; F65-W136 AromaticContact CZ-CH2 3.67Å; F65-W136 HydrophobicContact CZ-CH2 3.67Å; F65-W136 HydrophobicContact CZ-CZ2 4.35Å; F65-W136 HydrophobicContact CZ-CZ3 4.41Å; H110-W136 HydrophobicContact CB-CB 4.3Å; H110-W136 HydrophobicContact CB-CG 4.15Å; V111-W136 HydrophobicContact CG1-CD2 4.32Å; V111-W136 HydrophobicContact CG1-CE3 4.1Å; K132-W136 PolarHBondContact O-N 3.43Å; T133-W136 PolarHBondContact O-N 3.2Å; L134-W136 VanDerWaalsContact C-N 3.28Å; L134-W136 PolarHBondContact O-N 3.19Å; W136-E138 PolarHBondContact O-N 3.2Å; W136-K139 WeakPolarHBondContact O-CB 3.29Å; W136-K139 PolarHBondContact O-N 3.38Å; W136-K140 HydrophobicContact CD2-CG 4.32Å; W136-K140 HydrophobicContact CH2-CG 4.42Å; W136-K140 HydrophobicContact CZ2-CD 4.31Å; W136-K140 VanDerWaalsContact CZ2-CE 3.47Å; W136-K140 HydrophobicContact CZ2-CG 3.91Å; W136-K140 PolarHBondContact O-N 3.39Å
137L94.9Very high93.7Very high0 Ų053 Ų530%026%0.262CS..Hα-helixtrans-62.6-40.1176.9-74.5170.8000112.1F65 T133 L134 K139 K140 V141 I186 I190 L198F65-L137 HydrophobicContact CE1-CD2 4.15Å; T133-L137 HydrophobicContact CG2-CD1 4.06Å; T133-L137 HydrophobicContact CG2-CG 4.42Å; T133-L137 WeakPolarHBondContact O-CB 3.46Å; T133-L137 WeakPolarHBondContact O-CG 3.43Å; T133-L137 PolarHBondContact O-N 2.89Å; L134-L137 PolarHBondContact O-N 3.19Å; L137-K139 VanDerWaalsContact C-N 3.3Å; L137-K139 PolarHBondContact O-N 3.26Å; L137-K140 CarbonylContact O-C 3.59Å; L137-K140 WeakPolarHBondContact O-CA 3.32Å; L137-K140 WeakPolarHBondContact O-CB 3.29Å; L137-K140 PolarHBondContact O-N 3.46Å; L137-V141 WeakPolarHBondContact O-CG2 3.47Å; L137-V141 PolarHBondContact O-N 3.24Å; L137-I186 HydrophobicContact CD2-CG2 3.9Å; L137-I190 HydrophobicContact CD1-CD1 4.42Å; L137-I190 HydrophobicContact CD2-CG2 4.01Å; L137-L198 HydrophobicContact CB-CD1 3.73Å; L137-L198 HydrophobicContact CB-CD2 4.09Å; L137-L198 HydrophobicContact CD1-CD1 4.49Å; L137-L198 HydrophobicContact CD1-CD2 4.32Å
138E92.9Very high93.7Very high68 Ų6851 Ų5132%0.31825%0.254SS..Hα-helixtrans-55.8-45.2173.4-177.9-175.3-175.700111.4L134 W136 K140 V141 N142 Y201 L202L134-E138 WeakPolarHBondContact O-CB 3.49Å; L134-E138 PolarHBondContact O-N 2.65Å; W136-E138 PolarHBondContact O-N 3.2Å; E138-K140 VanDerWaalsContact C-N 3.32Å; E138-K140 PolarHBondContact O-N 2.93Å; E138-V141 PolarHBondContact O-N 3.17Å; E138-N142 PolarHBondContact O-N 2.84Å; E138-N142 PolarHBondContact O-ND2 3.21Å; E138-Y201 HydrophobicContact CB-CE1 4.22Å; E138-Y201 HydrophobicContact CG-CE1 4.33Å; E138-Y201 VanDerWaalsContact OE2-CE1 3.31Å; E138-Y201 WeakPolarHBondContact OE2-CE1 3.27Å; E138-Y201 PolarHBondContact OE2-OH 3.47Å; E138-L202 HydrophobicContact CG-CD2 4.48Å
139K94.7Very high93.5Very high144 Ų14454.4 Ų54.463%0.62627%0.269SS*.Hα-helixtrans-63.7-37.6175.4-68.9177.3-179.3-177.40112.2K135 W136 L137 N142 Q143K135-K139 WeakPolarHBondContact O-CG 3.48Å; K135-K139 PolarHBondContact O-N 3.25Å; W136-K139 WeakPolarHBondContact O-CB 3.29Å; W136-K139 PolarHBondContact O-N 3.38Å; L137-K139 VanDerWaalsContact C-N 3.3Å; L137-K139 PolarHBondContact O-N 3.26Å; K139-N142 PolarHBondContact O-N 2.9Å; K139-Q143 WeakPolarHBondContact O-CB 3.42Å; K139-Q143 PolarHBondContact O-N 2.99Å
140K95.2Very high93.5Very high39 Ų3959.3 Ų59.317%0.1730%0.299CS..Hα-helixtrans-65.3-42.2175.1-73.1-64.7-169.6177.20112.1D62 W136 L137 E138 N142 Q143 T144 I186D62-K140 WeakPolarHBondContact OD2-CE 3.38Å; D62-K140 IonicContact OD2-NZ 3.81Å; D62-K140 PolarHBondContact OD2-NZ 3.04Å; W136-K140 HydrophobicContact CD2-CG 4.32Å; W136-K140 HydrophobicContact CH2-CG 4.42Å; W136-K140 HydrophobicContact CZ2-CD 4.31Å; W136-K140 VanDerWaalsContact CZ2-CE 3.47Å; W136-K140 HydrophobicContact CZ2-CG 3.91Å; W136-K140 PolarHBondContact O-N 3.39Å; L137-K140 CarbonylContact O-C 3.59Å; L137-K140 WeakPolarHBondContact O-CA 3.32Å; L137-K140 WeakPolarHBondContact O-CB 3.29Å; L137-K140 PolarHBondContact O-N 3.46Å; E138-K140 VanDerWaalsContact C-N 3.32Å; E138-K140 PolarHBondContact O-N 2.93Å; K140-N142 PolarHBondContact O-N 3.5Å; K140-Q143 WeakPolarHBondContact O-CB 3.45Å; K140-Q143 PolarHBondContact O-N 2.89Å; K140-T144 WeakPolarHBondContact O-CG2 3.42Å; K140-T144 PolarHBondContact O-N 3.27Å; K140-T144 PolarHBondContact O-OG1 2.96Å; K140-I186 HydrophobicContact CB-CD1 4Å
141V94.6Very high93.4Very high0 Ų060.4 Ų60.40%031%0.309CS..Hα-helixtrans-57.6-51.9174.41730000109.5L137 E138 Q143 T144 V145 I179 A182 I186 L198 L202L137-V141 WeakPolarHBondContact O-CG2 3.47Å; L137-V141 PolarHBondContact O-N 3.24Å; E138-V141 PolarHBondContact O-N 3.17Å; V141-Q143 VanDerWaalsContact C-N 3.31Å; V141-Q143 PolarHBondContact O-N 3.29Å; V141-T144 WeakPolarHBondContact CA-OG1 3.39Å; V141-T144 PolarHBondContact O-N 3.21Å; V141-T144 VanDerWaalsContact O-N 3.08Å; V141-T144 PolarHBondContact O-OG1 3.23Å; V141-V145 HydrophobicContact CG1-CG2 4.42Å; V141-V145 WeakPolarHBondContact O-CG2 3.37Å; V141-V145 PolarHBondContact O-N 3.02Å; V141-I179 HydrophobicContact CG1-CG2 4.04Å; V141-A182 HydrophobicContact CG1-CB 4.02Å; V141-I186 HydrophobicContact CB-CD1 4.12Å; V141-I186 HydrophobicContact CG2-CD1 3.47Å; V141-I186 VanDerWaalsContact CG2-CD1 3.47Å; V141-L198 HydrophobicContact CG2-CD2 4.19Å; V141-L202 HydrophobicContact CG1-CD1 4.36Å; V141-L202 HydrophobicContact CG2-CD1 4.05Å
142N93.4Very high93.2Very high86 Ų8661.3 Ų61.346%0.4632%0.318SS..Hα-helixtrans-60.1-39.6178.6-67.6-25.5000112.6E138 K139 K140 V145 A146E138-N142 PolarHBondContact O-N 2.84Å; E138-N142 PolarHBondContact O-ND2 3.21Å; K139-N142 PolarHBondContact O-N 2.9Å; K140-N142 PolarHBondContact O-N 3.5Å; N142-V145 PolarHBondContact O-N 3.21Å; N142-A146 PolarHBondContact O-N 2.98Å
143Q95.4Very high92.8Very high122 Ų12260 Ų6057%0.5732%0.316SS*.Hα-helixtrans-61.8-44.1174.4-176.7176.138.800111.8K139 K140 V141 A146 A147K139-Q143 WeakPolarHBondContact O-CB 3.42Å; K139-Q143 PolarHBondContact O-N 2.99Å; K140-Q143 WeakPolarHBondContact O-CB 3.45Å; K140-Q143 PolarHBondContact O-N 2.89Å; V141-Q143 VanDerWaalsContact C-N 3.31Å; V141-Q143 PolarHBondContact O-N 3.29Å; Q143-A146 PolarHBondContact O-N 2.89Å; Q143-A147 PolarHBondContact O-N 2.79Å; Q143-A147 VanDerWaalsContact O-N 3.08Å
144T93.9Very high92.2Very high37 Ų3763.9 Ų63.923%0.22734%0.337CS..Hα-helixtrans-68.3-38.5177.554.80000112.2K140 V141 A146 A147 L148 A182 I186K140-T144 WeakPolarHBondContact O-CG2 3.42Å; K140-T144 PolarHBondContact O-N 3.27Å; K140-T144 PolarHBondContact O-OG1 2.96Å; V141-T144 WeakPolarHBondContact CA-OG1 3.39Å; V141-T144 PolarHBondContact O-N 3.21Å; V141-T144 VanDerWaalsContact O-N 3.08Å; V141-T144 PolarHBondContact O-OG1 3.23Å; T144-A146 VanDerWaalsContact C-N 3.33Å; T144-A146 PolarHBondContact O-N 3.12Å; T144-A147 CarbonylContact O-C 3.6Å; T144-A147 PolarHBondContact O-N 3.29Å; T144-A147 VanDerWaalsContact O-N 3.15Å; T144-L148 VanDerWaalsContact O-CG 3.26Å; T144-L148 WeakPolarHBondContact O-CG 3.48Å; T144-L148 PolarHBondContact O-N 3.38Å; T144-A182 VanDerWaalsContact OG1-CB 3.25Å; T144-A182 WeakPolarHBondContact OG1-CB 3.45Å; T144-I186 HydrophobicContact CG2-CD1 4.22Å; T144-I186 HydrophobicContact CG2-CG1 4.4Å
145V93.1Very high91.6Very high9 Ų963.4 Ų63.46%0.05534%0.335CS..Hα-helixtrans-59-45173.8169.70000110.9V141 N142 A147 L148 K149 I179 A182V141-V145 HydrophobicContact CG1-CG2 4.42Å; V141-V145 WeakPolarHBondContact O-CG2 3.37Å; V141-V145 PolarHBondContact O-N 3.02Å; N142-V145 PolarHBondContact O-N 3.21Å; V145-A147 VanDerWaalsContact C-N 3.34Å; V145-A147 PolarHBondContact O-N 2.85Å; V145-L148 PolarHBondContact O-N 2.93Å; V145-K149 HydrophobicContact CG1-CD 4.31Å; V145-K149 WeakPolarHBondContact O-CG 3.41Å; V145-K149 PolarHBondContact O-N 3.38Å; V145-I179 HydrophobicContact CG2-CG1 4.35Å; V145-A182 HydrophobicContact CG2-CB 3.67Å
146A93.9Very high90.4Very high53 Ų5360.3 Ų60.344%0.43833%0.325SS..Hα-helixtrans-59.9-44.6175.200000111.6N142 Q143 T144 L148 K149 T150N142-A146 PolarHBondContact O-N 2.98Å; Q143-A146 PolarHBondContact O-N 2.89Å; T144-A146 VanDerWaalsContact C-N 3.33Å; T144-A146 PolarHBondContact O-N 3.12Å; A146-L148 PolarHBondContact O-N 2.88Å; A146-K149 PolarHBondContact O-N 3.24Å; A146-T150 PolarHBondContact O-N 3.5Å; A146-T150 PolarHBondContact O-OG1 3.02Å; A146-T150 VanDerWaalsContact O-OG1 3.07Å
147A93.1Very high88.7Confident43 Ų4364.2 Ų64.236%0.35536%0.356SS..Hα-helixtrans-64.6-37.217700000113.1Q143 T144 V145 T150 N151Q143-A147 PolarHBondContact O-N 2.79Å; Q143-A147 VanDerWaalsContact O-N 3.08Å; T144-A147 CarbonylContact O-C 3.6Å; T144-A147 PolarHBondContact O-N 3.29Å; T144-A147 VanDerWaalsContact O-N 3.15Å; V145-A147 VanDerWaalsContact C-N 3.34Å; V145-A147 PolarHBondContact O-N 2.85Å; A147-T150 PolarHBondContact O-N 3.43Å; A147-N151 WeakPolarHBondContact O-CB 3.45Å; A147-N151 VanDerWaalsContact O-CG 3.32Å; A147-N151 PolarHBondContact O-N 3.06Å; A147-N151 PolarHBondContact O-ND2 3.31Å
148L91.6Very high87.1Confident13 Ų1374.6 Ų74.67%0.06840%0.395CS..Hα-helixtrans-63.5-44.2175.8-70.5168.2000111.2T144 V145 A146 N151 N152 V153 V155 Y178 Y181 A182 L185T144-L148 VanDerWaalsContact O-CG 3.26Å; T144-L148 WeakPolarHBondContact O-CG 3.48Å; T144-L148 PolarHBondContact O-N 3.38Å; V145-L148 PolarHBondContact O-N 2.93Å; A146-L148 PolarHBondContact O-N 2.88Å; L148-N151 PolarHBondContact O-N 3.36Å; L148-N152 PolarHBondContact O-N 2.98Å; L148-N152 VanDerWaalsContact O-N 3.13Å; L148-V153 HydrophobicContact CD2-CB 3.82Å; L148-V153 HydrophobicContact CD2-CG1 3.99Å; L148-V153 HydrophobicContact CD2-CG2 3.99Å; L148-V153 PolarHBondContact O-N 3.46Å; L148-V155 HydrophobicContact CD1-CG1 4.44Å; L148-Y178 HydrophobicContact CB-CD1 3.93Å; L148-Y178 HydrophobicContact CB-CE1 4.06Å; L148-Y178 HydrophobicContact CD1-CD1 4.34Å; L148-Y181 HydrophobicContact CD1-CD1 3.79Å; L148-Y181 HydrophobicContact CD2-CD1 3.95Å; L148-Y181 HydrophobicContact CD2-CE1 3.92Å; L148-A182 HydrophobicContact CD1-CB 4.28Å; L148-L185 HydrophobicContact CD1-CD1 4.47Å; L148-L185 HydrophobicContact CD2-CD1 4.16Å
149K89.6Confident85Confident94 Ų9477.2 Ų77.241%0.40942%0.415SS..Hα-helixtrans-62.5-43.1175.4-68.8178.1-176.7178.80111.2V145 A146 N152 E175 Y178V145-K149 HydrophobicContact CG1-CD 4.31Å; V145-K149 WeakPolarHBondContact O-CG 3.41Å; V145-K149 PolarHBondContact O-N 3.38Å; A146-K149 PolarHBondContact O-N 3.24Å; K149-N152 PolarHBondContact O-N 3.47Å; K149-E175 IonicContact NZ-OE1 2.81Å; K149-E175 PolarHBondContact NZ-OE1 2.82Å; K149-Y178 HydrophobicContact CG-CD1 4.23Å; K149-Y178 HydrophobicContact CG-CE1 3.97Å
150T93.5Very high82.7Confident110 Ų11074.7 Ų74.768%0.67541%0.406SS*.Hα-helixtrans-67.3-38.2177.9-56.30000113A146 A147 N152A146-T150 PolarHBondContact O-N 3.5Å; A146-T150 PolarHBondContact O-OG1 3.02Å; A146-T150 VanDerWaalsContact O-OG1 3.07Å; A147-T150 PolarHBondContact O-N 3.43Å; T150-N152 VanDerWaalsContact C-N 3.29Å; T150-N152 PolarHBondContact O-N 3.2Å
151N90.4Very high80.4Confident115 Ų11576.4 Ų76.462%0.61542%0.422SS*.THydrogen-bonded Turntrans-85.41.8-178.5-67.7-43.3000113.5A147 L148 V153A147-N151 WeakPolarHBondContact O-CB 3.45Å; A147-N151 VanDerWaalsContact O-CG 3.32Å; A147-N151 PolarHBondContact O-N 3.06Å; A147-N151 PolarHBondContact O-ND2 3.31Å; L148-N151 PolarHBondContact O-N 3.36Å; N151-V153 VanDerWaalsContact C-N 3.27Å; N151-V153 HydrophobicContact CB-CG2 3.99Å; N151-V153 PolarHBondContact O-N 3.47Å
152N85.8Confident78.2Confident142 Ų14282.4 Ų82.476%0.75946%0.459SS*.THydrogen-bonded Turntrans50.243.7-177.5-61.1-62.9000113.2L148 K149 T150L148-N152 PolarHBondContact O-N 2.98Å; L148-N152 VanDerWaalsContact O-N 3.13Å; K149-N152 PolarHBondContact O-N 3.47Å; T150-N152 VanDerWaalsContact C-N 3.29Å; T150-N152 PolarHBondContact O-N 3.2Å
153V85.5Confident76.3Confident49 Ų4982.6 Ų82.630%0.29747%0.473SS..  trans-76.4127.6177.3-179.90000109.2L148 N151 V155 Y181L148-V153 HydrophobicContact CD2-CB 3.82Å; L148-V153 HydrophobicContact CD2-CG1 3.99Å; L148-V153 HydrophobicContact CD2-CG2 3.99Å; L148-V153 PolarHBondContact O-N 3.46Å; N151-V153 VanDerWaalsContact C-N 3.27Å; N151-V153 HydrophobicContact CB-CG2 3.99Å; N151-V153 PolarHBondContact O-N 3.47Å; V153-V155 PolarHBondContact O-N 3.05Å; V153-Y181 HydrophobicContact CG1-CE1 4.35Å
154N82.4Confident73.8Confident82 Ų8283.7 Ų83.744%0.43948%0.476SS..  trans-71113.2176.5-1768.6000110.6S156N154-S156 PolarHBondContact ND2-OG 2.84Å; N154-S156 WeakPolarHBondContact OD1-CB 3.4Å; N154-S156 PolarHBondContact OD1-N 3.49Å; N154-S156 VanDerWaalsContact OD1-N 3.08Å; N154-S156 PolarHBondContact OD1-OG 3.18Å
155V79.1Confident71.4Confident10 Ų1090.6 Ų90.66%0.06150%0.503CS..  trans-101.20.1179.4-62.80000113.4L148 V153 D177 Y178 Y181L148-V155 HydrophobicContact CD1-CG1 4.44Å; V153-V155 PolarHBondContact O-N 3.05Å; V155-D177 HydrophobicContact CG2-CB 4.41Å; V155-Y178 HydrophobicContact CB-CD1 4.34Å; V155-Y178 HydrophobicContact CB-CE1 4.34Å; V155-Y178 HydrophobicContact CG1-CD1 3.67Å; V155-Y178 HydrophobicContact CG1-CE1 3.69Å; V155-Y178 HydrophobicContact CG1-CG 4.33Å; V155-Y178 HydrophobicContact CG2-CD1 3.83Å; V155-Y178 HydrophobicContact CG2-CD2 3.71Å; V155-Y178 HydrophobicContact CG2-CE1 3.67Å; V155-Y178 HydrophobicContact CG2-CE2 3.56Å; V155-Y178 HydrophobicContact CG2-CG 3.82Å; V155-Y178 VanDerWaalsContact CG2-CZ 3.5Å; V155-Y181 HydrophobicContact CB-CG 4.39Å; V155-Y181 HydrophobicContact CG1-CD1 4.05Å; V155-Y181 HydrophobicContact CG1-CD2 4.43Å; V155-Y181 HydrophobicContact CG1-CG 3.9Å
156S70.7Confident68.9Low30 Ų3092.5 Ų92.521%0.2152%0.517CS..  trans-62.2137.8-176.362.70000112.2N154 R158N154-S156 PolarHBondContact ND2-OG 2.84Å; N154-S156 WeakPolarHBondContact OD1-CB 3.4Å; N154-S156 PolarHBondContact OD1-N 3.49Å; N154-S156 VanDerWaalsContact OD1-N 3.08Å; N154-S156 PolarHBondContact OD1-OG 3.18Å; S156-R158 PolarHBondContact O-N 3.2Å; S156-R158 PolarHBondContact OG-O 3.25Å
157S59.2Low66.5Low103 Ų10394.1 Ų94.172%0.7254%0.539SS*.SBendtrans-58.3-17.7-178.9-173.80000114
158R60.5Low64.3Low218 Ų21898.8 Ų98.882%0.82356%0.557SS**SBendtrans-115.7100.2172.3-102.8179.9177.8177.10.9110.2S156 Q160S156-R158 PolarHBondContact O-N 3.2Å; S156-R158 PolarHBondContact OG-O 3.25Å; R158-Q160 PolarHBondContact O-N 3.19Å
159V49.8Very low62.2Low122 Ų122104.1 Ų104.174%0.73958%0.582SS**  trans-69.1101168.4-177.70000108.5
160Q46.5Very low59.9Low92 Ų92104.4 Ų104.443%0.4360%0.602SS.*  trans-71.3132153.5-65.5-171.7-11.300106.6R158 F164 S166R158-Q160 PolarHBondContact O-N 3.19Å; Q160-F164 PolarHBondContact OE1-O 3.25Å; Q160-S166 PolarHBondContact NE2-OG 3.16Å; Q160-S166 PolarHBondContact OE1-OG 2.9Å
161S46.7Very low57.8Low74 Ų74104.6 Ų104.652%0.51761%0.608SS.*  trans-47.5144.1176.144.60000111.4A163 F164S161-A163 PolarHBondContact O-N 2.8Å; S161-F164 PolarHBondContact O-N 2.83Å
162T48.6Very low56.1Low127 Ų127103.2 Ų103.278%0.77960%0.604SS**THydrogen-bonded Turntrans-54.5-16.8176.650.80000114.3F165T162-F165 WeakPolarHBondContact O-CE2 3.48Å
163A52.1Low54.7Low90 Ų9099.8 Ų99.874%0.74459%0.585SS**THydrogen-bonded Turntrans-82.7-3.8174.700000114.8S161S161-A163 PolarHBondContact O-N 2.8Å
164F43.2Very low54.3Low145 Ų145103.5 Ų103.564%0.63660%0.598SS**  trans-135.880.3-176.2-135.2-91.5000110.2Q160 S161 S166Q160-F164 PolarHBondContact OE1-O 3.25Å; S161-F164 PolarHBondContact O-N 2.83Å; F164-S166 PolarHBondContact O-N 3.38Å; F164-S166 VanDerWaalsContact O-N 3.16Å
165F43.5Very low54.2Low182 Ų182105.1 Ų105.180%0.79860%0.603SS**  trans-77.795.4166.6-64.9-79.6000108T162 G167T162-F165 WeakPolarHBondContact O-CE2 3.48Å; F165-G167 PolarHBondContact O-N 2.93Å
166S42.1Very low54.4Low49 Ų49110 Ų11034%0.34363%0.625SS.*  trans-64.3117.1164.6-54.30000107.2Q160 F164 D168Q160-S166 PolarHBondContact NE2-OG 3.16Å; Q160-S166 PolarHBondContact OE1-OG 2.9Å; F164-S166 PolarHBondContact O-N 3.38Å; F164-S166 VanDerWaalsContact O-N 3.16Å; S166-D168 PolarHBondContact O-N 3.11Å
167G41.8Very low55.1Low87 Ų87110.6 Ų110.690%0.89763%0.625SS**SBendtrans-69.632.1-167.400000117F165F165-G167 PolarHBondContact O-N 2.93Å
168D47.4Very low56.5Low140 Ų140107 Ų10775%0.74960%0.596SS**  trans-154.385.1178-155.418.4000110.9S166S166-D168 PolarHBondContact O-N 3.11Å
169Q47.1Very low57.9Low125 Ų12598.5 Ų98.558%0.58457%0.567SS**  trans-144.641.7177.1-74.9-65.1-24.200111.2S171Q169-S171 VanDerWaalsContact C-N 3.35Å
170A42.9Very low59.7Low100 Ų10098.8 Ų98.883%0.82656%0.555SS**SBendtrans-87.49.3-179.400000114.5
171S49.1Very low61.8Low115 Ų11599.3 Ų99.380%0.80455%0.553SS**SBendtrans-150.613.7-169.764.50000118.3Q169Q169-S171 VanDerWaalsContact C-N 3.35Å
172T53.8Low64Low86 Ų8695.8 Ų95.853%0.52853%0.529SS..  trans-121.75.1-178.2-30.80000115.8K174T172-K174 PolarHBondContact O-N 3.04Å
173D57.7Low66.1Low69 Ų6991 Ų9137%0.36950%0.498SS..  trans-7797.1167-69.4-15.8000108.7Y178D173-Y178 HydrophobicContact CB-CD2 4.45Å; D173-Y178 HydrophobicContact CB-CE2 3.67Å; D173-Y178 PolarHBondContact OD2-OH 3.06Å
174K76.5Confident68Low128 Ų12888.1 Ų88.156%0.55748%0.476SS*.  trans-69141.9171.4-67.2-177.8179.6-178.30108.2T172 E176 D177T172-K174 PolarHBondContact O-N 3.04Å; K174-E176 HydrophobicContact CB-CB 4.33Å; K174-E176 PolarHBondContact O-N 3.29Å; K174-E176 VanDerWaalsContact O-N 3.08Å; K174-D177 WeakPolarHBondContact O-CB 3.33Å; K174-D177 PolarHBondContact O-N 3.08Å
175E80.1Confident70.3Confident116 Ų11684.3 Ų84.354%0.54246%0.462SS..Hα-helixtrans-55.4-29.5174.9-175.5148.1-127.500112K149 D177 Y178 I179K149-E175 IonicContact NZ-OE1 2.81Å; K149-E175 PolarHBondContact NZ-OE1 2.82Å; E175-D177 VanDerWaalsContact C-N 3.31Å; E175-D177 PolarHBondContact O-N 3.42Å; E175-Y178 WeakPolarHBondContact O-CB 3.34Å; E175-Y178 PolarHBondContact O-N 3.41Å; E175-I179 HydrophobicContact CG-CD1 4.33Å; E175-I179 WeakPolarHBondContact O-CG1 3.45Å; E175-I179 PolarHBondContact O-N 2.7Å
176E82.9Confident72.8Confident112 Ų11276 Ų7652%0.52343%0.426SS..Hα-helixtrans-56.6-38.8171.4-61.9174.7-179.400113.3K174 I179 R180K174-E176 HydrophobicContact CB-CB 4.33Å; K174-E176 PolarHBondContact O-N 3.29Å; K174-E176 VanDerWaalsContact O-N 3.08Å; E176-I179 PolarHBondContact O-N 2.82Å; E176-R180 WeakPolarHBondContact O-CB 3.47Å; E176-R180 PolarHBondContact O-N 3.43Å
177D85.4Confident75.2Confident42 Ų4275.1 Ų75.123%0.22542%0.42CS..Hα-helixtrans-69.9-38179.4-68.9-40.9000111.2V155 K174 E175 R180 Y181V155-D177 HydrophobicContact CG2-CB 4.41Å; K174-D177 WeakPolarHBondContact O-CB 3.33Å; K174-D177 PolarHBondContact O-N 3.08Å; E175-D177 VanDerWaalsContact C-N 3.31Å; E175-D177 PolarHBondContact O-N 3.42Å; D177-R180 PolarHBondContact O-N 2.86Å; D177-Y181 WeakPolarHBondContact O-CB 3.45Å; D177-Y181 PolarHBondContact O-N 3.08Å
178Y88.6Confident77.7Confident27 Ų2775.6 Ų75.611%0.10640%0.402CS..Hα-helixtrans-62.4-44.1172.2-80.6-83.6000111.6L148 K149 V155 D173 E175 R180 Y181 A182L148-Y178 HydrophobicContact CB-CD1 3.93Å; L148-Y178 HydrophobicContact CB-CE1 4.06Å; L148-Y178 HydrophobicContact CD1-CD1 4.34Å; K149-Y178 HydrophobicContact CG-CD1 4.23Å; K149-Y178 HydrophobicContact CG-CE1 3.97Å; V155-Y178 HydrophobicContact CB-CD1 4.34Å; V155-Y178 HydrophobicContact CB-CE1 4.34Å; V155-Y178 HydrophobicContact CG1-CD1 3.67Å; V155-Y178 HydrophobicContact CG1-CE1 3.69Å; V155-Y178 HydrophobicContact CG1-CG 4.33Å; V155-Y178 HydrophobicContact CG2-CD1 3.83Å; V155-Y178 HydrophobicContact CG2-CD2 3.71Å; V155-Y178 HydrophobicContact CG2-CE1 3.67Å; V155-Y178 HydrophobicContact CG2-CE2 3.56Å; V155-Y178 HydrophobicContact CG2-CG 3.82Å; V155-Y178 VanDerWaalsContact CG2-CZ 3.5Å; D173-Y178 HydrophobicContact CB-CD2 4.45Å; D173-Y178 HydrophobicContact CB-CE2 3.67Å; D173-Y178 PolarHBondContact OD2-OH 3.06Å; E175-Y178 WeakPolarHBondContact O-CB 3.34Å; E175-Y178 PolarHBondContact O-N 3.41Å; Y178-R180 VanDerWaalsContact C-N 3.33Å; Y178-Y181 PolarHBondContact O-N 3.31Å; Y178-A182 WeakPolarHBondContact O-CB 3.38Å; Y178-A182 PolarHBondContact O-N 3.03Å
179I89.9Confident79.9Confident41 Ų4171.6 Ų71.621%0.2138%0.377CS..Hα-helixtrans-64.3-41.7178.6-61.7167.2000110V141 V145 E175 E176 A182 H183 L202 L204V141-I179 HydrophobicContact CG1-CG2 4.04Å; V145-I179 HydrophobicContact CG2-CG1 4.35Å; E175-I179 HydrophobicContact CG-CD1 4.33Å; E175-I179 WeakPolarHBondContact O-CG1 3.45Å; E175-I179 PolarHBondContact O-N 2.7Å; E176-I179 PolarHBondContact O-N 2.82Å; I179-A182 PolarHBondContact O-N 3.43Å; I179-H183 WeakPolarHBondContact O-CB 3.46Å; I179-H183 PolarHBondContact O-N 2.87Å; I179-L202 HydrophobicContact CG2-CD1 4.32Å; I179-L202 HydrophobicContact CG2-CD2 4.49Å; I179-L204 HydrophobicContact CB-CD2 4.2Å; I179-L204 HydrophobicContact CG2-CD1 4.38Å; I179-L204 HydrophobicContact CG2-CD2 3.77Å; I179-L204 HydrophobicContact CG2-CG 4.35Å
180R88.4Confident82.1Confident128 Ų12865.7 Ų65.748%0.48335%0.349SS..Hα-helixtrans-63.6-42.7176.5-176.8173.3174.4-106-3.3112.2E176 D177 Y178 H183 G184 L204E176-R180 WeakPolarHBondContact O-CB 3.47Å; E176-R180 PolarHBondContact O-N 3.43Å; D177-R180 PolarHBondContact O-N 2.86Å; Y178-R180 VanDerWaalsContact C-N 3.33Å; R180-H183 PolarHBondContact O-N 2.89Å; R180-G184 PolarHBondContact O-N 3.37Å; R180-L204 HydrophobicContact CB-CD2 4.38Å
181Y90.4Very high84.5Confident102 Ų10261.6 Ų61.640%0.431%0.314SS..Hα-helixtrans-66.2-43.8177.1-165.6-91.8000111.7L148 V153 V155 D177 Y178 G184 L185L148-Y181 HydrophobicContact CD1-CD1 3.79Å; L148-Y181 HydrophobicContact CD2-CD1 3.95Å; L148-Y181 HydrophobicContact CD2-CE1 3.92Å; V153-Y181 HydrophobicContact CG1-CE1 4.35Å; V155-Y181 HydrophobicContact CB-CG 4.39Å; V155-Y181 HydrophobicContact CG1-CD1 4.05Å; V155-Y181 HydrophobicContact CG1-CD2 4.43Å; V155-Y181 HydrophobicContact CG1-CG 3.9Å; D177-Y181 WeakPolarHBondContact O-CB 3.45Å; D177-Y181 PolarHBondContact O-N 3.08Å; Y178-Y181 PolarHBondContact O-N 3.31Å; Y181-G184 PolarHBondContact O-N 3.06Å; Y181-L185 HydrophobicContact CD1-CD1 3.88Å; Y181-L185 HydrophobicContact CD1-CG 4.2Å; Y181-L185 HydrophobicContact CE1-CD1 3.77Å; Y181-L185 HydrophobicContact CE1-CD2 4.35Å; Y181-L185 HydrophobicContact CE1-CG 4.04Å; Y181-L185 PolarHBondContact O-N 3.38Å
182A92.2Very high86.4Confident0 Ų063.4 Ų63.40%031%0.308CS..Hα-helixtrans-61.2-42.9174.900000112.8V141 T144 V145 L148 Y178 I179 G184 L185 I186V141-A182 HydrophobicContact CG1-CB 4.02Å; T144-A182 VanDerWaalsContact OG1-CB 3.25Å; T144-A182 WeakPolarHBondContact OG1-CB 3.45Å; V145-A182 HydrophobicContact CG2-CB 3.67Å; L148-A182 HydrophobicContact CD1-CB 4.28Å; Y178-A182 WeakPolarHBondContact O-CB 3.38Å; Y178-A182 PolarHBondContact O-N 3.03Å; I179-A182 PolarHBondContact O-N 3.43Å; A182-G184 VanDerWaalsContact C-N 3.32Å; A182-G184 PolarHBondContact O-N 3.34Å; A182-L185 PolarHBondContact O-N 2.91Å; A182-I186 WeakPolarHBondContact O-CG1 3.25Å; A182-I186 PolarHBondContact O-N 2.86Å
183H92.8Very high88.2Confident28 Ų2865.6 Ų65.613%0.1331%0.312CS..Hα-helixtrans-57.6-45.8172.3170.7-90.4000110.9I179 R180 L185 I186 S187 S195 L204I179-H183 WeakPolarHBondContact O-CB 3.46Å; I179-H183 PolarHBondContact O-N 2.87Å; R180-H183 PolarHBondContact O-N 2.89Å; H183-L185 PolarHBondContact O-N 3.06Å; H183-I186 PolarHBondContact O-N 2.84Å; H183-S187 WeakPolarHBondContact O-CB 3.26Å; H183-S187 PolarHBondContact O-N 3.1Å; H183-S195 PolarHBondContact NE2-O 2.87Å; H183-L204 HydrophobicContact CB-CD1 3.85Å
184G91.6Very high89.7Confident28 Ų2862.7 Ų62.729%0.28930%0.296SS..Hα-helixtrans-56.5-48.7174.900000113R180 Y181 A182 I186 S187R180-G184 PolarHBondContact O-N 3.37Å; Y181-G184 PolarHBondContact O-N 3.06Å; A182-G184 VanDerWaalsContact C-N 3.32Å; A182-G184 PolarHBondContact O-N 3.34Å; G184-I186 VanDerWaalsContact C-N 3.33Å; G184-I186 PolarHBondContact O-N 2.96Å; G184-S187 WeakPolarHBondContact O-CB 3.38Å; G184-S187 PolarHBondContact O-N 3.13Å; G184-S187 PolarHBondContact O-OG 3.24Å
185L93Very high90.4Very high66 Ų6657.3 Ų57.335%0.34628%0.275SS..Hα-helixtrans-60-40.5176.8-71.8173.6000112.9L148 Y181 A182 H183 Y189L148-L185 HydrophobicContact CD1-CD1 4.47Å; L148-L185 HydrophobicContact CD2-CD1 4.16Å; Y181-L185 HydrophobicContact CD1-CD1 3.88Å; Y181-L185 HydrophobicContact CD1-CG 4.2Å; Y181-L185 HydrophobicContact CE1-CD1 3.77Å; Y181-L185 HydrophobicContact CE1-CD2 4.35Å; Y181-L185 HydrophobicContact CE1-CG 4.04Å; Y181-L185 PolarHBondContact O-N 3.38Å; A182-L185 PolarHBondContact O-N 2.91Å; H183-L185 PolarHBondContact O-N 3.06Å; L185-Y189 WeakPolarHBondContact O-CD2 3.39Å; L185-Y189 WeakPolarHBondContact O-CE2 3.34Å
186I94.8Very high90.9Very high6 Ų656 Ų563%0.03127%0.272CS..Hα-helixtrans-74.4-30.9179.6-69.1166000110.9F65 L137 K140 V141 T144 A182 H183 G184 D188 Y189 I190 L198F65-I186 HydrophobicContact CE1-CG2 4.26Å; F65-I186 HydrophobicContact CZ-CG2 4.46Å; L137-I186 HydrophobicContact CD2-CG2 3.9Å; K140-I186 HydrophobicContact CB-CD1 4Å; V141-I186 HydrophobicContact CB-CD1 4.12Å; V141-I186 HydrophobicContact CG2-CD1 3.47Å; V141-I186 VanDerWaalsContact CG2-CD1 3.47Å; T144-I186 HydrophobicContact CG2-CD1 4.22Å; T144-I186 HydrophobicContact CG2-CG1 4.4Å; A182-I186 WeakPolarHBondContact O-CG1 3.25Å; A182-I186 PolarHBondContact O-N 2.86Å; H183-I186 PolarHBondContact O-N 2.84Å; G184-I186 VanDerWaalsContact C-N 3.33Å; G184-I186 PolarHBondContact O-N 2.96Å; I186-D188 PolarHBondContact O-N 2.98Å; I186-Y189 PolarHBondContact O-N 3.07Å; I186-I190 HydrophobicContact CG2-CD1 4.25Å; I186-I190 HydrophobicContact CG2-CG2 4.43Å; I186-I190 PolarHBondContact O-N 3.46Å; I186-L198 HydrophobicContact CG2-CD2 4.43Å
187S93.4Very high91.2Very high32 Ų3252.6 Ų52.622%0.22426%0.257CS..Hα-helixtrans-60.1-26.7178.678.20000113.2C14 H183 G184 Y189 I190C14-S187 PolarHBondContact SG-O 3.18Å; C14-S187 VanDerWaalsContact SG-O 3.36Å; H183-S187 WeakPolarHBondContact O-CB 3.26Å; H183-S187 PolarHBondContact O-N 3.1Å; G184-S187 WeakPolarHBondContact O-CB 3.38Å; G184-S187 PolarHBondContact O-N 3.13Å; G184-S187 PolarHBondContact O-OG 3.24Å; S187-Y189 PolarHBondContact O-N 3.38Å; S187-I190 PolarHBondContact O-N 3.15Å; S187-I190 VanDerWaalsContact O-O 3.05Å
188D92.9Very high91.4Very high97 Ų9750.6 Ų50.652%0.51925%0.246SC..THydrogen-bonded Turntrans-69.4-13.1173.1-71.6-17.7000113.7C14 I186C14-D188 WeakPolarHBondContact CB-O 3.44Å; I186-D188 PolarHBondContact O-N 2.98Å
189Y94.3Very high91.4Very high56 Ų5650.8 Ų50.822%0.2225%0.252CS..THydrogen-bonded Turntrans-1140.6-179-61.2-85.2000113.9P13 E32 F65 L185 I186 S187P13-Y189 VanDerWaalsContact CB-O 3.31Å; P13-Y189 WeakPolarHBondContact CB-O 3.32Å; E32-Y189 PolarHBondContact OE1-OH 2.93Å; E32-Y189 VanDerWaalsContact OE1-OH 3.12Å; E32-Y189 VanDerWaalsContact OE2-CE1 3.32Å; E32-Y189 WeakPolarHBondContact OE2-CE1 3.21Å; F65-Y189 WeakPolarHBondContact CD1-O 3.46Å; L185-Y189 WeakPolarHBondContact O-CD2 3.39Å; L185-Y189 WeakPolarHBondContact O-CE2 3.34Å; I186-Y189 PolarHBondContact O-N 3.07Å; S187-Y189 PolarHBondContact O-N 3.38Å
190I93.8Very high91.3Very high1 Ų156 Ų561%0.00527%0.273CS..SBendtrans-127.7154.4178.959.9176.2000111.1C14 F65 L68 L137 I186 S187 L194 L198C14-I190 WeakPolarHBondContact CB-O 3.47Å; C14-I190 PolarHBondContact SG-O 2.97Å; C14-I190 VanDerWaalsContact SG-O 3.35Å; F65-I190 HydrophobicContact CD1-CG2 3.79Å; F65-I190 HydrophobicContact CE1-CG2 3.75Å; L68-I190 HydrophobicContact CD2-CG2 4.28Å; L137-I190 HydrophobicContact CD1-CD1 4.42Å; L137-I190 HydrophobicContact CD2-CG2 4.01Å; I186-I190 HydrophobicContact CG2-CD1 4.25Å; I186-I190 HydrophobicContact CG2-CG2 4.43Å; I186-I190 PolarHBondContact O-N 3.46Å; S187-I190 PolarHBondContact O-N 3.15Å; S187-I190 VanDerWaalsContact O-O 3.05Å; I190-L194 HydrophobicContact CB-CB 4.43Å; I190-L194 HydrophobicContact CD1-CB 4.28Å; I190-L198 HydrophobicContact CD1-CD2 4.25Å
191P92.5Very high91.1Very high14 Ų1454.7 Ų54.79%0.09127%0.268CS..  trans-59.4152.2171-23.534.3000112.2I72 E193 L194 S195I72-P191 HydrophobicContact CD1-CG 3.92Å; P191-E193 VanDerWaalsContact C-N 3.26Å; P191-E193 VanDerWaalsContact CB-OE2 3.24Å; P191-E193 WeakPolarHBondContact CB-OE2 3.42Å; P191-E193 PolarHBondContact O-N 2.98Å; P191-L194 PolarHBondContact O-N 3.34Å; P191-L194 VanDerWaalsContact O-N 3.1Å; P191-S195 PolarHBondContact O-N 3.48Å; P191-S195 VanDerWaalsContact O-N 3.08Å
192K90.4Very high90.8Very high153 Ų15351.5 Ų51.567%0.66526%0.258SS*.Hα-helixtrans-58.2-38.9-176.6-66.3-176.8-179.6-179.90112.3L194 S195 D196K192-L194 VanDerWaalsContact C-N 3.29Å; K192-L194 PolarHBondContact O-N 3.28Å; K192-S195 WeakPolarHBondContact O-CB 3.41Å; K192-S195 PolarHBondContact O-N 3.38Å; K192-S195 PolarHBondContact O-OG 3.2Å; K192-D196 PolarHBondContact O-N 3.04Å; K192-D196 VanDerWaalsContact O-N 3.09Å
193E89.7Confident90.1Very high131 Ų13160.3 Ų60.361%0.61230%0.297SS*.Hα-helixtrans-59.7-42.1179.7-55.878.8-170.800111.1P191 D196 D197P191-E193 VanDerWaalsContact C-N 3.26Å; P191-E193 VanDerWaalsContact CB-OE2 3.24Å; P191-E193 WeakPolarHBondContact CB-OE2 3.42Å; P191-E193 PolarHBondContact O-N 2.98Å; E193-D196 PolarHBondContact O-N 3.08Å; E193-D197 PolarHBondContact O-N 3.39Å
194L90Very high89Confident8 Ų860.5 Ų60.54%0.04230%0.298CS..Hα-helixtrans-71.8-31.7176.1-86.2-172.5000113.1L68 I72 Y128 T133 I190 P191 K192 D196 D197 L198L68-L194 HydrophobicContact CD1-CD1 4.49Å; L68-L194 HydrophobicContact CD2-CD1 3.72Å; L68-L194 HydrophobicContact CG-CD1 4.22Å; I72-L194 HydrophobicContact CD1-CD1 3.54Å; I72-L194 HydrophobicContact CD1-CG 4.26Å; Y128-L194 WeakPolarHBondContact OH-CD2 3.35Å; T133-L194 HydrophobicContact CG2-CD1 4.27Å; I190-L194 HydrophobicContact CB-CB 4.43Å; I190-L194 HydrophobicContact CD1-CB 4.28Å; P191-L194 PolarHBondContact O-N 3.34Å; P191-L194 VanDerWaalsContact O-N 3.1Å; K192-L194 VanDerWaalsContact C-N 3.29Å; K192-L194 PolarHBondContact O-N 3.28Å; L194-D196 VanDerWaalsContact C-N 3.29Å; L194-D196 PolarHBondContact O-N 3.25Å; L194-D197 PolarHBondContact O-N 2.81Å; L194-L198 VanDerWaalsContact O-CB 3.3Å; L194-L198 WeakPolarHBondContact O-CB 3.47Å; L194-L198 PolarHBondContact O-N 3.01Å
195S90.4Very high87.4Confident16 Ų1663.7 Ų63.711%0.11231%0.314CS..Hα-helixtrans-64.1-37176.284.30000111.9H183 P191 K192 L198 S199H183-S195 PolarHBondContact NE2-O 2.87Å; P191-S195 PolarHBondContact O-N 3.48Å; P191-S195 VanDerWaalsContact O-N 3.08Å; K192-S195 WeakPolarHBondContact O-CB 3.41Å; K192-S195 PolarHBondContact O-N 3.38Å; K192-S195 PolarHBondContact O-OG 3.2Å; S195-L198 PolarHBondContact O-N 3.09Å; S195-S199 PolarHBondContact O-N 2.92Å
196D90.6Very high85.2Confident89 Ų8969.1 Ų69.148%0.47634%0.337SS..Hα-helixtrans-72.8-36.8177.4-66.7-24.5000111.9K192 E193 L194 S199 K200K192-D196 PolarHBondContact O-N 3.04Å; K192-D196 VanDerWaalsContact O-N 3.09Å; E193-D196 PolarHBondContact O-N 3.08Å; L194-D196 VanDerWaalsContact C-N 3.29Å; L194-D196 PolarHBondContact O-N 3.25Å; D196-S199 PolarHBondContact O-OG 2.66Å; D196-K200 WeakPolarHBondContact O-CD 3.41Å; D196-K200 VanDerWaalsContact O-CG 3.29Å; D196-K200 WeakPolarHBondContact O-CG 3.33Å; D196-K200 PolarHBondContact O-N 2.91Å
197D90.1Very high83Confident39 Ų3973.3 Ų73.321%0.20937%0.365CS..Hα-helixtrans-66.7-39.9173.3-69.8-48.8000111.6K130 L134 E193 L194 Y201K130-D197 WeakPolarHBondContact CE-OD2 3.45Å; K130-D197 IonicContact NZ-OD1 3.95Å; K130-D197 PolarHBondContact NZ-OD1 3.3Å; K130-D197 IonicContact NZ-OD2 3.37Å; K130-D197 PolarHBondContact NZ-OD2 3.22Å; L134-D197 HydrophobicContact CD2-CB 4.21Å; E193-D197 PolarHBondContact O-N 3.39Å; L194-D197 PolarHBondContact O-N 2.81Å; D197-Y201 WeakPolarHBondContact O-CB 3.48Å; D197-Y201 PolarHBondContact O-N 2.96Å
198L89.8Confident80.4Confident0 Ų077 Ų770%039%0.391CS..Hα-helixtrans-67.6-40.2178.5-176.762.6000111.8L134 L137 V141 I186 I190 L194 S195 Y201 L202L134-L198 HydrophobicContact CD2-CB 4.4Å; L134-L198 HydrophobicContact CD2-CD1 4.38Å; L137-L198 HydrophobicContact CB-CD1 3.73Å; L137-L198 HydrophobicContact CB-CD2 4.09Å; L137-L198 HydrophobicContact CD1-CD1 4.49Å; L137-L198 HydrophobicContact CD1-CD2 4.32Å; V141-L198 HydrophobicContact CG2-CD2 4.19Å; I186-L198 HydrophobicContact CG2-CD2 4.43Å; I190-L198 HydrophobicContact CD1-CD2 4.25Å; L194-L198 VanDerWaalsContact O-CB 3.3Å; L194-L198 WeakPolarHBondContact O-CB 3.47Å; L194-L198 PolarHBondContact O-N 3.01Å; S195-L198 PolarHBondContact O-N 3.09Å; L198-Y201 PolarHBondContact O-N 3.13Å; L198-L202 HydrophobicContact CD1-CD1 3.93Å; L198-L202 HydrophobicContact CD1-CG 4.1Å; L198-L202 HydrophobicContact CD2-CD1 4.4Å; L198-L202 HydrophobicContact CG-CD1 3.75Å; L198-L202 HydrophobicContact CG-CG 4.35Å; L198-L202 WeakPolarHBondContact O-CB 3.49Å; L198-L202 VanDerWaalsContact O-CG 3.29Å; L198-L202 WeakPolarHBondContact O-CG 3.41Å; L198-L202 PolarHBondContact O-N 3.3Å
199S88.1Confident77.8Confident32 Ų3276.6 Ų76.622%0.22440%0.401CS..Hα-helixtrans-63.9-41.4177.864.70000111.7S195 D196 L202 K203 L204S195-S199 PolarHBondContact O-N 2.92Å; D196-S199 PolarHBondContact O-OG 2.66Å; S199-L202 PolarHBondContact O-N 3.42Å; S199-K203 PolarHBondContact O-N 2.98Å; S199-L204 PolarHBondContact O-N 2.83Å; S199-L204 VanDerWaalsContact O-N 3.17Å
200K89.2Confident75.1Confident151 Ų15179.4 Ų79.466%0.65743%0.429SS*.Hα-helixtrans-62.7-43.9172.8-69.9169.3-171.7169.30111.9D196 K203D196-K200 WeakPolarHBondContact O-CD 3.41Å; D196-K200 VanDerWaalsContact O-CG 3.29Å; D196-K200 WeakPolarHBondContact O-CG 3.33Å; D196-K200 PolarHBondContact O-N 2.91Å; K200-K203 PolarHBondContact O-N 3.36Å
201Y84.4Confident72.6Confident99 Ų9986.6 Ų86.639%0.38847%0.467SS..Hα-helixtrans-65-40.7-179.8-174.3-89.6000112.2L134 E138 D197 L198 K203L134-Y201 HydrophobicContact CB-CD2 4.42Å; L134-Y201 HydrophobicContact CD1-CD2 4.2Å; E138-Y201 HydrophobicContact CB-CE1 4.22Å; E138-Y201 HydrophobicContact CG-CE1 4.33Å; E138-Y201 VanDerWaalsContact OE2-CE1 3.31Å; E138-Y201 WeakPolarHBondContact OE2-CE1 3.27Å; E138-Y201 PolarHBondContact OE2-OH 3.47Å; D197-Y201 WeakPolarHBondContact O-CB 3.48Å; D197-Y201 PolarHBondContact O-N 2.96Å; L198-Y201 PolarHBondContact O-N 3.13Å; Y201-K203 PolarHBondContact O-N 3.45Å
202L82.5Confident70Confident36 Ų3691.2 Ų91.219%0.18850%0.497CS..THydrogen-bonded Turntrans-74.9-3.6176.1-68.5167.3000113.6E138 V141 I179 L198 S199 L204E138-L202 HydrophobicContact CG-CD2 4.48Å; V141-L202 HydrophobicContact CG1-CD1 4.36Å; V141-L202 HydrophobicContact CG2-CD1 4.05Å; I179-L202 HydrophobicContact CG2-CD1 4.32Å; I179-L202 HydrophobicContact CG2-CD2 4.49Å; L198-L202 HydrophobicContact CD1-CD1 3.93Å; L198-L202 HydrophobicContact CD1-CG 4.1Å; L198-L202 HydrophobicContact CD2-CD1 4.4Å; L198-L202 HydrophobicContact CG-CD1 3.75Å; L198-L202 HydrophobicContact CG-CG 4.35Å; L198-L202 WeakPolarHBondContact O-CB 3.49Å; L198-L202 VanDerWaalsContact O-CG 3.29Å; L198-L202 WeakPolarHBondContact O-CG 3.41Å; L198-L202 PolarHBondContact O-N 3.3Å; S199-L202 PolarHBondContact O-N 3.42Å; L202-L204 HydrophobicContact CB-CD1 4.24Å; L202-L204 HydrophobicContact CB-CG 3.96Å; L202-L204 HydrophobicContact CD1-CD1 4.18Å; L202-L204 PolarHBondContact O-N 3.23Å
203K78.7Confident67.6Low185 Ų18590.8 Ų90.880%0.80450%0.502SS*.THydrogen-bonded Turntrans52.735.2-175.7-54.9177.1-178.1175.20112.5S199 K200 Y201S199-K203 PolarHBondContact O-N 2.98Å; K200-K203 PolarHBondContact O-N 3.36Å; Y201-K203 PolarHBondContact O-N 3.45Å
204L68.3Low65.5Low32 Ų3289.9 Ų89.917%0.16851%0.507CS..PPolyproline II helixtrans-67134.1175.7-72.8172000108.5I179 R180 H183 S199 L202 E206I179-L204 HydrophobicContact CB-CD2 4.2Å; I179-L204 HydrophobicContact CG2-CD1 4.38Å; I179-L204 HydrophobicContact CG2-CD2 3.77Å; I179-L204 HydrophobicContact CG2-CG 4.35Å; R180-L204 HydrophobicContact CB-CD2 4.38Å; H183-L204 HydrophobicContact CB-CD1 3.85Å; S199-L204 PolarHBondContact O-N 2.83Å; S199-L204 VanDerWaalsContact O-N 3.17Å; L202-L204 HydrophobicContact CB-CD1 4.24Å; L202-L204 HydrophobicContact CB-CG 3.96Å; L202-L204 HydrophobicContact CD1-CD1 4.18Å; L202-L204 PolarHBondContact O-N 3.23Å; L204-E206 PolarHBondContact O-N 2.63Å
205P58Low63.1Low94 Ų9495.2 Ų95.261%0.6154%0.542SS*.PPolyproline II helixtrans-55.2129.7170.9-20.130.6000108.7
206E48.4Very low61.2Low180 Ų18099.2 Ų99.284%0.84157%0.57SS**PPolyproline II helixtrans-50129.5167.7-99.6-177.6167.100107.5L204 S208L204-E206 PolarHBondContact O-N 2.63Å; E206-S208 PolarHBondContact O-N 3.29Å
207P48.5Very low59Low95 Ų95104.7 Ų104.762%0.61759%0.59SS**  trans-57.5115179.622.1-29.9000107.1A209P207-A209 PolarHBondContact O-N 2.63Å; P207-A209 VanDerWaalsContact O-N 3.16Å
208S38.2Very low56.8Low110 Ų110112.1 Ų112.177%0.76962%0.62SS**  trans-51.6128.2171.749.50000107.1E206 S210E206-S208 PolarHBondContact O-N 3.29Å; S208-S210 PolarHBondContact O-N 3.08Å
209A38.3Very low54.8Low88 Ų88119.3 Ų119.373%0.72766%0.657SS**  trans-40.8128.917800000108.8P207 L211P207-A209 PolarHBondContact O-N 2.63Å; P207-A209 VanDerWaalsContact O-N 3.16Å; A209-L211 PolarHBondContact O-N 3.37Å
210S36.8Very low52.5Low114 Ų114126.9 Ų126.980%0.79769%0.686SS**  trans-40.2109.3178.453.10000109.1S208 P212S208-S210 PolarHBondContact O-N 3.08Å; S210-P212 VanDerWaalsContact O-N 3.17Å
211L41Very low50.2Low153 Ų153128 Ų12880%0.80170%0.698SS**  trans-54.2128.4167-76.9170.2000105.6A209 N213A209-L211 PolarHBondContact O-N 3.37Å; L211-N213 PolarHBondContact O-N 3.21Å
212P38Very low48.2Very low111 Ų111127.3 Ų127.372%0.72171%0.707SS**  trans-52.4125-178.119.1-30.1000107.5S210 P214S210-P212 VanDerWaalsContact O-N 3.17Å; P212-P214 VanDerWaalsContact O-N 3.13Å
213N41.9Very low46.6Very low144 Ų144134 Ų13477%0.7774%0.744SS**  trans-42.6126.9171.6-78.5-39.1000107.2L211 P215L211-N213 PolarHBondContact O-N 3.21Å; N213-P215 VanDerWaalsContact O-N 3.13Å
214P45.3Very low45.1Very low111 Ų111132.4 Ų132.472%0.72174%0.739SS**PPolyproline II helixtrans-51.7130.5174.521.5-30.7000106.3P212 S216P212-P214 VanDerWaalsContact O-N 3.13Å; P214-S216 PolarHBondContact O-N 3.02Å
215P39.6Very low43.8Very low120 Ų120136.5 Ų136.578%0.77977%0.768SS**PPolyproline II helixtrans-50.9118.2-168.418-30.7000107.5N213 K217N213-P215 VanDerWaalsContact O-N 3.13Å; P215-K217 PolarHBondContact O-N 3.1Å
216S49.9Very low43.5Very low100 Ų100138.9 Ų138.970%0.69978%0.78SS**PPolyproline II helixtrans-47.4119.6167-26.10000103.9P214 K218P214-S216 PolarHBondContact O-N 3.02Å; S216-K218 PolarHBondContact O-N 3.04Å
217K44.5Very low43.6Very low205 Ų205138.2 Ų138.289%0.89178%0.777SS**  trans-53.4101.2172.8-83.6179.7177.3175.40105P215 I219P215-K217 PolarHBondContact O-N 3.1Å; K217-I219 VanDerWaalsContact C-N 3.27Å; K217-I219 PolarHBondContact O-N 3.4Å
218K43Very low43.5Very low194 Ų194137.6 Ų137.684%0.84378%0.78SS**  trans-59.4101.5175.6-70.8-172.4176.6-1760103.9S216 K220S216-K218 PolarHBondContact O-N 3.04Å; K218-K220 PolarHBondContact O-N 3.05Å
219I48.5Very low44.5Very low152 Ų152142.2 Ų142.278%0.77979%0.786SS**  trans-53117.2152.2-77.3167.8000103.2K217 L221K217-I219 VanDerWaalsContact C-N 3.27Å; K217-I219 PolarHBondContact O-N 3.4Å; I219-L221 VanDerWaalsContact C-N 3.33Å; I219-L221 PolarHBondContact O-N 2.85Å
220K39.8Very low45.1Very low191 Ų191144.2 Ų144.283%0.8378%0.78SS**  trans-55.3104.1176.5-75.9179.5174.2-178.50106.3K218 S222K218-K220 PolarHBondContact O-N 3.05Å; K220-S222 PolarHBondContact O-N 2.81Å
221L41.7Very low45.9Very low174 Ų174142.5 Ų142.591%0.91176%0.762SS**  trans-6594.1158.3-77.7160.8000104.9I219I219-L221 VanDerWaalsContact C-N 3.33Å; I219-L221 PolarHBondContact O-N 2.85Å
222S42.4Very low46.6Very low84 Ų84143.1 Ų143.159%0.58776%0.755SS**  trans-68.7132.9157.844.80000107.5K220 E224K220-S222 PolarHBondContact O-N 2.81Å; S222-E224 PolarHBondContact O-N 3.06Å
223D47.3Very low47.7Very low177 Ų177143.4 Ų143.495%0.94776%0.755SS**SBendtrans-77.446.1-178.9-141.63.9000111.4
224E48.7Very low48.1Very low152 Ų152143.7 Ų143.771%0.7175%0.749SS**SBendtrans-115.8138.2173.6-85.9179.8160.500108.7S222 V226S222-E224 PolarHBondContact O-N 3.06Å; E224-V226 PolarHBondContact O-N 3.15Å; E224-V226 VanDerWaalsContact O-N 3.09Å
225P40.6Very low48.1Very low118 Ų118146.7 Ų146.777%0.76675%0.751SS**  trans-56.1121178.6-18.129.4000109.4E227P225-E227 PolarHBondContact O-N 3.38Å
226V50.6Low48.4Very low143 Ų143148.7 Ų148.787%0.86776%0.755SS**  trans-72.384.9170-176.90000106.8E224 A228E224-V226 PolarHBondContact O-N 3.15Å; E224-V226 VanDerWaalsContact O-N 3.09Å; V226-A228 PolarHBondContact O-N 3.08Å
227E50.6Low48Very low167 Ų167150.1 Ų150.178%0.7876%0.76SS**  trans-63.4127.3166.3-75.7-170.8157.600108.5P225 K229P225-E227 PolarHBondContact O-N 3.38Å; E227-K229 PolarHBondContact O-N 2.91Å
228A48.1Very low48.1Very low82 Ų82150 Ų15068%0.67876%0.76SS**  trans-56.5114.6170.200000108.4V226 E230V226-A228 PolarHBondContact O-N 3.08Å; A228-E230 PolarHBondContact O-N 3.46Å; A228-E230 VanDerWaalsContact O-N 3.1Å
229K58.2Low47.9Very low206 Ų206148.1 Ų148.190%0.89676%0.759SS**SBendtrans-62.7-17-177.9-93.4178.3176170.60114E227E227-K229 PolarHBondContact O-N 2.91Å
230E50.5Low47.8Very low131 Ų131149.5 Ų149.561%0.61277%0.767SS**  trans-136.386.8-175.5-63.6-178.3-177.500109.4A228 Y232A228-E230 PolarHBondContact O-N 3.46Å; A228-E230 VanDerWaalsContact O-N 3.1Å; E230-Y232 HydrophobicContact CB-CD2 4.31Å; E230-Y232 HydrophobicContact CB-CE2 3.67Å; E230-Y232 WeakPolarHBondContact O-CD2 3.11Å; E230-Y232 WeakPolarHBondContact O-CE2 3.49Å; E230-Y232 PolarHBondContact O-N 2.86Å; E230-Y232 PolarHBondContact OE2-OH 2.68Å
231D53.6Low47.7Very low78 Ų78149 Ų14942%0.41777%0.765SS.*  trans-80.7100.4167.8-175.10000108.9T233 K234D231-T233 VanDerWaalsContact CG-OG1 3.26Å; D231-T233 PolarHBondContact O-N 3.45Å; D231-T233 VanDerWaalsContact O-N 3.08Å; D231-T233 WeakPolarHBondContact OD1-CB 3.21Å; D231-T233 PolarHBondContact OD1-N 3.16Å; D231-T233 PolarHBondContact OD1-OG1 3.47Å; D231-T233 PolarHBondContact OD2-OG1 2.7Å; D231-K234 VanDerWaalsContact OD2-CE 3.27Å; D231-K234 WeakPolarHBondContact OD2-CE 3.35Å; D231-K234 IonicContact OD2-NZ 3.83Å
232Y56.4Low47.9Very low165 Ų165147 Ų14765%0.64776%0.76SS**THydrogen-bonded Turntrans-69.60.7-176.7-73.6-92.3000113.9E230 K234 F235E230-Y232 HydrophobicContact CB-CD2 4.31Å; E230-Y232 HydrophobicContact CB-CE2 3.67Å; E230-Y232 WeakPolarHBondContact O-CD2 3.11Å; E230-Y232 WeakPolarHBondContact O-CE2 3.49Å; E230-Y232 PolarHBondContact O-N 2.86Å; E230-Y232 PolarHBondContact OE2-OH 2.68Å; Y232-K234 VanDerWaalsContact C-N 3.35Å; Y232-F235 HydrophobicContact CD1-CE2 4.28Å
233T61.5Low47.8Very low117 Ų117150.8 Ų150.872%0.71877%0.768SS**THydrogen-bonded Turntrans-83.5-5.7178.264.50000114.1D231D231-T233 VanDerWaalsContact CG-OG1 3.26Å; D231-T233 PolarHBondContact O-N 3.45Å; D231-T233 VanDerWaalsContact O-N 3.08Å; D231-T233 WeakPolarHBondContact OD1-CB 3.21Å; D231-T233 PolarHBondContact OD1-N 3.16Å; D231-T233 PolarHBondContact OD1-OG1 3.47Å; D231-T233 PolarHBondContact OD2-OG1 2.7Å
234K50.1Low47.6Very low151 Ų151151.9 Ų151.966%0.65776%0.764SS**  trans-10626.4-170.2-60.9-173.7-176.6171.60116.1D231 Y232 N236D231-K234 VanDerWaalsContact OD2-CE 3.27Å; D231-K234 WeakPolarHBondContact OD2-CE 3.35Å; D231-K234 IonicContact OD2-NZ 3.83Å; Y232-K234 VanDerWaalsContact C-N 3.35Å; K234-N236 PolarHBondContact O-N 3.21Å; K234-N236 VanDerWaalsContact O-N 3.15Å
235F43.9Very low47.3Very low174 Ų174152.8 Ų152.876%0.76377%0.766SS**THydrogen-bonded Turntrans-77.914-179.5-92.2-77.1000116.2Y232Y232-F235 HydrophobicContact CD1-CE2 4.28Å
236N46.3Very low47.7Very low161 Ų161154.6 Ų154.686%0.86177%0.769SS**THydrogen-bonded Turntrans-122.624.8-173.3-107.6-7000117.4K234K234-N236 PolarHBondContact O-N 3.21Å; K234-N236 VanDerWaalsContact O-N 3.15Å
237T42Very low47.9Very low131 Ų131152.4 Ų152.480%0.80476%0.76SS**  trans-133.1108.6164.750.40000111D239T237-D239 PolarHBondContact O-N 3.27Å
238K46.6Very low48.3Very low203 Ų203154.3 Ų154.388%0.88377%0.766SS**  trans-60.6124.7169.2-68.3171.3175.3173.10109.4
239D39.4Very low48.8Very low153 Ų153155.2 Ų155.282%0.81876%0.758SS**  trans-163.598.6139.9-99-37.3000110.6T237 K241T237-D239 PolarHBondContact O-N 3.27Å; D239-K241 PolarHBondContact O-N 2.8Å
240L44.7Very low49.2Very low182 Ų182149.8 Ų149.895%0.95374%0.742SS**  trans-81.890170.5-78.4163.3000108.8
241K38.5Very low50.1Low180 Ų180147.6 Ų147.678%0.78375%0.746SS**  trans-136101.7162.2-74.9-172-178.9172.30111.4D239D239-K241 PolarHBondContact O-N 2.8Å
242T46.9Very low51Low132 Ų132147.1 Ų147.181%0.8175%0.753SS**  trans42.897.9142.436.20000118.8
243E39.2Very low51.8Low163 Ų163143.2 Ų143.276%0.76274%0.74SS**  trans-135.198.8139.2-78.7-159.6168.100110.1K245E243-K245 PolarHBondContact O-N 3.2Å; E243-K245 IonicContact OE2-NZ 3.98Å
244K42.9Very low52.5Low200 Ų200143.9 Ų143.987%0.8773%0.733SS**  trans-76.995.5163-82.9-179.8176.3175.30108N246K244-N246 PolarHBondContact O-N 2.92Å
245K43Very low53.6Low171 Ų171139.6 Ų139.674%0.74373%0.726SS**  trans-76.7110.8163.5-78.8-179.5-179.41710108.8E243 S247E243-K245 PolarHBondContact O-N 3.2Å; E243-K245 IonicContact OE2-NZ 3.98Å; K245-S247 VanDerWaalsContact C-N 3.33Å; K245-S247 PolarHBondContact O-N 3.37Å
246N47.8Very low54.7Low157 Ų157137.3 Ų137.384%0.8472%0.721SS**  trans-67.788.4171.4-77.4-22.5000109.7K244 K248K244-N246 PolarHBondContact O-N 2.92Å; N246-K248 PolarHBondContact O-N 3.06Å
247S56Low55.7Low96 Ų96132.5 Ų132.567%0.67170%0.704SS**  trans-71121.4170660000109.4K245 M249K245-S247 VanDerWaalsContact C-N 3.33Å; K245-S247 PolarHBondContact O-N 3.37Å; S247-M249 PolarHBondContact O-N 3.4Å
248K59.7Low57.1Low207 Ų207135 Ų13590%0.970%0.703SS**  trans-57.9112.8171.9-76.7177.5177.31750109N246N246-K248 PolarHBondContact O-N 3.06Å
249M57.1Low58.4Low102 Ų102129.2 Ų129.250%0.50269%0.685SS.*  trans-62.3136.1180-69-166.6118.800112S247 Q253 K254S247-M249 PolarHBondContact O-N 3.4Å; M249-Q253 VanDerWaalsContact CA-OE1 3.29Å; M249-Q253 HydrophobicContact CB-CB 4.01Å; M249-Q253 HydrophobicContact CE-CB 4Å; M249-Q253 HydrophobicContact CG-CB 4.43Å; M249-Q253 HydrophobicContact SD-CB 4.34Å; M249-K254 HydrophobicContact CB-CG 4.16Å
250T66.7Low59.8Low92 Ų92128 Ų12856%0.56468%0.679SS**  trans-66.7157.4173.310.10000111.3A252 Q253 K254T250-A252 PolarHBondContact O-N 2.93Å; T250-A252 VanDerWaalsContact O-N 3.16Å; T250-Q253 VanDerWaalsContact N-OE1 3.13Å; T250-Q253 WeakPolarHBondContact O-CA 3.41Å; T250-Q253 WeakPolarHBondContact O-CB 3.4Å; T250-Q253 PolarHBondContact O-N 3.06Å; T250-Q253 PolarHBondContact OG1-OE1 3.07Å; T250-K254 PolarHBondContact O-N 3.24Å
251A70Confident61.1Low85 Ų85126 Ų12670%0.70266%0.662SS**Hα-helixtrans-54.4-37.4-176.900000113.4K254 A255A251-K254 PolarHBondContact O-N 3.31Å; A251-A255 PolarHBondContact O-N 3.49Å
252A71.5Confident62.2Low67 Ų67122.6 Ų122.655%0.55466%0.661SS**Hα-helixtrans-64.8-38174.800000113.1T250 A255 L256T250-A252 PolarHBondContact O-N 2.93Å; T250-A252 VanDerWaalsContact O-N 3.16Å; A252-A255 PolarHBondContact O-N 3.16Å; A252-L256 PolarHBondContact O-N 3.35Å; A252-L256 VanDerWaalsContact O-N 3.07Å
253Q74.3Confident63.3Low84 Ų84120.1 Ų120.139%0.39366%0.662SS.*Hα-helixtrans-70-35.4176.8-67.2175.7-22.800111.7M249 T250 A255 L256 A257M249-Q253 VanDerWaalsContact CA-OE1 3.29Å; M249-Q253 HydrophobicContact CB-CB 4.01Å; M249-Q253 HydrophobicContact CE-CB 4Å; M249-Q253 HydrophobicContact CG-CB 4.43Å; M249-Q253 HydrophobicContact SD-CB 4.34Å; T250-Q253 VanDerWaalsContact N-OE1 3.13Å; T250-Q253 WeakPolarHBondContact O-CA 3.41Å; T250-Q253 WeakPolarHBondContact O-CB 3.4Å; T250-Q253 PolarHBondContact O-N 3.06Å; T250-Q253 PolarHBondContact OG1-OE1 3.07Å; Q253-A255 VanDerWaalsContact C-N 3.34Å; Q253-L256 PolarHBondContact O-N 3.03Å; Q253-A257 WeakPolarHBondContact O-CB 3.49Å; Q253-A257 PolarHBondContact O-N 3.5Å
254K76.1Confident64.9Low130 Ų130119.1 Ų119.157%0.56566%0.659SS**Hα-helixtrans-66.9-33.9172.2-69.2-176.8-178.6179.50112.5M249 T250 A251 K258M249-K254 HydrophobicContact CB-CG 4.16Å; T250-K254 PolarHBondContact O-N 3.24Å; A251-K254 PolarHBondContact O-N 3.31Å; K254-K258 WeakPolarHBondContact O-CG 3.46Å; K254-K258 PolarHBondContact O-N 3.05Å
255A72.9Confident66.2Low62 Ų62117.5 Ų117.551%0.51265%0.652SS.*Hα-helixtrans-68.5-44.4175.700000111.6A251 A252 Q253 A257 K258A251-A255 PolarHBondContact O-N 3.49Å; A252-A255 PolarHBondContact O-N 3.16Å; Q253-A255 VanDerWaalsContact C-N 3.34Å; A255-A257 VanDerWaalsContact C-N 3.3Å; A255-A257 PolarHBondContact O-N 3Å; A255-K258 PolarHBondContact O-N 3.16Å
256L67.4Low67.7Low126 Ų126112.5 Ų112.566%0.6664%0.638SS**Hα-helixtrans-65.4-30.8175.6-73.5166.8000113.1A252 Q253 K258 V259A252-L256 PolarHBondContact O-N 3.35Å; A252-L256 VanDerWaalsContact O-N 3.07Å; Q253-L256 PolarHBondContact O-N 3.03Å; L256-K258 VanDerWaalsContact C-N 3.28Å; L256-K258 PolarHBondContact O-N 3.16Å; L256-V259 PolarHBondContact O-N 3.3Å
257A67.6Low68.6Low59 Ų59110.7 Ų110.749%0.48863%0.627SS.*Hα-helixtrans-71.1-20.1177.200000114Q253 A255 V259Q253-A257 WeakPolarHBondContact O-CB 3.49Å; Q253-A257 PolarHBondContact O-N 3.5Å; A255-A257 VanDerWaalsContact C-N 3.3Å; A255-A257 PolarHBondContact O-N 3Å; A257-V259 VanDerWaalsContact C-N 3.35Å
258K71.7Confident69Low183 Ų183111.8 Ų111.880%0.79663%0.626SS**THydrogen-bonded Turntrans-86.7-2.1178.9-72.4-179.9-179.6-172.50113.9K254 A255 L256K254-K258 WeakPolarHBondContact O-CG 3.46Å; K254-K258 PolarHBondContact O-N 3.05Å; A255-K258 PolarHBondContact O-N 3.16Å; L256-K258 VanDerWaalsContact C-N 3.28Å; L256-K258 PolarHBondContact O-N 3.16Å
259V72.1Confident69.4Low82 Ų82106.4 Ų106.450%0.49761%0.61SS.*SBendtrans-69.6131.11771780000109L256 A257 K261L256-V259 PolarHBondContact O-N 3.3Å; A257-V259 VanDerWaalsContact C-N 3.35Å; V259-K261 PolarHBondContact O-N 3.4Å
260D69.7Low69.8Low129 Ų129109 Ų10969%0.6962%0.619SS**  trans-65.3122.2178-167.5-5.8000110S262D260-S262 VanDerWaalsContact OD1-CB 3.31Å; D260-S262 WeakPolarHBondContact OD1-CB 3.44Å; D260-S262 PolarHBondContact OD1-N 3.47Å
261K71.1Confident70.2Confident139 Ų139112.5 Ų112.560%0.60463%0.627SS**  trans-100.93.3-176.8-63.5176.7-174.5176.60112.1V259 G263 M264V259-K261 PolarHBondContact O-N 3.4Å; K261-G263 PolarHBondContact O-N 3.42Å; K261-G263 VanDerWaalsContact O-N 3.12Å; K261-M264 PolarHBondContact O-N 3.24Å; K261-M264 VanDerWaalsContact O-N 3.12Å
262S63.2Low70Confident108 Ų108111 Ų11176%0.75562%0.619SS**THydrogen-bonded Turntrans-60.5114.8176.5-170.10000110D260D260-S262 VanDerWaalsContact OD1-CB 3.31Å; D260-S262 WeakPolarHBondContact OD1-CB 3.44Å; D260-S262 PolarHBondContact OD1-N 3.47Å
263G69.2Low69.6Low80 Ų80114.1 Ų114.183%0.82563%0.631SS**THydrogen-bonded Turntrans98.1-9.1-178.600000116.1K261K261-G263 PolarHBondContact O-N 3.42Å; K261-G263 VanDerWaalsContact O-N 3.12Å
264M72.9Confident68.8Low143 Ų143119.6 Ų119.670%0.70465%0.654SS**PPolyproline II helixtrans-81.2121.2173.5-68.4-179.1114.500110.6K261K261-M264 PolarHBondContact O-N 3.24Å; K261-M264 VanDerWaalsContact O-N 3.12Å
265K70.9Confident67.7Low166 Ų166120.9 Ų120.972%0.72267%0.667SS**PPolyproline II helixtrans-71.4135.5174.7-66.4-179.6-179.9177.80109.8
266S74.3Confident66.5Low66 Ų66127.7 Ų127.746%0.46269%0.685SS.*PPolyproline II helixtrans-57.8141.6173.5-175.90000109.9D268 T269S266-D268 PolarHBondContact O-N 3.12Å; S266-D268 VanDerWaalsContact O-N 3.16Å; S266-D268 PolarHBondContact OG-OD2 3.27Å; S266-T269 VanDerWaalsContact O-CB 3.26Å; S266-T269 WeakPolarHBondContact O-CB 3.44Å; S266-T269 PolarHBondContact O-N 3.3Å; S266-T269 PolarHBondContact O-OG1 2.67Å
267I66.6Low65.5Low118 Ų118131.3 Ų131.361%0.60570%0.695SS**THydrogen-bonded Turntrans-60.1-26.4-179.7-162.1153000112.4T269 F270 F271I267-T269 PolarHBondContact O-N 3.1Å; I267-T269 VanDerWaalsContact O-N 3.16Å; I267-F270 WeakPolarHBondContact O-CB 3.26Å; I267-F270 PolarHBondContact O-N 3.42Å; I267-F271 HydrophobicContact CG1-CD2 4.46Å; I267-F271 HydrophobicContact CG1-CE2 3.97Å; I267-F271 WeakPolarHBondContact O-CD2 3.31Å
268D63.3Low64.5Low119 Ų119138.5 Ų138.564%0.63672%0.716SS**Hα-helixtrans-61-25.7175.2-59.3-44.8000112.7S266 F270 F271 G272S266-D268 PolarHBondContact O-N 3.12Å; S266-D268 VanDerWaalsContact O-N 3.16Å; S266-D268 PolarHBondContact OG-OD2 3.27Å; D268-F270 PolarHBondContact O-N 2.97Å; D268-F271 PolarHBondContact O-N 3.34Å; D268-G272 PolarHBondContact O-N 3.22Å; D268-G272 VanDerWaalsContact O-N 3.12Å
269T68Low63.2Low94 Ų94137.5 Ų137.558%0.57772%0.717SS**Hα-helixtrans-67.6-22.1176.8-28.50000112.3S266 I267S266-T269 VanDerWaalsContact O-CB 3.26Å; S266-T269 WeakPolarHBondContact O-CB 3.44Å; S266-T269 PolarHBondContact O-N 3.3Å; S266-T269 PolarHBondContact O-OG1 2.67Å; I267-T269 PolarHBondContact O-N 3.1Å; I267-T269 VanDerWaalsContact O-N 3.16Å
270F65.8Low61.5Low156 Ų156137.1 Ų137.168%0.68473%0.73SS**Hα-helixtrans-83.2-22.1177.8-73.5-90.7000113.1I267 D268I267-F270 WeakPolarHBondContact O-CB 3.26Å; I267-F270 PolarHBondContact O-N 3.42Å; D268-F270 PolarHBondContact O-N 2.97Å
271F75.4Confident60Low166 Ų166140.4 Ų140.473%0.72874%0.738SS**Hα-helixtrans-109.5-1.2-176.8-61-73.4000113.6I267 D268 V273I267-F271 HydrophobicContact CG1-CD2 4.46Å; I267-F271 HydrophobicContact CG1-CE2 3.97Å; I267-F271 WeakPolarHBondContact O-CD2 3.31Å; D268-F271 PolarHBondContact O-N 3.34Å; F271-V273 PolarHBondContact O-N 3.27Å
272G65.8Low58.5Low53 Ų53144.2 Ų144.255%0.54677%0.772SS.*  trans-69.4121.5174.700000112.8D268 K274D268-G272 PolarHBondContact O-N 3.22Å; D268-G272 VanDerWaalsContact O-N 3.12Å; G272-K274 PolarHBondContact O-N 3.12Å
273V62.5Low58.2Low133 Ų133146 Ų14681%0.80677%0.773SS**  trans-63.7126.2174.8-178.50000109.8F271 N275F271-V273 PolarHBondContact O-N 3.27Å; V273-N275 PolarHBondContact O-N 3.39Å; V273-N275 VanDerWaalsContact O-N 3.1Å
274K59Low57.6Low200 Ų200149.5 Ų149.587%0.8777%0.77SS**  trans-65107.9177.3-75.3-178.5178.4175.60110.6G272 K276G272-K274 PolarHBondContact O-N 3.12Å; K274-K276 PolarHBondContact O-N 3.04Å
275N51.2Low56.8Low157 Ų157149.8 Ų149.884%0.8477%0.774SS**  trans-67114.7168.4-79.2-20000110.2V273 K277V273-N275 PolarHBondContact O-N 3.39Å; V273-N275 VanDerWaalsContact O-N 3.1Å; N275-K277 PolarHBondContact O-N 3.12Å
276K47.9Very low56Low204 Ų204148.9 Ų148.989%0.88778%0.777SS**  trans-61.2118.1169.1-84.8179.3174.1175.90109.1K274 K278K274-K276 PolarHBondContact O-N 3.04Å; K276-K278 PolarHBondContact O-N 3.28Å
277K46.6Very low54.8Low202 Ų202154.1 Ų154.188%0.87880%0.797SS**  trans-57.1117.5166.2-94.5179.8172178.70108.8N275 I279N275-K277 PolarHBondContact O-N 3.12Å; K277-I279 PolarHBondContact O-N 3.19Å
278K46.9Very low54Low211 Ų211156.5 Ų156.592%0.91781%0.809SS**  trans-65.3115.3160.6-85.5-177.1174.7178.90107.5K276 G280K276-K278 PolarHBondContact O-N 3.28Å; K278-G280 PolarHBondContact O-N 3.32Å
279I43.8Very low53.4Low162 Ų162159.1 Ų159.183%0.83182%0.822SS**  trans-69.7112164.6-74.5155.8000106.6K277K277-I279 PolarHBondContact O-N 3.19Å
280G37.1Very low52.3Low73 Ų73164.2 Ų164.275%0.75384%0.841SS**  trans-74.5130167.200000109.5K278K278-G280 PolarHBondContact O-N 3.32Å
281K38.8Very low51.1Low198 Ų198164.8 Ų164.886%0.86185%0.854SS**  trans-78.8149.8169-100.6-179.2171-179.50110
282V38.3Very low48.9Very low219 Ų219164.7 Ų164.7100%1.32787%0.865SS**  trans80.90171.3-161.50000114.7

Retrieved 282 of 282 residues in 61.7 ms (Link to these results)

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