A0A5K4F727_SCHMA Loading...

Helicase ATP-binding domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F727, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 569 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
1M55.8Low87.6Confident190 Ų19084.2 Ų84.294%0.93644%0.439SS*.  0133.50-90169.5164.100107.4S3M1-S3 PolarHBondContact O-N 2.86Å
2Q65.6Low88.5Confident172 Ų17282.9 Ų82.980%0.80444%0.438SS*.  trans-68.6108.7171.5-117.8173.5-300107.5
3S80.9Confident89.1Confident53 Ų5376.5 Ų76.537%0.37140%0.404SS..PPolyproline II helixtrans-95.1134.5172.453.10000109.4M1 F15M1-S3 PolarHBondContact O-N 2.86Å; S3-F15 CarbonylContact C-O 3.48Å; S3-F15 WeakPolarHBondContact CA-O 3.45Å
4F93.3Very high89.7Confident91 Ų9171.4 Ų71.440%0.39938%0.378SS..EExtended strand (participates in β ladder)trans-91.4119.4171-78-96.5000108.9F15 K18F4-F15 PolarHBondContact N-O 3.49Å; F4-F15 PolarHBondContact O-N 3.32Å; F4-K18 HydrophobicContact CD1-CB 4.18Å; F4-K18 VanDerWaalsContact CD2-N 3.3Å; F4-K18 HydrophobicContact CE1-CB 4.1Å; F4-K18 HydrophobicContact CE2-CB 4.49Å; F4-K18 HydrophobicContact CG-CB 4.41Å; F4-K18 HydrophobicContact CZ-CB 4.25Å
5E95.1Very high90.1Very high118 Ų11866.8 Ų66.855%0.55135%0.353SS*.EExtended strand (participates in β ladder)trans-89.6131.4174.4-66.7-173.7170.300109.6T12 V13 K108E5-T12 HydrophobicContact CB-CG2 4.36Å; E5-V13 WeakPolarHBondContact CA-O 3.09Å; E5-K108 IonicContact OE1-NZ 3.78Å; E5-K108 PolarHBondContact OE1-NZ 3.3Å
6V95.3Very high90.4Very high30 Ų3064.6 Ų64.618%0.18234%0.344CS..EExtended strand (participates in β ladder)trans-133128.2179.3-174.90000108.5I8 V13 P19 M24V6-I8 HydrophobicContact CG1-CD1 4.43Å; V6-I8 HydrophobicContact CG1-CG1 4.05Å; V6-V13 PolarHBondContact N-O 3.16Å; V6-V13 PolarHBondContact O-N 3.39Å; V6-P19 HydrophobicContact CG2-CG 4.04Å; V6-M24 HydrophobicContact CG1-CE 3.57Å; V6-M24 HydrophobicContact CG1-SD 3.78Å; V6-M24 HydrophobicContact CG2-SD 4.49Å
7T96.4Very high90.5Very high99 Ų9964.7 Ų64.761%0.60734%0.342SS*.EExtended strand (participates in β ladder)trans-93121.2176.6-51.20000110V11T7-V11 CarbonylContact C-O 3.45Å; T7-V11 WeakPolarHBondContact CA-O 3.41Å
8I96.2Very high90.6Very high7 Ų769.9 Ų69.94%0.03636%0.361CS..EExtended strand (participates in β ladder)trans-125.5116.5180-61.2176.7000107.2V6 G10 V11 V13 M24 M27 T28 I31V6-I8 HydrophobicContact CG1-CD1 4.43Å; V6-I8 HydrophobicContact CG1-CG1 4.05Å; I8-G10 PolarHBondContact O-N 3.32Å; I8-G10 VanDerWaalsContact O-N 3.11Å; I8-V11 PolarHBondContact N-O 3.35Å; I8-V11 WeakPolarHBondContact O-CA 3.43Å; I8-V11 WeakPolarHBondContact O-CB 3.29Å; I8-V11 PolarHBondContact O-N 3.48Å; I8-V13 HydrophobicContact CD1-CG2 4.44Å; I8-M24 HydrophobicContact CD1-CE 3.97Å; I8-M24 HydrophobicContact CD1-SD 4.5Å; I8-M24 HydrophobicContact CG1-CE 4.11Å; I8-M27 HydrophobicContact CD1-CB 3.6Å; I8-M27 HydrophobicContact CD1-CE 4.22Å; I8-T28 HydrophobicContact CG2-CG2 4.24Å; I8-I31 HydrophobicContact CB-CD1 3.69Å; I8-I31 HydrophobicContact CD1-CD1 4.24Å; I8-I31 HydrophobicContact CG2-CB 4.28Å; I8-I31 HydrophobicContact CG2-CD1 3.72Å; I8-I31 HydrophobicContact CG2-CG2 4.48Å
9R94.6Very high90.6Very high117 Ų11767.2 Ų67.244%0.44235%0.348SS..THydrogen-bonded Turntrans51.235.1-177.7-55.9-1796298.63.1113.6V11 I31 E32 E35R9-V11 VanDerWaalsContact C-N 3.25Å; R9-V11 PolarHBondContact O-N 2.75Å; R9-I31 HydrophobicContact CB-CG2 4.06Å; R9-I31 HydrophobicContact CG-CG2 4.49Å; R9-E32 IonicContact NH1-OE1 2.82Å; R9-E35 WeakPolarHBondContact CB-OE2 3.39Å; R9-E35 IonicContact CZ-OE2 2.84Å; R9-E35 IonicContact NE-OE2 3.43Å; R9-E35 PolarHBondContact NE-OE2 3.23Å; R9-E35 IonicContact NH2-OE2 2.99Å
10G94.3Very high90.6Very high49 Ų4971.3 Ų71.351%0.50536%0.36SS..THydrogen-bonded Turntrans73.412.2-176.800000114.6I8 K64I8-G10 PolarHBondContact O-N 3.32Å; I8-G10 VanDerWaalsContact O-N 3.11Å; G10-K64 WeakPolarHBondContact O-CE 3.38Å; G10-K64 PolarHBondContact O-NZ 2.74Å; G10-K64 VanDerWaalsContact O-NZ 3.14Å
11V96.7Very high90.5Very high0 Ų070.6 Ų70.60%037%0.371CS..EExtended strand (participates in β ladder)trans-98.6124.5166.6-178.40000108.6T7 I8 R9 V13 I31 G60 W61 K64T7-V11 CarbonylContact C-O 3.45Å; T7-V11 WeakPolarHBondContact CA-O 3.41Å; I8-V11 PolarHBondContact N-O 3.35Å; I8-V11 WeakPolarHBondContact O-CA 3.43Å; I8-V11 WeakPolarHBondContact O-CB 3.29Å; I8-V11 PolarHBondContact O-N 3.48Å; R9-V11 VanDerWaalsContact C-N 3.25Å; R9-V11 PolarHBondContact O-N 2.75Å; V11-V13 HydrophobicContact CG1-CG2 4.17Å; V11-I31 HydrophobicContact CB-CD1 4.02Å; V11-I31 HydrophobicContact CB-CG2 4.25Å; V11-I31 HydrophobicContact CG1-CD1 4.12Å; V11-I31 HydrophobicContact CG2-CG2 3.66Å; V11-G60 VanDerWaalsContact CG1-C 3.5Å; V11-W61 HydrophobicContact CG1-CB 4.22Å; V11-K64 HydrophobicContact CB-CD 4.34Å; V11-K64 HydrophobicContact CG2-CD 3.72Å
12T97.3Very high92Very high69 Ų6963.3 Ų63.342%0.42334%0.338SS..EExtended strand (participates in β ladder)trans-81.8116.7173.6-560000109.4E5E5-T12 HydrophobicContact CB-CG2 4.36Å
13V97.4Very high93.3Very high0 Ų055.3 Ų55.30%030%0.301CS..EExtended strand (participates in β ladder)trans-109.3120.3179.2-179.40000110E5 V6 I8 V11 M27 I31 C56E5-V13 WeakPolarHBondContact CA-O 3.09Å; V6-V13 PolarHBondContact N-O 3.16Å; V6-V13 PolarHBondContact O-N 3.39Å; I8-V13 HydrophobicContact CD1-CG2 4.44Å; V11-V13 HydrophobicContact CG1-CG2 4.17Å; V13-M27 HydrophobicContact CG1-SD 3.78Å; V13-I31 HydrophobicContact CG2-CD1 3.55Å; V13-C56 HydrophobicContact CG1-CB 3.81Å; V13-C56 WeakPolarHBondContact CG1-O 3.31Å
14C97Very high93.9Very high5 Ų555.5 Ų55.53%0.03430%0.296CS..EExtended strand (participates in β ladder)trans-88.3109172.9-64.50000110.7K108 Y109C14-K108 HydrophobicContact CB-CB 4.01Å; C14-K108 HydrophobicContact CB-CD 3.87Å; C14-K108 WeakPolarHBondContact SG-CD 3.33Å; C14-Y109 HydrophobicContact CB-CE2 4.26Å; C14-Y109 PolarHBondContact N-OH 3.21Å; C14-Y109 VanDerWaalsContact O-CE2 3.25Å; C14-Y109 WeakPolarHBondContact O-CE2 3.44Å
15F96.2Very high93.9Very high2 Ų253.9 Ų53.91%0.00930%0.296CS..EExtended strand (participates in β ladder)trans-103.7145.2176.3-145.8-103.9000111.1S3 F4 H17 P19 Q23 M27 L52 C56S3-F15 CarbonylContact C-O 3.48Å; S3-F15 WeakPolarHBondContact CA-O 3.45Å; F4-F15 PolarHBondContact N-O 3.49Å; F4-F15 PolarHBondContact O-N 3.32Å; F15-H17 VanDerWaalsContact CD1-O 3.3Å; F15-H17 WeakPolarHBondContact CD1-O 3.3Å; F15-H17 AromaticContact CE1-CE1 3.51Å; F15-H17 AromaticContact CE1-ND1 3.98Å; F15-H17 AromaticContact CE1-NE2 3.63Å; F15-H17 PolarHBondContact O-N 2.66Å; F15-P19 HydrophobicContact CB-CG 3.84Å; F15-P19 HydrophobicContact CD1-CB 4.18Å; F15-P19 HydrophobicContact CD1-CG 3.8Å; F15-P19 HydrophobicContact CE1-CB 4.41Å; F15-P19 HydrophobicContact CG-CB 4.48Å; F15-P19 HydrophobicContact CG-CG 3.8Å; F15-Q23 HydrophobicContact CZ-CB 4.49Å; F15-M27 HydrophobicContact CD2-CE 4.13Å; F15-M27 HydrophobicContact CD2-SD 3.58Å; F15-M27 VanDerWaalsContact CD2-SD 3.58Å; F15-M27 HydrophobicContact CE2-CE 4.34Å; F15-M27 HydrophobicContact CE2-SD 3.71Å; F15-L52 HydrophobicContact CD1-CD2 4.41Å; F15-L52 HydrophobicContact CE1-CD2 3.58Å; F15-L52 HydrophobicContact CE1-CG 4.17Å; F15-L52 HydrophobicContact CE2-CB 4.48Å; F15-L52 HydrophobicContact CE2-CD2 4.18Å; F15-L52 HydrophobicContact CE2-CG 3.85Å; F15-L52 HydrophobicContact CZ-CB 4.11Å; F15-L52 HydrophobicContact CZ-CD2 3.45Å; F15-L52 VanDerWaalsContact CZ-CD2 3.45Å; F15-L52 HydrophobicContact CZ-CG 3.56Å; F15-C56 HydrophobicContact CD2-CB 3.64Å; F15-C56 HydrophobicContact CE2-CB 3.93Å
16P94.4Very high93.9Very high32 Ų3248.3 Ų48.321%0.20827%0.27CS..SBendtrans-74.2-9.1-17630-38.3000115L52 K106P16-L52 HydrophobicContact CG-CD1 3.96Å; P16-L52 HydrophobicContact CG-CD2 3.54Å; P16-L52 HydrophobicContact CG-CG 4.17Å; P16-K106 WeakPolarHBondContact CB-O 3.49Å
17H91.8Very high93.9Very high66 Ų6646.9 Ų46.931%0.30626%0.262SS..SBendtrans-149.7175.2173.458.780.2000109.3F15 P19 Q23F15-H17 VanDerWaalsContact CD1-O 3.3Å; F15-H17 WeakPolarHBondContact CD1-O 3.3Å; F15-H17 AromaticContact CE1-CE1 3.51Å; F15-H17 AromaticContact CE1-ND1 3.98Å; F15-H17 AromaticContact CE1-NE2 3.63Å; F15-H17 PolarHBondContact O-N 2.66Å; H17-P19 VanDerWaalsContact O-CD 3.22Å; H17-P19 WeakPolarHBondContact O-CD 3.42Å; H17-Q23 PolarHBondContact CE1-OE1 3.18Å
18K92.2Very high94Very high158 Ų15844.4 Ų44.469%0.68725%0.247SC*.PPolyproline II helixtrans-61.8119.9172.7-172.8174.3-178.2177.30108.8F4F4-K18 HydrophobicContact CD1-CB 4.18Å; F4-K18 VanDerWaalsContact CD2-N 3.3Å; F4-K18 HydrophobicContact CE1-CB 4.1Å; F4-K18 HydrophobicContact CE2-CB 4.49Å; F4-K18 HydrophobicContact CG-CB 4.41Å; F4-K18 HydrophobicContact CZ-CB 4.25Å
19P91.6Very high94Very high18 Ų1848.3 Ų48.312%0.11726%0.261CS..PPolyproline II helixtrans-67.9142-176.6-19.431.6000111.7V6 F15 H17 Q23 M24 M27V6-P19 HydrophobicContact CG2-CG 4.04Å; F15-P19 HydrophobicContact CB-CG 3.84Å; F15-P19 HydrophobicContact CD1-CB 4.18Å; F15-P19 HydrophobicContact CD1-CG 3.8Å; F15-P19 HydrophobicContact CE1-CB 4.41Å; F15-P19 HydrophobicContact CG-CB 4.48Å; F15-P19 HydrophobicContact CG-CG 3.8Å; H17-P19 VanDerWaalsContact O-CD 3.22Å; H17-P19 WeakPolarHBondContact O-CD 3.42Å; P19-Q23 HydrophobicContact CB-CB 4.12Å; P19-M24 HydrophobicContact CB-CG 3.94Å; P19-M24 HydrophobicContact CB-SD 3.84Å; P19-M24 HydrophobicContact CG-SD 4.01Å; P19-M27 HydrophobicContact CB-CE 3.75Å; P19-M27 HydrophobicContact CG-CE 3.79Å
20Y89.2Confident94.2Very high150 Ų15042.8 Ų42.859%0.58824%0.24SC*.PPolyproline II helixtrans-71.4161.6169.7-58-58.8000111.1C22 Q23 M24Y20-C22 VanDerWaalsContact C-N 3.28Å; Y20-C22 PolarHBondContact O-N 3.01Å; Y20-Q23 HydrophobicContact CD2-CG 4.4Å; Y20-Q23 WeakPolarHBondContact O-CB 3.48Å; Y20-Q23 PolarHBondContact O-N 3.48Å; Y20-M24 PolarHBondContact O-N 3.01Å
21G88.7Confident94.3Very high56 Ų5640.4 Ų40.458%0.57722%0.216SC*.Hα-helixtrans-54.9-41.217900000113.4Q23 M24 S25G21-Q23 PolarHBondContact O-N 3.04Å; G21-M24 WeakPolarHBondContact O-CB 3.49Å; G21-M24 PolarHBondContact O-N 3.36Å; G21-S25 PolarHBondContact O-N 3.41Å; G21-S25 PolarHBondContact O-OG 2.95Å; G21-S25 VanDerWaalsContact O-OG 3.13Å
22C88.5Confident94.4Very high38 Ų3842.2 Ų42.226%0.25722%0.224SC..Hα-helixtrans-65.3-37.9176.1570000113.1Y20 S25 M26 A494Y20-C22 VanDerWaalsContact C-N 3.28Å; Y20-C22 PolarHBondContact O-N 3.01Å; C22-S25 PolarHBondContact O-N 2.9Å; C22-M26 WeakPolarHBondContact O-CB 3.22Å; C22-M26 PolarHBondContact O-N 2.76Å; C22-A494 HydrophobicContact CB-CB 4.43Å
23Q92.2Very high94.4Very high4 Ų438.9 Ų38.92%0.01920%0.204CC..Hα-helixtrans-66.6-42.9176.1-63.9174.8-28.100110.5F15 H17 P19 Y20 G21 M26 M27 T48F15-Q23 HydrophobicContact CZ-CB 4.49Å; H17-Q23 PolarHBondContact CE1-OE1 3.18Å; P19-Q23 HydrophobicContact CB-CB 4.12Å; Y20-Q23 HydrophobicContact CD2-CG 4.4Å; Y20-Q23 WeakPolarHBondContact O-CB 3.48Å; Y20-Q23 PolarHBondContact O-N 3.48Å; G21-Q23 PolarHBondContact O-N 3.04Å; Q23-M26 PolarHBondContact O-N 3.14Å; Q23-M27 WeakPolarHBondContact O-CB 3.46Å; Q23-M27 VanDerWaalsContact O-CG 3.29Å; Q23-M27 WeakPolarHBondContact O-CG 3.49Å; Q23-M27 PolarHBondContact O-N 3.43Å; Q23-T48 VanDerWaalsContact CG-O 3.26Å; Q23-T48 WeakPolarHBondContact CG-O 3.42Å; Q23-T48 PolarHBondContact NE2-O 3.42Å
24M93.3Very high94.4Very high56 Ų5638.9 Ų38.928%0.27620%0.204SC..Hα-helixtrans-58.3-47.6173.9-76.1-58.7-56.200112.5V6 I8 P19 Y20 G21 M26 M27 T28V6-M24 HydrophobicContact CG1-CE 3.57Å; V6-M24 HydrophobicContact CG1-SD 3.78Å; V6-M24 HydrophobicContact CG2-SD 4.49Å; I8-M24 HydrophobicContact CD1-CE 3.97Å; I8-M24 HydrophobicContact CD1-SD 4.5Å; I8-M24 HydrophobicContact CG1-CE 4.11Å; P19-M24 HydrophobicContact CB-CG 3.94Å; P19-M24 HydrophobicContact CB-SD 3.84Å; P19-M24 HydrophobicContact CG-SD 4.01Å; Y20-M24 PolarHBondContact O-N 3.01Å; G21-M24 WeakPolarHBondContact O-CB 3.49Å; G21-M24 PolarHBondContact O-N 3.36Å; M24-M26 VanDerWaalsContact C-N 3.33Å; M24-M26 PolarHBondContact O-N 3.33Å; M24-M27 PolarHBondContact O-N 3.09Å; M24-M27 HydrophobicContact SD-CE 3.7Å; M24-T28 WeakPolarHBondContact O-CB 3.39Å; M24-T28 PolarHBondContact O-N 3.41Å; M24-T28 PolarHBondContact O-OG1 2.96Å
25S93.4Very high94.4Very high57 Ų5741.8 Ų41.840%0.39922%0.217SC..Hα-helixtrans-61.4-42.1177.2-60.70000111.9G21 C22 T28 R29G21-S25 PolarHBondContact O-N 3.41Å; G21-S25 PolarHBondContact O-OG 2.95Å; G21-S25 VanDerWaalsContact O-OG 3.13Å; C22-S25 PolarHBondContact O-N 2.9Å; S25-T28 PolarHBondContact O-N 2.74Å; S25-R29 PolarHBondContact O-N 3.33Å; S25-R29 VanDerWaalsContact O-N 3.08Å
26M94.6Very high94.3Very high2 Ų245.1 Ų45.11%0.0124%0.235CC..Hα-helixtrans-64.6-49.8178.2-167.4179.6-57.500111.6C22 Q23 M24 T28 R29 V30 L42 S44 K50 L492C22-M26 WeakPolarHBondContact O-CB 3.22Å; C22-M26 PolarHBondContact O-N 2.76Å; Q23-M26 PolarHBondContact O-N 3.14Å; M24-M26 VanDerWaalsContact C-N 3.33Å; M24-M26 PolarHBondContact O-N 3.33Å; M26-T28 VanDerWaalsContact C-N 3.25Å; M26-T28 PolarHBondContact O-N 2.95Å; M26-R29 PolarHBondContact O-N 3.45Å; M26-V30 WeakPolarHBondContact O-CG2 3.49Å; M26-V30 PolarHBondContact O-N 2.91Å; M26-L42 HydrophobicContact CG-CD1 3.94Å; M26-S44 WeakPolarHBondContact CE-OG 3.48Å; M26-K50 HydrophobicContact CE-CB 4.31Å; M26-K50 HydrophobicContact CE-CG 4.26Å; M26-K50 HydrophobicContact SD-CB 4.29Å; M26-L492 HydrophobicContact CB-CD2 4.11Å
27M96.5Very high94.4Very high0 Ų049.3 Ų49.30%025%0.25CC..Hα-helixtrans-60-37.3177.3-68.2-170.4-67.500112I8 V13 F15 P19 Q23 M24 V30 I31 C56 A57I8-M27 HydrophobicContact CD1-CB 3.6Å; I8-M27 HydrophobicContact CD1-CE 4.22Å; V13-M27 HydrophobicContact CG1-SD 3.78Å; F15-M27 HydrophobicContact CD2-CE 4.13Å; F15-M27 HydrophobicContact CD2-SD 3.58Å; F15-M27 VanDerWaalsContact CD2-SD 3.58Å; F15-M27 HydrophobicContact CE2-CE 4.34Å; F15-M27 HydrophobicContact CE2-SD 3.71Å; P19-M27 HydrophobicContact CB-CE 3.75Å; P19-M27 HydrophobicContact CG-CE 3.79Å; Q23-M27 WeakPolarHBondContact O-CB 3.46Å; Q23-M27 VanDerWaalsContact O-CG 3.29Å; Q23-M27 WeakPolarHBondContact O-CG 3.49Å; Q23-M27 PolarHBondContact O-N 3.43Å; M24-M27 PolarHBondContact O-N 3.09Å; M24-M27 HydrophobicContact SD-CE 3.7Å; M27-V30 PolarHBondContact O-N 3.41Å; M27-I31 WeakPolarHBondContact O-CG1 3.38Å; M27-I31 PolarHBondContact O-N 2.95Å; M27-C56 HydrophobicContact SD-CB 4.46Å; M27-A57 HydrophobicContact CB-CB 3.92Å; M27-A57 HydrophobicContact CG-CB 3.93Å
28T97.1Very high94.7Very high47 Ų4749.4 Ų49.429%0.28825%0.25SS..Hα-helixtrans-61.8-46.4175.6-56.90000111.9I8 M24 S25 M26 I31 E32I8-T28 HydrophobicContact CG2-CG2 4.24Å; M24-T28 WeakPolarHBondContact O-CB 3.39Å; M24-T28 PolarHBondContact O-N 3.41Å; M24-T28 PolarHBondContact O-OG1 2.96Å; S25-T28 PolarHBondContact O-N 2.74Å; M26-T28 VanDerWaalsContact C-N 3.25Å; M26-T28 PolarHBondContact O-N 2.95Å; T28-I31 PolarHBondContact O-N 3.19Å; T28-E32 VanDerWaalsContact O-CB 3.29Å; T28-E32 WeakPolarHBondContact O-CB 3.5Å; T28-E32 PolarHBondContact O-N 3.04Å
29R97.3Very high95Very high89 Ų8943.2 Ų43.234%0.33623%0.225SC..Hα-helixtrans-68.3-38.5178.6-73.8-73.5144.886.45.8112.8S25 M26 E32 S33 L42 R491 L492S25-R29 PolarHBondContact O-N 3.33Å; S25-R29 VanDerWaalsContact O-N 3.08Å; M26-R29 PolarHBondContact O-N 3.45Å; R29-E32 IonicContact NE-OE2 3.61Å; R29-E32 PolarHBondContact NE-OE2 2.99Å; R29-E32 VanDerWaalsContact NE-OE2 3.13Å; R29-E32 PolarHBondContact O-N 3.06Å; R29-S33 WeakPolarHBondContact O-CB 3.39Å; R29-S33 PolarHBondContact O-N 3.28Å; R29-L42 HydrophobicContact CB-CD2 3.84Å; R29-R491 PolarHBondContact NH1-O 2.93Å; R29-L492 HydrophobicContact CG-CB 4.25Å
30V97.9Very high95.2Very high0 Ų042.4 Ų42.40%022%0.219CC..Hα-helixtrans-59.4-51.8172.9170.50000110.1M26 M27 E32 S33 L34 L42 L54 A57 I468M26-V30 WeakPolarHBondContact O-CG2 3.49Å; M26-V30 PolarHBondContact O-N 2.91Å; M27-V30 PolarHBondContact O-N 3.41Å; V30-E32 PolarHBondContact O-N 3.09Å; V30-S33 WeakPolarHBondContact O-CB 3.5Å; V30-S33 PolarHBondContact O-N 3.12Å; V30-S33 PolarHBondContact O-OG 2.95Å; V30-L34 HydrophobicContact CG1-CD1 3.83Å; V30-L34 HydrophobicContact CG1-CG 4.45Å; V30-L34 VanDerWaalsContact O-CG 3.24Å; V30-L34 WeakPolarHBondContact O-CG 3.46Å; V30-L34 PolarHBondContact O-N 3.34Å; V30-L42 HydrophobicContact CG2-CD1 3.57Å; V30-L54 HydrophobicContact CG2-CD2 3.8Å; V30-A57 HydrophobicContact CB-CB 3.9Å; V30-A57 HydrophobicContact CG1-CB 3.63Å; V30-I468 HydrophobicContact CB-CD1 4.47Å; V30-I468 HydrophobicContact CG1-CD1 3.89Å; V30-I468 HydrophobicContact CG2-CD1 4.4Å
31I98.2Very high95.6Very high0 Ų035.2 Ų35.20%019%0.191CC..Hα-helixtrans-63.5-42.2-179.1-72.8164.4000111.8I8 R9 V11 V13 M27 T28 S33 L34 E35 A57I8-I31 HydrophobicContact CB-CD1 3.69Å; I8-I31 HydrophobicContact CD1-CD1 4.24Å; I8-I31 HydrophobicContact CG2-CB 4.28Å; I8-I31 HydrophobicContact CG2-CD1 3.72Å; I8-I31 HydrophobicContact CG2-CG2 4.48Å; R9-I31 HydrophobicContact CB-CG2 4.06Å; R9-I31 HydrophobicContact CG-CG2 4.49Å; V11-I31 HydrophobicContact CB-CD1 4.02Å; V11-I31 HydrophobicContact CB-CG2 4.25Å; V11-I31 HydrophobicContact CG1-CD1 4.12Å; V11-I31 HydrophobicContact CG2-CG2 3.66Å; V13-I31 HydrophobicContact CG2-CD1 3.55Å; M27-I31 WeakPolarHBondContact O-CG1 3.38Å; M27-I31 PolarHBondContact O-N 2.95Å; T28-I31 PolarHBondContact O-N 3.19Å; I31-S33 VanDerWaalsContact C-N 3.29Å; I31-S33 PolarHBondContact O-N 2.82Å; I31-L34 PolarHBondContact O-N 3.05Å; I31-E35 HydrophobicContact CG2-CG 4.26Å; I31-E35 WeakPolarHBondContact O-CG 3.42Å; I31-E35 PolarHBondContact O-N 3.31Å; I31-A57 HydrophobicContact CD1-CB 4.32Å; I31-A57 HydrophobicContact CG1-CB 4.17Å
32E98Very high95.9Very high37 Ų3732.6 Ų32.617%0.17316%0.164CC..Hα-helixtrans-58.1-41.4174.9-176169.9-147.900112.1R9 T28 R29 V30 L34 E35 N36 L490R9-E32 IonicContact NH1-OE1 2.82Å; T28-E32 VanDerWaalsContact O-CB 3.29Å; T28-E32 WeakPolarHBondContact O-CB 3.5Å; T28-E32 PolarHBondContact O-N 3.04Å; R29-E32 IonicContact NE-OE2 3.61Å; R29-E32 PolarHBondContact NE-OE2 2.99Å; R29-E32 VanDerWaalsContact NE-OE2 3.13Å; R29-E32 PolarHBondContact O-N 3.06Å; V30-E32 PolarHBondContact O-N 3.09Å; E32-L34 VanDerWaalsContact C-N 3.34Å; E32-L34 PolarHBondContact O-N 3.24Å; E32-E35 PolarHBondContact O-N 2.88Å; E32-N36 VanDerWaalsContact O-CB 3.32Å; E32-N36 WeakPolarHBondContact O-CB 3.4Å; E32-N36 PolarHBondContact O-N 3.37Å; E32-L490 HydrophobicContact CB-CD1 4.21Å; E32-L490 HydrophobicContact CG-CD1 3.89Å; E32-L490 HydrophobicContact CG-CD2 3.89Å
33S97.6Very high96.2Very high0 Ų032.6 Ų32.60%016%0.16CC..Hα-helixtrans-63.6-39.8177.278.50000112.8R29 V30 I31 K37 Q38 I468 L490R29-S33 WeakPolarHBondContact O-CB 3.39Å; R29-S33 PolarHBondContact O-N 3.28Å; V30-S33 WeakPolarHBondContact O-CB 3.5Å; V30-S33 PolarHBondContact O-N 3.12Å; V30-S33 PolarHBondContact O-OG 2.95Å; I31-S33 VanDerWaalsContact C-N 3.29Å; I31-S33 PolarHBondContact O-N 2.82Å; S33-K37 PolarHBondContact O-N 3.36Å; S33-Q38 VanDerWaalsContact CB-O 3.26Å; S33-Q38 WeakPolarHBondContact CB-O 3.46Å; S33-Q38 PolarHBondContact O-N 2.81Å; S33-I468 WeakPolarHBondContact OG-CD1 3.44Å; S33-L490 VanDerWaalsContact N-CD1 3.35Å
34L97.3Very high96.1Very high0 Ų032.4 Ų32.40%016%0.159CC..Hα-helixtrans-72.2-41179.5-63.8169.2000112.2V30 I31 E32 W61 I226 H465 I468V30-L34 HydrophobicContact CG1-CD1 3.83Å; V30-L34 HydrophobicContact CG1-CG 4.45Å; V30-L34 VanDerWaalsContact O-CG 3.24Å; V30-L34 WeakPolarHBondContact O-CG 3.46Å; V30-L34 PolarHBondContact O-N 3.34Å; I31-L34 PolarHBondContact O-N 3.05Å; E32-L34 VanDerWaalsContact C-N 3.34Å; E32-L34 PolarHBondContact O-N 3.24Å; L34-W61 HydrophobicContact CB-CD2 3.78Å; L34-W61 HydrophobicContact CB-CE3 4.43Å; L34-W61 HydrophobicContact CB-CG 3.89Å; L34-W61 HydrophobicContact CB-CZ2 4.16Å; L34-W61 HydrophobicContact CD1-CB 3.77Å; L34-W61 HydrophobicContact CD1-CD2 4.03Å; L34-W61 HydrophobicContact CD1-CE3 4.34Å; L34-W61 HydrophobicContact CD1-CG 3.77Å; L34-W61 HydrophobicContact CG-CD2 4.39Å; L34-W61 HydrophobicContact CG-CG 4.45Å; L34-I226 HydrophobicContact CD2-CB 4.3Å; L34-I226 HydrophobicContact CD2-CD1 3.52Å; L34-I226 HydrophobicContact CD2-CG1 3.61Å; L34-I226 HydrophobicContact CD2-CG2 3.67Å; L34-H465 PolarHBondContact O-NE2 3.14Å; L34-I468 HydrophobicContact CD2-CD1 4.43Å
35E95.5Very high95.6Very high65 Ų6530.4 Ų30.430%0.30415%0.151SC..Hα-helixtrans-69.6-39.8177.9-70.7-172.9143.400112.2R9 I31 E32 K64R9-E35 WeakPolarHBondContact CB-OE2 3.39Å; R9-E35 IonicContact CZ-OE2 2.84Å; R9-E35 IonicContact NE-OE2 3.43Å; R9-E35 PolarHBondContact NE-OE2 3.23Å; R9-E35 IonicContact NH2-OE2 2.99Å; I31-E35 HydrophobicContact CG2-CG 4.26Å; I31-E35 WeakPolarHBondContact O-CG 3.42Å; I31-E35 PolarHBondContact O-N 3.31Å; E32-E35 PolarHBondContact O-N 2.88Å; E35-K64 IonicContact OE1-NZ 3.89Å
36N95.9Very high95.1Very high73 Ų7333 Ų3339%0.3916%0.164SC..Hα-helixtrans-89.3-2.9-174.2-64.5-12.2000114.4E32 Q38E32-N36 VanDerWaalsContact O-CB 3.32Å; E32-N36 WeakPolarHBondContact O-CB 3.4Å; E32-N36 PolarHBondContact O-N 3.37Å; N36-Q38 VanDerWaalsContact C-N 3.32Å; N36-Q38 HydrophobicContact CB-CB 4.26Å; N36-Q38 HydrophobicContact CB-CG 3.87Å; N36-Q38 PolarHBondContact ND2-OE1 3.03Å; N36-Q38 PolarHBondContact O-N 3.16Å
37K95.9Very high94.3Very high120 Ų12036.9 Ų36.952%0.52221%0.205SC..THydrogen-bonded Turntrans54.346.5-169.6-60.8-163.6169.9-154.10112.5S33 D224 H465S33-K37 PolarHBondContact O-N 3.36Å; K37-D224 IonicContact NZ-OD1 3.77Å; K37-D224 PolarHBondContact NZ-OD1 3.35Å; K37-H465 CarbonylContact C-O 3.54Å; K37-H465 WeakPolarHBondContact CA-O 3.42Å; K37-H465 WeakPolarHBondContact CE-ND1 3.17Å; K37-H465 VanDerWaalsContact CG-CE1 3.43Å; K37-H465 WeakPolarHBondContact CG-CE1 3.31Å
38Q97.3Very high93.6Very high68 Ų6837.3 Ų37.332%0.31821%0.207SC..  trans-119.5139.4-175.5-76.6-179.5-39.800110.8S33 N36 C466 P489 L490S33-Q38 VanDerWaalsContact CB-O 3.26Å; S33-Q38 WeakPolarHBondContact CB-O 3.46Å; S33-Q38 PolarHBondContact O-N 2.81Å; N36-Q38 VanDerWaalsContact C-N 3.32Å; N36-Q38 HydrophobicContact CB-CB 4.26Å; N36-Q38 HydrophobicContact CB-CG 3.87Å; N36-Q38 PolarHBondContact ND2-OE1 3.03Å; N36-Q38 PolarHBondContact O-N 3.16Å; Q38-C466 WeakPolarHBondContact O-CB 3.46Å; Q38-P489 HydrophobicContact CB-CG 3.92Å; Q38-P489 HydrophobicContact CG-CG 4.02Å; Q38-L490 HydrophobicContact CB-CD1 4.03Å; Q38-L490 HydrophobicContact CB-CG 4.44Å
39N98.1Very high93.1Very high28 Ų2836.3 Ų36.315%0.1521%0.206CC..  trans-68.5148.2174.1-56.7-40.3000110.7V467 V486 Q487 F488 P489N39-V467 CarbonylContact C-O 3.55Å; N39-V467 VanDerWaalsContact CA-O 3.26Å; N39-V467 WeakPolarHBondContact CA-O 3.23Å; N39-V467 WeakPolarHBondContact CB-O 3.39Å; N39-V467 PolarHBondContact OD1-N 3.49Å; N39-V486 VanDerWaalsContact ND2-CG1 3.3Å; N39-V486 WeakPolarHBondContact ND2-CG1 3.47Å; N39-Q487 WeakPolarHBondContact CB-O 3.42Å; N39-Q487 PolarHBondContact ND2-O 3.47Å; N39-F488 HydrophobicContact CB-CD1 3.52Å; N39-F488 HydrophobicContact CB-CE1 3.74Å; N39-F488 HydrophobicContact CB-CG 4.3Å; N39-P489 WeakPolarHBondContact O-CD 3.32Å
40C97.8Very high92.8Very high0 Ų032.6 Ų32.60%019%0.193CC..EExtended strand (participates in β ladder)trans-132.7138-176.7-170.50000112.5L42 V467 I468 L469 L490C40-L42 WeakPolarHBondContact SG-CD2 3.05Å; C40-V467 PolarHBondContact N-O 2.94Å; C40-I468 HydrophobicContact CB-CG1 4.3Å; C40-I468 HydrophobicContact CB-CG2 4.44Å; C40-I468 CarbonylContact O-C 3.47Å; C40-I468 WeakPolarHBondContact O-CA 3.42Å; C40-L469 PolarHBondContact O-N 2.93Å; C40-L490 CarbonylContact C-O 3.5Å; C40-L490 VanDerWaalsContact CA-O 3.27Å; C40-L490 WeakPolarHBondContact CA-O 3.46Å; C40-L490 HydrophobicContact CB-CB 4.06Å; C40-L490 PolarHBondContact SG-O 3.48Å; C40-L490 VanDerWaalsContact SG-O 3.35Å
41L96.8Very high92.7Very high0 Ų034 Ų340%020%0.201CC..EExtended strand (participates in β ladder)trans-115.9119.7176.1-159.9165.5000109.4L474 L477 L480 F488 L490 R491 L492L41-L474 HydrophobicContact CD2-CB 3.97Å; L41-L474 HydrophobicContact CD2-CD1 3.32Å; L41-L474 HydrophobicContact CD2-CG 4.24Å; L41-L474 HydrophobicContact CG-CD1 3.88Å; L41-L477 HydrophobicContact CD1-CB 4.19Å; L41-L477 HydrophobicContact CD1-CD2 4Å; L41-L477 HydrophobicContact CD1-CG 4.48Å; L41-L477 HydrophobicContact CD2-CD1 3.74Å; L41-L477 HydrophobicContact CD2-CD2 3.2Å; L41-L477 HydrophobicContact CD2-CG 4Å; L41-L477 HydrophobicContact CG-CD2 4.24Å; L41-L480 HydrophobicContact CD1-CD2 4.12Å; L41-F488 HydrophobicContact CB-CB 3.96Å; L41-F488 HydrophobicContact CB-CD1 4.16Å; L41-F488 HydrophobicContact CB-CG 4.11Å; L41-F488 HydrophobicContact CD1-CD2 4.44Å; L41-F488 HydrophobicContact CD1-CG 4.41Å; L41-L490 PolarHBondContact N-O 3.05Å; L41-R491 HydrophobicContact CB-CG 4.4Å; L41-R491 CarbonylContact O-C 3.51Å; L41-R491 WeakPolarHBondContact O-CA 3.41Å; L41-L492 PolarHBondContact O-N 3.35Å
42L95.5Very high92.5Very high0 Ų034.4 Ų34.40%020%0.203CC..EExtended strand (participates in β ladder)trans-122.1105-175.7-57.1173.5000110.7M26 R29 V30 C40 L54 I468 L469 M470 S471 L474 L492M26-L42 HydrophobicContact CG-CD1 3.94Å; R29-L42 HydrophobicContact CB-CD2 3.84Å; V30-L42 HydrophobicContact CG2-CD1 3.57Å; C40-L42 WeakPolarHBondContact SG-CD2 3.05Å; L42-L54 HydrophobicContact CD1-CD2 3.93Å; L42-I468 HydrophobicContact CD1-CG2 3.66Å; L42-I468 HydrophobicContact CG-CG2 4.35Å; L42-L469 PolarHBondContact N-O 2.89Å; L42-M470 HydrophobicContact CB-CB 4.3Å; L42-M470 HydrophobicContact CB-CG 4.05Å; L42-M470 VanDerWaalsContact O-CA 3.31Å; L42-M470 WeakPolarHBondContact O-CA 3.49Å; L42-S471 PolarHBondContact O-N 3.12Å; L42-L474 WeakPolarHBondContact O-CD1 3.39Å; L42-L492 HydrophobicContact CD2-CB 3.72Å; L42-L492 HydrophobicContact CD2-CD2 4.2Å
43E93.6Very high92.4Very high38 Ų3832.7 Ų32.718%0.17820%0.195CC..EExtended strand (participates in β ladder)trans-94.4126.3166.9-174.1169.9139.900110.3S471 L474 S475 L492 E493 A494E43-S471 WeakPolarHBondContact CA-O 3.38Å; E43-L474 HydrophobicContact CB-CB 4.49Å; E43-L474 PolarHBondContact OE2-N 2.9Å; E43-L474 VanDerWaalsContact OE2-N 3.16Å; E43-S475 WeakPolarHBondContact OE2-CA 3.37Å; E43-S475 WeakPolarHBondContact OE2-CB 3.49Å; E43-S475 PolarHBondContact OE2-N 3.08Å; E43-S475 PolarHBondContact OE2-OG 2.82Å; E43-L492 PolarHBondContact N-O 3.02Å; E43-E493 HydrophobicContact CB-CG 4.21Å; E43-A494 PolarHBondContact O-N 2.97Å
44S89.9Confident92.4Very high0 Ų032.7 Ų32.70%020%0.195CC..  trans-147.7132.8173.9-169.70000112.4M26 T48 K50 S471 G472M26-S44 WeakPolarHBondContact CE-OG 3.48Å; S44-T48 PolarHBondContact OG-OG1 3.45Å; S44-K50 WeakPolarHBondContact O-CD 3.35Å; S44-S471 PolarHBondContact N-O 3.31Å; S44-G472 WeakPolarHBondContact O-CA 3.33Å
45P83.7Confident92.4Very high15 Ų1532.7 Ų32.710%0.09720%0.195CC..  trans-53.1151.6179.8-21.625.4000113.1G47 T48 K50 A494P45-G47 PolarHBondContact O-N 3.37Å; P45-T48 HydrophobicContact CB-CG2 4.24Å; P45-T48 HydrophobicContact CG-CG2 4.46Å; P45-T48 WeakPolarHBondContact O-CG2 3.39Å; P45-T48 PolarHBondContact O-N 3.2Å; P45-T48 PolarHBondContact O-OG1 3.01Å; P45-K50 WeakPolarHBondContact O-CD 3.36Å; P45-A494 WeakPolarHBondContact CD-O 3.49Å
46T82.5Confident92.5Very high112 Ų11229.6 Ų29.669%0.68718%0.181SC*.THydrogen-bonded Turntrans-55.6140.5173.351.60000111.6
47G78.6Confident92.6Very high83 Ų8326.1 Ų26.186%0.85616%0.162SC*.THydrogen-bonded Turntrans88.50.3176.900000115.8P45 G49P45-G47 PolarHBondContact O-N 3.37Å; G47-G49 VanDerWaalsContact C-N 3.31Å; G47-G49 PolarHBondContact O-N 3.17Å
48T81.2Confident92.7Very high8 Ų820.4 Ų20.45%0.04914%0.137CC..SBendtrans-80.9-3.6178.256.60000114.7Q23 S44 P45 K50 V497Q23-T48 VanDerWaalsContact CG-O 3.26Å; Q23-T48 WeakPolarHBondContact CG-O 3.42Å; Q23-T48 PolarHBondContact NE2-O 3.42Å; S44-T48 PolarHBondContact OG-OG1 3.45Å; P45-T48 HydrophobicContact CB-CG2 4.24Å; P45-T48 HydrophobicContact CG-CG2 4.46Å; P45-T48 WeakPolarHBondContact O-CG2 3.39Å; P45-T48 PolarHBondContact O-N 3.2Å; P45-T48 PolarHBondContact O-OG1 3.01Å; T48-K50 WeakPolarHBondContact OG1-CG 3.47Å; T48-V497 HydrophobicContact CG2-CG2 3.55Å
49G86.7Confident92.8Very high26 Ų2617.2 Ų17.227%0.26812%0.122SC..  trans80.441.4-176.900000113.7G47 L52 S53G47-G49 VanDerWaalsContact C-N 3.31Å; G47-G49 PolarHBondContact O-N 3.17Å; G49-L52 PolarHBondContact O-N 2.63Å; G49-S53 PolarHBondContact O-N 3.38Å; G49-S53 PolarHBondContact O-OG 3.11Å
50K91.7Very high92.7Very high12 Ų1216 Ų165%0.05212%0.116CC..Hα-helixtrans-62.2-56.6-174.6-46.2169.9-35.5-175.70112M26 S44 P45 T48 L52 S53 L54 E231 M470M26-K50 HydrophobicContact CE-CB 4.31Å; M26-K50 HydrophobicContact CE-CG 4.26Å; M26-K50 HydrophobicContact SD-CB 4.29Å; S44-K50 WeakPolarHBondContact O-CD 3.35Å; P45-K50 WeakPolarHBondContact O-CD 3.36Å; T48-K50 WeakPolarHBondContact OG1-CG 3.47Å; K50-L52 VanDerWaalsContact C-N 3.28Å; K50-L52 PolarHBondContact O-N 2.77Å; K50-S53 WeakPolarHBondContact O-CB 3.49Å; K50-S53 PolarHBondContact O-N 3.47Å; K50-L54 PolarHBondContact O-N 2.92Å; K50-E231 WeakPolarHBondContact CE-OE1 3.49Å; K50-E231 IonicContact NZ-OE1 2.67Å; K50-E231 PolarHBondContact NZ-OE1 3.47Å; K50-M470 HydrophobicContact CB-CE 3.5Å; K50-M470 VanDerWaalsContact CB-CE 3.5Å; K50-M470 HydrophobicContact CB-SD 3.53Å; K50-M470 VanDerWaalsContact CB-SD 3.53Å; K50-M470 HydrophobicContact CD-CE 3.16Å; K50-M470 HydrophobicContact CD-SD 4.21Å; K50-M470 HydrophobicContact CG-CE 3.62Å; K50-M470 HydrophobicContact CG-SD 4.32Å
51T95Very high92.7Very high29 Ų2916.7 Ų16.718%0.17812%0.119CC..Hα-helixtrans-53.1-44.9175.6-53.60000111.9S53 L54 L55 V100 E103 D230T51-S53 PolarHBondContact O-N 3.01Å; T51-L54 PolarHBondContact O-N 3.2Å; T51-L55 HydrophobicContact CG2-CD1 4.12Å; T51-L55 WeakPolarHBondContact O-CB 3.38Å; T51-L55 WeakPolarHBondContact O-CG 3.35Å; T51-L55 PolarHBondContact O-N 2.98Å; T51-V100 HydrophobicContact CG2-CB 4.12Å; T51-V100 HydrophobicContact CG2-CG1 3.88Å; T51-V100 HydrophobicContact CG2-CG2 3.84Å; T51-E103 HydrophobicContact CG2-CB 4.15Å; T51-E103 HydrophobicContact CG2-CG 4.21Å; T51-D230 PolarHBondContact OG1-OD2 2.72Å
52L95.1Very high92.7Very high9 Ų916.9 Ų16.95%0.04712%0.12CC..Hα-helixtrans-66.1-38.7179.4-169.567000112.2F15 P16 G49 K50 C56 T107F15-L52 HydrophobicContact CD1-CD2 4.41Å; F15-L52 HydrophobicContact CE1-CD2 3.58Å; F15-L52 HydrophobicContact CE1-CG 4.17Å; F15-L52 HydrophobicContact CE2-CB 4.48Å; F15-L52 HydrophobicContact CE2-CD2 4.18Å; F15-L52 HydrophobicContact CE2-CG 3.85Å; F15-L52 HydrophobicContact CZ-CB 4.11Å; F15-L52 HydrophobicContact CZ-CD2 3.45Å; F15-L52 VanDerWaalsContact CZ-CD2 3.45Å; F15-L52 HydrophobicContact CZ-CG 3.56Å; P16-L52 HydrophobicContact CG-CD1 3.96Å; P16-L52 HydrophobicContact CG-CD2 3.54Å; P16-L52 HydrophobicContact CG-CG 4.17Å; G49-L52 PolarHBondContact O-N 2.63Å; K50-L52 VanDerWaalsContact C-N 3.28Å; K50-L52 PolarHBondContact O-N 2.77Å; L52-C56 VanDerWaalsContact O-CB 3.3Å; L52-C56 WeakPolarHBondContact O-CB 3.38Å; L52-C56 PolarHBondContact O-N 2.79Å; L52-C56 PolarHBondContact O-SG 2.89Å; L52-T107 HydrophobicContact CD1-CG2 3.52Å
53S95.6Very high92.6Very high0 Ų020.8 Ų20.80%014%0.138CC..Hα-helixtrans-65.2-45.3175.5-55.80000111.5G49 K50 T51 A57G49-S53 PolarHBondContact O-N 3.38Å; G49-S53 PolarHBondContact O-OG 3.11Å; K50-S53 WeakPolarHBondContact O-CB 3.49Å; K50-S53 PolarHBondContact O-N 3.47Å; T51-S53 PolarHBondContact O-N 3.01Å; S53-A57 VanDerWaalsContact O-CB 3.24Å; S53-A57 WeakPolarHBondContact O-CB 3.47Å; S53-A57 PolarHBondContact O-N 3.36Å; S53-A57 VanDerWaalsContact O-N 3.08Å
54L97.3Very high92.7Very high0 Ų021.8 Ų21.80%014%0.142CC..Hα-helixtrans-59.4-51.8175.4-72.6171.2000111.8V30 L42 K50 T51 S58 Y89 I228 D230 I468 M470V30-L54 HydrophobicContact CG2-CD2 3.8Å; L42-L54 HydrophobicContact CD1-CD2 3.93Å; K50-L54 PolarHBondContact O-N 2.92Å; T51-L54 PolarHBondContact O-N 3.2Å; L54-S58 VanDerWaalsContact O-CB 3.27Å; L54-S58 WeakPolarHBondContact O-CB 3.4Å; L54-S58 PolarHBondContact O-N 3.29Å; L54-S58 PolarHBondContact O-OG 2.87Å; L54-Y89 HydrophobicContact CB-CE2 4.03Å; L54-Y89 HydrophobicContact CD1-CE2 4.41Å; L54-Y89 WeakPolarHBondContact CD1-OH 3.38Å; L54-I228 HydrophobicContact CD1-CG2 3.91Å; L54-I228 HydrophobicContact CD2-CG2 4.15Å; L54-I228 HydrophobicContact CG-CG2 4.45Å; L54-D230 HydrophobicContact CD1-CB 4.26Å; L54-I468 HydrophobicContact CD2-CG2 3.98Å; L54-M470 HydrophobicContact CD1-CB 3.83Å; L54-M470 HydrophobicContact CD1-CG 3.67Å; L54-M470 HydrophobicContact CD1-SD 3.95Å; L54-M470 HydrophobicContact CD2-CB 4.39Å; L54-M470 HydrophobicContact CD2-CG 4.32Å; L54-M470 HydrophobicContact CG-CG 4.23Å
55L97.8Very high92.9Very high0 Ų024.8 Ų24.80%015%0.153CC..Hα-helixtrans-60.6-51.7-179.3-73173.1000111.3T51 A57 S58 L59 Y89 V100 E103 L104 I201 F203T51-L55 HydrophobicContact CG2-CD1 4.12Å; T51-L55 WeakPolarHBondContact O-CB 3.38Å; T51-L55 WeakPolarHBondContact O-CG 3.35Å; T51-L55 PolarHBondContact O-N 2.98Å; L55-A57 PolarHBondContact O-N 3.36Å; L55-S58 PolarHBondContact O-OG 3.18Å; L55-L59 HydrophobicContact CB-CD1 4.46Å; L55-L59 HydrophobicContact CD2-CD1 4.49Å; L55-L59 WeakPolarHBondContact O-CB 3.42Å; L55-L59 WeakPolarHBondContact O-CG 3.42Å; L55-L59 PolarHBondContact O-N 3.34Å; L55-Y89 HydrophobicContact CD2-CD2 3.74Å; L55-Y89 HydrophobicContact CD2-CE2 3.69Å; L55-Y89 HydrophobicContact CG-CE2 3.98Å; L55-V100 HydrophobicContact CD1-CG1 3.98Å; L55-V100 HydrophobicContact CD2-CG1 4.19Å; L55-V100 HydrophobicContact CG-CG1 4.4Å; L55-E103 HydrophobicContact CD1-CB 4.36Å; L55-L104 HydrophobicContact CD1-CB 3.96Å; L55-L104 HydrophobicContact CD1-CD1 4.47Å; L55-I201 HydrophobicContact CD2-CD1 4.07Å; L55-F203 HydrophobicContact CD2-CE1 4.34Å; L55-F203 HydrophobicContact CD2-CZ 4.38Å
56C97.6Very high93.2Very high0 Ų026.3 Ų26.30%016%0.158CC..Hα-helixtrans-65.5-41-174.9-690000112.7V13 F15 M27 L52 G60 Y109V13-C56 HydrophobicContact CG1-CB 3.81Å; V13-C56 WeakPolarHBondContact CG1-O 3.31Å; F15-C56 HydrophobicContact CD2-CB 3.64Å; F15-C56 HydrophobicContact CE2-CB 3.93Å; M27-C56 HydrophobicContact SD-CB 4.46Å; L52-C56 VanDerWaalsContact O-CB 3.3Å; L52-C56 WeakPolarHBondContact O-CB 3.38Å; L52-C56 PolarHBondContact O-N 2.79Å; L52-C56 PolarHBondContact O-SG 2.89Å; C56-G60 PolarHBondContact O-N 2.83Å; C56-Y109 HydrophobicContact CB-CE2 3.92Å; C56-Y109 PolarHBondContact O-OH 3.44Å
57A97.9Very high93.6Very high0 Ų025.6 Ų25.60%015%0.15CC..Hα-helixtrans-69-46.9179.300000112.1M27 V30 I31 S53 L55 W61M27-A57 HydrophobicContact CB-CB 3.92Å; M27-A57 HydrophobicContact CG-CB 3.93Å; V30-A57 HydrophobicContact CB-CB 3.9Å; V30-A57 HydrophobicContact CG1-CB 3.63Å; I31-A57 HydrophobicContact CD1-CB 4.32Å; I31-A57 HydrophobicContact CG1-CB 4.17Å; S53-A57 VanDerWaalsContact O-CB 3.24Å; S53-A57 WeakPolarHBondContact O-CB 3.47Å; S53-A57 PolarHBondContact O-N 3.36Å; S53-A57 VanDerWaalsContact O-N 3.08Å; L55-A57 PolarHBondContact O-N 3.36Å; A57-W61 WeakPolarHBondContact O-CB 3.48Å; A57-W61 PolarHBondContact O-N 3.37Å
58S98Very high94.1Very high0 Ų024.8 Ų24.80%013%0.126CC..Hα-helixtrans-67.6-41.7-17959.70000112.5L54 L55 W61 L62L54-S58 VanDerWaalsContact O-CB 3.27Å; L54-S58 WeakPolarHBondContact O-CB 3.4Å; L54-S58 PolarHBondContact O-N 3.29Å; L54-S58 PolarHBondContact O-OG 2.87Å; L55-S58 PolarHBondContact O-OG 3.18Å; S58-W61 PolarHBondContact O-N 2.9Å; S58-L62 WeakPolarHBondContact O-CB 3.21Å; S58-L62 PolarHBondContact O-N 3.01Å
59L97.9Very high94.4Very high2 Ų224.8 Ų24.81%0.0113%0.126CC..Hα-helixtrans-71.8-38.9178.2-66.1171.4000112.3L55 W61 L62 E63 I87 L104 Y109 T112 I201L55-L59 HydrophobicContact CB-CD1 4.46Å; L55-L59 HydrophobicContact CD2-CD1 4.49Å; L55-L59 WeakPolarHBondContact O-CB 3.42Å; L55-L59 WeakPolarHBondContact O-CG 3.42Å; L55-L59 PolarHBondContact O-N 3.34Å; L59-W61 VanDerWaalsContact C-N 3.32Å; L59-W61 PolarHBondContact O-N 3.14Å; L59-L62 PolarHBondContact O-N 2.73Å; L59-E63 PolarHBondContact O-N 3.07Å; L59-I87 HydrophobicContact CD2-CD1 4.01Å; L59-L104 HydrophobicContact CD1-CD1 3.63Å; L59-Y109 HydrophobicContact CB-CD1 3.8Å; L59-Y109 HydrophobicContact CB-CD2 4.09Å; L59-Y109 HydrophobicContact CB-CE1 4.17Å; L59-Y109 HydrophobicContact CB-CE2 4.43Å; L59-Y109 HydrophobicContact CB-CG 3.74Å; L59-Y109 HydrophobicContact CD1-CD2 4.29Å; L59-Y109 HydrophobicContact CD1-CG 3.98Å; L59-Y109 HydrophobicContact CG-CG 4.49Å; L59-T112 HydrophobicContact CD2-CG2 3.8Å; L59-I201 HydrophobicContact CD2-CD1 4.25Å
60G97.2Very high94.4Very high2 Ų227.6 Ų27.62%0.02114%0.138CC..Hα-helixtrans-62.1-40.7173.700000112.3V11 C56 K64 Y109V11-G60 VanDerWaalsContact CG1-C 3.5Å; C56-G60 PolarHBondContact O-N 2.83Å; G60-K64 PolarHBondContact O-N 2.95Å; G60-Y109 WeakPolarHBondContact CA-OH 3.5Å
61W97.4Very high94Very high15 Ų1531.9 Ų31.96%0.05716%0.161CC..Hα-helixtrans-64.5-42.2173.3-18094.8000111.9V11 L34 A57 S58 L59 K64 R65 P85 I226V11-W61 HydrophobicContact CG1-CB 4.22Å; L34-W61 HydrophobicContact CB-CD2 3.78Å; L34-W61 HydrophobicContact CB-CE3 4.43Å; L34-W61 HydrophobicContact CB-CG 3.89Å; L34-W61 HydrophobicContact CB-CZ2 4.16Å; L34-W61 HydrophobicContact CD1-CB 3.77Å; L34-W61 HydrophobicContact CD1-CD2 4.03Å; L34-W61 HydrophobicContact CD1-CE3 4.34Å; L34-W61 HydrophobicContact CD1-CG 3.77Å; L34-W61 HydrophobicContact CG-CD2 4.39Å; L34-W61 HydrophobicContact CG-CG 4.45Å; A57-W61 WeakPolarHBondContact O-CB 3.48Å; A57-W61 PolarHBondContact O-N 3.37Å; S58-W61 PolarHBondContact O-N 2.9Å; L59-W61 VanDerWaalsContact C-N 3.32Å; L59-W61 PolarHBondContact O-N 3.14Å; W61-K64 PolarHBondContact O-N 2.96Å; W61-R65 HydrophobicContact CE3-CB 4.35Å; W61-R65 HydrophobicContact CH2-CB 4.31Å; W61-R65 HydrophobicContact CH2-CG 4Å; W61-R65 HydrophobicContact CZ2-CG 4.37Å; W61-R65 HydrophobicContact CZ3-CB 4.18Å; W61-R65 HydrophobicContact CZ3-CG 4.22Å; W61-R65 WeakPolarHBondContact O-CB 3.39Å; W61-R65 PolarHBondContact O-N 2.75Å; W61-P85 HydrophobicContact CH2-CG 3.71Å; W61-P85 HydrophobicContact CZ3-CG 3.67Å; W61-I226 HydrophobicContact CE3-CD1 3.93Å; W61-I226 HydrophobicContact CH2-CD1 4.12Å; W61-I226 HydrophobicContact CZ3-CD1 3.43Å; W61-I226 VanDerWaalsContact CZ3-CD1 3.43Å
62L96Very high93.4Very high4 Ų435.8 Ų35.82%0.02118%0.179CC..Hα-helixtrans-64.6-41.1179.6-176.161.9000112.2S58 L59 R65 K66 P85 I87 D200S58-L62 WeakPolarHBondContact O-CB 3.21Å; S58-L62 PolarHBondContact O-N 3.01Å; L59-L62 PolarHBondContact O-N 2.73Å; L62-R65 PolarHBondContact O-N 2.94Å; L62-K66 HydrophobicContact CG-CD 4.43Å; L62-K66 WeakPolarHBondContact O-CB 3.46Å; L62-K66 VanDerWaalsContact O-CG 3.32Å; L62-K66 WeakPolarHBondContact O-CG 3.45Å; L62-K66 PolarHBondContact O-N 3.38Å; L62-P85 HydrophobicContact CD1-CG 4.44Å; L62-P85 WeakPolarHBondContact CD1-O 3.35Å; L62-I87 HydrophobicContact CB-CD1 4.18Å; L62-I87 HydrophobicContact CD2-CD1 3.84Å; L62-I87 HydrophobicContact CD2-CG1 4.29Å; L62-D200 HydrophobicContact CD2-CB 3.89Å
63E95Very high92.5Very high81 Ų8140.4 Ų40.438%0.37920%0.203SC..Hα-helixtrans-59.9-48174.2-76.3-176.2171.400111.6L59 R65 K66 N67 Y109L59-E63 PolarHBondContact O-N 3.07Å; E63-R65 PolarHBondContact O-N 3.19Å; E63-K66 PolarHBondContact O-N 3.36Å; E63-N67 VanDerWaalsContact O-CG 3.3Å; E63-N67 PolarHBondContact O-N 3.35Å; E63-N67 VanDerWaalsContact O-N 3.11Å; E63-N67 PolarHBondContact O-ND2 3.13Å; E63-Y109 WeakPolarHBondContact OE1-CD1 3.41Å
64K94.7Very high91.6Very high59 Ų5945.1 Ų45.126%0.25724%0.235SC..Hα-helixtrans-56.9-50.3174.5-179.9-169175.1-178.70110.9G10 V11 E35 G60 W61 K66 N67 D68G10-K64 WeakPolarHBondContact O-CE 3.38Å; G10-K64 PolarHBondContact O-NZ 2.74Å; G10-K64 VanDerWaalsContact O-NZ 3.14Å; V11-K64 HydrophobicContact CB-CD 4.34Å; V11-K64 HydrophobicContact CG2-CD 3.72Å; E35-K64 IonicContact OE1-NZ 3.89Å; G60-K64 PolarHBondContact O-N 2.95Å; W61-K64 PolarHBondContact O-N 2.96Å; K64-K66 VanDerWaalsContact C-N 3.28Å; K64-K66 PolarHBondContact O-N 2.83Å; K64-N67 WeakPolarHBondContact O-CB 3.21Å; K64-N67 PolarHBondContact O-N 3.03Å; K64-N67 VanDerWaalsContact O-N 3.09Å; K64-D68 VanDerWaalsContact O-CG 3.28Å; K64-D68 PolarHBondContact O-N 3.28Å
65R93.1Very high90.2Very high64 Ų6448.2 Ų48.224%0.24226%0.257CS..Hα-helixtrans-59.6-39.3-176.8-175.463.6-179.1124.71112.5W61 L62 E63 I69 P85W61-R65 HydrophobicContact CE3-CB 4.35Å; W61-R65 HydrophobicContact CH2-CB 4.31Å; W61-R65 HydrophobicContact CH2-CG 4Å; W61-R65 HydrophobicContact CZ2-CG 4.37Å; W61-R65 HydrophobicContact CZ3-CB 4.18Å; W61-R65 HydrophobicContact CZ3-CG 4.22Å; W61-R65 WeakPolarHBondContact O-CB 3.39Å; W61-R65 PolarHBondContact O-N 2.75Å; L62-R65 PolarHBondContact O-N 2.94Å; E63-R65 PolarHBondContact O-N 3.19Å; R65-I69 HydrophobicContact CG-CD1 4.2Å; R65-I69 WeakPolarHBondContact O-CG1 3.25Å; R65-I69 PolarHBondContact O-N 3.26Å; R65-P85 HydrophobicContact CG-CG 4.38Å
66K91.7Very high88.2Confident47 Ų4757.4 Ų57.420%0.20430%0.3CS..Hα-helixtrans-66.2-41.1175.8-77.9178.1164.9-155.80112.7L62 E63 K64 I69 T70 D200L62-K66 HydrophobicContact CG-CD 4.43Å; L62-K66 WeakPolarHBondContact O-CB 3.46Å; L62-K66 VanDerWaalsContact O-CG 3.32Å; L62-K66 WeakPolarHBondContact O-CG 3.45Å; L62-K66 PolarHBondContact O-N 3.38Å; E63-K66 PolarHBondContact O-N 3.36Å; K64-K66 VanDerWaalsContact C-N 3.28Å; K64-K66 PolarHBondContact O-N 2.83Å; K66-I69 PolarHBondContact O-N 3.46Å; K66-T70 WeakPolarHBondContact O-CB 3.21Å; K66-T70 PolarHBondContact O-N 3.09Å; K66-T70 PolarHBondContact O-OG1 3.49Å; K66-D200 WeakPolarHBondContact CE-OD1 3.32Å; K66-D200 IonicContact NZ-OD1 2.77Å; K66-D200 PolarHBondContact NZ-OD1 2.92Å; K66-D200 IonicContact NZ-OD2 3.55Å; K66-D200 PolarHBondContact NZ-OD2 2.66Å
67N90.7Very high86.1Confident97 Ų9764.1 Ų64.152%0.51934%0.336SS..Hα-helixtrans-63.8-47.4175.8-66.2-18.1000110E63 K64 I69 T70 D71E63-N67 VanDerWaalsContact O-CG 3.3Å; E63-N67 PolarHBondContact O-N 3.35Å; E63-N67 VanDerWaalsContact O-N 3.11Å; E63-N67 PolarHBondContact O-ND2 3.13Å; K64-N67 WeakPolarHBondContact O-CB 3.21Å; K64-N67 PolarHBondContact O-N 3.03Å; K64-N67 VanDerWaalsContact O-N 3.09Å; N67-I69 VanDerWaalsContact C-N 3.3Å; N67-I69 PolarHBondContact O-N 3.01Å; N67-T70 WeakPolarHBondContact O-CB 3.34Å; N67-T70 PolarHBondContact O-N 3.23Å; N67-D71 PolarHBondContact O-N 3.17Å
68D89.3Confident83.7Confident65 Ų6574.1 Ų74.135%0.34838%0.38SS..Hα-helixtrans-55.8-44.2177.1-62.3-18.3000111.7K64 D71 M72K64-D68 VanDerWaalsContact O-CG 3.28Å; K64-D68 PolarHBondContact O-N 3.28Å; D68-D71 PolarHBondContact O-N 3.41Å; D68-M72 WeakPolarHBondContact O-CB 3.3Å; D68-M72 VanDerWaalsContact O-CG 3.22Å; D68-M72 WeakPolarHBondContact O-CG 3.22Å; D68-M72 PolarHBondContact O-N 2.74Å
69I86.3Confident81.3Confident9 Ų982.7 Ų82.75%0.04642%0.417CS..Hα-helixtrans-67.4-39.5177.6-72.4165.4000111.6R65 K66 N67 D71 M72 I73 N84R65-I69 HydrophobicContact CG-CD1 4.2Å; R65-I69 WeakPolarHBondContact O-CG1 3.25Å; R65-I69 PolarHBondContact O-N 3.26Å; K66-I69 PolarHBondContact O-N 3.46Å; N67-I69 VanDerWaalsContact C-N 3.3Å; N67-I69 PolarHBondContact O-N 3.01Å; I69-D71 VanDerWaalsContact C-N 3.34Å; I69-M72 PolarHBondContact O-N 3.12Å; I69-I73 HydrophobicContact CG2-CD1 3.82Å; I69-I73 HydrophobicContact CG2-CG1 4.46Å; I69-I73 VanDerWaalsContact O-CG1 3.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.15Å; I69-I73 PolarHBondContact O-N 3.15Å; I69-N84 WeakPolarHBondContact CD1-OD1 3.41Å
70T86.3Confident78.9Confident84 Ų8488.1 Ų88.152%0.51546%0.455SS..Hα-helixtrans-64.2-42.8178.3-56.20000110.7K66 N67 I73 S74K66-T70 WeakPolarHBondContact O-CB 3.21Å; K66-T70 PolarHBondContact O-N 3.09Å; K66-T70 PolarHBondContact O-OG1 3.49Å; N67-T70 WeakPolarHBondContact O-CB 3.34Å; N67-T70 PolarHBondContact O-N 3.23Å; T70-I73 PolarHBondContact O-N 2.82Å; T70-S74 PolarHBondContact O-N 2.95Å; T70-S74 VanDerWaalsContact O-N 3.16Å
71D84.8Confident76.8Confident102 Ų10291.9 Ų91.955%0.54548%0.477SS..Hα-helixtrans-64.2-42.9175.7-67.4-15.3000110.6N67 D68 I69 I73 S74 S75N67-D71 PolarHBondContact O-N 3.17Å; D68-D71 PolarHBondContact O-N 3.41Å; I69-D71 VanDerWaalsContact C-N 3.34Å; D71-I73 PolarHBondContact O-N 2.97Å; D71-S74 PolarHBondContact O-N 3.43Å; D71-S74 PolarHBondContact O-OG 2.76Å; D71-S75 PolarHBondContact O-N 3.4Å; D71-S75 PolarHBondContact O-OG 3.21Å
72M80.7Confident75.2Confident112 Ų11294.8 Ų94.855%0.55250%0.498SS*.Hα-helixtrans-61.4-38.1175.1-73.3-179.388.300113.3D68 I69 S74 S75D68-M72 WeakPolarHBondContact O-CB 3.3Å; D68-M72 VanDerWaalsContact O-CG 3.22Å; D68-M72 WeakPolarHBondContact O-CG 3.22Å; D68-M72 PolarHBondContact O-N 2.74Å; I69-M72 PolarHBondContact O-N 3.12Å; M72-S74 VanDerWaalsContact C-N 3.3Å; M72-S75 WeakPolarHBondContact CA-OG 3.42Å; M72-S75 PolarHBondContact O-N 2.93Å; M72-S75 PolarHBondContact O-OG 2.8Å
73I77.6Confident73.9Confident106 Ų10697.7 Ų97.754%0.54453%0.529SS..Hα-helixtrans-68.2-32.8177.3-70.3163.1000111.3I69 T70 D71 S75 T81I69-I73 HydrophobicContact CG2-CD1 3.82Å; I69-I73 HydrophobicContact CG2-CG1 4.46Å; I69-I73 VanDerWaalsContact O-CG1 3.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.15Å; I69-I73 PolarHBondContact O-N 3.15Å; T70-I73 PolarHBondContact O-N 2.82Å; D71-I73 PolarHBondContact O-N 2.97Å; I73-S75 VanDerWaalsContact C-N 3.28Å; I73-S75 PolarHBondContact O-N 3.25Å; I73-T81 HydrophobicContact CD1-CG2 4.44Å; I73-T81 HydrophobicContact CG1-CG2 3.78Å
74S76.5Confident73.2Confident98 Ų9896.9 Ų96.969%0.68553%0.527SS*.Hα-helixtrans-70.6-24.8178.775.90000113T70 D71 M72T70-S74 PolarHBondContact O-N 2.95Å; T70-S74 VanDerWaalsContact O-N 3.16Å; D71-S74 PolarHBondContact O-N 3.43Å; D71-S74 PolarHBondContact O-OG 2.76Å; M72-S74 VanDerWaalsContact C-N 3.3Å
75S66.8Low73Confident65 Ų6594.5 Ų94.546%0.45552%0.518SS..SBendtrans-84.8127.2166.443.70000110.7D71 M72 I73 D77D71-S75 PolarHBondContact O-N 3.4Å; D71-S75 PolarHBondContact O-OG 3.21Å; M72-S75 WeakPolarHBondContact CA-OG 3.42Å; M72-S75 PolarHBondContact O-N 2.93Å; M72-S75 PolarHBondContact O-OG 2.8Å; I73-S75 VanDerWaalsContact C-N 3.28Å; I73-S75 PolarHBondContact O-N 3.25Å; S75-D77 PolarHBondContact O-N 2.92Å
76E57.5Low73.1Confident194 Ų19493.2 Ų93.291%0.90751%0.514SS*.SBendtrans-59.811.1-165.8-67-173.3143.700118.5K78E76-K78 PolarHBondContact O-N 3.46Å
77D53.2Low73.4Confident141 Ų14191 Ų9175%0.75450%0.504SS*.  trans-80.686.6-179.9-97.2-32.9000112.5S75 K79S75-D77 PolarHBondContact O-N 2.92Å; D77-K79 PolarHBondContact O-N 3.48Å
78K46.4Very low73.8Confident210 Ų21086.5 Ų86.591%0.91348%0.48SS*.  trans-72.654.7173.4-69.1-178.1178.1173.80113.6E76E76-K78 PolarHBondContact O-N 3.46Å
79K47.3Very low74.2Confident180 Ų18083.4 Ų83.478%0.78346%0.464SS*.SBendtrans-100.8128160.9-78.5-176.6179.5174.50109.1D77 T81D77-K79 PolarHBondContact O-N 3.48Å; K79-T81 PolarHBondContact O-N 3.13Å
80S49Very low74.7Confident116 Ų11683 Ų8381%0.81146%0.461SS*.  trans-12.694.3-177.658.20000114.3P82S80-P82 WeakPolarHBondContact O-CD 3.41Å
81T53.2Low75.2Confident80 Ų8079 Ų7949%0.49144%0.438SS..PPolyproline II helixtrans-64.5122.4175.8360000109.1I73 K79 G83I73-T81 HydrophobicContact CD1-CG2 4.44Å; I73-T81 HydrophobicContact CG1-CG2 3.78Å; K79-T81 PolarHBondContact O-N 3.13Å; T81-G83 PolarHBondContact O-N 2.95Å
82P62Low75.5Confident76 Ų7680.8 Ų80.849%0.49444%0.437SS..PPolyproline II helixtrans-56.4133.5173.9-19.630.1000109.4S80S80-P82 WeakPolarHBondContact O-CD 3.41Å
83G70.4Confident76.1Confident65 Ų6578.3 Ų78.367%0.6743%0.427SS*.PPolyproline II helixtrans-56.6148.2173.200000110.8T81 P85T81-G83 PolarHBondContact O-N 2.95Å; G83-P85 WeakPolarHBondContact O-CD 3.47Å
84N80.7Confident76.7Confident64 Ų6474.7 Ų74.734%0.34241%0.408SS..PPolyproline II helixtrans-63122.8174.2-85.3-36.7000109.3I69 K86I69-N84 WeakPolarHBondContact CD1-OD1 3.41Å; N84-K86 PolarHBondContact O-N 3.22Å
85P90.4Very high77.5Confident9 Ų977.7 Ų77.76%0.05841%0.409CS..PPolyproline II helixtrans-64.7136.9177.125.8-32.5000110W61 L62 R65 G83 H225 I226W61-P85 HydrophobicContact CH2-CG 3.71Å; W61-P85 HydrophobicContact CZ3-CG 3.67Å; L62-P85 HydrophobicContact CD1-CG 4.44Å; L62-P85 WeakPolarHBondContact CD1-O 3.35Å; R65-P85 HydrophobicContact CG-CG 4.38Å; G83-P85 WeakPolarHBondContact O-CD 3.47Å; P85-H225 WeakPolarHBondContact CA-ND1 3.46Å; P85-I226 HydrophobicContact CB-CD1 4.32Å
86K95Very high78.7Confident37 Ų3776.7 Ų76.716%0.16140%0.397CS..PPolyproline II helixtrans-91.6154.5171.9-63.3177.3179.4174.20110.2N84 A196 R197 I202 H225 I226N84-K86 PolarHBondContact O-N 3.22Å; K86-A196 PolarHBondContact NZ-O 3.26Å; K86-R197 PolarHBondContact NZ-O 3.15Å; K86-I202 HydrophobicContact CD-CD1 4.11Å; K86-H225 PolarHBondContact N-CE1 3.47Å; K86-H225 PolarHBondContact N-ND1 3.47Å; K86-H225 VanDerWaalsContact N-ND1 3.13Å; K86-I226 PolarHBondContact O-N 3.03Å
87I97.9Very high80.6Confident0 Ų067.5 Ų67.50%035%0.354CS..EExtended strand (participates in β ladder)trans-101.5118.4172.4-60.6165.8000108.8L59 L62 D200 I201 I202 I226 I228L59-I87 HydrophobicContact CD2-CD1 4.01Å; L62-I87 HydrophobicContact CB-CD1 4.18Å; L62-I87 HydrophobicContact CD2-CD1 3.84Å; L62-I87 HydrophobicContact CD2-CG1 4.29Å; I87-D200 PolarHBondContact N-O 3.05Å; I87-I201 HydrophobicContact CB-CB 4.34Å; I87-I201 HydrophobicContact CB-CD1 4.45Å; I87-I201 HydrophobicContact CB-CG1 4.07Å; I87-I201 HydrophobicContact CG2-CD1 4.09Å; I87-I201 HydrophobicContact CG2-CG1 4.04Å; I87-I201 CarbonylContact O-C 3.55Å; I87-I201 VanDerWaalsContact O-CA 3.29Å; I87-I201 WeakPolarHBondContact O-CA 3.44Å; I87-I202 PolarHBondContact O-N 3.28Å; I87-I226 HydrophobicContact CG1-CB 4.26Å; I87-I226 HydrophobicContact CG1-CD1 4Å; I87-I226 HydrophobicContact CG1-CG2 4.45Å; I87-I228 HydrophobicContact CG2-CD1 3.84Å; I87-I228 HydrophobicContact CG2-CG1 4.31Å
88Y97.9Very high82.6Confident3 Ų361.2 Ų61.21%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-91.3104164.1-67.3-77.8000109.1I202 L209 L220 E221 V222 H225 I226 I227 I228Y88-I202 CarbonylContact C-O 3.54Å; Y88-I202 WeakPolarHBondContact CA-O 3.29Å; Y88-I202 HydrophobicContact CD1-CB 3.87Å; Y88-I202 HydrophobicContact CD1-CD1 4.1Å; Y88-I202 HydrophobicContact CD1-CG2 4.11Å; Y88-I202 HydrophobicContact CE1-CB 4.02Å; Y88-I202 HydrophobicContact CE1-CD1 3.41Å; Y88-I202 VanDerWaalsContact CE1-CD1 3.41Å; Y88-I202 HydrophobicContact CE1-CG1 4.32Å; Y88-I202 HydrophobicContact CE1-CG2 4.16Å; Y88-L209 HydrophobicContact CD1-CD2 4.06Å; Y88-L209 HydrophobicContact CE1-CD2 4.43Å; Y88-L209 HydrophobicContact CG-CD1 4.33Å; Y88-L209 HydrophobicContact CG-CD2 4.25Å; Y88-L220 HydrophobicContact CE1-CB 4.5Å; Y88-L220 HydrophobicContact CE1-CD1 4.33Å; Y88-L220 HydrophobicContact CE1-CD2 3.59Å; Y88-L220 HydrophobicContact CE1-CG 4.33Å; Y88-E221 WeakPolarHBondContact CE2-O 3.34Å; Y88-E221 VanDerWaalsContact CZ-O 3.27Å; Y88-E221 PolarHBondContact OH-O 3.05Å; Y88-V222 HydrophobicContact CE2-CG1 4.49Å; Y88-H225 HydrophobicContact CD2-CB 4.1Å; Y88-H225 HydrophobicContact CE2-CB 3.81Å; Y88-H225 AromaticContact CE2-CD2 3.86Å; Y88-I226 PolarHBondContact N-O 3.01Å; Y88-I227 HydrophobicContact CD2-CG1 4.5Å; Y88-I228 PolarHBondContact O-N 3.11Å
89Y98.2Very high84.9Confident0 Ų056 Ų560%030%0.3CS..EExtended strand (participates in β ladder)trans-96.3104.3176.3-164.1-64.2000109.4L54 L55 T91 V100 I201 I202 F203 C204 I228 D230L54-Y89 HydrophobicContact CB-CE2 4.03Å; L54-Y89 HydrophobicContact CD1-CE2 4.41Å; L54-Y89 WeakPolarHBondContact CD1-OH 3.38Å; L55-Y89 HydrophobicContact CD2-CD2 3.74Å; L55-Y89 HydrophobicContact CD2-CE2 3.69Å; L55-Y89 HydrophobicContact CG-CE2 3.98Å; Y89-T91 HydrophobicContact CD1-CG2 4.33Å; Y89-T91 HydrophobicContact CE1-CG2 4.1Å; Y89-V100 HydrophobicContact CD1-CG1 4.05Å; Y89-V100 HydrophobicContact CD1-CG2 4.45Å; Y89-V100 HydrophobicContact CE1-CB 4.4Å; Y89-V100 HydrophobicContact CE1-CG1 3.75Å; Y89-V100 HydrophobicContact CE1-CG2 3.75Å; Y89-V100 HydrophobicContact CE2-CG1 4.45Å; Y89-I201 HydrophobicContact CD2-CD1 4.45Å; Y89-I202 PolarHBondContact N-O 2.99Å; Y89-F203 AromaticContact CD1-CD1 3.98Å; Y89-F203 HydrophobicContact CD1-CD1 3.98Å; Y89-F203 HydrophobicContact CD1-CE1 4.02Å; Y89-F203 HydrophobicContact CD2-CE1 4.35Å; Y89-F203 AromaticContact CG-CD1 3.95Å; Y89-F203 HydrophobicContact CG-CD1 3.95Å; Y89-F203 AromaticContact CG-CE1 3.74Å; Y89-F203 HydrophobicContact CG-CE1 3.74Å; Y89-F203 VanDerWaalsContact O-CA 3.3Å; Y89-F203 WeakPolarHBondContact O-CA 3.16Å; Y89-C204 PolarHBondContact O-N 3.24Å; Y89-I228 HydrophobicContact CD2-CB 4.28Å; Y89-I228 HydrophobicContact CD2-CD1 4.16Å; Y89-I228 HydrophobicContact CD2-CG2 4.12Å; Y89-I228 HydrophobicContact CE2-CG2 4Å; Y89-D230 HydrophobicContact CE1-CB 3.63Å; Y89-D230 PolarHBondContact OH-OD2 2.82Å
90C97.5Very high87.3Confident0 Ų047.7 Ų47.70%027%0.265CS..EExtended strand (participates in β ladder)trans-110144.8-172.6-50.60000112.1C204 Y206 L209 I228 L229 D230C90-C204 WeakPolarHBondContact CA-O 3.28Å; C90-C204 WeakPolarHBondContact CB-O 3.12Å; C90-C204 PolarHBondContact SG-SG 2.84Å; C90-Y206 HydrophobicContact CB-CD1 3.67Å; C90-Y206 HydrophobicContact CB-CE1 4.11Å; C90-Y206 WeakPolarHBondContact O-CE1 3.2Å; C90-L209 WeakPolarHBondContact SG-CD1 3.44Å; C90-I228 PolarHBondContact N-O 3.19Å; C90-L229 HydrophobicContact CB-CD2 3.71Å; C90-D230 PolarHBondContact O-N 3.21Å
91T96Very high89.6Confident2 Ų242.2 Ų42.21%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-131.3178172.7700000109.1Y89 T93 Q96 I97 V100 C204 P205 Y206 D230Y89-T91 HydrophobicContact CD1-CG2 4.33Å; Y89-T91 HydrophobicContact CE1-CG2 4.1Å; T91-T93 PolarHBondContact OG1-O 3.17Å; T91-Q96 HydrophobicContact CG2-CB 4.19Å; T91-I97 HydrophobicContact CG2-CG1 4.33Å; T91-I97 VanDerWaalsContact OG1-CG1 3.27Å; T91-I97 WeakPolarHBondContact OG1-CG1 3.41Å; T91-V100 HydrophobicContact CG2-CG2 3.94Å; T91-C204 PolarHBondContact N-O 3.13Å; T91-P205 CarbonylContact O-C 3.59Å; T91-P205 WeakPolarHBondContact O-CA 3.33Å; T91-Y206 VanDerWaalsContact C-CZ 3.49Å; T91-Y206 WeakPolarHBondContact O-CD1 3.41Å; T91-Y206 WeakPolarHBondContact O-CE1 3.48Å; T91-Y206 PolarHBondContact O-N 2.93Å; T91-D230 HydrophobicContact CG2-CB 4.43Å
92R92.1Very high91.6Very high139 Ų13944.8 Ų44.853%0.52523%0.227SC..SBendtrans-73.2-31.1176.7-172.9178.7177.4-177.2-1.1112.8Q96 Y206 N234R92-Q96 VanDerWaalsContact CB-OE1 3.3Å; R92-Q96 VanDerWaalsContact N-OE1 3.13Å; R92-Y206 HydrophobicContact CB-CD2 4.39Å; R92-Y206 HydrophobicContact CB-CE2 3.87Å; R92-Y206 HydrophobicContact CG-CE2 4.47Å; R92-N234 VanDerWaalsContact NH1-CG 3.32Å; R92-N234 PolarHBondContact NH1-OD1 3.04Å
93T92.4Very high93.2Very high59 Ų5943.9 Ų43.936%0.36222%0.216SC..SBendtrans-143.8152.6-170.165.90000113.3T91 K95 Q96 I97T91-T93 PolarHBondContact OG1-O 3.17Å; T93-K95 PolarHBondContact O-N 3.44Å; T93-Q96 WeakPolarHBondContact O-CB 3.3Å; T93-Q96 PolarHBondContact O-N 2.9Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.37Å; T93-Q96 PolarHBondContact OG1-N 3.49Å; T93-Q96 PolarHBondContact OG1-OE1 2.98Å; T93-Q96 VanDerWaalsContact OG1-OE1 3.07Å; T93-I97 PolarHBondContact O-N 2.79Å; T93-I97 VanDerWaalsContact O-N 3.16Å
94H90.8Very high94.5Very high31 Ų3140.8 Ų40.814%0.14418%0.184CC..Hα-helixtrans-56.4-34.9173.2-73.7-49.3000113.6Q96 I97 S98 L117 S118 H122 I174 P205H94-Q96 VanDerWaalsContact C-N 3.27Å; H94-Q96 PolarHBondContact O-N 3.39Å; H94-I97 WeakPolarHBondContact O-CA 3.35Å; H94-I97 WeakPolarHBondContact O-CB 3.45Å; H94-I97 PolarHBondContact O-N 3.46Å; H94-S98 PolarHBondContact O-N 2.92Å; H94-S98 PolarHBondContact O-OG 2.91Å; H94-L117 PolarHBondContact CE1-O 3.5Å; H94-S118 PolarHBondContact CD2-OG 3.25Å; H94-S118 PolarHBondContact CE1-OG 2.95Å; H94-S118 PolarHBondContact NE2-OG 3.45Å; H94-H122 AromaticContact CD2-CD2 3.75Å; H94-I174 HydrophobicContact CB-CD1 4.09Å; H94-I174 VanDerWaalsContact ND1-CD1 3.27Å; H94-I174 WeakPolarHBondContact ND1-CD1 3.45Å; H94-P205 VanDerWaalsContact CE1-CD 3.49Å; H94-P205 WeakPolarHBondContact CE1-CD 3.21Å
95K91.9Very high95.2Very high160 Ų16042.6 Ų42.670%0.69619%0.186SC*.Hα-helixtrans-61.6-36.4176.8-172.6176.7-179.5179.50112.3T93 Q99T93-K95 PolarHBondContact O-N 3.44Å; K95-Q99 PolarHBondContact O-N 3.09Å
96Q93.6Very high95.4Very high44 Ų4446.4 Ų46.421%0.20620%0.202CC..Hα-helixtrans-70.3-38173.1-73.2164.8-45.200111T91 R92 T93 H94 S98 Q99 V100T91-Q96 HydrophobicContact CG2-CB 4.19Å; R92-Q96 VanDerWaalsContact CB-OE1 3.3Å; R92-Q96 VanDerWaalsContact N-OE1 3.13Å; T93-Q96 WeakPolarHBondContact O-CB 3.3Å; T93-Q96 PolarHBondContact O-N 2.9Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.37Å; T93-Q96 PolarHBondContact OG1-N 3.49Å; T93-Q96 PolarHBondContact OG1-OE1 2.98Å; T93-Q96 VanDerWaalsContact OG1-OE1 3.07Å; H94-Q96 VanDerWaalsContact C-N 3.27Å; H94-Q96 PolarHBondContact O-N 3.39Å; Q96-S98 VanDerWaalsContact C-N 3.33Å; Q96-S98 PolarHBondContact O-N 3.27Å; Q96-Q99 WeakPolarHBondContact O-CA 3.49Å; Q96-Q99 VanDerWaalsContact O-CB 3.32Å; Q96-Q99 WeakPolarHBondContact O-CB 3.32Å; Q96-Q99 PolarHBondContact O-N 3.29Å; Q96-V100 WeakPolarHBondContact O-CG2 3.38Å; Q96-V100 PolarHBondContact O-N 2.95Å
97I96.3Very high95.4Very high1 Ų145 Ų451%0.00520%0.196CC..Hα-helixtrans-56.2-47.5172.7-59.5176.6000110.6T91 T93 H94 Q99 V100 I101 I116 F203 P205T91-I97 HydrophobicContact CG2-CG1 4.33Å; T91-I97 VanDerWaalsContact OG1-CG1 3.27Å; T91-I97 WeakPolarHBondContact OG1-CG1 3.41Å; T93-I97 PolarHBondContact O-N 2.79Å; T93-I97 VanDerWaalsContact O-N 3.16Å; H94-I97 WeakPolarHBondContact O-CA 3.35Å; H94-I97 WeakPolarHBondContact O-CB 3.45Å; H94-I97 PolarHBondContact O-N 3.46Å; I97-Q99 PolarHBondContact O-N 2.81Å; I97-Q99 VanDerWaalsContact O-N 3.14Å; I97-V100 WeakPolarHBondContact O-CA 2.95Å; I97-V100 WeakPolarHBondContact O-CB 3.23Å; I97-V100 PolarHBondContact O-N 3.28Å; I97-I101 HydrophobicContact CG2-CG1 4.2Å; I97-I101 WeakPolarHBondContact O-CG1 3.42Å; I97-I101 PolarHBondContact O-N 3.42Å; I97-I116 HydrophobicContact CD1-CG2 4.32Å; I97-I116 HydrophobicContact CG2-CD1 4.06Å; I97-I116 HydrophobicContact CG2-CG2 4.05Å; I97-F203 HydrophobicContact CD1-CB 4.3Å; I97-F203 HydrophobicContact CG2-CB 3.61Å; I97-F203 HydrophobicContact CG2-CD1 4.34Å; I97-F203 HydrophobicContact CG2-CG 4.1Å; I97-P205 HydrophobicContact CD1-CG 4.43Å
98S95.6Very high95.2Very high10 Ų1050.3 Ų50.37%0.0722%0.22CC..Hα-helixtrans-59.2-29.4177.1-48.90000112.6H94 Q96 R102H94-S98 PolarHBondContact O-N 2.92Å; H94-S98 PolarHBondContact O-OG 2.91Å; Q96-S98 VanDerWaalsContact C-N 3.33Å; Q96-S98 PolarHBondContact O-N 3.27Å; S98-R102 VanDerWaalsContact O-CG 3.31Å; S98-R102 WeakPolarHBondContact O-CG 3.36Å; S98-R102 PolarHBondContact O-N 2.97Å; S98-R102 PolarHBondContact O-NE 2.92Å
99Q94.9Very high95.1Very high100 Ų10050.3 Ų50.347%0.46722%0.219SC..Hα-helixtrans-70.1-43.9171.9-64.5171-15.100111.6K95 Q96 I97 I101 R102 E103K95-Q99 PolarHBondContact O-N 3.09Å; Q96-Q99 WeakPolarHBondContact O-CA 3.49Å; Q96-Q99 VanDerWaalsContact O-CB 3.32Å; Q96-Q99 WeakPolarHBondContact O-CB 3.32Å; Q96-Q99 PolarHBondContact O-N 3.29Å; I97-Q99 PolarHBondContact O-N 2.81Å; I97-Q99 VanDerWaalsContact O-N 3.14Å; Q99-I101 VanDerWaalsContact C-N 3.33Å; Q99-I101 PolarHBondContact O-N 3.27Å; Q99-R102 WeakPolarHBondContact O-CB 3.25Å; Q99-R102 PolarHBondContact O-N 3.15Å; Q99-R102 VanDerWaalsContact O-N 3.17Å; Q99-E103 PolarHBondContact O-N 3.03Å; Q99-E103 VanDerWaalsContact O-N 3.15Å
100V96.9Very high95Very high5 Ų554.8 Ų54.83%0.0324%0.239CC..Hα-helixtrans-59.4-42.6175.4179.10000111.2T51 L55 Y89 T91 Q96 I97 R102 E103 L104 F203T51-V100 HydrophobicContact CG2-CB 4.12Å; T51-V100 HydrophobicContact CG2-CG1 3.88Å; T51-V100 HydrophobicContact CG2-CG2 3.84Å; L55-V100 HydrophobicContact CD1-CG1 3.98Å; L55-V100 HydrophobicContact CD2-CG1 4.19Å; L55-V100 HydrophobicContact CG-CG1 4.4Å; Y89-V100 HydrophobicContact CD1-CG1 4.05Å; Y89-V100 HydrophobicContact CD1-CG2 4.45Å; Y89-V100 HydrophobicContact CE1-CB 4.4Å; Y89-V100 HydrophobicContact CE1-CG1 3.75Å; Y89-V100 HydrophobicContact CE1-CG2 3.75Å; Y89-V100 HydrophobicContact CE2-CG1 4.45Å; T91-V100 HydrophobicContact CG2-CG2 3.94Å; Q96-V100 WeakPolarHBondContact O-CG2 3.38Å; Q96-V100 PolarHBondContact O-N 2.95Å; I97-V100 WeakPolarHBondContact O-CA 2.95Å; I97-V100 WeakPolarHBondContact O-CB 3.23Å; I97-V100 PolarHBondContact O-N 3.28Å; V100-R102 VanDerWaalsContact C-N 3.3Å; V100-R102 PolarHBondContact O-N 3.41Å; V100-E103 WeakPolarHBondContact O-CB 3.5Å; V100-E103 PolarHBondContact O-N 3.29Å; V100-E103 VanDerWaalsContact O-N 3.07Å; V100-L104 PolarHBondContact O-N 3.38Å; V100-F203 HydrophobicContact CG1-CD1 4.19Å; V100-F203 HydrophobicContact CG1-CE1 3.58Å; V100-F203 HydrophobicContact CG1-CZ 4.45Å
101I97.4Very high94.8Very high1 Ų159.9 Ų59.91%0.00527%0.266CS..Hα-helixtrans-61.3-37.8176.8-63.3-44.5000111.9I97 Q99 E103 L104 R105 M114 I116 P171 F203I97-I101 HydrophobicContact CG2-CG1 4.2Å; I97-I101 WeakPolarHBondContact O-CG1 3.42Å; I97-I101 PolarHBondContact O-N 3.42Å; Q99-I101 VanDerWaalsContact C-N 3.33Å; Q99-I101 PolarHBondContact O-N 3.27Å; I101-E103 VanDerWaalsContact C-N 3.32Å; I101-E103 PolarHBondContact O-N 2.88Å; I101-L104 PolarHBondContact O-N 3.07Å; I101-R105 PolarHBondContact O-N 3.49Å; I101-M114 HydrophobicContact CD1-CE 3.49Å; I101-M114 VanDerWaalsContact CD1-CE 3.49Å; I101-M114 HydrophobicContact CD1-SD 4.32Å; I101-M114 HydrophobicContact CG1-CE 4.36Å; I101-I116 HydrophobicContact CD1-CD1 4.21Å; I101-I116 HydrophobicContact CG1-CD1 3.97Å; I101-P171 HydrophobicContact CG2-CB 4.04Å; I101-P171 HydrophobicContact CG2-CG 4.07Å; I101-F203 HydrophobicContact CD1-CD1 4.29Å; I101-F203 HydrophobicContact CD1-CD2 3.73Å; I101-F203 HydrophobicContact CD1-CE1 4.12Å; I101-F203 HydrophobicContact CD1-CE2 3.51Å; I101-F203 HydrophobicContact CD1-CG 4.11Å; I101-F203 HydrophobicContact CD1-CZ 3.73Å
102R95.8Very high94.8Very high135 Ų13560.7 Ų60.751%0.50927%0.271SS..Hα-helixtrans-65.5-35.4174.4-67.9170.3-151.3162.13.8112.2S98 Q99 V100S98-R102 VanDerWaalsContact O-CG 3.31Å; S98-R102 WeakPolarHBondContact O-CG 3.36Å; S98-R102 PolarHBondContact O-N 2.97Å; S98-R102 PolarHBondContact O-NE 2.92Å; Q99-R102 WeakPolarHBondContact O-CB 3.25Å; Q99-R102 PolarHBondContact O-N 3.15Å; Q99-R102 VanDerWaalsContact O-N 3.17Å; V100-R102 VanDerWaalsContact C-N 3.3Å; V100-R102 PolarHBondContact O-N 3.41Å
103E95.4Very high94.9Very high56 Ų5660.1 Ų60.126%0.26227%0.273SS..Hα-helixtrans-69.9-43.8173.3-64.1-51.4132.300111.5T51 L55 Q99 V100 I101 R105 K106T51-E103 HydrophobicContact CG2-CB 4.15Å; T51-E103 HydrophobicContact CG2-CG 4.21Å; L55-E103 HydrophobicContact CD1-CB 4.36Å; Q99-E103 PolarHBondContact O-N 3.03Å; Q99-E103 VanDerWaalsContact O-N 3.15Å; V100-E103 WeakPolarHBondContact O-CB 3.5Å; V100-E103 PolarHBondContact O-N 3.29Å; V100-E103 VanDerWaalsContact O-N 3.07Å; I101-E103 VanDerWaalsContact C-N 3.32Å; I101-E103 PolarHBondContact O-N 2.88Å; E103-R105 PolarHBondContact O-N 3.46Å; E103-K106 WeakPolarHBondContact O-CB 3.41Å; E103-K106 PolarHBondContact O-N 3Å; E103-K106 IonicContact OE1-NZ 3.72Å; E103-K106 PolarHBondContact OE1-NZ 3.48Å; E103-K106 WeakPolarHBondContact OE2-CE 3.38Å; E103-K106 IonicContact OE2-NZ 3.72Å; E103-K106 PolarHBondContact OE2-NZ 3.15Å
104L97.1Very high95.1Very high0 Ų057.7 Ų57.70%026%0.257CS..Hα-helixtrans-55.6-40.7175.9179.961.2000111.8L55 L59 V100 I101 K106 T107 M114 P171 F203L55-L104 HydrophobicContact CD1-CB 3.96Å; L55-L104 HydrophobicContact CD1-CD1 4.47Å; L59-L104 HydrophobicContact CD1-CD1 3.63Å; V100-L104 PolarHBondContact O-N 3.38Å; I101-L104 PolarHBondContact O-N 3.07Å; L104-K106 PolarHBondContact O-N 3.26Å; L104-K106 VanDerWaalsContact O-N 3.13Å; L104-T107 WeakPolarHBondContact O-CB 3.21Å; L104-T107 PolarHBondContact O-N 2.96Å; L104-T107 PolarHBondContact O-OG1 3.07Å; L104-M114 HydrophobicContact CD2-SD 4.17Å; L104-P171 HydrophobicContact CB-CG 4.28Å; L104-P171 HydrophobicContact CD2-CB 3.8Å; L104-P171 HydrophobicContact CD2-CG 4.19Å; L104-P171 HydrophobicContact CG-CB 4.25Å; L104-P171 HydrophobicContact CG-CG 4.09Å; L104-F203 HydrophobicContact CD2-CE2 4.34Å; L104-F203 HydrophobicContact CD2-CZ 4.09Å
105R95.7Very high95.3Very high103 Ų10356.2 Ų56.239%0.38925%0.25SS..THydrogen-bonded Turntrans-58.7-25.3178.7-170.6172.7-67.6148.3-2.9113.5I101 E103 T107 P171 D176I101-R105 PolarHBondContact O-N 3.49Å; E103-R105 PolarHBondContact O-N 3.46Å; R105-T107 VanDerWaalsContact C-N 3.29Å; R105-P171 HydrophobicContact CB-CG 3.74Å; R105-P171 HydrophobicContact CG-CG 4.36Å; R105-P171 PolarHBondContact NH2-O 3.04Å; R105-D176 IonicContact NH2-OD2 3.93Å
106K94.3Very high95.6Very high88 Ų8848.7 Ų48.738%0.38322%0.218SC..THydrogen-bonded Turntrans-79.1-11.1177.9-57.2173.9-166.7168.50112.9P16 E103 L104P16-K106 WeakPolarHBondContact CB-O 3.49Å; E103-K106 WeakPolarHBondContact O-CB 3.41Å; E103-K106 PolarHBondContact O-N 3Å; E103-K106 IonicContact OE1-NZ 3.72Å; E103-K106 PolarHBondContact OE1-NZ 3.48Å; E103-K106 WeakPolarHBondContact OE2-CE 3.38Å; E103-K106 IonicContact OE2-NZ 3.72Å; E103-K106 PolarHBondContact OE2-NZ 3.15Å; L104-K106 PolarHBondContact O-N 3.26Å; L104-K106 VanDerWaalsContact O-N 3.13Å
107T95.4Very high95.6Very high7 Ų746.7 Ų46.74%0.04321%0.208CC..SBendtrans-97.7166.8-173.175.20000112.7L52 L104 R105 Y109 K110L52-T107 HydrophobicContact CD1-CG2 3.52Å; L104-T107 WeakPolarHBondContact O-CB 3.21Å; L104-T107 PolarHBondContact O-N 2.96Å; L104-T107 PolarHBondContact O-OG1 3.07Å; R105-T107 VanDerWaalsContact C-N 3.29Å; T107-Y109 PolarHBondContact O-N 3.37Å; T107-Y109 PolarHBondContact OG1-N 3.34Å; T107-K110 WeakPolarHBondContact O-CB 3.29Å; T107-K110 PolarHBondContact O-N 2.94Å
108K94.8Very high95.5Very high113 Ų11346.8 Ų46.849%0.49121%0.209SC..G310 helixtrans-64.8-26.5168.8-170.2-175.9-179.8-177.50111.7E5 C14 K110E5-K108 IonicContact OE1-NZ 3.78Å; E5-K108 PolarHBondContact OE1-NZ 3.3Å; C14-K108 HydrophobicContact CB-CB 4.01Å; C14-K108 HydrophobicContact CB-CD 3.87Å; C14-K108 WeakPolarHBondContact SG-CD 3.33Å; K108-K110 PolarHBondContact O-N 3.17Å
109Y95.8Very high95.3Very high2 Ų248 Ų481%0.00822%0.218CC..G310 helixtrans-79.39.3-178.5-45.3-71.5000114.3C14 C56 L59 G60 E63 T107 N111 T112C14-Y109 HydrophobicContact CB-CE2 4.26Å; C14-Y109 PolarHBondContact N-OH 3.21Å; C14-Y109 VanDerWaalsContact O-CE2 3.25Å; C14-Y109 WeakPolarHBondContact O-CE2 3.44Å; C56-Y109 HydrophobicContact CB-CE2 3.92Å; C56-Y109 PolarHBondContact O-OH 3.44Å; L59-Y109 HydrophobicContact CB-CD1 3.8Å; L59-Y109 HydrophobicContact CB-CD2 4.09Å; L59-Y109 HydrophobicContact CB-CE1 4.17Å; L59-Y109 HydrophobicContact CB-CE2 4.43Å; L59-Y109 HydrophobicContact CB-CG 3.74Å; L59-Y109 HydrophobicContact CD1-CD2 4.29Å; L59-Y109 HydrophobicContact CD1-CG 3.98Å; L59-Y109 HydrophobicContact CG-CG 4.49Å; G60-Y109 WeakPolarHBondContact CA-OH 3.5Å; E63-Y109 WeakPolarHBondContact OE1-CD1 3.41Å; T107-Y109 PolarHBondContact O-N 3.37Å; T107-Y109 PolarHBondContact OG1-N 3.34Å; Y109-N111 PolarHBondContact O-N 2.69Å; Y109-T112 WeakPolarHBondContact O-CB 3.32Å; Y109-T112 PolarHBondContact O-N 3.08Å; Y109-T112 PolarHBondContact O-OG1 3.47Å
110K95.1Very high95.2Very high94 Ų9444.8 Ų44.841%0.40920%0.201SC..G310 helixtrans-56.8-20.3-179.368.3167.5-173.3169.60114.6T107 K108 P171T107-K110 WeakPolarHBondContact O-CB 3.29Å; T107-K110 PolarHBondContact O-N 2.94Å; K108-K110 PolarHBondContact O-N 3.17Å; K110-P171 VanDerWaalsContact O-CD 3.31Å; K110-P171 WeakPolarHBondContact O-CD 3.3Å
111N93.9Very high94.9Very high107 Ų10752.2 Ų52.257%0.57223%0.233SC*.G310 helixtrans-99.37.4-179.7-62.5-21.3000113.2Y109 K113Y109-N111 PolarHBondContact O-N 2.69Å; N111-K113 PolarHBondContact O-N 2.85Å
112T95Very high94.6Very high20 Ų2057.1 Ų57.112%0.12326%0.256CS..SBendtrans-58135.4175.2-63.60000110L59 Y109 M114 D200 I201L59-T112 HydrophobicContact CD2-CG2 3.8Å; Y109-T112 WeakPolarHBondContact O-CB 3.32Å; Y109-T112 PolarHBondContact O-N 3.08Å; Y109-T112 PolarHBondContact O-OG1 3.47Å; T112-M114 PolarHBondContact O-N 2.72Å; T112-M114 VanDerWaalsContact O-N 3.09Å; T112-D200 HydrophobicContact CG2-CB 3.75Å; T112-I201 HydrophobicContact CG2-CG2 3.82Å
113K94.9Very high94.6Very high127 Ų12750.7 Ų50.755%0.55223%0.232SC*.  trans-61.3116.6177.1-69.8-174.9177.9-177.90109.5N111 D200 I201N111-K113 PolarHBondContact O-N 2.85Å; K113-D200 HydrophobicContact CB-CB 4.47Å; K113-D200 WeakPolarHBondContact O-CB 3.45Å; K113-D200 PolarHBondContact O-N 2.87Å; K113-I201 PolarHBondContact O-N 3.35Å
114M96.4Very high94.5Very high8 Ų849.3 Ų49.34%0.03923%0.228CC..EExtended strand (participates in β ladder)trans-127.7160.7-173.462.2171.5-77.100112.8I101 L104 T112 I116 P171 W172 I201 F203I101-M114 HydrophobicContact CD1-CE 3.49Å; I101-M114 VanDerWaalsContact CD1-CE 3.49Å; I101-M114 HydrophobicContact CD1-SD 4.32Å; I101-M114 HydrophobicContact CG1-CE 4.36Å; L104-M114 HydrophobicContact CD2-SD 4.17Å; T112-M114 PolarHBondContact O-N 2.72Å; T112-M114 VanDerWaalsContact O-N 3.09Å; M114-I116 HydrophobicContact CE-CD1 3.86Å; M114-I116 HydrophobicContact CE-CG1 3.72Å; M114-P171 HydrophobicContact SD-CB 3.47Å; M114-P171 WeakPolarHBondContact SD-CB 3.49Å; M114-W172 HydrophobicContact CE-CD2 4.4Å; M114-W172 HydrophobicContact CE-CE3 4.46Å; M114-W172 WeakPolarHBondContact CE-O 3.33Å; M114-W172 HydrophobicContact CG-CZ2 4.41Å; M114-W172 WeakPolarHBondContact O-CZ2 3.45Å; M114-I201 CarbonylContact C-O 3.58Å; M114-I201 WeakPolarHBondContact CA-O 3.3Å; M114-I201 HydrophobicContact CB-CG2 3.64Å; M114-F203 HydrophobicContact CB-CE2 4.22Å; M114-F203 HydrophobicContact CE-CD2 3.81Å; M114-F203 HydrophobicContact CE-CE2 3.77Å; M114-F203 HydrophobicContact SD-CE2 4.28Å
115S95.9Very high94.4Very high0 Ų050.6 Ų50.60%024%0.235CC..EExtended strand (participates in β ladder)trans-141.4156.1163.1-173.90000110.4S192 I201 I202 F203S115-S192 PolarHBondContact OG-O 3.44Å; S115-I201 PolarHBondContact N-O 3.04Å; S115-I201 VanDerWaalsContact N-O 3.08Å; S115-I202 WeakPolarHBondContact O-CA 3.2Å; S115-F203 PolarHBondContact O-N 3.48Å
116I96.8Very high94.3Very high2 Ų246.2 Ų46.21%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-121.6116.3171.8-49.4-176.9000108.5I97 I101 M114 W172 D173 I174 S192 F203I97-I116 HydrophobicContact CD1-CG2 4.32Å; I97-I116 HydrophobicContact CG2-CD1 4.06Å; I97-I116 HydrophobicContact CG2-CG2 4.05Å; I101-I116 HydrophobicContact CD1-CD1 4.21Å; I101-I116 HydrophobicContact CG1-CD1 3.97Å; M114-I116 HydrophobicContact CE-CD1 3.86Å; M114-I116 HydrophobicContact CE-CG1 3.72Å; I116-W172 HydrophobicContact CB-CZ3 4.37Å; I116-W172 HydrophobicContact CD1-CE3 4.41Å; I116-W172 HydrophobicContact CD1-CZ3 4.45Å; I116-W172 WeakPolarHBondContact CD1-O 3.42Å; I116-W172 HydrophobicContact CG1-CE3 4.46Å; I116-W172 HydrophobicContact CG1-CZ3 4.06Å; I116-D173 HydrophobicContact CD1-CB 4.49Å; I116-I174 HydrophobicContact CB-CG1 4.06Å; I116-I174 HydrophobicContact CD1-CG1 4.46Å; I116-I174 HydrophobicContact CG2-CD1 3.72Å; I116-I174 HydrophobicContact CG2-CG1 3.58Å; I116-S192 VanDerWaalsContact O-CB 3.25Å; I116-S192 WeakPolarHBondContact O-CB 3.44Å; I116-F203 CarbonylContact C-O 3.54Å; I116-F203 WeakPolarHBondContact CA-O 3.27Å; I116-F203 HydrophobicContact CG1-CB 4.13Å; I116-F203 HydrophobicContact CG1-CD2 4.24Å; I116-F203 HydrophobicContact CG2-CB 4.25Å
117L95.2Very high94.1Very high2 Ų246.1 Ų46.11%0.0123%0.227CC..  trans-79138.3172.7-58.7178.9000109H94 R193 A196 I202 F203 C204 Y208 T218 L220H94-L117 PolarHBondContact CE1-O 3.5Å; L117-R193 HydrophobicContact CD2-CG 4.14Å; L117-A196 HydrophobicContact CD2-CB 3.94Å; L117-I202 HydrophobicContact CD1-CG2 3.98Å; L117-I202 HydrophobicContact CG-CG2 3.93Å; L117-F203 PolarHBondContact N-O 2.79Å; L117-C204 HydrophobicContact CB-CB 3.93Å; L117-C204 HydrophobicContact CD1-CB 4.25Å; L117-C204 HydrophobicContact CG-CB 4.43Å; L117-Y208 HydrophobicContact CB-CD1 3.92Å; L117-Y208 HydrophobicContact CB-CE1 3.84Å; L117-Y208 HydrophobicContact CD1-CD1 3.95Å; L117-T218 HydrophobicContact CD1-CG2 4.31Å; L117-L220 HydrophobicContact CD1-CD1 3.61Å; L117-L220 HydrophobicContact CD1-CD2 3.68Å; L117-L220 HydrophobicContact CD1-CG 4.03Å
118S92.8Very high93.8Very high3 Ų352.6 Ų52.62%0.02126%0.257CS..  trans-152.2162.3178.8-168.60000111.7H94 H122 Y189 Y208H94-S118 PolarHBondContact CD2-OG 3.25Å; H94-S118 PolarHBondContact CE1-OG 2.95Å; H94-S118 PolarHBondContact NE2-OG 3.45Å; S118-H122 WeakPolarHBondContact OG-CB 3.29Å; S118-Y189 WeakPolarHBondContact O-CD2 3.4Å; S118-Y189 WeakPolarHBondContact O-CE2 3.39Å; S118-Y208 WeakPolarHBondContact CA-OH 3.24Å; S118-Y208 PolarHBondContact O-OH 2.99Å
119S92Very high93.7Very high36 Ų3647.9 Ų47.925%0.25224%0.237SC..  trans-72.7158.9-179.577.50000111.3K121 H122 T123 Y208S119-K121 PolarHBondContact O-N 3.22Å; S119-K121 PolarHBondContact OG-N 3.19Å; S119-H122 PolarHBondContact O-N 2.62Å; S119-H122 VanDerWaalsContact O-N 3.11Å; S119-H122 PolarHBondContact OG-CD2 2.9Å; S119-H122 VanDerWaalsContact OG-CD2 3.28Å; S119-T123 PolarHBondContact O-N 2.66Å; S119-T123 PolarHBondContact O-OG1 3.08Å; S119-Y208 PolarHBondContact N-OH 2.94Å; S119-Y208 VanDerWaalsContact N-OH 3.1Å
120R92.1Very high93.5Very high32 Ų3250.2 Ų50.212%0.12125%0.254CS..Hα-helixtrans-57.2-31.3174.8-68.5178.1174.190.60.1112.2H122 T123 C124 V135 C139 Y189R120-H122 VanDerWaalsContact C-N 3.27Å; R120-H122 PolarHBondContact O-N 2.79Å; R120-T123 PolarHBondContact O-N 3.02Å; R120-C124 WeakPolarHBondContact O-CB 3.47Å; R120-C124 PolarHBondContact O-N 3.35Å; R120-V135 HydrophobicContact CB-CG1 4.17Å; R120-C139 PolarHBondContact NE-SG 3.49Å; R120-Y189 HydrophobicContact CG-CD1 4.05Å; R120-Y189 HydrophobicContact CG-CD2 3.73Å; R120-Y189 HydrophobicContact CG-CE1 4.01Å; R120-Y189 HydrophobicContact CG-CE2 3.69Å; R120-Y189 HydrophobicContact CG-CG 3.89Å; R120-Y189 VanDerWaalsContact CZ-CE1 3.49Å; R120-Y189 VanDerWaalsContact CZ-OH 3.3Å; R120-Y189 PolarHBondContact NH1-OH 2.81Å; R120-Y189 PolarHBondContact NH2-OH 3.46Å
121K91.5Very high93.2Very high161 Ų16150.7 Ų50.770%0.727%0.269SS*.Hα-helixtrans-60.8-34.8178.3-174.5177.2179.5178.30112.8S119S119-K121 PolarHBondContact O-N 3.22Å; S119-K121 PolarHBondContact OG-N 3.19Å
122H91.6Very high93Very high103 Ų10347.3 Ų47.348%0.47725%0.252SS..Hα-helixtrans-91-15.1-179.3-67.4-67.1000113.7H94 S118 S119 R120 I174H94-H122 AromaticContact CD2-CD2 3.75Å; S118-H122 WeakPolarHBondContact OG-CB 3.29Å; S119-H122 PolarHBondContact O-N 2.62Å; S119-H122 VanDerWaalsContact O-N 3.11Å; S119-H122 PolarHBondContact OG-CD2 2.9Å; S119-H122 VanDerWaalsContact OG-CD2 3.28Å; R120-H122 VanDerWaalsContact C-N 3.27Å; R120-H122 PolarHBondContact O-N 2.79Å; H122-I174 HydrophobicContact CB-CG2 4.49Å
123T94.2Very high92.6Very high1 Ų153.2 Ų53.21%0.00629%0.291CS..Hα-helixtrans-121.8-9.1-168.449.60000114.1S119 R120 I125 I174 V178 P188 Y189S119-T123 PolarHBondContact O-N 2.66Å; S119-T123 PolarHBondContact O-OG1 3.08Å; R120-T123 PolarHBondContact O-N 3.02Å; T123-I125 PolarHBondContact O-N 2.91Å; T123-I174 HydrophobicContact CG2-CG2 3.88Å; T123-V178 HydrophobicContact CG2-CG2 4.39Å; T123-P188 WeakPolarHBondContact O-CD 3.24Å; T123-P188 WeakPolarHBondContact O-CG 3.4Å; T123-Y189 WeakPolarHBondContact OG1-CB 3.48Å
124C94.9Very high92.3Very high26 Ų2650.1 Ų50.118%0.17628%0.28CS..  trans-74.3120.2-178.4-177.70000111.9R120 I129 S130 V135R120-C124 WeakPolarHBondContact O-CB 3.47Å; R120-C124 PolarHBondContact O-N 3.35Å; C124-I129 VanDerWaalsContact SG-CG1 3.52Å; C124-S130 WeakPolarHBondContact O-CB 3.24Å; C124-V135 HydrophobicContact CB-CG1 3.79Å
125I94Very high92.1Very high28 Ų2850.1 Ų50.114%0.14428%0.28CS..  trans-102.3-1.8175.560.8172.2000113.5T123 P127 Y150 V178 I182 S186 P188T123-I125 PolarHBondContact O-N 2.91Å; I125-P127 WeakPolarHBondContact O-CD 3.39Å; I125-Y150 HydrophobicContact CD1-CD1 3.52Å; I125-Y150 HydrophobicContact CD1-CE1 3.71Å; I125-Y150 HydrophobicContact CD1-CG 4.39Å; I125-Y150 HydrophobicContact CG1-CD1 3.77Å; I125-Y150 HydrophobicContact CG1-CE1 3.95Å; I125-Y150 HydrophobicContact CG1-CG 4.23Å; I125-V178 HydrophobicContact CG2-CG1 3.75Å; I125-I182 HydrophobicContact CG2-CG1 4.16Å; I125-S186 WeakPolarHBondContact CD1-O 3.46Å; I125-P188 HydrophobicContact CD1-CG 4.2Å; I125-P188 HydrophobicContact CG1-CG 4.35Å; I125-P188 HydrophobicContact CG2-CG 3.84Å
126N93Very high91.7Very high10 Ų1052.2 Ų52.25%0.05329%0.294CS..  trans-73.4116175.8178.8-15.9000109.5E128 I129 S130 L142 Y150N126-E128 PolarHBondContact O-N 3.23Å; N126-E128 WeakPolarHBondContact OD1-CB 3.29Å; N126-E128 PolarHBondContact OD1-N 3.12Å; N126-I129 HydrophobicContact CB-CD1 4.1Å; N126-I129 HydrophobicContact CB-CG1 3.73Å; N126-I129 PolarHBondContact O-N 3.42Å; N126-S130 VanDerWaalsContact O-CB 3.24Å; N126-S130 WeakPolarHBondContact O-CB 3.43Å; N126-S130 PolarHBondContact O-N 2.95Å; N126-S130 PolarHBondContact O-OG 2.61Å; N126-L142 WeakPolarHBondContact ND2-CD2 3.23Å; N126-Y150 HydrophobicContact CB-CD2 3.78Å; N126-Y150 HydrophobicContact CB-CE2 3.84Å
127P91.7Very high91.2Very high87 Ų8753.2 Ų53.257%0.56530%0.299SS*.THydrogen-bonded Turntrans-66.9-21.3-174.628.3-35.7000113.9I125I125-P127 WeakPolarHBondContact O-CD 3.39Å
128E88.6Confident90.8Very high143 Ų14354.7 Ų54.767%0.66831%0.309SS*.THydrogen-bonded Turntrans-73.9-29.3179.3-62.1-178.6167.900112.3N126N126-E128 PolarHBondContact O-N 3.23Å; N126-E128 WeakPolarHBondContact OD1-CB 3.29Å; N126-E128 PolarHBondContact OD1-N 3.12Å
129I91.3Very high90.7Very high13 Ų1354.9 Ų54.97%0.06731%0.311CS..THydrogen-bonded Turntrans-117.6-21.8-172.363.5169.4000113.8C124 N126 S131 T132 C139 L142C124-I129 VanDerWaalsContact SG-CG1 3.52Å; N126-I129 HydrophobicContact CB-CD1 4.1Å; N126-I129 HydrophobicContact CB-CG1 3.73Å; N126-I129 PolarHBondContact O-N 3.42Å; I129-S131 PolarHBondContact O-N 3.07Å; I129-T132 WeakPolarHBondContact O-CB 3.43Å; I129-T132 PolarHBondContact O-N 2.93Å; I129-T132 PolarHBondContact O-OG1 3.43Å; I129-C139 HydrophobicContact CD1-CB 3.83Å; I129-L142 HydrophobicContact CD1-CD2 4.35Å; I129-L142 HydrophobicContact CG2-CD2 4.41Å
130S92Very high90.4Very high52 Ų5255.5 Ų55.536%0.36431%0.309SS..THydrogen-bonded Turntrans-63.2-27.1-175.261.30000113.4C124 N126C124-S130 WeakPolarHBondContact O-CB 3.24Å; N126-S130 VanDerWaalsContact O-CB 3.24Å; N126-S130 WeakPolarHBondContact O-CB 3.43Å; N126-S130 PolarHBondContact O-N 2.95Å; N126-S130 PolarHBondContact O-OG 2.61Å
131S89.8Confident89.8Confident103 Ų10357.5 Ų57.572%0.7232%0.323SS*.THydrogen-bonded Turntrans-92-0.2176.760.10000114.2I129I129-S131 PolarHBondContact O-N 3.07Å
132T90.1Very high89.4Confident37 Ų3751 Ų5123%0.22730%0.296CS..SBendtrans-72.8149.1179.863.40000111I129 N134 V135 S138I129-T132 WeakPolarHBondContact O-CB 3.43Å; I129-T132 PolarHBondContact O-N 2.93Å; I129-T132 PolarHBondContact O-OG1 3.43Å; T132-N134 PolarHBondContact O-N 3.17Å; T132-V135 WeakPolarHBondContact O-CG2 3.39Å; T132-V135 WeakPolarHBondContact OG1-CA 3.36Å; T132-V135 PolarHBondContact OG1-N 3.42Å; T132-S138 PolarHBondContact OG1-OG 3.06Å
133P86.5Confident88.9Confident144 Ų14447.9 Ų47.994%0.93528%0.282SS*.THydrogen-bonded Turntrans-62.9-30178.924-33.5000112.5
134N86.9Confident87.9Confident61 Ų6149.4 Ų49.433%0.32629%0.29SS..THydrogen-bonded Turntrans-126.282.3175.2-163.8-24.2000110.5T132 T136 D137 S138T132-N134 PolarHBondContact O-N 3.17Å; N134-T136 PolarHBondContact O-N 3.32Å; N134-T136 PolarHBondContact OD1-N 3.4Å; N134-D137 HydrophobicContact CB-CB 4.28Å; N134-D137 PolarHBondContact ND2-OD2 2.94Å; N134-D137 PolarHBondContact O-N 2.95Å; N134-D137 PolarHBondContact OD1-N 3.47Å; N134-D137 VanDerWaalsContact OD1-N 3.11Å; N134-S138 WeakPolarHBondContact O-CB 3.32Å; N134-S138 PolarHBondContact O-N 2.74Å; N134-S138 VanDerWaalsContact O-N 3.08Å; N134-S138 PolarHBondContact O-OG 2.78Å
135V92.6Very high86.8Confident8 Ų851.5 Ų51.55%0.04831%0.305CS..Hα-helixtrans-59.1-34.7178.4-175.10000111.3R120 C124 T132 C139R120-V135 HydrophobicContact CB-CG1 4.17Å; C124-V135 HydrophobicContact CB-CG1 3.79Å; T132-V135 WeakPolarHBondContact O-CG2 3.39Å; T132-V135 WeakPolarHBondContact OG1-CA 3.36Å; T132-V135 PolarHBondContact OG1-N 3.42Å; V135-C139 WeakPolarHBondContact O-CB 3.44Å; V135-C139 PolarHBondContact O-N 3.2Å
136T89Confident85.8Confident45 Ų4553.4 Ų53.428%0.27633%0.332SS..Hα-helixtrans-65.5-52-178.8-62.10000111.4N134 S138 C139 H140N134-T136 PolarHBondContact O-N 3.32Å; N134-T136 PolarHBondContact OD1-N 3.4Å; T136-S138 VanDerWaalsContact C-N 3.35Å; T136-S138 PolarHBondContact O-N 3.46Å; T136-C139 PolarHBondContact O-N 3.02Å; T136-H140 WeakPolarHBondContact O-CB 3.34Å; T136-H140 PolarHBondContact O-N 2.92Å
137D84.7Confident85Confident22 Ų2257.4 Ų57.412%0.11836%0.356CS..Hα-helixtrans-61.1-45.8177.5-72.8-5.8000110.7N134 C139 H140 N141 H368 R369N134-D137 HydrophobicContact CB-CB 4.28Å; N134-D137 PolarHBondContact ND2-OD2 2.94Å; N134-D137 PolarHBondContact O-N 2.95Å; N134-D137 PolarHBondContact OD1-N 3.47Å; N134-D137 VanDerWaalsContact OD1-N 3.11Å; D137-C139 PolarHBondContact O-N 3.02Å; D137-H140 PolarHBondContact O-N 3.47Å; D137-N141 VanDerWaalsContact O-CG 3.27Å; D137-N141 PolarHBondContact O-N 3.21Å; D137-N141 PolarHBondContact O-ND2 3.03Å; D137-H368 IonicContact OD1-CE1 3.59Å; D137-H368 IonicContact OD1-CG 3.95Å; D137-H368 IonicContact OD1-ND1 3.85Å; D137-H368 PolarHBondContact OD1-ND1 3.41Å; D137-R369 IonicContact OD2-CZ 3.13Å; D137-R369 IonicContact OD2-NE 3.76Å; D137-R369 IonicContact OD2-NH2 3.67Å; D137-R369 PolarHBondContact OD2-NH2 3.4Å
138S88.2Confident84.8Confident33 Ų3354.1 Ų54.123%0.23134%0.335CS..Hα-helixtrans-63.1-43-179.3-53.20000111.9T132 N134 T136 L142T132-S138 PolarHBondContact OG1-OG 3.06Å; N134-S138 WeakPolarHBondContact O-CB 3.32Å; N134-S138 PolarHBondContact O-N 2.74Å; N134-S138 VanDerWaalsContact O-N 3.08Å; N134-S138 PolarHBondContact O-OG 2.78Å; T136-S138 VanDerWaalsContact C-N 3.35Å; T136-S138 PolarHBondContact O-N 3.46Å; S138-L142 WeakPolarHBondContact O-CB 3.01Å; S138-L142 PolarHBondContact O-N 3.32Å
139C91Very high84.6Confident8 Ų849.5 Ų49.55%0.05432%0.321CS..Hα-helixtrans-61.3-46.3174.9178.80000110.9R120 I129 V135 T136 D137 N141 L142 L143R120-C139 PolarHBondContact NE-SG 3.49Å; I129-C139 HydrophobicContact CD1-CB 3.83Å; V135-C139 WeakPolarHBondContact O-CB 3.44Å; V135-C139 PolarHBondContact O-N 3.2Å; T136-C139 PolarHBondContact O-N 3.02Å; D137-C139 PolarHBondContact O-N 3.02Å; C139-N141 PolarHBondContact O-N 2.96Å; C139-L142 PolarHBondContact O-N 3.28Å; C139-L143 VanDerWaalsContact O-CG 3.24Å; C139-L143 WeakPolarHBondContact O-CG 3.49Å; C139-L143 PolarHBondContact O-N 3.16Å
140H84.2Confident84.5Confident48 Ų4851.6 Ų51.622%0.22233%0.328CS..Hα-helixtrans-64-43.7-178.3-156.392.9000112T136 D137 L142 L143 L144 H368T136-H140 WeakPolarHBondContact O-CB 3.34Å; T136-H140 PolarHBondContact O-N 2.92Å; D137-H140 PolarHBondContact O-N 3.47Å; H140-L142 VanDerWaalsContact C-N 3.29Å; H140-L142 PolarHBondContact O-N 3.24Å; H140-L143 PolarHBondContact O-N 2.95Å; H140-L143 VanDerWaalsContact O-N 3.15Å; H140-L144 WeakPolarHBondContact O-CG 3.4Å; H140-L144 PolarHBondContact O-N 3.32Å; H140-H368 HydrophobicContact CB-CB 3.84Å; H140-H368 AromaticContact CD2-CD2 3.47Å; H140-H368 PolarHBondContact CD2-CD2 3.21Å; H140-H368 VanDerWaalsContact CD2-CD2 3.47Å; H140-H368 AromaticContact CD2-CG 3.86Å; H140-H368 AromaticContact CE1-CD2 3.63Å; H140-H368 AromaticContact CG-CD2 3.22Å; H140-H368 AromaticContact CG-CG 3.64Å; H140-H368 AromaticContact ND1-CD2 3.34Å; H140-H368 PolarHBondContact ND1-CD2 3.38Å; H140-H368 VanDerWaalsContact ND1-CD2 3.34Å; H140-H368 AromaticContact ND1-NE2 3.83Å; H140-H368 AromaticContact NE2-CD2 3.7Å
141N79.3Confident83.9Confident75 Ų7551.6 Ų51.640%0.40133%0.325SS..Hα-helixtrans-61.8-38.1175.8-66.9-17.8000112.1D137 C139 L144 S145D137-N141 VanDerWaalsContact O-CG 3.27Å; D137-N141 PolarHBondContact O-N 3.21Å; D137-N141 PolarHBondContact O-ND2 3.03Å; C139-N141 PolarHBondContact O-N 2.96Å; N141-L144 PolarHBondContact O-N 3.37Å; N141-S145 PolarHBondContact O-N 2.92Å; N141-S145 PolarHBondContact O-OG 2.88Å
142L83.2Confident82.8Confident25 Ų2553 Ų5313%0.13132%0.323CS..Hα-helixtrans-68.3-34.3175.4-164.173.4000112.6N126 I129 S138 C139 H140 S145 G146 V147 C148N126-L142 WeakPolarHBondContact ND2-CD2 3.23Å; I129-L142 HydrophobicContact CD1-CD2 4.35Å; I129-L142 HydrophobicContact CG2-CD2 4.41Å; S138-L142 WeakPolarHBondContact O-CB 3.01Å; S138-L142 PolarHBondContact O-N 3.32Å; C139-L142 PolarHBondContact O-N 3.28Å; H140-L142 VanDerWaalsContact C-N 3.29Å; H140-L142 PolarHBondContact O-N 3.24Å; L142-S145 WeakPolarHBondContact CA-OG 3.24Å; L142-S145 PolarHBondContact O-OG 3.24Å; L142-G146 PolarHBondContact O-N 2.75Å; L142-V147 HydrophobicContact CD1-CB 4.23Å; L142-V147 HydrophobicContact CD1-CG2 3.6Å; L142-V147 HydrophobicContact CG-CG2 4.14Å; L142-V147 PolarHBondContact O-N 3.35Å; L142-V147 VanDerWaalsContact O-N 3.16Å; L142-C148 HydrophobicContact CD2-CB 3.62Å; L142-C148 HydrophobicContact CG-CB 3.98Å
143L81.8Confident81.4Confident36 Ų3653 Ų5319%0.18832%0.324CS..Hα-helixtrans-70.9-40.5174.7-67.9171.4000111.7C139 H140 S145 G146 C148 D151 F190C139-L143 VanDerWaalsContact O-CG 3.24Å; C139-L143 WeakPolarHBondContact O-CG 3.49Å; C139-L143 PolarHBondContact O-N 3.16Å; H140-L143 PolarHBondContact O-N 2.95Å; H140-L143 VanDerWaalsContact O-N 3.15Å; L143-S145 PolarHBondContact O-N 3.04Å; L143-G146 PolarHBondContact O-N 3.28Å; L143-C148 HydrophobicContact CD2-CB 4.06Å; L143-D151 HydrophobicContact CD2-CB 3.55Å; L143-D151 WeakPolarHBondContact CD2-OD1 3.38Å; L143-D151 VanDerWaalsContact CD2-OD2 3.28Å; L143-D151 WeakPolarHBondContact CD2-OD2 3.28Å; L143-F190 HydrophobicContact CD1-CE2 3.97Å; L143-F190 HydrophobicContact CD1-CZ 3.67Å; L143-F190 HydrophobicContact CD2-CE2 4.19Å
144L72.9Confident80.6Confident34 Ų3455.1 Ų55.118%0.17831%0.313CS..Hα-helixtrans-62.9-25176.8-75.9175.5000113.6H140 N141 K365H140-L144 WeakPolarHBondContact O-CG 3.4Å; H140-L144 PolarHBondContact O-N 3.32Å; N141-L144 PolarHBondContact O-N 3.37Å; L144-K365 HydrophobicContact CD2-CD 4.44Å; L144-K365 PolarHBondContact O-NZ 3.15Å
145S73.1Confident80.1Confident70 Ų7058.3 Ų58.349%0.4932%0.324SS..THydrogen-bonded Turntrans-93.6-1.5174.845.40000112.9N141 L142 L143 V147N141-S145 PolarHBondContact O-N 2.92Å; N141-S145 PolarHBondContact O-OG 2.88Å; L142-S145 WeakPolarHBondContact CA-OG 3.24Å; L142-S145 PolarHBondContact O-OG 3.24Å; L143-S145 PolarHBondContact O-N 3.04Å; S145-V147 VanDerWaalsContact C-N 3.27Å; S145-V147 PolarHBondContact O-N 3.48Å; S145-V147 WeakPolarHBondContact OG-CG2 3.38Å
146G72.5Confident79.6Confident68 Ų6866 Ų6670%0.70136%0.357SS*.THydrogen-bonded Turntrans69.216.5176.500000115.2L142 L143L142-G146 PolarHBondContact O-N 2.75Å; L143-G146 PolarHBondContact O-N 3.28Å
147V75.5Confident79.6Confident93 Ų9367 Ų6756%0.56437%0.366SS*.  trans-105.5-2.3-166.5-92.80000115.2L142 S145 A149L142-V147 HydrophobicContact CD1-CB 4.23Å; L142-V147 HydrophobicContact CD1-CG2 3.6Å; L142-V147 HydrophobicContact CG-CG2 4.14Å; L142-V147 PolarHBondContact O-N 3.35Å; L142-V147 VanDerWaalsContact O-N 3.16Å; S145-V147 VanDerWaalsContact C-N 3.27Å; S145-V147 PolarHBondContact O-N 3.48Å; S145-V147 WeakPolarHBondContact OG-CG2 3.38Å; V147-A149 PolarHBondContact O-N 3.42Å
148C87.3Confident79.8Confident19 Ų1968.2 Ų68.213%0.12837%0.372CS..  trans-70.1109.5179-173.70000111.3L142 L143 Y150 D151L142-C148 HydrophobicContact CD2-CB 3.62Å; L142-C148 HydrophobicContact CG-CB 3.98Å; L143-C148 HydrophobicContact CD2-CB 4.06Å; C148-Y150 PolarHBondContact O-N 2.93Å; C148-D151 HydrophobicContact CB-CB 3.97Å; C148-D151 PolarHBondContact O-N 3.37Å; C148-D151 VanDerWaalsContact O-N 3.17Å
149A85.1Confident79.9Confident45 Ų4568.1 Ų68.137%0.37237%0.369SS..THydrogen-bonded Turntrans-60.1-12.5-178.600000115.1V147V147-A149 PolarHBondContact O-N 3.42Å
150Y89Confident79.9Confident57 Ų5770.6 Ų70.622%0.22439%0.387CS..THydrogen-bonded Turntrans-108.8-12.5-176.4-57.5-90.7000114I125 N126 C148 L152 S186 C187I125-Y150 HydrophobicContact CD1-CD1 3.52Å; I125-Y150 HydrophobicContact CD1-CE1 3.71Å; I125-Y150 HydrophobicContact CD1-CG 4.39Å; I125-Y150 HydrophobicContact CG1-CD1 3.77Å; I125-Y150 HydrophobicContact CG1-CE1 3.95Å; I125-Y150 HydrophobicContact CG1-CG 4.23Å; N126-Y150 HydrophobicContact CB-CD2 3.78Å; N126-Y150 HydrophobicContact CB-CE2 3.84Å; C148-Y150 PolarHBondContact O-N 2.93Å; Y150-L152 PolarHBondContact O-N 3.49Å; Y150-S186 CarbonylContact O-C 3.56Å; Y150-C187 WeakPolarHBondContact O-CB 3.35Å; Y150-C187 PolarHBondContact O-N 3.29Å
151D78.8Confident80.4Confident53 Ų5374.4 Ų74.428%0.28340%0.399SS..THydrogen-bonded Turntrans-59.8-48.7-170.8178.637.1000112.6L143 C148 F190L143-D151 HydrophobicContact CD2-CB 3.55Å; L143-D151 WeakPolarHBondContact CD2-OD1 3.38Å; L143-D151 VanDerWaalsContact CD2-OD2 3.28Å; L143-D151 WeakPolarHBondContact CD2-OD2 3.28Å; C148-D151 HydrophobicContact CB-CB 3.97Å; C148-D151 PolarHBondContact O-N 3.37Å; C148-D151 VanDerWaalsContact O-N 3.17Å; D151-F190 VanDerWaalsContact OD1-CD2 3.23Å; D151-F190 WeakPolarHBondContact OD1-CD2 3.31Å; D151-F190 WeakPolarHBondContact OD1-CE2 3.31Å
152L68.3Low81Confident132 Ų13271.5 Ų71.569%0.69139%0.386SS*.SBendtrans-103.1132.4175.5-69.9167.8000110.6Y150 R154Y150-L152 PolarHBondContact O-N 3.49Å; L152-R154 PolarHBondContact O-N 3.45Å
153P60.7Low81.5Confident38 Ų3871 Ų7125%0.24738%0.383CS..  trans-64.7108.117425.7-31.7000109.1K155 K156 L159 S186P153-K155 PolarHBondContact O-N 3.44Å; P153-K155 VanDerWaalsContact O-N 3.12Å; P153-K156 HydrophobicContact CG-CG 4.18Å; P153-L159 HydrophobicContact CB-CB 4.39Å; P153-L159 HydrophobicContact CB-CD2 3.88Å; P153-L159 HydrophobicContact CG-CD2 4.05Å; P153-S186 WeakPolarHBondContact CA-OG 3.35Å; P153-S186 WeakPolarHBondContact CB-OG 3.37Å
154R68.8Low82.1Confident187 Ų18772.6 Ų72.671%0.70639%0.393SS*.SBendtrans-57-28.9176.9-66.5-174.9179.1-174.2-2.3112.2L152 P185L152-R154 PolarHBondContact O-N 3.45Å; R154-P185 HydrophobicContact CB-CG 4.24Å; R154-P185 HydrophobicContact CG-CG 4.42Å
155K76.2Confident83.1Confident129 Ų12979.3 Ų79.356%0.56142%0.415SS*.  trans-13595.4175.6-70.2-177177.4-179.10111P153 S157 D158 L159P153-K155 PolarHBondContact O-N 3.44Å; P153-K155 VanDerWaalsContact O-N 3.12Å; K155-S157 PolarHBondContact O-N 2.87Å; K155-S157 VanDerWaalsContact O-N 3.14Å; K155-D158 HydrophobicContact CB-CB 4.17Å; K155-D158 WeakPolarHBondContact CB-OD2 3.37Å; K155-D158 WeakPolarHBondContact CD-OD2 3.28Å; K155-D158 PolarHBondContact O-N 3.24Å; K155-L159 PolarHBondContact O-N 3.46Å
156K83.2Confident84.1Confident169 Ų16976.6 Ų76.674%0.73540%0.395SS*.Hα-helixtrans-53.4-33.6177.7-69.8-175.8179.5179.50113.4P153 D158 S160P153-K156 HydrophobicContact CG-CG 4.18Å; K156-D158 PolarHBondContact O-N 3.31Å; K156-S160 WeakPolarHBondContact O-CB 3.43Å; K156-S160 PolarHBondContact O-N 3.15Å
157S88.8Confident85.1Confident67 Ų6776 Ų7647%0.46938%0.376SS..Hα-helixtrans-64.3-36.9177.756.90000113.5K155 R161K155-S157 PolarHBondContact O-N 2.87Å; K155-S157 VanDerWaalsContact O-N 3.14Å; S157-R161 WeakPolarHBondContact O-CB 3.48Å; S157-R161 PolarHBondContact O-N 3.49Å
158D88.4Confident85.9Confident46 Ų4680.1 Ų80.125%0.24638%0.382CS..Hα-helixtrans-74.6-40.9-178.3-65.2-17000110.1K155 K156 R161 A162 I184K155-D158 HydrophobicContact CB-CB 4.17Å; K155-D158 WeakPolarHBondContact CB-OD2 3.37Å; K155-D158 WeakPolarHBondContact CD-OD2 3.28Å; K155-D158 PolarHBondContact O-N 3.24Å; K156-D158 PolarHBondContact O-N 3.31Å; D158-R161 PolarHBondContact O-N 2.78Å; D158-R161 IonicContact OD1-CZ 3.11Å; D158-R161 IonicContact OD1-NH1 2.91Å; D158-R161 PolarHBondContact OD1-NH1 3.43Å; D158-R161 IonicContact OD1-NH2 2.73Å; D158-A162 WeakPolarHBondContact O-CB 3.42Å; D158-A162 PolarHBondContact O-N 2.98Å; D158-I184 HydrophobicContact CB-CG2 4.42Å
159L89.8Confident86.1Confident31 Ų3183.1 Ų83.116%0.16240%0.403CS..Hα-helixtrans-57.1-51.5170.5179.360.8000111.3P153 K155 R161 A162 V163 L181P153-L159 HydrophobicContact CB-CB 4.39Å; P153-L159 HydrophobicContact CB-CD2 3.88Å; P153-L159 HydrophobicContact CG-CD2 4.05Å; K155-L159 PolarHBondContact O-N 3.46Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 3.47Å; L159-A162 PolarHBondContact O-N 3.02Å; L159-V163 HydrophobicContact CD1-CG2 4.24Å; L159-V163 WeakPolarHBondContact O-CG2 3.34Å; L159-V163 PolarHBondContact O-N 3.45Å; L159-L181 HydrophobicContact CD1-CD2 3.5Å
160S91.8Very high86.1Confident61 Ų6181.4 Ų81.443%0.42739%0.389SS..Hα-helixtrans-56.2-46.4178.1-169.30000111.4K156 A162 V163 D164K156-S160 WeakPolarHBondContact O-CB 3.43Å; K156-S160 PolarHBondContact O-N 3.15Å; S160-A162 VanDerWaalsContact C-N 3.31Å; S160-A162 PolarHBondContact O-N 3.28Å; S160-V163 PolarHBondContact O-N 3.4Å; S160-D164 WeakPolarHBondContact O-CB 3.44Å; S160-D164 PolarHBondContact O-N 2.98Å
161R93.1Very high86.5Confident127 Ų12778.8 Ų78.848%0.47938%0.379SS..Hα-helixtrans-64.9-35.1-178.8-165.2-177.3-56.1103.50.6112.7S157 D158 L159 R165S157-R161 WeakPolarHBondContact O-CB 3.48Å; S157-R161 PolarHBondContact O-N 3.49Å; D158-R161 PolarHBondContact O-N 2.78Å; D158-R161 IonicContact OD1-CZ 3.11Å; D158-R161 IonicContact OD1-NH1 2.91Å; D158-R161 PolarHBondContact OD1-NH1 3.43Å; D158-R161 IonicContact OD1-NH2 2.73Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 3.47Å; R161-R165 WeakPolarHBondContact O-CB 3.27Å; R161-R165 PolarHBondContact O-N 2.9Å
162A93.4Very high87.3Confident15 Ų1576.4 Ų76.412%0.12437%0.366CS..Hα-helixtrans-70.1-44.8175.900000111.9D158 L159 S160 R165 L166 L181 I184D158-A162 WeakPolarHBondContact O-CB 3.42Å; D158-A162 PolarHBondContact O-N 2.98Å; L159-A162 PolarHBondContact O-N 3.02Å; S160-A162 VanDerWaalsContact C-N 3.31Å; S160-A162 PolarHBondContact O-N 3.28Å; A162-R165 PolarHBondContact O-N 2.89Å; A162-L166 WeakPolarHBondContact O-CB 3.41Å; A162-L166 PolarHBondContact O-N 3.43Å; A162-L181 HydrophobicContact CB-CD2 4.31Å; A162-I184 HydrophobicContact CB-CD1 3.28Å
163V93.2Very high88.6Confident13 Ų1371.3 Ų71.38%0.07934%0.34CS..Hα-helixtrans-59.8-47.4173.1173.50000110.4L159 S160 R165 L166 D167 L195L159-V163 HydrophobicContact CD1-CG2 4.24Å; L159-V163 WeakPolarHBondContact O-CG2 3.34Å; L159-V163 PolarHBondContact O-N 3.45Å; S160-V163 PolarHBondContact O-N 3.4Å; V163-R165 PolarHBondContact O-N 2.98Å; V163-L166 WeakPolarHBondContact O-CA 3.45Å; V163-L166 WeakPolarHBondContact O-CB 3.35Å; V163-L166 PolarHBondContact O-N 2.96Å; V163-D167 WeakPolarHBondContact O-CB 3.47Å; V163-D167 PolarHBondContact O-N 3.14Å; V163-L195 HydrophobicContact CG1-CD1 4.33Å; V163-L195 HydrophobicContact CG1-CD2 3.66Å; V163-L195 HydrophobicContact CG2-CD1 4.39Å; V163-L195 HydrophobicContact CG2-CD2 4.31Å
164D94Very high90.2Very high71 Ų7169.8 Ų69.838%0.3833%0.329SS..Hα-helixtrans-60.9-35.1178.1-66.4-27.6000112.3S160 R168S160-D164 WeakPolarHBondContact O-CB 3.44Å; S160-D164 PolarHBondContact O-N 2.98Å; D164-R168 WeakPolarHBondContact O-CB 3.24Å; D164-R168 VanDerWaalsContact O-CG 3.29Å; D164-R168 WeakPolarHBondContact O-CG 3.43Å; D164-R168 PolarHBondContact O-N 2.77Å; D164-R168 VanDerWaalsContact O-N 3.16Å; D164-R168 PolarHBondContact O-NE 3.01Å; D164-R168 VanDerWaalsContact O-NE 3.09Å; D164-R168 PolarHBondContact O-NH2 3.34Å
165R94.6Very high91.4Very high174 Ų17466.2 Ų66.266%0.65732%0.321SS*.Hα-helixtrans-68.5-45.4174.6-176.2-178.3-71.6169.7-3.3110.4R161 A162 V163 R168 S169R161-R165 WeakPolarHBondContact O-CB 3.27Å; R161-R165 PolarHBondContact O-N 2.9Å; A162-R165 PolarHBondContact O-N 2.89Å; V163-R165 PolarHBondContact O-N 2.98Å; R165-R168 PolarHBondContact O-N 2.65Å; R165-S169 PolarHBondContact O-N 3Å; R165-S169 VanDerWaalsContact O-N 3.12Å; R165-S169 PolarHBondContact O-OG 3.38Å; R165-S169 VanDerWaalsContact O-OG 3.05Å
166L93.8Very high92.3Very high13 Ų1363.1 Ų63.17%0.06831%0.311CS..Hα-helixtrans-60.7-47.1179.3-172.667.3000111.2A162 V163 R168 S169 G170 W172 D176 L177 A180A162-L166 WeakPolarHBondContact O-CB 3.41Å; A162-L166 PolarHBondContact O-N 3.43Å; V163-L166 WeakPolarHBondContact O-CA 3.45Å; V163-L166 WeakPolarHBondContact O-CB 3.35Å; V163-L166 PolarHBondContact O-N 2.96Å; L166-R168 PolarHBondContact O-N 2.92Å; L166-S169 WeakPolarHBondContact CA-OG 3.45Å; L166-S169 CarbonylContact O-C 3.56Å; L166-S169 PolarHBondContact O-N 2.95Å; L166-S169 VanDerWaalsContact O-N 3.17Å; L166-S169 PolarHBondContact O-OG 3.07Å; L166-G170 PolarHBondContact O-N 3.16Å; L166-W172 HydrophobicContact CD1-CB 3.75Å; L166-W172 HydrophobicContact CD1-CG 4.04Å; L166-W172 HydrophobicContact CD2-CB 4.23Å; L166-W172 HydrophobicContact CD2-CD2 3.67Å; L166-W172 HydrophobicContact CD2-CE3 4.22Å; L166-W172 HydrophobicContact CD2-CG 3.69Å; L166-W172 HydrophobicContact CD2-CZ2 4.48Å; L166-W172 HydrophobicContact CG-CB 3.88Å; L166-W172 VanDerWaalsContact CG-CD1 3.49Å; L166-W172 HydrophobicContact CG-CD2 4.12Å; L166-W172 HydrophobicContact CG-CG 3.57Å; L166-D176 HydrophobicContact CD1-CB 4.14Å; L166-L177 HydrophobicContact CD2-CB 4.19Å; L166-L177 HydrophobicContact CD2-CD1 3.69Å; L166-A180 HydrophobicContact CD1-CB 4.09Å; L166-A180 HydrophobicContact CD2-CB 4.45Å
167D93.5Very high92.9Very high57 Ų5755.2 Ų55.231%0.30528%0.276SS..Hα-helixtrans-63.5-40.4177.7-74.6-12.4000112.1V163 S169 G170 W172V163-D167 WeakPolarHBondContact O-CB 3.47Å; V163-D167 PolarHBondContact O-N 3.14Å; D167-S169 VanDerWaalsContact C-N 3.27Å; D167-S169 PolarHBondContact O-N 3.48Å; D167-G170 PolarHBondContact O-N 3.1Å; D167-W172 PolarHBondContact OD1-NE1 2.69Å
168R92.6Very high93.2Very high179 Ų17953.2 Ų53.268%0.67526%0.261SS*.Hα-helixtrans-63.8-31.8174.6-80.3-177.5-68-121.9-7.3113.4D164 R165 L166 G170D164-R168 WeakPolarHBondContact O-CB 3.24Å; D164-R168 VanDerWaalsContact O-CG 3.29Å; D164-R168 WeakPolarHBondContact O-CG 3.43Å; D164-R168 PolarHBondContact O-N 2.77Å; D164-R168 VanDerWaalsContact O-N 3.16Å; D164-R168 PolarHBondContact O-NE 3.01Å; D164-R168 VanDerWaalsContact O-NE 3.09Å; D164-R168 PolarHBondContact O-NH2 3.34Å; R165-R168 PolarHBondContact O-N 2.65Å; L166-R168 PolarHBondContact O-N 2.92Å; R168-G170 VanDerWaalsContact C-N 3.32Å
169S90.3Very high93.6Very high82 Ų8257 Ų5757%0.57328%0.277SS*.THydrogen-bonded Turntrans-87.2-1.6173.452.50000113.7R165 L166 D167R165-S169 PolarHBondContact O-N 3Å; R165-S169 VanDerWaalsContact O-N 3.12Å; R165-S169 PolarHBondContact O-OG 3.38Å; R165-S169 VanDerWaalsContact O-OG 3.05Å; L166-S169 WeakPolarHBondContact CA-OG 3.45Å; L166-S169 CarbonylContact O-C 3.56Å; L166-S169 PolarHBondContact O-N 2.95Å; L166-S169 VanDerWaalsContact O-N 3.17Å; L166-S169 PolarHBondContact O-OG 3.07Å; D167-S169 VanDerWaalsContact C-N 3.27Å; D167-S169 PolarHBondContact O-N 3.48Å
170G86.6Confident93.8Very high8 Ų857 Ų578%0.08228%0.282CS..  trans-66175.5-168.500000115.6L166 D167 R168L166-G170 PolarHBondContact O-N 3.16Å; D167-G170 PolarHBondContact O-N 3.1Å; R168-G170 VanDerWaalsContact C-N 3.32Å
171P96.1Very high93.8Very high3 Ų354.2 Ų54.22%0.01926%0.262CS..SBendcis-74158.4-034.4-40.3000111.1I101 L104 R105 K110 M114I101-P171 HydrophobicContact CG2-CB 4.04Å; I101-P171 HydrophobicContact CG2-CG 4.07Å; L104-P171 HydrophobicContact CB-CG 4.28Å; L104-P171 HydrophobicContact CD2-CB 3.8Å; L104-P171 HydrophobicContact CD2-CG 4.19Å; L104-P171 HydrophobicContact CG-CB 4.25Å; L104-P171 HydrophobicContact CG-CG 4.09Å; R105-P171 HydrophobicContact CB-CG 3.74Å; R105-P171 HydrophobicContact CG-CG 4.36Å; R105-P171 PolarHBondContact NH2-O 3.04Å; K110-P171 VanDerWaalsContact O-CD 3.31Å; K110-P171 WeakPolarHBondContact O-CD 3.3Å; M114-P171 HydrophobicContact SD-CB 3.47Å; M114-P171 WeakPolarHBondContact SD-CB 3.49Å
172W95.7Very high93.8Very high3 Ų352.3 Ų52.31%0.01126%0.261CS..  trans-122.8150.3-172.844.9-96.9000111M114 I116 L166 D167 D176 L177 L195M114-W172 HydrophobicContact CE-CD2 4.4Å; M114-W172 HydrophobicContact CE-CE3 4.46Å; M114-W172 WeakPolarHBondContact CE-O 3.33Å; M114-W172 HydrophobicContact CG-CZ2 4.41Å; M114-W172 WeakPolarHBondContact O-CZ2 3.45Å; I116-W172 HydrophobicContact CB-CZ3 4.37Å; I116-W172 HydrophobicContact CD1-CE3 4.41Å; I116-W172 HydrophobicContact CD1-CZ3 4.45Å; I116-W172 WeakPolarHBondContact CD1-O 3.42Å; I116-W172 HydrophobicContact CG1-CE3 4.46Å; I116-W172 HydrophobicContact CG1-CZ3 4.06Å; L166-W172 HydrophobicContact CD1-CB 3.75Å; L166-W172 HydrophobicContact CD1-CG 4.04Å; L166-W172 HydrophobicContact CD2-CB 4.23Å; L166-W172 HydrophobicContact CD2-CD2 3.67Å; L166-W172 HydrophobicContact CD2-CE3 4.22Å; L166-W172 HydrophobicContact CD2-CG 3.69Å; L166-W172 HydrophobicContact CD2-CZ2 4.48Å; L166-W172 HydrophobicContact CG-CB 3.88Å; L166-W172 VanDerWaalsContact CG-CD1 3.49Å; L166-W172 HydrophobicContact CG-CD2 4.12Å; L166-W172 HydrophobicContact CG-CG 3.57Å; D167-W172 PolarHBondContact OD1-NE1 2.69Å; W172-D176 WeakPolarHBondContact CA-OD2 3.41Å; W172-D176 HydrophobicContact CB-CB 3.79Å; W172-L177 HydrophobicContact CE3-CB 3.97Å; W172-L177 HydrophobicContact CH2-CD1 4.48Å; W172-L177 HydrophobicContact CH2-CD2 4.35Å; W172-L177 HydrophobicContact CZ3-CB 3.96Å; W172-L177 HydrophobicContact CZ3-CD1 4.4Å; W172-L177 HydrophobicContact CZ3-CD2 3.96Å; W172-L177 HydrophobicContact CZ3-CG 4.32Å; W172-L195 HydrophobicContact CH2-CD1 4.04Å; W172-L195 HydrophobicContact CZ2-CD1 4.02Å
173D95.4Very high93.6Very high25 Ų2556.7 Ų56.713%0.13429%0.288CS..  trans-98.3-174.7170.165.520.9000112.7I116 E175 D176 L177I116-D173 HydrophobicContact CD1-CB 4.49Å; D173-E175 VanDerWaalsContact C-N 3.31Å; D173-E175 PolarHBondContact OD1-N 3.38Å; D173-D176 PolarHBondContact N-OD2 2.9Å; D173-D176 PolarHBondContact O-N 3.13Å; D173-D176 VanDerWaalsContact OD1-CG 3.25Å; D173-D176 PolarHBondContact OD1-N 3.27Å; D173-L177 PolarHBondContact O-N 3Å; D173-L177 VanDerWaalsContact O-N 3.09Å
174I94.4Very high93.3Very high5 Ų557.3 Ų57.33%0.02629%0.29CS..Hα-helixtrans-65.7-40.1-176.7-67.6158.7000110.2H94 I116 H122 T123 L177 V178H94-I174 HydrophobicContact CB-CD1 4.09Å; H94-I174 VanDerWaalsContact ND1-CD1 3.27Å; H94-I174 WeakPolarHBondContact ND1-CD1 3.45Å; I116-I174 HydrophobicContact CB-CG1 4.06Å; I116-I174 HydrophobicContact CD1-CG1 4.46Å; I116-I174 HydrophobicContact CG2-CD1 3.72Å; I116-I174 HydrophobicContact CG2-CG1 3.58Å; H122-I174 HydrophobicContact CB-CG2 4.49Å; T123-I174 HydrophobicContact CG2-CG2 3.88Å; I174-L177 PolarHBondContact O-N 3.34Å; I174-V178 HydrophobicContact CG2-CG2 4.3Å; I174-V178 VanDerWaalsContact O-CG2 3.31Å; I174-V178 WeakPolarHBondContact O-CG2 3.26Å; I174-V178 PolarHBondContact O-N 3.33Å
175E94.8Very high92.8Very high113 Ų11356.2 Ų56.253%0.52829%0.287SS..Hα-helixtrans-62.6-43.9178.3-66.876.4-173.500110.9D173 L177 V178 Q179D173-E175 VanDerWaalsContact C-N 3.31Å; D173-E175 PolarHBondContact OD1-N 3.38Å; E175-L177 PolarHBondContact O-N 3.04Å; E175-V178 PolarHBondContact O-N 3.22Å; E175-Q179 VanDerWaalsContact O-CB 3.3Å; E175-Q179 WeakPolarHBondContact O-CB 3.42Å; E175-Q179 PolarHBondContact O-N 3.4Å
176D95.4Very high92.6Very high64 Ų6448 Ų4834%0.34226%0.257SS..Hα-helixtrans-58.5-46.1173.8-68.3-35.2000111.7R105 L166 W172 D173 Q179 A180R105-D176 IonicContact NH2-OD2 3.93Å; L166-D176 HydrophobicContact CD1-CB 4.14Å; W172-D176 WeakPolarHBondContact CA-OD2 3.41Å; W172-D176 HydrophobicContact CB-CB 3.79Å; D173-D176 PolarHBondContact N-OD2 2.9Å; D173-D176 PolarHBondContact O-N 3.13Å; D173-D176 VanDerWaalsContact OD1-CG 3.25Å; D173-D176 PolarHBondContact OD1-N 3.27Å; D176-Q179 PolarHBondContact O-N 3.18Å; D176-A180 WeakPolarHBondContact O-CB 3.4Å; D176-A180 PolarHBondContact O-N 3.46Å
177L95.4Very high92.5Very high2 Ų248.3 Ų48.31%0.0126%0.259CS..Hα-helixtrans-62.1-47.8177.7175.968000111.8L166 W172 D173 I174 E175 Q179 A180 L181L166-L177 HydrophobicContact CD2-CB 4.19Å; L166-L177 HydrophobicContact CD2-CD1 3.69Å; W172-L177 HydrophobicContact CE3-CB 3.97Å; W172-L177 HydrophobicContact CH2-CD1 4.48Å; W172-L177 HydrophobicContact CH2-CD2 4.35Å; W172-L177 HydrophobicContact CZ3-CB 3.96Å; W172-L177 HydrophobicContact CZ3-CD1 4.4Å; W172-L177 HydrophobicContact CZ3-CD2 3.96Å; W172-L177 HydrophobicContact CZ3-CG 4.32Å; D173-L177 PolarHBondContact O-N 3Å; D173-L177 VanDerWaalsContact O-N 3.09Å; I174-L177 PolarHBondContact O-N 3.34Å; E175-L177 PolarHBondContact O-N 3.04Å; L177-Q179 VanDerWaalsContact C-N 3.34Å; L177-Q179 PolarHBondContact O-N 2.71Å; L177-A180 PolarHBondContact O-N 2.85Å; L177-L181 HydrophobicContact CD1-CD1 3.81Å; L177-L181 HydrophobicContact CD1-CG 4.33Å; L177-L181 HydrophobicContact CG-CD1 4.18Å; L177-L181 WeakPolarHBondContact O-CG 3.36Å; L177-L181 PolarHBondContact O-N 2.6Å
178V95.5Very high92.6Very high26 Ų2645.6 Ų45.616%0.15825%0.245CC..Hα-helixtrans-60-48.5178.8169.80000109.5T123 I125 I174 E175 A180 L181 I182 P188T123-V178 HydrophobicContact CG2-CG2 4.39Å; I125-V178 HydrophobicContact CG2-CG1 3.75Å; I174-V178 HydrophobicContact CG2-CG2 4.3Å; I174-V178 VanDerWaalsContact O-CG2 3.31Å; I174-V178 WeakPolarHBondContact O-CG2 3.26Å; I174-V178 PolarHBondContact O-N 3.33Å; E175-V178 PolarHBondContact O-N 3.22Å; V178-A180 VanDerWaalsContact C-N 3.31Å; V178-A180 PolarHBondContact O-N 2.77Å; V178-L181 PolarHBondContact O-N 3.38Å; V178-L181 VanDerWaalsContact O-N 3.07Å; V178-I182 HydrophobicContact CG1-CD1 4.46Å; V178-I182 HydrophobicContact CG1-CG1 4.46Å; V178-I182 WeakPolarHBondContact O-CG1 3.43Å; V178-I182 PolarHBondContact O-N 2.91Å; V178-P188 HydrophobicContact CG2-CB 4Å; V178-P188 HydrophobicContact CG2-CG 4.24Å
179Q95.1Very high92.6Very high125 Ų12537.6 Ų37.658%0.58422%0.215SC*.Hα-helixtrans-61.7-38.6-179.4-172.660.443.900112.6E175 D176 L177 L181E175-Q179 VanDerWaalsContact O-CB 3.3Å; E175-Q179 WeakPolarHBondContact O-CB 3.42Å; E175-Q179 PolarHBondContact O-N 3.4Å; D176-Q179 PolarHBondContact O-N 3.18Å; L177-Q179 VanDerWaalsContact C-N 3.34Å; L177-Q179 PolarHBondContact O-N 2.71Å; Q179-L181 PolarHBondContact O-N 3.47Å
180A94.1Very high92.6Very high32 Ų3236.5 Ų36.526%0.26420%0.2SC..Hα-helixtrans-66-27.4176.800000113.1L166 D176 L177 V178L166-A180 HydrophobicContact CD1-CB 4.09Å; L166-A180 HydrophobicContact CD2-CB 4.45Å; D176-A180 WeakPolarHBondContact O-CB 3.4Å; D176-A180 PolarHBondContact O-N 3.46Å; L177-A180 PolarHBondContact O-N 2.85Å; V178-A180 VanDerWaalsContact C-N 3.31Å; V178-A180 PolarHBondContact O-N 2.77Å
181L92.7Very high92.9Very high1 Ų136.5 Ų36.51%0.00520%0.199CC..Hα-helixtrans-99.4-14.7-176.3-65.8-179.2000114.3L159 A162 L177 V178 Q179 P183 I184 P188 C191L159-L181 HydrophobicContact CD1-CD2 3.5Å; A162-L181 HydrophobicContact CB-CD2 4.31Å; L177-L181 HydrophobicContact CD1-CD1 3.81Å; L177-L181 HydrophobicContact CD1-CG 4.33Å; L177-L181 HydrophobicContact CG-CD1 4.18Å; L177-L181 WeakPolarHBondContact O-CG 3.36Å; L177-L181 PolarHBondContact O-N 2.6Å; V178-L181 PolarHBondContact O-N 3.38Å; V178-L181 VanDerWaalsContact O-N 3.07Å; Q179-L181 PolarHBondContact O-N 3.47Å; L181-P183 VanDerWaalsContact C-CD 3.41Å; L181-P183 VanDerWaalsContact C-N 3.31Å; L181-I184 HydrophobicContact CD2-CD1 4.48Å; L181-I184 CarbonylContact O-C 3.59Å; L181-I184 PolarHBondContact O-N 3.05Å; L181-P188 HydrophobicContact CB-CG 3.99Å; L181-P188 HydrophobicContact CD1-CB 3.93Å; L181-P188 HydrophobicContact CD1-CG 4.02Å; L181-C191 HydrophobicContact CD1-CB 3.74Å
182I92.3Very high92.8Very high87 Ų8736.4 Ų36.445%0.44620%0.198SC..THydrogen-bonded Turntrans-48.3-44.7173.7-75.2167.7000113.3I125 V178 I184I125-I182 HydrophobicContact CG2-CG1 4.16Å; V178-I182 HydrophobicContact CG1-CD1 4.46Å; V178-I182 HydrophobicContact CG1-CG1 4.46Å; V178-I182 WeakPolarHBondContact O-CG1 3.43Å; V178-I182 PolarHBondContact O-N 2.91Å; I182-I184 PolarHBondContact O-N 2.82Å
183P90.4Very high92.6Very high107 Ų10738.4 Ų38.470%0.69521%0.205SC*.THydrogen-bonded Turntrans-72.4-6.3-179-17.232.6000114.1L181L181-P183 VanDerWaalsContact C-CD 3.41Å; L181-P183 VanDerWaalsContact C-N 3.31Å
184I87.5Confident92.3Very high26 Ų2640.5 Ų40.513%0.13322%0.222CC..SBendtrans-118.1134.6-172.5-56.3175.9000107.9D158 A162 L181 I182 S186D158-I184 HydrophobicContact CB-CG2 4.42Å; A162-I184 HydrophobicContact CB-CD1 3.28Å; L181-I184 HydrophobicContact CD2-CD1 4.48Å; L181-I184 CarbonylContact O-C 3.59Å; L181-I184 PolarHBondContact O-N 3.05Å; I182-I184 PolarHBondContact O-N 2.82Å; I184-S186 WeakPolarHBondContact CG2-OG 3.23Å; I184-S186 PolarHBondContact O-N 3.01Å
185P83Confident92.2Very high49 Ų4941.6 Ų41.632%0.31823%0.228SC..SBendtrans-73.571.6174.532.3-35.5000109.6R154R154-P185 HydrophobicContact CB-CG 4.24Å; R154-P185 HydrophobicContact CG-CG 4.42Å
186S89.8Confident92.1Very high2 Ų236.5 Ų36.51%0.01421%0.205CC..  trans-147.9128.1-178.8-65.50000110.2I125 Y150 P153 I184 P188I125-S186 WeakPolarHBondContact CD1-O 3.46Å; Y150-S186 CarbonylContact O-C 3.56Å; P153-S186 WeakPolarHBondContact CA-OG 3.35Å; P153-S186 WeakPolarHBondContact CB-OG 3.37Å; I184-S186 WeakPolarHBondContact CG2-OG 3.23Å; I184-S186 PolarHBondContact O-N 3.01Å; S186-P188 VanDerWaalsContact O-CD 3.32Å; S186-P188 WeakPolarHBondContact O-CD 3.06Å
187C92.5Very high91.9Very high18 Ų1842 Ų4212%0.12222%0.221CC..  trans-72119-175.6-176.70000111.5Y150 Y189 F190 C191Y150-C187 WeakPolarHBondContact O-CB 3.35Å; Y150-C187 PolarHBondContact O-N 3.29Å; C187-Y189 VanDerWaalsContact C-N 3.25Å; C187-Y189 PolarHBondContact O-N 3.45Å; C187-F190 HydrophobicContact CB-CB 4.35Å; C187-F190 HydrophobicContact CB-CD2 3.86Å; C187-F190 PolarHBondContact O-N 2.95Å; C187-C191 WeakPolarHBondContact O-CB 3.26Å; C187-C191 PolarHBondContact O-N 3Å
188P94.5Very high91.6Very high0 Ų045.8 Ų45.80%025%0.247CC..Hα-helixtrans-60-34.4178-24.334.2000113.5T123 I125 V178 L181 S186 C191 S192T123-P188 WeakPolarHBondContact O-CD 3.24Å; T123-P188 WeakPolarHBondContact O-CG 3.4Å; I125-P188 HydrophobicContact CD1-CG 4.2Å; I125-P188 HydrophobicContact CG1-CG 4.35Å; I125-P188 HydrophobicContact CG2-CG 3.84Å; V178-P188 HydrophobicContact CG2-CB 4Å; V178-P188 HydrophobicContact CG2-CG 4.24Å; L181-P188 HydrophobicContact CB-CG 3.99Å; L181-P188 HydrophobicContact CD1-CB 3.93Å; L181-P188 HydrophobicContact CD1-CG 4.02Å; S186-P188 VanDerWaalsContact O-CD 3.32Å; S186-P188 WeakPolarHBondContact O-CD 3.06Å; P188-C191 PolarHBondContact O-N 3.45Å; P188-S192 PolarHBondContact O-N 3.37Å; P188-S192 PolarHBondContact O-OG 2.85Å
189Y93.5Very high91.6Very high12 Ų1244.7 Ų44.75%0.04724%0.241CC..Hα-helixtrans-59.9-48176.7176.7-103.3000113S118 R120 T123 C187 S192 R193S118-Y189 WeakPolarHBondContact O-CD2 3.4Å; S118-Y189 WeakPolarHBondContact O-CE2 3.39Å; R120-Y189 HydrophobicContact CG-CD1 4.05Å; R120-Y189 HydrophobicContact CG-CD2 3.73Å; R120-Y189 HydrophobicContact CG-CE1 4.01Å; R120-Y189 HydrophobicContact CG-CE2 3.69Å; R120-Y189 HydrophobicContact CG-CG 3.89Å; R120-Y189 VanDerWaalsContact CZ-CE1 3.49Å; R120-Y189 VanDerWaalsContact CZ-OH 3.3Å; R120-Y189 PolarHBondContact NH1-OH 2.81Å; R120-Y189 PolarHBondContact NH2-OH 3.46Å; T123-Y189 WeakPolarHBondContact OG1-CB 3.48Å; C187-Y189 VanDerWaalsContact C-N 3.25Å; C187-Y189 PolarHBondContact O-N 3.45Å; Y189-S192 PolarHBondContact O-OG 2.93Å; Y189-R193 VanDerWaalsContact CZ-NE 3.27Å; Y189-R193 WeakPolarHBondContact O-CG 3.11Å; Y189-R193 PolarHBondContact O-N 2.83Å; Y189-R193 PolarHBondContact OH-NE 2.88Å; Y189-R193 PolarHBondContact OH-NH1 3.28Å; Y189-R193 PolarHBondContact OH-NH2 3.49Å
190F90.6Very high91.6Very high58 Ų5840.2 Ų40.225%0.25422%0.221SC..Hα-helixtrans-77-31.2178.5-69.4-57.1000111.8L143 D151 C187 R193 S194L143-F190 HydrophobicContact CD1-CE2 3.97Å; L143-F190 HydrophobicContact CD1-CZ 3.67Å; L143-F190 HydrophobicContact CD2-CE2 4.19Å; D151-F190 VanDerWaalsContact OD1-CD2 3.23Å; D151-F190 WeakPolarHBondContact OD1-CD2 3.31Å; D151-F190 WeakPolarHBondContact OD1-CE2 3.31Å; C187-F190 HydrophobicContact CB-CB 4.35Å; C187-F190 HydrophobicContact CB-CD2 3.86Å; C187-F190 PolarHBondContact O-N 2.95Å; F190-R193 PolarHBondContact O-N 3.02Å; F190-S194 WeakPolarHBondContact O-CB 3.07Å; F190-S194 PolarHBondContact O-N 3Å
191C92.4Very high91.7Very high9 Ų938.7 Ų38.76%0.06121%0.209CC..Hα-helixtrans-59.5-53.2173-177.90000111.4L181 C187 P188 R193 S194 L195L181-C191 HydrophobicContact CD1-CB 3.74Å; C187-C191 WeakPolarHBondContact O-CB 3.26Å; C187-C191 PolarHBondContact O-N 3Å; P188-C191 PolarHBondContact O-N 3.45Å; C191-R193 VanDerWaalsContact C-N 3.29Å; C191-R193 PolarHBondContact O-N 3.25Å; C191-S194 WeakPolarHBondContact O-CA 3.4Å; C191-S194 WeakPolarHBondContact O-CB 3.49Å; C191-S194 PolarHBondContact O-N 3.13Å; C191-L195 WeakPolarHBondContact O-CG 3.49Å; C191-L195 PolarHBondContact O-N 2.98Å
192S93.5Very high92Very high1 Ų138.7 Ų38.71%0.00721%0.209CC..Hα-helixtrans-60.3-38.4-179.165.20000112.8S115 I116 P188 Y189 L195 A196S115-S192 PolarHBondContact OG-O 3.44Å; I116-S192 VanDerWaalsContact O-CB 3.25Å; I116-S192 WeakPolarHBondContact O-CB 3.44Å; P188-S192 PolarHBondContact O-N 3.37Å; P188-S192 PolarHBondContact O-OG 2.85Å; Y189-S192 PolarHBondContact O-OG 2.93Å; S192-L195 PolarHBondContact O-N 3.08Å; S192-A196 PolarHBondContact O-N 2.83Å
193R91.7Very high92.2Very high44 Ų4434.5 Ų34.517%0.16619%0.187CC..Hα-helixtrans-62.8-41.8173.1-73.6173.9158.6-139.7-11.1112.7L117 Y189 F190 C191 A196 A217L117-R193 HydrophobicContact CD2-CG 4.14Å; Y189-R193 VanDerWaalsContact CZ-NE 3.27Å; Y189-R193 WeakPolarHBondContact O-CG 3.11Å; Y189-R193 PolarHBondContact O-N 2.83Å; Y189-R193 PolarHBondContact OH-NE 2.88Å; Y189-R193 PolarHBondContact OH-NH1 3.28Å; Y189-R193 PolarHBondContact OH-NH2 3.49Å; F190-R193 PolarHBondContact O-N 3.02Å; C191-R193 VanDerWaalsContact C-N 3.29Å; C191-R193 PolarHBondContact O-N 3.25Å; R193-A196 PolarHBondContact O-N 3.47Å; R193-A217 PolarHBondContact NH1-O 2.58Å; R193-A217 PolarHBondContact NH2-O 3.47Å
194S89.5Confident92.5Very high69 Ų6929.4 Ų29.448%0.48315%0.154SC..Hα-helixtrans-64.1-41.9174.1-1720000111.5F190 C191 A196 R197F190-S194 WeakPolarHBondContact O-CB 3.07Å; F190-S194 PolarHBondContact O-N 3Å; C191-S194 WeakPolarHBondContact O-CA 3.4Å; C191-S194 WeakPolarHBondContact O-CB 3.49Å; C191-S194 PolarHBondContact O-N 3.13Å; S194-A196 VanDerWaalsContact C-N 3.32Å; S194-A196 PolarHBondContact O-N 2.93Å; S194-R197 WeakPolarHBondContact O-CB 3.42Å; S194-R197 PolarHBondContact O-N 3.18Å
195L92.2Very high92.9Very high28 Ų2828.7 Ų28.715%0.14715%0.151CC..Hα-helixtrans-64.3-36.4178.4-66.2174.6000112.1V163 W172 C191 S192 R197 S198 A199V163-L195 HydrophobicContact CG1-CD1 4.33Å; V163-L195 HydrophobicContact CG1-CD2 3.66Å; V163-L195 HydrophobicContact CG2-CD1 4.39Å; V163-L195 HydrophobicContact CG2-CD2 4.31Å; W172-L195 HydrophobicContact CH2-CD1 4.04Å; W172-L195 HydrophobicContact CZ2-CD1 4.02Å; C191-L195 WeakPolarHBondContact O-CG 3.49Å; C191-L195 PolarHBondContact O-N 2.98Å; S192-L195 PolarHBondContact O-N 3.08Å; L195-R197 PolarHBondContact O-N 3.48Å; L195-R197 VanDerWaalsContact O-N 3.15Å; L195-S198 PolarHBondContact O-N 3.13Å; L195-S198 VanDerWaalsContact O-N 3.12Å; L195-S198 PolarHBondContact O-OG 3.04Å; L195-A199 WeakPolarHBondContact O-CB 3.49Å; L195-A199 PolarHBondContact O-N 3.22Å
196A93Very high93.4Very high6 Ų626.6 Ų26.65%0.0514%0.137CC..Hα-helixtrans-59.7-25.7177.800000113.1K86 L117 S192 R193 S194 S198 I202K86-A196 PolarHBondContact NZ-O 3.26Å; L117-A196 HydrophobicContact CD2-CB 3.94Å; S192-A196 PolarHBondContact O-N 2.83Å; R193-A196 PolarHBondContact O-N 3.47Å; S194-A196 VanDerWaalsContact C-N 3.32Å; S194-A196 PolarHBondContact O-N 2.93Å; A196-S198 VanDerWaalsContact C-N 3.32Å; A196-S198 PolarHBondContact O-N 3Å; A196-I202 HydrophobicContact CB-CD1 4.17Å; A196-I202 HydrophobicContact CB-CG1 4.21Å; A196-I202 HydrophobicContact CB-CG2 4.4Å; A196-I202 WeakPolarHBondContact O-CD1 3.43Å
197R90.2Very high93.5Very high181 Ų18130 Ų3068%0.68316%0.155SC*.Hα-helixtrans-65.3-34.9177.1-64.9-179.6177.3167.4-2.3112.8K86 S194 L195K86-R197 PolarHBondContact NZ-O 3.15Å; S194-R197 WeakPolarHBondContact O-CB 3.42Å; S194-R197 PolarHBondContact O-N 3.18Å; L195-R197 PolarHBondContact O-N 3.48Å; L195-R197 VanDerWaalsContact O-N 3.15Å
198S90.3Very high93.6Very high80 Ų8029.9 Ų29.956%0.55915%0.152SC*.Hα-helixtrans-109.34.5-179.357.70000114.1L195 A196L195-S198 PolarHBondContact O-N 3.13Å; L195-S198 VanDerWaalsContact O-N 3.12Å; L195-S198 PolarHBondContact O-OG 3.04Å; A196-S198 VanDerWaalsContact C-N 3.32Å; A196-S198 PolarHBondContact O-N 3Å
199A94.2Very high93.6Very high3 Ų330 Ų303%0.02515%0.152CC..  trans-76.7149.2179.200000111.5L195 I202L195-A199 WeakPolarHBondContact O-CB 3.49Å; L195-A199 PolarHBondContact O-N 3.22Å; A199-I202 HydrophobicContact CB-CG1 3.96Å
200D95.6Very high93.7Very high31 Ų3129.5 Ų29.517%0.16615%0.151CC..SBendtrans-87.7-35.3174-63.4-31.6000111.1L62 K66 I87 T112 K113L62-D200 HydrophobicContact CD2-CB 3.89Å; K66-D200 WeakPolarHBondContact CE-OD1 3.32Å; K66-D200 IonicContact NZ-OD1 2.77Å; K66-D200 PolarHBondContact NZ-OD1 2.92Å; K66-D200 IonicContact NZ-OD2 3.55Å; K66-D200 PolarHBondContact NZ-OD2 2.66Å; I87-D200 PolarHBondContact N-O 3.05Å; T112-D200 HydrophobicContact CG2-CB 3.75Å; K113-D200 HydrophobicContact CB-CB 4.47Å; K113-D200 WeakPolarHBondContact O-CB 3.45Å; K113-D200 PolarHBondContact O-N 2.87Å
201I97.5Very high93.7Very high0 Ų028.3 Ų28.30%015%0.147CC..EExtended strand (participates in β ladder)trans-129131175.2-171.9165000110.6L55 L59 I87 Y89 T112 K113 M114 S115 F203L55-I201 HydrophobicContact CD2-CD1 4.07Å; L59-I201 HydrophobicContact CD2-CD1 4.25Å; I87-I201 HydrophobicContact CB-CB 4.34Å; I87-I201 HydrophobicContact CB-CD1 4.45Å; I87-I201 HydrophobicContact CB-CG1 4.07Å; I87-I201 HydrophobicContact CG2-CD1 4.09Å; I87-I201 HydrophobicContact CG2-CG1 4.04Å; I87-I201 CarbonylContact O-C 3.55Å; I87-I201 VanDerWaalsContact O-CA 3.29Å; I87-I201 WeakPolarHBondContact O-CA 3.44Å; Y89-I201 HydrophobicContact CD2-CD1 4.45Å; T112-I201 HydrophobicContact CG2-CG2 3.82Å; K113-I201 PolarHBondContact O-N 3.35Å; M114-I201 CarbonylContact C-O 3.58Å; M114-I201 WeakPolarHBondContact CA-O 3.3Å; M114-I201 HydrophobicContact CB-CG2 3.64Å; S115-I201 PolarHBondContact N-O 3.04Å; S115-I201 VanDerWaalsContact N-O 3.08Å; I201-F203 HydrophobicContact CD1-CE1 3.99Å; I201-F203 HydrophobicContact CD1-CE2 4.14Å; I201-F203 HydrophobicContact CD1-CZ 3.53Å; I201-F203 HydrophobicContact CG1-CE1 4.35Å; I201-F203 HydrophobicContact CG1-CE2 3.98Å; I201-F203 HydrophobicContact CG1-CZ 3.86Å; I201-F203 HydrophobicContact CG2-CE2 3.93Å; I201-F203 HydrophobicContact CG2-CZ 4.33Å
202I97.3Very high93.4Very high1 Ų129 Ų291%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-120121.4-178.9-59.7159.6000107.5K86 I87 Y88 Y89 S115 L117 A196 A199K86-I202 HydrophobicContact CD-CD1 4.11Å; I87-I202 PolarHBondContact O-N 3.28Å; Y88-I202 CarbonylContact C-O 3.54Å; Y88-I202 WeakPolarHBondContact CA-O 3.29Å; Y88-I202 HydrophobicContact CD1-CB 3.87Å; Y88-I202 HydrophobicContact CD1-CD1 4.1Å; Y88-I202 HydrophobicContact CD1-CG2 4.11Å; Y88-I202 HydrophobicContact CE1-CB 4.02Å; Y88-I202 HydrophobicContact CE1-CD1 3.41Å; Y88-I202 VanDerWaalsContact CE1-CD1 3.41Å; Y88-I202 HydrophobicContact CE1-CG1 4.32Å; Y88-I202 HydrophobicContact CE1-CG2 4.16Å; Y89-I202 PolarHBondContact N-O 2.99Å; S115-I202 WeakPolarHBondContact O-CA 3.2Å; L117-I202 HydrophobicContact CD1-CG2 3.98Å; L117-I202 HydrophobicContact CG-CG2 3.93Å; A196-I202 HydrophobicContact CB-CD1 4.17Å; A196-I202 HydrophobicContact CB-CG1 4.21Å; A196-I202 HydrophobicContact CB-CG2 4.4Å; A196-I202 WeakPolarHBondContact O-CD1 3.43Å; A199-I202 HydrophobicContact CB-CG1 3.96Å
203F97.9Very high93.1Very high0 Ų030.4 Ų30.40%016%0.159CC..EExtended strand (participates in β ladder)trans-96.5130.2174.8-58.5-88.6000110.6L55 Y89 I97 V100 I101 L104 M114 S115 I116 L117 I201L55-F203 HydrophobicContact CD2-CE1 4.34Å; L55-F203 HydrophobicContact CD2-CZ 4.38Å; Y89-F203 AromaticContact CD1-CD1 3.98Å; Y89-F203 HydrophobicContact CD1-CD1 3.98Å; Y89-F203 HydrophobicContact CD1-CE1 4.02Å; Y89-F203 HydrophobicContact CD2-CE1 4.35Å; Y89-F203 AromaticContact CG-CD1 3.95Å; Y89-F203 HydrophobicContact CG-CD1 3.95Å; Y89-F203 AromaticContact CG-CE1 3.74Å; Y89-F203 HydrophobicContact CG-CE1 3.74Å; Y89-F203 VanDerWaalsContact O-CA 3.3Å; Y89-F203 WeakPolarHBondContact O-CA 3.16Å; I97-F203 HydrophobicContact CD1-CB 4.3Å; I97-F203 HydrophobicContact CG2-CB 3.61Å; I97-F203 HydrophobicContact CG2-CD1 4.34Å; I97-F203 HydrophobicContact CG2-CG 4.1Å; V100-F203 HydrophobicContact CG1-CD1 4.19Å; V100-F203 HydrophobicContact CG1-CE1 3.58Å; V100-F203 HydrophobicContact CG1-CZ 4.45Å; I101-F203 HydrophobicContact CD1-CD1 4.29Å; I101-F203 HydrophobicContact CD1-CD2 3.73Å; I101-F203 HydrophobicContact CD1-CE1 4.12Å; I101-F203 HydrophobicContact CD1-CE2 3.51Å; I101-F203 HydrophobicContact CD1-CG 4.11Å; I101-F203 HydrophobicContact CD1-CZ 3.73Å; L104-F203 HydrophobicContact CD2-CE2 4.34Å; L104-F203 HydrophobicContact CD2-CZ 4.09Å; M114-F203 HydrophobicContact CB-CE2 4.22Å; M114-F203 HydrophobicContact CE-CD2 3.81Å; M114-F203 HydrophobicContact CE-CE2 3.77Å; M114-F203 HydrophobicContact SD-CE2 4.28Å; S115-F203 PolarHBondContact O-N 3.48Å; I116-F203 CarbonylContact C-O 3.54Å; I116-F203 WeakPolarHBondContact CA-O 3.27Å; I116-F203 HydrophobicContact CG1-CB 4.13Å; I116-F203 HydrophobicContact CG1-CD2 4.24Å; I116-F203 HydrophobicContact CG2-CB 4.25Å; L117-F203 PolarHBondContact N-O 2.79Å; I201-F203 HydrophobicContact CD1-CE1 3.99Å; I201-F203 HydrophobicContact CD1-CE2 4.14Å; I201-F203 HydrophobicContact CD1-CZ 3.53Å; I201-F203 HydrophobicContact CG1-CE1 4.35Å; I201-F203 HydrophobicContact CG1-CE2 3.98Å; I201-F203 HydrophobicContact CG1-CZ 3.86Å; I201-F203 HydrophobicContact CG2-CE2 3.93Å; I201-F203 HydrophobicContact CG2-CZ 4.33Å
204C96.2Very high92.9Very high0 Ų030.7 Ų30.70%016%0.163CC..EExtended strand (participates in β ladder)trans-156.3156.9175.856.60000111.5Y89 C90 T91 L117 Y208Y89-C204 PolarHBondContact O-N 3.24Å; C90-C204 WeakPolarHBondContact CA-O 3.28Å; C90-C204 WeakPolarHBondContact CB-O 3.12Å; C90-C204 PolarHBondContact SG-SG 2.84Å; T91-C204 PolarHBondContact N-O 3.13Å; L117-C204 HydrophobicContact CB-CB 3.93Å; L117-C204 HydrophobicContact CD1-CB 4.25Å; L117-C204 HydrophobicContact CG-CB 4.43Å; C204-Y208 HydrophobicContact CB-CD2 4.19Å; C204-Y208 HydrophobicContact CB-CG 3.95Å
205P95.2Very high92.8Very high10 Ų1029 Ų297%0.06515%0.147CC..EExtended strand (participates in β ladder)trans-66.8159168.2-7.319.9000111.6T91 H94 I97 D207 Y208T91-P205 CarbonylContact O-C 3.59Å; T91-P205 WeakPolarHBondContact O-CA 3.33Å; H94-P205 VanDerWaalsContact CE1-CD 3.49Å; H94-P205 WeakPolarHBondContact CE1-CD 3.21Å; I97-P205 HydrophobicContact CD1-CG 4.43Å; P205-D207 VanDerWaalsContact CB-OD1 3.28Å; P205-D207 WeakPolarHBondContact CB-OD1 3.1Å; P205-D207 PolarHBondContact O-N 3.39Å; P205-Y208 HydrophobicContact CG-CD2 4.28Å; P205-Y208 HydrophobicContact CG-CE2 4.25Å; P205-Y208 PolarHBondContact O-N 3.05Å
206Y93.9Very high92.3Very high5 Ų531.8 Ų31.82%0.0217%0.168CC..THydrogen-bonded Turntrans-55.1-36.1-173.6-53.6-34.5000114.2C90 T91 R92 Y208 L209 L210 L229 D230 E231 A232 I235 A238C90-Y206 HydrophobicContact CB-CD1 3.67Å; C90-Y206 HydrophobicContact CB-CE1 4.11Å; C90-Y206 WeakPolarHBondContact O-CE1 3.2Å; T91-Y206 VanDerWaalsContact C-CZ 3.49Å; T91-Y206 WeakPolarHBondContact O-CD1 3.41Å; T91-Y206 WeakPolarHBondContact O-CE1 3.48Å; T91-Y206 PolarHBondContact O-N 2.93Å; R92-Y206 HydrophobicContact CB-CD2 4.39Å; R92-Y206 HydrophobicContact CB-CE2 3.87Å; R92-Y206 HydrophobicContact CG-CE2 4.47Å; Y206-Y208 PolarHBondContact O-N 3.47Å; Y206-L209 PolarHBondContact O-N 2.97Å; Y206-L210 WeakPolarHBondContact O-CG 3.27Å; Y206-L210 PolarHBondContact O-N 3.24Å; Y206-L229 HydrophobicContact CD1-CD2 3.3Å; Y206-L229 HydrophobicContact CE1-CB 4.1Å; Y206-L229 HydrophobicContact CE1-CD2 3.64Å; Y206-L229 HydrophobicContact CG-CD2 4.13Å; Y206-D230 VanDerWaalsContact OH-C 3.29Å; Y206-D230 PolarHBondContact OH-O 3.32Å; Y206-E231 PolarHBondContact OH-O 3.02Å; Y206-A232 PolarHBondContact OH-N 2.74Å; Y206-I235 HydrophobicContact CD2-CD1 4.46Å; Y206-A238 HydrophobicContact CD2-CB 4.38Å
207D92.9Very high91.7Very high73 Ų7334 Ų3439%0.3919%0.186SC..Hα-helixtrans-58.5-26.6-177.963.7-29.6000112.7P205 L209 D211 N214P205-D207 VanDerWaalsContact CB-OD1 3.28Å; P205-D207 WeakPolarHBondContact CB-OD1 3.1Å; P205-D207 PolarHBondContact O-N 3.39Å; D207-L209 PolarHBondContact O-N 3.49Å; D207-D211 VanDerWaalsContact O-CB 3.22Å; D207-D211 WeakPolarHBondContact O-CB 3.48Å; D207-D211 PolarHBondContact O-N 3.24Å; D207-N214 PolarHBondContact O-ND2 2.83Å
208Y94.2Very high91.2Very high17 Ų1726 Ų267%0.06716%0.158CC..Hα-helixtrans-65.3-27.2174.5-80.8-101.1000113.5L117 S118 S119 C204 P205 Y206 R215 T218L117-Y208 HydrophobicContact CB-CD1 3.92Å; L117-Y208 HydrophobicContact CB-CE1 3.84Å; L117-Y208 HydrophobicContact CD1-CD1 3.95Å; S118-Y208 WeakPolarHBondContact CA-OH 3.24Å; S118-Y208 PolarHBondContact O-OH 2.99Å; S119-Y208 PolarHBondContact N-OH 2.94Å; S119-Y208 VanDerWaalsContact N-OH 3.1Å; C204-Y208 HydrophobicContact CB-CD2 4.19Å; C204-Y208 HydrophobicContact CB-CG 3.95Å; P205-Y208 HydrophobicContact CG-CD2 4.28Å; P205-Y208 HydrophobicContact CG-CE2 4.25Å; P205-Y208 PolarHBondContact O-N 3.05Å; Y206-Y208 PolarHBondContact O-N 3.47Å; Y208-R215 WeakPolarHBondContact O-CA 3.38Å; Y208-T218 HydrophobicContact CD1-CG2 3.71Å; Y208-T218 HydrophobicContact CE1-CG2 3.76Å
209L94.3Very high90.7Very high1 Ų126.1 Ų26.11%0.00516%0.159CC..Hα-helixtrans-98.8-37.6178-61.1-171.1000112.6Y88 C90 Y206 D207 R215 L220 V222 I227 L460Y88-L209 HydrophobicContact CD1-CD2 4.06Å; Y88-L209 HydrophobicContact CE1-CD2 4.43Å; Y88-L209 HydrophobicContact CG-CD1 4.33Å; Y88-L209 HydrophobicContact CG-CD2 4.25Å; C90-L209 WeakPolarHBondContact SG-CD1 3.44Å; Y206-L209 PolarHBondContact O-N 2.97Å; D207-L209 PolarHBondContact O-N 3.49Å; L209-R215 PolarHBondContact O-NH1 3.19Å; L209-L220 HydrophobicContact CD2-CD1 3.83Å; L209-V222 HydrophobicContact CD2-CG1 3.95Å; L209-I227 HydrophobicContact CD1-CD1 4.18Å; L209-I227 HydrophobicContact CD1-CG1 4.22Å; L209-I227 HydrophobicContact CD1-CG2 3.76Å; L209-L460 HydrophobicContact CB-CD1 4.4Å; L209-L460 HydrophobicContact CB-CD2 4.04Å
210L94.3Very high90.2Very high2 Ų226.9 Ų26.91%0.0116%0.162CC..Hα-helixtrans-77-48.1-176.2-64.5172000111.9Y206 P212 I235 A238 A242 V456 F457 L460Y206-L210 WeakPolarHBondContact O-CG 3.27Å; Y206-L210 PolarHBondContact O-N 3.24Å; L210-P212 VanDerWaalsContact O-CD 3.27Å; L210-P212 WeakPolarHBondContact O-CD 3.41Å; L210-I235 HydrophobicContact CD1-CD1 3.79Å; L210-I235 HydrophobicContact CD2-CD1 4.44Å; L210-A238 HydrophobicContact CD1-CB 3.78Å; L210-A242 HydrophobicContact CB-CB 3.82Å; L210-V456 HydrophobicContact CB-CG1 4.12Å; L210-V456 HydrophobicContact CD2-CG1 4.06Å; L210-V456 WeakPolarHBondContact O-CG1 3.39Å; L210-F457 HydrophobicContact CD2-CD2 4Å; L210-L460 HydrophobicContact CD2-CD2 3.77Å
211D91.8Very high89.7Confident34 Ų3431.8 Ų31.818%0.18218%0.184CC..  trans-75.5116.7-178.2-178.7-14.2000110.1D207 L213 N214 R215 A242D207-D211 VanDerWaalsContact O-CB 3.22Å; D207-D211 WeakPolarHBondContact O-CB 3.48Å; D207-D211 PolarHBondContact O-N 3.24Å; D211-L213 PolarHBondContact O-N 2.98Å; D211-L213 WeakPolarHBondContact OD1-CA 3.36Å; D211-L213 VanDerWaalsContact OD1-CB 3.22Å; D211-L213 WeakPolarHBondContact OD1-CB 3.46Å; D211-L213 PolarHBondContact OD1-N 3.46Å; D211-N214 HydrophobicContact CB-CB 4.14Å; D211-N214 PolarHBondContact O-N 3.41Å; D211-N214 VanDerWaalsContact O-N 3.16Å; D211-N214 PolarHBondContact OD2-ND2 3.33Å; D211-R215 WeakPolarHBondContact O-CB 3.4Å; D211-R215 PolarHBondContact O-N 3.11Å; D211-A242 HydrophobicContact CB-CB 4.24Å
212P85.2Confident89.4Confident24 Ų2432.1 Ų32.116%0.15619%0.186CC..Hα-helixtrans-59.3-30.4178.4-24.236000113.8L210 S216 T379 Y383L210-P212 VanDerWaalsContact O-CD 3.27Å; L210-P212 WeakPolarHBondContact O-CD 3.41Å; P212-S216 VanDerWaalsContact O-CB 3.25Å; P212-S216 WeakPolarHBondContact O-CB 3.48Å; P212-S216 PolarHBondContact O-N 3.49Å; P212-S216 PolarHBondContact O-OG 3.28Å; P212-T379 HydrophobicContact CB-CG2 4.06Å; P212-T379 HydrophobicContact CG-CG2 3.94Å; P212-Y383 HydrophobicContact CG-CE2 3.74Å; P212-Y383 WeakPolarHBondContact CG-OH 3.22Å
213L86.8Confident89.2Confident29 Ų2936.1 Ų36.115%0.15221%0.211CC..Hα-helixtrans-67.1-45.2177.3-58.9179.1000110.5D211 S216 A217 N375 A376 T379D211-L213 PolarHBondContact O-N 2.98Å; D211-L213 WeakPolarHBondContact OD1-CA 3.36Å; D211-L213 VanDerWaalsContact OD1-CB 3.22Å; D211-L213 WeakPolarHBondContact OD1-CB 3.46Å; D211-L213 PolarHBondContact OD1-N 3.46Å; L213-S216 PolarHBondContact O-OG 3.04Å; L213-A217 WeakPolarHBondContact O-CB 3.08Å; L213-A217 PolarHBondContact O-N 3.32Å; L213-N375 HydrophobicContact CD2-CB 3.8Å; L213-A376 HydrophobicContact CD1-CB 3.7Å; L213-T379 WeakPolarHBondContact CD2-OG1 3.49Å
214N88.6Confident88.9Confident50 Ų5040.3 Ų40.327%0.26723%0.233SC..Hα-helixtrans-67.8-42.5177.5-69-31.8000111.4D207 D211 A217 T218D207-N214 PolarHBondContact O-ND2 2.83Å; D211-N214 HydrophobicContact CB-CB 4.14Å; D211-N214 PolarHBondContact O-N 3.41Å; D211-N214 VanDerWaalsContact O-N 3.16Å; D211-N214 PolarHBondContact OD2-ND2 3.33Å; N214-A217 PolarHBondContact O-N 3.12Å; N214-T218 PolarHBondContact O-N 3.34Å; N214-T218 PolarHBondContact O-OG1 2.88Å
215R87.6Confident88.9Confident35 Ų3541.2 Ų41.213%0.13224%0.237CC..Hα-helixtrans-64-46.7-179.9-170.7169.959.9-151.92112.1Y208 L209 D211 T218 S219 L220Y208-R215 WeakPolarHBondContact O-CA 3.38Å; L209-R215 PolarHBondContact O-NH1 3.19Å; D211-R215 WeakPolarHBondContact O-CB 3.4Å; D211-R215 PolarHBondContact O-N 3.11Å; R215-T218 PolarHBondContact O-N 3.49Å; R215-T218 PolarHBondContact O-OG1 3.44Å; R215-S219 PolarHBondContact O-N 3.31Å; R215-S219 VanDerWaalsContact O-N 3.13Å; R215-L220 HydrophobicContact CG-CB 4.3Å; R215-L220 PolarHBondContact O-N 3.32Å
216S81.7Confident89Confident85 Ų8540.8 Ų40.859%0.59423%0.234SC*.Hα-helixtrans-63.8-43.5175.557.60000111.6P212 L213 T218 S219P212-S216 VanDerWaalsContact O-CB 3.25Å; P212-S216 WeakPolarHBondContact O-CB 3.48Å; P212-S216 PolarHBondContact O-N 3.49Å; P212-S216 PolarHBondContact O-OG 3.28Å; L213-S216 PolarHBondContact O-OG 3.04Å; S216-T218 VanDerWaalsContact C-N 3.25Å; S216-T218 PolarHBondContact O-N 3.07Å; S216-S219 PolarHBondContact O-N 3.1Å
217A80.1Confident89.2Confident52 Ų5240.5 Ų40.543%0.4323%0.233SC..Hα-helixtrans-64.8-27.417900000113.3R193 L213 N214R193-A217 PolarHBondContact NH1-O 2.58Å; R193-A217 PolarHBondContact NH2-O 3.47Å; L213-A217 WeakPolarHBondContact O-CB 3.08Å; L213-A217 PolarHBondContact O-N 3.32Å; N214-A217 PolarHBondContact O-N 3.12Å
218T80.1Confident89.5Confident14 Ų1437 Ų379%0.08622%0.215CC..Hα-helixtrans-93.4-7.9178.744.20000114.2L117 Y208 N214 R215 S216 L220L117-T218 HydrophobicContact CD1-CG2 4.31Å; Y208-T218 HydrophobicContact CD1-CG2 3.71Å; Y208-T218 HydrophobicContact CE1-CG2 3.76Å; N214-T218 PolarHBondContact O-N 3.34Å; N214-T218 PolarHBondContact O-OG1 2.88Å; R215-T218 PolarHBondContact O-N 3.49Å; R215-T218 PolarHBondContact O-OG1 3.44Å; S216-T218 VanDerWaalsContact C-N 3.25Å; S216-T218 PolarHBondContact O-N 3.07Å; T218-L220 PolarHBondContact O-N 3.45Å; T218-L220 WeakPolarHBondContact OG1-CD1 3.46Å; T218-L220 WeakPolarHBondContact OG1-CG 3.12Å
219S79.1Confident89.7Confident83 Ų8336.3 Ų36.358%0.5821%0.212SC*.THydrogen-bonded Turntrans53.338.4-174-46.70000112.3R215 S216 E221R215-S219 PolarHBondContact O-N 3.31Å; R215-S219 VanDerWaalsContact O-N 3.13Å; S216-S219 PolarHBondContact O-N 3.1Å; S219-E221 PolarHBondContact O-N 2.89Å
220L84.2Confident89.7Confident19 Ų1936.4 Ų36.410%0.09921%0.213CC..  trans-76.2122.2175.5-68.4174.7000110Y88 L117 L209 R215 T218Y88-L220 HydrophobicContact CE1-CB 4.5Å; Y88-L220 HydrophobicContact CE1-CD1 4.33Å; Y88-L220 HydrophobicContact CE1-CD2 3.59Å; Y88-L220 HydrophobicContact CE1-CG 4.33Å; L117-L220 HydrophobicContact CD1-CD1 3.61Å; L117-L220 HydrophobicContact CD1-CD2 3.68Å; L117-L220 HydrophobicContact CD1-CG 4.03Å; L209-L220 HydrophobicContact CD2-CD1 3.83Å; R215-L220 HydrophobicContact CG-CB 4.3Å; R215-L220 PolarHBondContact O-N 3.32Å; T218-L220 PolarHBondContact O-N 3.45Å; T218-L220 WeakPolarHBondContact OG1-CD1 3.46Å; T218-L220 WeakPolarHBondContact OG1-CG 3.12Å
221E85.6Confident89.7Confident134 Ų13438.4 Ų38.463%0.62622%0.222SC*.  trans-86.3123.5168.2-67.8170.1-177.400108Y88 S219 H225Y88-E221 WeakPolarHBondContact CE2-O 3.34Å; Y88-E221 VanDerWaalsContact CZ-O 3.27Å; Y88-E221 PolarHBondContact OH-O 3.05Å; S219-E221 PolarHBondContact O-N 2.89Å; E221-H225 PolarHBondContact O-CD2 3.21Å
222V89.6Confident89.8Confident6 Ų636.8 Ų36.84%0.03621%0.213CC..  trans-106.6-14.3178.4-67.60000112.4Y88 L209 D224 H225 L460 M463Y88-V222 HydrophobicContact CE2-CG1 4.49Å; L209-V222 HydrophobicContact CD2-CG1 3.95Å; V222-D224 PolarHBondContact O-N 3.06Å; V222-H225 PolarHBondContact O-N 3.03Å; V222-L460 HydrophobicContact CB-CD1 4.19Å; V222-L460 HydrophobicContact CG1-CD1 4.04Å; V222-L460 HydrophobicContact CG2-CD1 4.12Å; V222-M463 HydrophobicContact CG2-CB 4.12Å; V222-M463 HydrophobicContact CG2-CE 3.57Å; V222-M463 HydrophobicContact CG2-SD 4.05Å
223T93.3Very high90.1Very high86 Ų8639.2 Ų39.253%0.52822%0.222SC..THydrogen-bonded Turntrans-61.5128.2-178-52.80000111.3H225 M463T223-H225 PolarHBondContact O-N 3.36Å; T223-H225 VanDerWaalsContact O-N 3.12Å; T223-M463 CarbonylContact C-O 3.55Å; T223-M463 VanDerWaalsContact CA-O 3.23Å; T223-M463 WeakPolarHBondContact CA-O 3.25Å
224D93.4Very high90.3Very high88 Ų8839 Ų3947%0.47122%0.222SC..THydrogen-bonded Turntrans53.729-178.4-80.5-53.4000113.7K37 V222 M463K37-D224 IonicContact NZ-OD1 3.77Å; K37-D224 PolarHBondContact NZ-OD1 3.35Å; V222-D224 PolarHBondContact O-N 3.06Å; D224-M463 PolarHBondContact N-O 3.16Å
225H95.6Very high90.6Very high19 Ų1936.7 Ų36.79%0.08821%0.209CC..  trans-113.8158.9173.3-70.9-18.2000112P85 K86 Y88 E221 V222 T223 H465P85-H225 WeakPolarHBondContact CA-ND1 3.46Å; K86-H225 PolarHBondContact N-CE1 3.47Å; K86-H225 PolarHBondContact N-ND1 3.47Å; K86-H225 VanDerWaalsContact N-ND1 3.13Å; Y88-H225 HydrophobicContact CD2-CB 4.1Å; Y88-H225 HydrophobicContact CE2-CB 3.81Å; Y88-H225 AromaticContact CE2-CD2 3.86Å; E221-H225 PolarHBondContact O-CD2 3.21Å; V222-H225 PolarHBondContact O-N 3.03Å; T223-H225 PolarHBondContact O-N 3.36Å; T223-H225 VanDerWaalsContact O-N 3.12Å; H225-H465 PolarHBondContact O-N 2.88Å
226I97.7Very high90.9Very high0 Ų037.2 Ų37.20%021%0.213CC..EExtended strand (participates in β ladder)trans-89.7129.5-175.9-63.6154.1000108.3L34 W61 P85 K86 I87 Y88 I228L34-I226 HydrophobicContact CD2-CB 4.3Å; L34-I226 HydrophobicContact CD2-CD1 3.52Å; L34-I226 HydrophobicContact CD2-CG1 3.61Å; L34-I226 HydrophobicContact CD2-CG2 3.67Å; W61-I226 HydrophobicContact CE3-CD1 3.93Å; W61-I226 HydrophobicContact CH2-CD1 4.12Å; W61-I226 HydrophobicContact CZ3-CD1 3.43Å; W61-I226 VanDerWaalsContact CZ3-CD1 3.43Å; P85-I226 HydrophobicContact CB-CD1 4.32Å; K86-I226 PolarHBondContact O-N 3.03Å; I87-I226 HydrophobicContact CG1-CB 4.26Å; I87-I226 HydrophobicContact CG1-CD1 4Å; I87-I226 HydrophobicContact CG1-CG2 4.45Å; Y88-I226 PolarHBondContact N-O 3.01Å; I226-I228 HydrophobicContact CG2-CG1 4.09Å
227I98.1Very high91.6Very high0 Ų037.7 Ų37.70%021%0.209CC..EExtended strand (participates in β ladder)trans-114.3120.8175.8-59177.6000108.5Y88 L209 L229 L460 A464 C466 V467 I468Y88-I227 HydrophobicContact CD2-CG1 4.5Å; L209-I227 HydrophobicContact CD1-CD1 4.18Å; L209-I227 HydrophobicContact CD1-CG1 4.22Å; L209-I227 HydrophobicContact CD1-CG2 3.76Å; I227-L229 HydrophobicContact CG2-CD1 4.32Å; I227-L229 HydrophobicContact CG2-CD2 4.3Å; I227-L229 HydrophobicContact CG2-CG 4Å; I227-L460 HydrophobicContact CD1-CD1 3.68Å; I227-L460 HydrophobicContact CD1-CD2 4.2Å; I227-L460 HydrophobicContact CD1-CG 3.81Å; I227-A464 HydrophobicContact CD1-CB 3.77Å; I227-A464 HydrophobicContact CG1-CB 4.12Å; I227-C466 PolarHBondContact N-O 3.01Å; I227-V467 HydrophobicContact CB-CG2 4.33Å; I227-V467 HydrophobicContact CG2-CG1 4.4Å; I227-V467 CarbonylContact O-C 3.6Å; I227-V467 WeakPolarHBondContact O-CA 3.5Å; I227-I468 PolarHBondContact O-N 3.38Å
228I98.3Very high92.3Very high0 Ų036.3 Ų36.30%020%0.197CC..EExtended strand (participates in β ladder)trans-111.9123172.8-57.4178.3000107.5L54 I87 Y88 Y89 C90 I226 I468L54-I228 HydrophobicContact CD1-CG2 3.91Å; L54-I228 HydrophobicContact CD2-CG2 4.15Å; L54-I228 HydrophobicContact CG-CG2 4.45Å; I87-I228 HydrophobicContact CG2-CD1 3.84Å; I87-I228 HydrophobicContact CG2-CG1 4.31Å; Y88-I228 PolarHBondContact O-N 3.11Å; Y89-I228 HydrophobicContact CD2-CB 4.28Å; Y89-I228 HydrophobicContact CD2-CD1 4.16Å; Y89-I228 HydrophobicContact CD2-CG2 4.12Å; Y89-I228 HydrophobicContact CE2-CG2 4Å; C90-I228 PolarHBondContact N-O 3.19Å; I226-I228 HydrophobicContact CG2-CG1 4.09Å; I228-I468 HydrophobicContact CG1-CB 4.39Å; I228-I468 HydrophobicContact CG1-CD1 4.37Å
229L97.5Very high93.1Very high1 Ų135.6 Ų35.61%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-112.9103.7176-62.7165.1000108C90 Y206 I227 A232 I235 F457 V467 I468 L469 M470C90-L229 HydrophobicContact CB-CD2 3.71Å; Y206-L229 HydrophobicContact CD1-CD2 3.3Å; Y206-L229 HydrophobicContact CE1-CB 4.1Å; Y206-L229 HydrophobicContact CE1-CD2 3.64Å; Y206-L229 HydrophobicContact CG-CD2 4.13Å; I227-L229 HydrophobicContact CG2-CD1 4.32Å; I227-L229 HydrophobicContact CG2-CD2 4.3Å; I227-L229 HydrophobicContact CG2-CG 4Å; L229-A232 HydrophobicContact CB-CB 4Å; L229-A232 WeakPolarHBondContact O-CB 3.31Å; L229-I235 HydrophobicContact CD1-CD1 3.73Å; L229-I235 HydrophobicContact CD1-CG1 4.15Å; L229-I235 HydrophobicContact CD2-CD1 4.32Å; L229-F457 HydrophobicContact CD1-CE2 3.73Å; L229-F457 HydrophobicContact CD1-CZ 4.22Å; L229-V467 HydrophobicContact CD1-CG1 4.05Å; L229-I468 PolarHBondContact N-O 3.49Å; L229-L469 HydrophobicContact CB-CD2 3.67Å; L229-L469 HydrophobicContact CD1-CD2 3.3Å; L229-L469 HydrophobicContact CG-CD2 4.01Å; L229-M470 PolarHBondContact O-N 3.25Å
230D95.5Very high93.9Very high4 Ų434.3 Ų34.32%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-100.4129.8-177.7-174.111.8000111.2T51 L54 Y89 C90 T91 Y206 M470T51-D230 PolarHBondContact OG1-OD2 2.72Å; L54-D230 HydrophobicContact CD1-CB 4.26Å; Y89-D230 HydrophobicContact CE1-CB 3.63Å; Y89-D230 PolarHBondContact OH-OD2 2.82Å; C90-D230 PolarHBondContact O-N 3.21Å; T91-D230 HydrophobicContact CG2-CB 4.43Å; Y206-D230 VanDerWaalsContact OH-C 3.29Å; Y206-D230 PolarHBondContact OH-O 3.32Å; D230-M470 CarbonylContact C-O 3.53Å
231E92.9Very high94.4Very high43 Ų4340.5 Ų40.520%0.20120%0.204CC..THydrogen-bonded Turntrans66.644.6-163.6-59.1-6315000112.7K50 Y206 H233 M470K50-E231 WeakPolarHBondContact CE-OE1 3.49Å; K50-E231 IonicContact NZ-OE1 2.67Å; K50-E231 PolarHBondContact NZ-OE1 3.47Å; Y206-E231 PolarHBondContact OH-O 3.02Å; E231-H233 PolarHBondContact O-N 3.45Å; E231-H233 VanDerWaalsContact O-N 3.09Å; E231-H233 IonicContact OE2-CE1 3.19Å; E231-H233 IonicContact OE2-ND1 2.77Å; E231-M470 WeakPolarHBondContact CA-O 3.49Å; E231-M470 PolarHBondContact N-O 3.28Å
232A94.5Very high94.9Very high0 Ų035 Ų350%018%0.181CC..G310 helixtrans-7615-17300000115.7Y206 L229 N234 I235 L469 M470 L474Y206-A232 PolarHBondContact OH-N 2.74Å; L229-A232 HydrophobicContact CB-CB 4Å; L229-A232 WeakPolarHBondContact O-CB 3.31Å; A232-N234 PolarHBondContact O-N 3.47Å; A232-N234 VanDerWaalsContact O-N 3.14Å; A232-I235 HydrophobicContact CB-CB 4.38Å; A232-I235 WeakPolarHBondContact O-CB 3.47Å; A232-I235 WeakPolarHBondContact O-CG2 3.27Å; A232-I235 PolarHBondContact O-N 3.05Å; A232-I235 VanDerWaalsContact O-N 3.09Å; A232-L469 HydrophobicContact CB-CB 4.35Å; A232-L469 HydrophobicContact CB-CD2 4.06Å; A232-M470 PolarHBondContact N-O 3.31Å; A232-L474 HydrophobicContact CB-CD2 4.24Å
233H91.4Very high95.1Very high75 Ų7534.8 Ų34.835%0.34718%0.18SC..G310 helixtrans-67.4-11.5178.359.6-90.4000113.8E231 S471E231-H233 PolarHBondContact O-N 3.45Å; E231-H233 VanDerWaalsContact O-N 3.09Å; E231-H233 IonicContact OE2-CE1 3.19Å; E231-H233 IonicContact OE2-ND1 2.77Å; H233-S471 WeakPolarHBondContact CB-OG 3.37Å; H233-S471 PolarHBondContact ND1-OG 3.32Å
234N90.7Very high95.3Very high26 Ų2632.5 Ų32.514%0.13917%0.167CC..G310 helixtrans-10715.1173.4-59.4119.7000113.2R92 A232 E236 D237 A238R92-N234 VanDerWaalsContact NH1-CG 3.32Å; R92-N234 PolarHBondContact NH1-OD1 3.04Å; A232-N234 PolarHBondContact O-N 3.47Å; A232-N234 VanDerWaalsContact O-N 3.14Å; N234-E236 VanDerWaalsContact C-N 3.28Å; N234-E236 PolarHBondContact O-N 2.9Å; N234-D237 PolarHBondContact O-N 2.87Å; N234-A238 WeakPolarHBondContact O-CB 3.47Å; N234-A238 PolarHBondContact O-N 3.03Å
235I95.1Very high95.4Very high0 Ų029.5 Ų29.50%015%0.15CC..Hα-helixtrans-66.1-33.1-173.5-167.559.2000112.6Y206 L210 L229 A232 S239 F457 L480 L484Y206-I235 HydrophobicContact CD2-CD1 4.46Å; L210-I235 HydrophobicContact CD1-CD1 3.79Å; L210-I235 HydrophobicContact CD2-CD1 4.44Å; L229-I235 HydrophobicContact CD1-CD1 3.73Å; L229-I235 HydrophobicContact CD1-CG1 4.15Å; L229-I235 HydrophobicContact CD2-CD1 4.32Å; A232-I235 HydrophobicContact CB-CB 4.38Å; A232-I235 WeakPolarHBondContact O-CB 3.47Å; A232-I235 WeakPolarHBondContact O-CG2 3.27Å; A232-I235 PolarHBondContact O-N 3.05Å; A232-I235 VanDerWaalsContact O-N 3.09Å; I235-S239 VanDerWaalsContact O-CB 3.31Å; I235-S239 WeakPolarHBondContact O-CB 3.49Å; I235-S239 PolarHBondContact O-N 2.9Å; I235-S239 PolarHBondContact O-OG 3.16Å; I235-F457 HydrophobicContact CD1-CD2 4.24Å; I235-F457 HydrophobicContact CD1-CE2 3.98Å; I235-F457 HydrophobicContact CG1-CD2 3.85Å; I235-F457 HydrophobicContact CG1-CE2 3.54Å; I235-F457 HydrophobicContact CG1-CZ 4.48Å; I235-L480 HydrophobicContact CG2-CD1 4.02Å; I235-L484 HydrophobicContact CG2-CD1 4.09Å; I235-L484 HydrophobicContact CG2-CD2 4.33Å
236E95.1Very high95.4Very high46 Ų4631.5 Ų31.522%0.21516%0.164CC..Hα-helixtrans-63.5-52.5175.9-61.4173.9138.200110.6N234 A238 S239 R240 P453 L480 E483 L484N234-E236 VanDerWaalsContact C-N 3.28Å; N234-E236 PolarHBondContact O-N 2.9Å; E236-A238 PolarHBondContact O-N 2.75Å; E236-S239 PolarHBondContact O-N 2.94Å; E236-R240 WeakPolarHBondContact O-CG 3.36Å; E236-R240 PolarHBondContact O-N 2.97Å; E236-P453 HydrophobicContact CB-CB 4.41Å; E236-P453 HydrophobicContact CB-CG 4.25Å; E236-P453 HydrophobicContact CG-CG 4.41Å; E236-L480 HydrophobicContact CG-CD1 3.63Å; E236-E483 VanDerWaalsContact OE1-CB 3.25Å; E236-E483 WeakPolarHBondContact OE1-CB 3.44Å; E236-E483 WeakPolarHBondContact OE1-CG 3.39Å; E236-L484 HydrophobicContact CG-CD2 4.22Å
237D95.1Very high95.4Very high96 Ų9631.5 Ų31.551%0.51316%0.164SC..Hα-helixtrans-60.3-45.6177.6-66.9-29.4000111.5N234 S239 R240 E241N234-D237 PolarHBondContact O-N 2.87Å; D237-S239 VanDerWaalsContact C-N 3.26Å; D237-S239 PolarHBondContact O-N 3.03Å; D237-R240 PolarHBondContact O-N 3.01Å; D237-E241 WeakPolarHBondContact O-CB 3.27Å; D237-E241 PolarHBondContact O-N 3.39Å
238A95.5Very high95.2Very high22 Ų2233.2 Ų33.218%0.18217%0.174CC..Hα-helixtrans-61.5-35.2178.200000112.2Y206 L210 N234 E236 A242Y206-A238 HydrophobicContact CD2-CB 4.38Å; L210-A238 HydrophobicContact CD1-CB 3.78Å; N234-A238 WeakPolarHBondContact O-CB 3.47Å; N234-A238 PolarHBondContact O-N 3.03Å; E236-A238 PolarHBondContact O-N 2.75Å; A238-A242 WeakPolarHBondContact O-CB 3.26Å; A238-A242 PolarHBondContact O-N 3.18Å
239S96.5Very high94.9Very high0 Ų034.8 Ų34.80%018%0.182CC..Hα-helixtrans-73.3-41177.1-58.20000111.8I235 E236 D237 E241 A242 A243I235-S239 VanDerWaalsContact O-CB 3.31Å; I235-S239 WeakPolarHBondContact O-CB 3.49Å; I235-S239 PolarHBondContact O-N 2.9Å; I235-S239 PolarHBondContact O-OG 3.16Å; E236-S239 PolarHBondContact O-N 2.94Å; D237-S239 VanDerWaalsContact C-N 3.26Å; D237-S239 PolarHBondContact O-N 3.03Å; S239-E241 VanDerWaalsContact C-N 3.34Å; S239-A242 PolarHBondContact O-N 2.99Å; S239-A243 PolarHBondContact O-N 3.18Å
240R96.6Very high94.7Very high55 Ų5540 Ų4021%0.20821%0.206CC..Hα-helixtrans-62.4-41.6173.3-71.6-174.1-125.5-104.7-4.2110.9E236 D237 A243 S244 C450 L451 P453 E483E236-R240 WeakPolarHBondContact O-CG 3.36Å; E236-R240 PolarHBondContact O-N 2.97Å; D237-R240 PolarHBondContact O-N 3.01Å; R240-A243 PolarHBondContact O-N 2.67Å; R240-S244 WeakPolarHBondContact O-CB 3.43Å; R240-S244 PolarHBondContact O-N 2.96Å; R240-S244 PolarHBondContact O-OG 2.77Å; R240-C450 WeakPolarHBondContact CB-O 3.42Å; R240-C450 WeakPolarHBondContact CG-O 3.4Å; R240-L451 PolarHBondContact NH1-O 3.31Å; R240-P453 HydrophobicContact CG-CB 4.17Å; R240-P453 VanDerWaalsContact CZ-CD 3.48Å; R240-P453 VanDerWaalsContact NH1-CD 3.31Å; R240-E483 IonicContact CZ-OE2 3.71Å; R240-E483 IonicContact NH1-OE2 2.78Å; R240-E483 PolarHBondContact NH1-OE2 2.83Å; R240-E483 IonicContact NH2-OE2 3.74Å; R240-E483 PolarHBondContact NH2-OE2 3.09Å
241E95.4Very high94.6Very high150 Ų15042.1 Ų42.170%0.70122%0.216SC*.Hα-helixtrans-65.1-44.1177.2-171.9171.3-166.200111.9D237 S239 A243 S244D237-E241 WeakPolarHBondContact O-CB 3.27Å; D237-E241 PolarHBondContact O-N 3.39Å; S239-E241 VanDerWaalsContact C-N 3.34Å; E241-A243 PolarHBondContact O-N 3.34Å; E241-S244 PolarHBondContact O-N 3.17Å
242A94.4Very high94.8Very high17 Ų1740 Ų4014%0.1421%0.206CC..Hα-helixtrans-61.5-25.4177.200000114.1L210 D211 A238 S239L210-A242 HydrophobicContact CB-CB 3.82Å; D211-A242 HydrophobicContact CB-CB 4.24Å; A238-A242 WeakPolarHBondContact O-CB 3.26Å; A238-A242 PolarHBondContact O-N 3.18Å; S239-A242 PolarHBondContact O-N 2.99Å
243A94.6Very high94.8Very high2 Ų244.8 Ų44.82%0.01723%0.227CC..THydrogen-bonded Turntrans-94.5-4.4175.400000113.6S239 R240 E241 V380 Y395 C450 V456S239-A243 PolarHBondContact O-N 3.18Å; R240-A243 PolarHBondContact O-N 2.67Å; E241-A243 PolarHBondContact O-N 3.34Å; A243-V380 WeakPolarHBondContact O-CG2 3.23Å; A243-Y395 WeakPolarHBondContact O-CE1 3.32Å; A243-Y395 PolarHBondContact O-OH 2.91Å; A243-C450 HydrophobicContact CB-CB 3.36Å; A243-C450 VanDerWaalsContact CB-SG 3.57Å; A243-V456 HydrophobicContact CB-CG2 3.63Å
244S96.7Very high94.9Very high38 Ų3843.1 Ų43.127%0.26622%0.224SC..  trans-99.4154.8-176.3-64.80000111.3R240 E241 F448 C450R240-S244 WeakPolarHBondContact O-CB 3.43Å; R240-S244 PolarHBondContact O-N 2.96Å; R240-S244 PolarHBondContact O-OG 2.77Å; E241-S244 PolarHBondContact O-N 3.17Å; S244-F448 CarbonylContact C-O 3.59Å; S244-F448 WeakPolarHBondContact CA-O 3.25Å; S244-F448 VanDerWaalsContact CB-O 3.23Å; S244-F448 WeakPolarHBondContact CB-O 3.43Å; S244-C450 PolarHBondContact OG-N 2.82Å
245F96.4Very high95.2Very high26 Ų2642 Ų4211%0.11422%0.217CC..EExtended strand (participates in β ladder)trans-149.4135.4177.1-175.4-129.4000112.2I247 F373 A376 L377 V380 F448F245-I247 HydrophobicContact CD1-CD1 4.36Å; F245-I247 HydrophobicContact CD1-CG1 3.77Å; F245-I247 HydrophobicContact CE1-CD1 4.17Å; F245-I247 HydrophobicContact CE1-CG1 3.51Å; F245-I247 HydrophobicContact CZ-CG1 4.34Å; F245-F373 HydrophobicContact CE1-CD2 4.22Å; F245-F373 HydrophobicContact CE1-CE2 4.28Å; F245-F373 HydrophobicContact CZ-CD2 4Å; F245-F373 HydrophobicContact CZ-CE2 4.49Å; F245-A376 HydrophobicContact CD1-CB 4.28Å; F245-A376 HydrophobicContact CD2-CB 3.63Å; F245-A376 HydrophobicContact CE1-CB 3.98Å; F245-A376 HydrophobicContact CE2-CB 3.31Å; F245-A376 HydrophobicContact CG-CB 4.13Å; F245-A376 HydrophobicContact CZ-CB 3.5Å; F245-L377 HydrophobicContact CE1-CB 4.1Å; F245-V380 HydrophobicContact CB-CB 4.14Å; F245-V380 HydrophobicContact CB-CG1 4.01Å; F245-V380 HydrophobicContact CB-CG2 4.47Å; F245-V380 HydrophobicContact CD1-CG1 4.19Å; F245-F448 PolarHBondContact N-O 3.48Å; F245-F448 PolarHBondContact O-N 2.78Å
246T96.4Very high95.3Very high60 Ų6045.9 Ų45.937%0.36823%0.232SC..EExtended strand (participates in β ladder)trans-108.7123.6175.7-66.90000110.3T248 N447T246-T248 HydrophobicContact CG2-CG2 4.36Å; T246-N447 WeakPolarHBondContact CB-OD1 3.41Å; T246-N447 WeakPolarHBondContact CG2-OD1 3.4Å; T246-N447 PolarHBondContact OG1-OD1 2.85Å
247I96.2Very high95.3Very high0 Ų048.6 Ų48.60%025%0.248CC..EExtended strand (participates in β ladder)trans-103120.7173.2-55.3179.1000108.7F245 L252 I282 F373 L377 S445 L446 F448F245-I247 HydrophobicContact CD1-CD1 4.36Å; F245-I247 HydrophobicContact CD1-CG1 3.77Å; F245-I247 HydrophobicContact CE1-CD1 4.17Å; F245-I247 HydrophobicContact CE1-CG1 3.51Å; F245-I247 HydrophobicContact CZ-CG1 4.34Å; I247-L252 HydrophobicContact CG2-CD1 3.66Å; I247-L252 HydrophobicContact CG2-CD2 3.82Å; I247-L252 HydrophobicContact CG2-CG 3.51Å; I247-I282 HydrophobicContact CD1-CD1 4.36Å; I247-F373 HydrophobicContact CB-CE2 4.49Å; I247-F373 HydrophobicContact CD1-CE2 4.19Å; I247-F373 HydrophobicContact CG1-CE2 4.09Å; I247-F373 HydrophobicContact CG2-CE2 3.79Å; I247-F373 HydrophobicContact CG2-CZ 4.47Å; I247-L377 HydrophobicContact CD1-CD1 3.74Å; I247-S445 CarbonylContact O-C 3.54Å; I247-S445 VanDerWaalsContact O-CA 3.25Å; I247-S445 WeakPolarHBondContact O-CA 3.3Å; I247-L446 HydrophobicContact CB-CB 4.34Å; I247-L446 PolarHBondContact N-O 2.81Å; I247-L446 PolarHBondContact O-N 2.89Å; I247-F448 HydrophobicContact CD1-CD2 4.37Å; I247-F448 HydrophobicContact CD1-CE2 3.57Å; I247-F448 HydrophobicContact CD1-CZ 4.36Å; I247-F448 HydrophobicContact CG1-CE2 4.2Å
248T94.1Very high95.2Very high36 Ų3645.4 Ų45.422%0.22123%0.231CC..EExtended strand (participates in β ladder)trans-95.2150.6172.166.90000111.2T246 Q250 Q251 L252T246-T248 HydrophobicContact CG2-CG2 4.36Å; T248-Q250 PolarHBondContact O-N 2.9Å; T248-Q251 WeakPolarHBondContact O-CB 3.44Å; T248-Q251 PolarHBondContact O-N 3.35Å; T248-Q251 VanDerWaalsContact OG1-CG 3.28Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.24Å; T248-Q251 PolarHBondContact OG1-N 3.46Å; T248-Q251 PolarHBondContact OG1-OE1 2.82Å; T248-L252 PolarHBondContact O-N 3.16Å; T248-L252 VanDerWaalsContact O-N 3.17Å
249E93.4Very high95.2Very high33 Ų3344.3 Ų44.315%0.15422%0.222CC..Hα-helixtrans-57-35176.1-168.8-176.2169.300112.5L252 K253 L283 M286 Q443 L444E249-L252 PolarHBondContact O-N 3.16Å; E249-K253 HydrophobicContact CG-CD 4.36Å; E249-K253 WeakPolarHBondContact O-CG 3.42Å; E249-K253 PolarHBondContact O-N 2.86Å; E249-K253 WeakPolarHBondContact OE1-CE 3.45Å; E249-K253 IonicContact OE1-NZ 2.69Å; E249-K253 PolarHBondContact OE1-NZ 3.35Å; E249-L283 HydrophobicContact CG-CD2 4.04Å; E249-M286 HydrophobicContact CB-CE 4.24Å; E249-Q443 HydrophobicContact CB-CG 4.26Å; E249-L444 HydrophobicContact CB-CB 4.5Å; E249-L444 PolarHBondContact N-O 3.21Å
250Q91.4Very high95.1Very high112 Ų11246.2 Ų46.252%0.52323%0.231SC..Hα-helixtrans-65.6-39175.4-174-17910.900112.5T248 L252 K253 S254T248-Q250 PolarHBondContact O-N 2.9Å; Q250-L252 VanDerWaalsContact C-N 3.35Å; Q250-K253 PolarHBondContact O-N 3.48Å; Q250-S254 VanDerWaalsContact O-CB 3.31Å; Q250-S254 WeakPolarHBondContact O-CB 3.1Å; Q250-S254 PolarHBondContact O-N 2.95Å; Q250-S254 PolarHBondContact O-OG 2.99Å
251Q94.4Very high94.9Very high47 Ų4745.1 Ų45.122%0.2224%0.237CC..Hα-helixtrans-62.9-43.2175.2-78.8164.8-53.800111.1T248 S254 A255 F373T248-Q251 WeakPolarHBondContact O-CB 3.44Å; T248-Q251 PolarHBondContact O-N 3.35Å; T248-Q251 VanDerWaalsContact OG1-CG 3.28Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.24Å; T248-Q251 PolarHBondContact OG1-N 3.46Å; T248-Q251 PolarHBondContact OG1-OE1 2.82Å; Q251-S254 PolarHBondContact O-N 3.39Å; Q251-A255 VanDerWaalsContact O-CB 3.27Å; Q251-A255 WeakPolarHBondContact O-CB 2.91Å; Q251-A255 PolarHBondContact O-N 3.24Å; Q251-F373 HydrophobicContact CB-CD2 4.39Å
252L96.5Very high94.7Very high0 Ų038.1 Ų38.10%021%0.205CC..Hα-helixtrans-61.6-49.4176.6-69.9166.6000111.6I247 T248 E249 Q250 S254 A255 R256 V279 I282 L283 M286 F373I247-L252 HydrophobicContact CG2-CD1 3.66Å; I247-L252 HydrophobicContact CG2-CD2 3.82Å; I247-L252 HydrophobicContact CG2-CG 3.51Å; T248-L252 PolarHBondContact O-N 3.16Å; T248-L252 VanDerWaalsContact O-N 3.17Å; E249-L252 PolarHBondContact O-N 3.16Å; Q250-L252 VanDerWaalsContact C-N 3.35Å; L252-S254 PolarHBondContact O-N 2.99Å; L252-A255 PolarHBondContact O-N 3.23Å; L252-R256 WeakPolarHBondContact O-CB 3.25Å; L252-R256 PolarHBondContact O-N 3.16Å; L252-V279 HydrophobicContact CB-CG1 4.05Å; L252-V279 HydrophobicContact CD2-CG1 3.94Å; L252-V279 HydrophobicContact CD2-CG2 4.49Å; L252-V279 WeakPolarHBondContact O-CG1 3.46Å; L252-I282 HydrophobicContact CD1-CB 4.32Å; L252-I282 HydrophobicContact CD1-CG2 3.67Å; L252-I282 HydrophobicContact CD2-CB 4.07Å; L252-I282 HydrophobicContact CD2-CD1 4.17Å; L252-I282 HydrophobicContact CD2-CG2 3.99Å; L252-L283 HydrophobicContact CB-CD1 4.28Å; L252-L283 HydrophobicContact CB-CD2 3.77Å; L252-L283 HydrophobicContact CB-CG 3.92Å; L252-L283 HydrophobicContact CD1-CD2 3.73Å; L252-L283 HydrophobicContact CD1-CG 3.99Å; L252-L283 HydrophobicContact CG-CD2 4.4Å; L252-L283 HydrophobicContact CG-CG 4.49Å; L252-M286 HydrophobicContact CD1-CE 4.37Å; L252-M286 HydrophobicContact CD1-SD 3.36Å; L252-M286 WeakPolarHBondContact CD1-SD 3.44Å; L252-F373 HydrophobicContact CD2-CE1 4.38Å; L252-F373 HydrophobicContact CD2-CE2 4.14Å; L252-F373 HydrophobicContact CD2-CZ 3.56Å
253K95.2Very high94.7Very high99 Ų9942 Ų4243%0.4322%0.216SC..Hα-helixtrans-59.5-46.9177.5-72174.1-178.7168.60111.7E249 Q250 A255 R256 D257E249-K253 HydrophobicContact CG-CD 4.36Å; E249-K253 WeakPolarHBondContact O-CG 3.42Å; E249-K253 PolarHBondContact O-N 2.86Å; E249-K253 WeakPolarHBondContact OE1-CE 3.45Å; E249-K253 IonicContact OE1-NZ 2.69Å; E249-K253 PolarHBondContact OE1-NZ 3.35Å; Q250-K253 PolarHBondContact O-N 3.48Å; K253-A255 PolarHBondContact O-N 2.89Å; K253-R256 WeakPolarHBondContact O-CB 3.44Å; K253-R256 PolarHBondContact O-N 2.87Å; K253-D257 VanDerWaalsContact O-CG 3.28Å; K253-D257 PolarHBondContact O-N 2.85Å
254S93.6Very high94.5Very high41 Ų4147.6 Ų47.629%0.28724%0.244SC..Hα-helixtrans-62.6-44.4179.3-540000111.6Q250 Q251 L252 R256 D257 D258Q250-S254 VanDerWaalsContact O-CB 3.31Å; Q250-S254 WeakPolarHBondContact O-CB 3.1Å; Q250-S254 PolarHBondContact O-N 2.95Å; Q250-S254 PolarHBondContact O-OG 2.99Å; Q251-S254 PolarHBondContact O-N 3.39Å; L252-S254 PolarHBondContact O-N 2.99Å; S254-R256 VanDerWaalsContact C-N 3.33Å; S254-R256 PolarHBondContact O-N 3.42Å; S254-D257 PolarHBondContact O-N 3.24Å; S254-D258 VanDerWaalsContact O-CB 3.28Å; S254-D258 WeakPolarHBondContact O-CB 3.43Å; S254-D258 PolarHBondContact O-N 3.28Å
255A96.1Very high94.1Very high1 Ų147.9 Ų47.91%0.00824%0.244CC..Hα-helixtrans-63.8-39.4177.800000111.8Q251 L252 K253 L259 T370 F373 F374Q251-A255 VanDerWaalsContact O-CB 3.27Å; Q251-A255 WeakPolarHBondContact O-CB 2.91Å; Q251-A255 PolarHBondContact O-N 3.24Å; L252-A255 PolarHBondContact O-N 3.23Å; K253-A255 PolarHBondContact O-N 2.89Å; A255-L259 WeakPolarHBondContact O-CB 3.26Å; A255-L259 VanDerWaalsContact O-CG 3.25Å; A255-L259 WeakPolarHBondContact O-CG 3.24Å; A255-L259 PolarHBondContact O-N 3.08Å; A255-T370 HydrophobicContact CB-CG2 4.05Å; A255-F373 HydrophobicContact CB-CD1 3.91Å; A255-F373 HydrophobicContact CB-CE1 4.21Å; A255-F374 HydrophobicContact CB-CE2 4.39Å
256R97.1Very high93.7Very high82 Ų8247.3 Ų47.331%0.30925%0.245SC..Hα-helixtrans-62.8-48.8176.1-170.2-172.7-179.6-73.5-8.2111.9L252 K253 S254 D258 L259 E260 I276 V279 D280L252-R256 WeakPolarHBondContact O-CB 3.25Å; L252-R256 PolarHBondContact O-N 3.16Å; K253-R256 WeakPolarHBondContact O-CB 3.44Å; K253-R256 PolarHBondContact O-N 2.87Å; S254-R256 VanDerWaalsContact C-N 3.33Å; S254-R256 PolarHBondContact O-N 3.42Å; R256-D258 VanDerWaalsContact C-N 3.29Å; R256-D258 PolarHBondContact O-N 2.71Å; R256-L259 PolarHBondContact O-N 3.11Å; R256-E260 VanDerWaalsContact O-CB 3.32Å; R256-E260 WeakPolarHBondContact O-CB 3.18Å; R256-E260 PolarHBondContact O-N 3.45Å; R256-I276 HydrophobicContact CG-CG2 4.39Å; R256-V279 HydrophobicContact CB-CG1 3.95Å; R256-D280 VanDerWaalsContact CD-OD1 3.25Å; R256-D280 WeakPolarHBondContact CD-OD1 3.44Å; R256-D280 IonicContact CZ-OD1 2.68Å; R256-D280 IonicContact NE-OD1 3.64Å; R256-D280 PolarHBondContact NE-OD1 2.96Å; R256-D280 IonicContact NE-OD2 3.25Å; R256-D280 IonicContact NH2-OD2 3.57Å
257D95.5Very high93.2Very high104 Ų10444.9 Ų44.956%0.55623%0.23SC*.Hα-helixtrans-63.9-38.1-179.2-67.1-18.5000111.3K253 S254 E260 G261K253-D257 VanDerWaalsContact O-CG 3.28Å; K253-D257 PolarHBondContact O-N 2.85Å; S254-D257 PolarHBondContact O-N 3.24Å; D257-E260 PolarHBondContact O-N 3.44Å; D257-G261 PolarHBondContact O-N 3.36Å
258D92.6Very high92.9Very high28 Ų2847 Ų4715%0.1524%0.24CC..Hα-helixtrans-64.5-49.2176.4-161.923.5000111.6S254 R256 E260 G261 L262 P366 T367 T370S254-D258 VanDerWaalsContact O-CB 3.28Å; S254-D258 WeakPolarHBondContact O-CB 3.43Å; S254-D258 PolarHBondContact O-N 3.28Å; R256-D258 VanDerWaalsContact C-N 3.29Å; R256-D258 PolarHBondContact O-N 2.71Å; D258-E260 VanDerWaalsContact C-N 3.34Å; D258-E260 PolarHBondContact O-N 2.98Å; D258-G261 PolarHBondContact O-N 3.32Å; D258-L262 WeakPolarHBondContact O-CG 3.46Å; D258-L262 PolarHBondContact O-N 2.7Å; D258-L262 VanDerWaalsContact O-N 3.15Å; D258-P366 WeakPolarHBondContact OD1-CA 3.37Å; D258-P366 VanDerWaalsContact OD2-CA 3.25Å; D258-P366 WeakPolarHBondContact OD2-CA 3.33Å; D258-P366 WeakPolarHBondContact OD2-CB 3.42Å; D258-T367 PolarHBondContact OD1-N 3.06Å; D258-T367 PolarHBondContact OD2-N 2.89Å; D258-T367 PolarHBondContact OD2-OG1 3.41Å; D258-T370 HydrophobicContact CB-CG2 4.49Å; D258-T370 WeakPolarHBondContact OD2-CB 3.42Å; D258-T370 PolarHBondContact OD2-OG1 3.49Å
259L95.8Very high92.9Very high0 Ų048.1 Ų48.10%025%0.247CC..Hα-helixtrans-63.7-37.2175.2-70.3173.7000112.7A255 R256 G261 L262 R263 L275 I276 L335 T370 F374A255-L259 WeakPolarHBondContact O-CB 3.26Å; A255-L259 VanDerWaalsContact O-CG 3.25Å; A255-L259 WeakPolarHBondContact O-CG 3.24Å; A255-L259 PolarHBondContact O-N 3.08Å; R256-L259 PolarHBondContact O-N 3.11Å; L259-G261 VanDerWaalsContact C-N 3.35Å; L259-L262 HydrophobicContact CD2-CD1 4.48Å; L259-L262 PolarHBondContact O-N 3.49Å; L259-R263 WeakPolarHBondContact O-CB 3.29Å; L259-R263 PolarHBondContact O-N 2.95Å; L259-L275 HydrophobicContact CD1-CB 3.58Å; L259-L275 HydrophobicContact CD2-CB 4.49Å; L259-L275 HydrophobicContact CD2-CD1 4.24Å; L259-I276 HydrophobicContact CB-CD1 3.96Å; L259-I276 HydrophobicContact CB-CG1 3.65Å; L259-I276 HydrophobicContact CD1-CG1 4.07Å; L259-L335 HydrophobicContact CD2-CD2 3.62Å; L259-T370 HydrophobicContact CG-CG2 4.49Å; L259-F374 HydrophobicContact CD1-CE2 3.7Å; L259-F374 HydrophobicContact CD1-CZ 3.64Å; L259-F374 HydrophobicContact CG-CE2 4.36Å
260E95.5Very high93Very high39 Ų3953.4 Ų53.418%0.18227%0.272CS..Hα-helixtrans-66.4-40.1177.2-176.160-166.800111.1R256 D257 D258 L262 R263 I264 I276R256-E260 VanDerWaalsContact O-CB 3.32Å; R256-E260 WeakPolarHBondContact O-CB 3.18Å; R256-E260 PolarHBondContact O-N 3.45Å; D257-E260 PolarHBondContact O-N 3.44Å; D258-E260 VanDerWaalsContact C-N 3.34Å; D258-E260 PolarHBondContact O-N 2.98Å; E260-L262 VanDerWaalsContact C-N 3.31Å; E260-L262 PolarHBondContact O-N 3.08Å; E260-R263 PolarHBondContact O-N 3.16Å; E260-R263 IonicContact OE1-CZ 2.72Å; E260-R263 IonicContact OE1-NE 3.5Å; E260-R263 IonicContact OE1-NH2 3.77Å; E260-R263 PolarHBondContact OE1-NH2 3.07Å; E260-R263 IonicContact OE2-CZ 2.7Å; E260-R263 IonicContact OE2-NE 3.58Å; E260-R263 PolarHBondContact OE2-NE 2.91Å; E260-R263 IonicContact OE2-NH2 3.71Å; E260-R263 PolarHBondContact OE2-NH2 3.21Å; E260-I264 HydrophobicContact CG-CD1 3.97Å; E260-I264 HydrophobicContact CG-CG1 4.46Å; E260-I264 VanDerWaalsContact O-CG1 3.28Å; E260-I264 WeakPolarHBondContact O-CG1 3.47Å; E260-I264 PolarHBondContact O-N 3.11Å; E260-I276 HydrophobicContact CB-CD1 4.4Å; E260-I276 WeakPolarHBondContact OE2-CD1 3.45Å
261G92.4Very high93.2Very high33 Ų3348.3 Ų48.334%0.3425%0.249SC..Hα-helixtrans-55.6-46.517200000112D257 D258 L259 I264 V265D257-G261 PolarHBondContact O-N 3.36Å; D258-G261 PolarHBondContact O-N 3.32Å; L259-G261 VanDerWaalsContact C-N 3.35Å; G261-I264 PolarHBondContact O-N 3.4Å; G261-V265 WeakPolarHBondContact O-CG2 3.43Å; G261-V265 PolarHBondContact O-N 3.11Å
262L91.2Very high93.3Very high2 Ų246 Ų461%0.0124%0.239CC..Hα-helixtrans-63.7-42175.7-63.4175.8000112.7D258 L259 E260 V265 G266 F267 L335 P364 P366D258-L262 WeakPolarHBondContact O-CG 3.46Å; D258-L262 PolarHBondContact O-N 2.7Å; D258-L262 VanDerWaalsContact O-N 3.15Å; L259-L262 HydrophobicContact CD2-CD1 4.48Å; L259-L262 PolarHBondContact O-N 3.49Å; E260-L262 VanDerWaalsContact C-N 3.31Å; E260-L262 PolarHBondContact O-N 3.08Å; L262-V265 CarbonylContact O-C 3.56Å; L262-V265 WeakPolarHBondContact O-CG2 3.06Å; L262-V265 PolarHBondContact O-N 3.35Å; L262-G266 PolarHBondContact O-N 3.32Å; L262-G266 VanDerWaalsContact O-N 3.09Å; L262-F267 HydrophobicContact CB-CB 4.39Å; L262-F267 HydrophobicContact CB-CD1 4.48Å; L262-F267 HydrophobicContact CD1-CD1 4.4Å; L262-F267 HydrophobicContact CD2-CD1 4.06Å; L262-F267 PolarHBondContact O-N 3.35Å; L262-L335 HydrophobicContact CD1-CD1 4.31Å; L262-P364 HydrophobicContact CD2-CB 4.2Å; L262-P364 WeakPolarHBondContact CD2-O 3.36Å; L262-P366 HydrophobicContact CD1-CB 3.72Å; L262-P366 HydrophobicContact CD1-CG 3.64Å
263R93.3Very high93.3Very high99 Ų9948.2 Ų48.237%0.37425%0.254SS..Hα-helixtrans-64-41.7179.2-168.1178.670.9136.86.2112L259 E260 G266 P269 C272 S273L259-R263 WeakPolarHBondContact O-CB 3.29Å; L259-R263 PolarHBondContact O-N 2.95Å; E260-R263 PolarHBondContact O-N 3.16Å; E260-R263 IonicContact OE1-CZ 2.72Å; E260-R263 IonicContact OE1-NE 3.5Å; E260-R263 IonicContact OE1-NH2 3.77Å; E260-R263 PolarHBondContact OE1-NH2 3.07Å; E260-R263 IonicContact OE2-CZ 2.7Å; E260-R263 IonicContact OE2-NE 3.58Å; E260-R263 PolarHBondContact OE2-NE 2.91Å; E260-R263 IonicContact OE2-NH2 3.71Å; E260-R263 PolarHBondContact OE2-NH2 3.21Å; R263-G266 VanDerWaalsContact O-CA 3.24Å; R263-G266 WeakPolarHBondContact O-CA 3.47Å; R263-G266 PolarHBondContact O-N 2.91Å; R263-P269 HydrophobicContact CG-CB 4.29Å; R263-C272 HydrophobicContact CB-CB 3.95Å; R263-C272 HydrophobicContact CG-CB 4.35Å; R263-S273 WeakPolarHBondContact CD-OG 3.44Å
264I91.8Very high93.4Very high120 Ų12045 Ų4562%0.61524%0.242SC*.Hα-helixtrans-63.9-42.2178.7-70.9167.1000111E260 G261 G266E260-I264 HydrophobicContact CG-CD1 3.97Å; E260-I264 HydrophobicContact CG-CG1 4.46Å; E260-I264 VanDerWaalsContact O-CG1 3.28Å; E260-I264 WeakPolarHBondContact O-CG1 3.47Å; E260-I264 PolarHBondContact O-N 3.11Å; G261-I264 PolarHBondContact O-N 3.4Å; I264-G266 PolarHBondContact O-N 2.85Å
265V86.8Confident93.5Very high43 Ų4343 Ų4326%0.26123%0.229SC..THydrogen-bonded Turntrans-775.1172.8-55.70000112.5G261 L262 F267 W348 R352 P364G261-V265 WeakPolarHBondContact O-CG2 3.43Å; G261-V265 PolarHBondContact O-N 3.11Å; L262-V265 CarbonylContact O-C 3.56Å; L262-V265 WeakPolarHBondContact O-CG2 3.06Å; L262-V265 PolarHBondContact O-N 3.35Å; V265-F267 VanDerWaalsContact C-N 3.29Å; V265-F267 HydrophobicContact CG2-CB 4.19Å; V265-F267 PolarHBondContact O-N 2.82Å; V265-W348 HydrophobicContact CG2-CH2 4.23Å; V265-W348 VanDerWaalsContact O-CH2 3.26Å; V265-W348 WeakPolarHBondContact O-CH2 3.38Å; V265-W348 WeakPolarHBondContact O-CZ2 3.26Å; V265-R352 VanDerWaalsContact C-CZ 3.41Å; V265-R352 PolarHBondContact O-NE 3.31Å; V265-R352 VanDerWaalsContact O-NE 3.11Å; V265-R352 PolarHBondContact O-NH1 3.13Å; V265-R352 PolarHBondContact O-NH2 3.31Å; V265-P364 HydrophobicContact CB-CG 4.23Å; V265-P364 HydrophobicContact CG1-CB 4.5Å; V265-P364 HydrophobicContact CG1-CG 4.12Å; V265-P364 HydrophobicContact CG2-CB 4.08Å; V265-P364 HydrophobicContact CG2-CG 3.66Å
266G87.8Confident93.6Very high14 Ų1443.5 Ų43.514%0.14423%0.231CC..THydrogen-bonded Turntrans5733.1178.100000115L262 R263 I264 W348 R352L262-G266 PolarHBondContact O-N 3.32Å; L262-G266 VanDerWaalsContact O-N 3.09Å; R263-G266 VanDerWaalsContact O-CA 3.24Å; R263-G266 WeakPolarHBondContact O-CA 3.47Å; R263-G266 PolarHBondContact O-N 2.91Å; I264-G266 PolarHBondContact O-N 2.85Å; G266-W348 WeakPolarHBondContact O-CZ2 3.39Å; G266-R352 VanDerWaalsContact CA-NH1 3.26Å; G266-R352 PolarHBondContact O-NH1 3.35Å; G266-R352 VanDerWaalsContact O-NH1 3.11Å
267F87Confident93.5Very high10 Ų1042.5 Ų42.54%0.04424%0.241CC..SBendtrans-81.3115.5168-175.5-111.4000108.7L262 V265 C272 L335 I339 Y345 W348L262-F267 HydrophobicContact CB-CB 4.39Å; L262-F267 HydrophobicContact CB-CD1 4.48Å; L262-F267 HydrophobicContact CD1-CD1 4.4Å; L262-F267 HydrophobicContact CD2-CD1 4.06Å; L262-F267 PolarHBondContact O-N 3.35Å; V265-F267 VanDerWaalsContact C-N 3.29Å; V265-F267 HydrophobicContact CG2-CB 4.19Å; V265-F267 PolarHBondContact O-N 2.82Å; F267-C272 PolarHBondContact O-SG 3.48Å; F267-C272 VanDerWaalsContact O-SG 3.35Å; F267-L335 HydrophobicContact CD1-CD1 3.95Å; F267-L335 HydrophobicContact CE1-CD1 3.7Å; F267-I339 HydrophobicContact CE1-CD1 4.39Å; F267-I339 HydrophobicContact CE1-CG1 3.77Å; F267-I339 HydrophobicContact CZ-CG1 3.99Å; F267-Y345 HydrophobicContact CD1-CE2 4.48Å; F267-Y345 AromaticContact CD2-CD2 3.98Å; F267-Y345 HydrophobicContact CD2-CD2 3.98Å; F267-Y345 AromaticContact CD2-CE2 3.82Å; F267-Y345 HydrophobicContact CD2-CE2 3.82Å; F267-Y345 HydrophobicContact CE1-CD2 4.46Å; F267-Y345 HydrophobicContact CE1-CE2 4.29Å; F267-Y345 AromaticContact CE2-CD2 3.36Å; F267-Y345 HydrophobicContact CE2-CD2 3.36Å; F267-Y345 AromaticContact CE2-CE2 3.64Å; F267-Y345 HydrophobicContact CE2-CE2 3.64Å; F267-Y345 HydrophobicContact CG-CE2 4.25Å; F267-Y345 AromaticContact CZ-CD2 3.62Å; F267-Y345 HydrophobicContact CZ-CD2 3.62Å; F267-Y345 AromaticContact CZ-CE2 3.87Å; F267-Y345 HydrophobicContact CZ-CE2 3.87Å; F267-W348 HydrophobicContact CB-CH2 3.51Å; F267-W348 HydrophobicContact CB-CZ2 3.96Å; F267-W348 HydrophobicContact CB-CZ3 4.01Å; F267-W348 HydrophobicContact CD2-CD2 4.22Å; F267-W348 AromaticContact CD2-CE3 3.92Å; F267-W348 HydrophobicContact CD2-CE3 3.92Å; F267-W348 AromaticContact CD2-CH2 3.96Å; F267-W348 HydrophobicContact CD2-CH2 3.96Å; F267-W348 HydrophobicContact CD2-CZ2 4.19Å; F267-W348 AromaticContact CD2-CZ3 3.8Å; F267-W348 HydrophobicContact CD2-CZ3 3.8Å; F267-W348 HydrophobicContact CG-CH2 4.2Å; F267-W348 HydrophobicContact CG-CZ3 4.28Å
268E90.3Very high93.6Very high44 Ų4437.7 Ų37.721%0.20622%0.215CC..SBendtrans42.357.2-178.6-70.7-63.1161.500113.7E270 A271 C272 K334 L335E268-E270 VanDerWaalsContact C-N 3.29Å; E268-E270 PolarHBondContact O-N 3.47Å; E268-A271 HydrophobicContact CB-CB 4.18Å; E268-A271 PolarHBondContact O-N 3.23Å; E268-C272 PolarHBondContact O-N 3.41Å; E268-C272 PolarHBondContact O-SG 2.72Å; E268-K334 WeakPolarHBondContact OE1-CE 3.18Å; E268-K334 IonicContact OE1-NZ 2.82Å; E268-K334 WeakPolarHBondContact OE2-CD 3.43Å; E268-K334 WeakPolarHBondContact OE2-CE 3.35Å; E268-K334 IonicContact OE2-NZ 3.4Å; E268-K334 PolarHBondContact OE2-NZ 2.7Å; E268-L335 HydrophobicContact CB-CD1 4.07Å
269P93Very high93.8Very high59 Ų5936.3 Ų36.338%0.38321%0.207SC..Hα-helixtrans-64.8-31.1-16726-34.9000113.4R263 S273R263-P269 HydrophobicContact CG-CB 4.29Å; P269-S273 WeakPolarHBondContact O-CB 3.22Å; P269-S273 PolarHBondContact O-N 3.3Å; P269-S273 PolarHBondContact O-OG 2.93Å
270E95.8Very high93.9Very high145 Ų14538.8 Ų38.868%0.67822%0.22SC*.Hα-helixtrans-67.8-50.1175.5-66.7-179.7172.100110.9E268 C272 S273 T274E268-E270 VanDerWaalsContact C-N 3.29Å; E268-E270 PolarHBondContact O-N 3.47Å; E270-C272 VanDerWaalsContact C-N 3.33Å; E270-C272 PolarHBondContact O-N 3.49Å; E270-S273 WeakPolarHBondContact O-CB 3.45Å; E270-S273 PolarHBondContact O-N 3.48Å; E270-S273 VanDerWaalsContact O-N 3.08Å; E270-T274 PolarHBondContact O-N 3.2Å; E270-T274 PolarHBondContact O-OG1 3Å
271A95.4Very high93.8Very high4 Ų437.1 Ų37.13%0.03321%0.214CC..Hα-helixtrans-61.1-43.3177.500000111.5E268 S273 T274 L275 A331 L335E268-A271 HydrophobicContact CB-CB 4.18Å; E268-A271 PolarHBondContact O-N 3.23Å; A271-S273 VanDerWaalsContact C-N 3.31Å; A271-S273 PolarHBondContact O-N 2.76Å; A271-T274 PolarHBondContact O-N 3.24Å; A271-L275 VanDerWaalsContact O-CG 3.31Å; A271-L275 WeakPolarHBondContact O-CG 3.49Å; A271-L275 PolarHBondContact O-N 2.87Å; A271-A331 HydrophobicContact CB-CB 4.08Å; A271-L335 HydrophobicContact CB-CB 4.46Å
272C96.1Very high94Very high0 Ų035.8 Ų35.80%020%0.199CC..Hα-helixtrans-59.9-42.2174.4-660000111.3R263 F267 E268 E270 L275 I276R263-C272 HydrophobicContact CB-CB 3.95Å; R263-C272 HydrophobicContact CG-CB 4.35Å; F267-C272 PolarHBondContact O-SG 3.48Å; F267-C272 VanDerWaalsContact O-SG 3.35Å; E268-C272 PolarHBondContact O-N 3.41Å; E268-C272 PolarHBondContact O-SG 2.72Å; E270-C272 VanDerWaalsContact C-N 3.33Å; E270-C272 PolarHBondContact O-N 3.49Å; C272-L275 PolarHBondContact O-N 3.36Å; C272-I276 WeakPolarHBondContact O-CB 3.21Å; C272-I276 WeakPolarHBondContact O-CD1 3.48Å; C272-I276 WeakPolarHBondContact O-CG1 3.47Å; C272-I276 PolarHBondContact O-N 2.97Å
273S97.1Very high94.2Very high46 Ų4636.5 Ų36.532%0.32220%0.202SC..Hα-helixtrans-64.5-43.4179-61.30000112.3R263 P269 E270 A271 L275 I276 A277R263-S273 WeakPolarHBondContact CD-OG 3.44Å; P269-S273 WeakPolarHBondContact O-CB 3.22Å; P269-S273 PolarHBondContact O-N 3.3Å; P269-S273 PolarHBondContact O-OG 2.93Å; E270-S273 WeakPolarHBondContact O-CB 3.45Å; E270-S273 PolarHBondContact O-N 3.48Å; E270-S273 VanDerWaalsContact O-N 3.08Å; A271-S273 VanDerWaalsContact C-N 3.31Å; A271-S273 PolarHBondContact O-N 2.76Å; S273-L275 PolarHBondContact O-N 3.08Å; S273-I276 PolarHBondContact O-N 3.4Å; S273-A277 WeakPolarHBondContact O-CB 3.22Å; S273-A277 PolarHBondContact O-N 3.23Å
274T97Very high94.2Very high31 Ų3138.7 Ų38.719%0.1921%0.211CC..Hα-helixtrans-61.2-43.5176-590000111.4E270 A271 A277 M278 E327 Q328 A331E270-T274 PolarHBondContact O-N 3.2Å; E270-T274 PolarHBondContact O-OG1 3Å; A271-T274 PolarHBondContact O-N 3.24Å; T274-A277 PolarHBondContact O-N 3.02Å; T274-M278 PolarHBondContact O-N 3.3Å; T274-E327 HydrophobicContact CG2-CG 4.45Å; T274-Q328 HydrophobicContact CG2-CG 3.94Å; T274-A331 HydrophobicContact CG2-CB 4.02Å
275L97Very high94.3Very high0 Ų033.2 Ų33.20%018%0.183CC..Hα-helixtrans-73.4-34.3179.4-63.6175.3000113L259 A271 C272 S273 M278 V279 A331 Y332 L335 F374 F378L259-L275 HydrophobicContact CD1-CB 3.58Å; L259-L275 HydrophobicContact CD2-CB 4.49Å; L259-L275 HydrophobicContact CD2-CD1 4.24Å; A271-L275 VanDerWaalsContact O-CG 3.31Å; A271-L275 WeakPolarHBondContact O-CG 3.49Å; A271-L275 PolarHBondContact O-N 2.87Å; C272-L275 PolarHBondContact O-N 3.36Å; S273-L275 PolarHBondContact O-N 3.08Å; L275-M278 WeakPolarHBondContact O-CB 3.42Å; L275-M278 PolarHBondContact O-N 3.33Å; L275-V279 WeakPolarHBondContact O-CG2 3.28Å; L275-V279 PolarHBondContact O-N 2.93Å; L275-A331 HydrophobicContact CG-CB 4.44Å; L275-Y332 HydrophobicContact CD1-CD2 4.34Å; L275-L335 HydrophobicContact CD1-CD2 3.77Å; L275-F374 HydrophobicContact CB-CE1 4.13Å; L275-F374 HydrophobicContact CB-CZ 3.87Å; L275-F374 HydrophobicContact CD1-CZ 4.49Å; L275-F374 HydrophobicContact CD2-CD1 4.14Å; L275-F374 HydrophobicContact CD2-CE1 3.84Å; L275-F374 HydrophobicContact CD2-CZ 4.37Å; L275-F374 HydrophobicContact CG-CE1 4.41Å; L275-F374 HydrophobicContact CG-CZ 4.47Å; L275-F378 HydrophobicContact CD2-CE2 4.35Å; L275-F378 HydrophobicContact CD2-CZ 4.24Å
276I97.2Very high94.7Very high10 Ų1031.2 Ų31.25%0.05117%0.171CC..Hα-helixtrans-63-44.7171.8-72.1163.3000110R256 L259 E260 C272 S273 M278 V279 D280R256-I276 HydrophobicContact CG-CG2 4.39Å; L259-I276 HydrophobicContact CB-CD1 3.96Å; L259-I276 HydrophobicContact CB-CG1 3.65Å; L259-I276 HydrophobicContact CD1-CG1 4.07Å; E260-I276 HydrophobicContact CB-CD1 4.4Å; E260-I276 WeakPolarHBondContact OE2-CD1 3.45Å; C272-I276 WeakPolarHBondContact O-CB 3.21Å; C272-I276 WeakPolarHBondContact O-CD1 3.48Å; C272-I276 WeakPolarHBondContact O-CG1 3.47Å; C272-I276 PolarHBondContact O-N 2.97Å; S273-I276 PolarHBondContact O-N 3.4Å; I276-M278 VanDerWaalsContact C-N 3.25Å; I276-M278 PolarHBondContact O-N 2.79Å; I276-V279 PolarHBondContact O-N 2.98Å; I276-D280 WeakPolarHBondContact O-CB 3.27Å; I276-D280 PolarHBondContact O-N 2.81Å
277A96.1Very high94.8Very high62 Ų6236 Ų3651%0.51219%0.189SC..Hα-helixtrans-59.4-39.117600000111.6S273 T274 G281S273-A277 WeakPolarHBondContact O-CB 3.22Å; S273-A277 PolarHBondContact O-N 3.23Å; T274-A277 PolarHBondContact O-N 3.02Å; A277-G281 PolarHBondContact O-N 3.31Å
278M96Very high95Very high2 Ų241.1 Ų41.11%0.0122%0.217CC..Hα-helixtrans-59.4-51.1174-167.3-164.8-173.600111.4T274 L275 I276 G281 I282 L320 M325 Q328 F374 L377 F378 L381T274-M278 PolarHBondContact O-N 3.3Å; L275-M278 WeakPolarHBondContact O-CB 3.42Å; L275-M278 PolarHBondContact O-N 3.33Å; I276-M278 VanDerWaalsContact C-N 3.25Å; I276-M278 PolarHBondContact O-N 2.79Å; M278-G281 PolarHBondContact O-N 3.35Å; M278-I282 WeakPolarHBondContact O-CG1 3.18Å; M278-I282 PolarHBondContact O-N 2.87Å; M278-I282 VanDerWaalsContact O-N 3.1Å; M278-L320 HydrophobicContact CB-CD2 3.98Å; M278-L320 HydrophobicContact CE-CD2 4.4Å; M278-L320 HydrophobicContact CG-CD2 3.22Å; M278-M325 HydrophobicContact CE-SD 4.11Å; M278-Q328 HydrophobicContact SD-CB 4.44Å; M278-F374 HydrophobicContact SD-CD1 4.39Å; M278-F374 HydrophobicContact SD-CE1 4.02Å; M278-L377 HydrophobicContact CE-CD2 3.51Å; M278-L377 HydrophobicContact CE-CG 3.97Å; M278-L377 HydrophobicContact SD-CD2 4.07Å; M278-F378 HydrophobicContact CE-CE1 4.03Å; M278-F378 HydrophobicContact CE-CZ 4.07Å; M278-F378 HydrophobicContact SD-CE1 4.41Å; M278-F378 HydrophobicContact SD-CZ 3.89Å; M278-L381 HydrophobicContact CE-CD1 3.81Å
279V97.4Very high95.1Very high0 Ų039.4 Ų39.40%021%0.209CC..Hα-helixtrans-62.8-44.6179.5170.80000111.8L252 R256 L275 I276 G281 I282 L283 F373 F374L252-V279 HydrophobicContact CB-CG1 4.05Å; L252-V279 HydrophobicContact CD2-CG1 3.94Å; L252-V279 HydrophobicContact CD2-CG2 4.49Å; L252-V279 WeakPolarHBondContact O-CG1 3.46Å; R256-V279 HydrophobicContact CB-CG1 3.95Å; L275-V279 WeakPolarHBondContact O-CG2 3.28Å; L275-V279 PolarHBondContact O-N 2.93Å; I276-V279 PolarHBondContact O-N 2.98Å; V279-G281 VanDerWaalsContact C-N 3.27Å; V279-G281 PolarHBondContact O-N 2.81Å; V279-I282 PolarHBondContact O-N 3.09Å; V279-L283 HydrophobicContact CG1-CD1 4.13Å; V279-L283 PolarHBondContact O-N 3.05Å; V279-F373 HydrophobicContact CG2-CE1 4.19Å; V279-F374 HydrophobicContact CG2-CE1 4.22Å; V279-F374 HydrophobicContact CG2-CZ 3.73Å
280D96.8Very high95Very high51 Ų5140.2 Ų40.227%0.27321%0.21SC..Hα-helixtrans-63.7-34.1177.1-77.4-16.5000111.4R256 I276 R284R256-D280 VanDerWaalsContact CD-OD1 3.25Å; R256-D280 WeakPolarHBondContact CD-OD1 3.44Å; R256-D280 IonicContact CZ-OD1 2.68Å; R256-D280 IonicContact NE-OD1 3.64Å; R256-D280 PolarHBondContact NE-OD1 2.96Å; R256-D280 IonicContact NE-OD2 3.25Å; R256-D280 IonicContact NH2-OD2 3.57Å; I276-D280 WeakPolarHBondContact O-CB 3.27Å; I276-D280 PolarHBondContact O-N 2.81Å; D280-R284 VanDerWaalsContact O-CB 3.25Å; D280-R284 WeakPolarHBondContact O-CB 3.33Å; D280-R284 PolarHBondContact O-N 3.44Å
281G95.3Very high94.6Very high4 Ų438.5 Ų38.54%0.04121%0.214CC..Hα-helixtrans-61.6-47.4171.800000112.5A277 M278 V279 R284 V285A277-G281 PolarHBondContact O-N 3.31Å; M278-G281 PolarHBondContact O-N 3.35Å; V279-G281 VanDerWaalsContact C-N 3.27Å; V279-G281 PolarHBondContact O-N 2.81Å; G281-R284 PolarHBondContact O-N 3.28Å; G281-V285 WeakPolarHBondContact O-CG2 3.39Å; G281-V285 PolarHBondContact O-N 3.44Å
282I96.2Very high94.3Very high5 Ų546.7 Ų46.73%0.02624%0.244CC..Hα-helixtrans-63.5-47.2177.6-60.8172.7000110.4I247 L252 M278 V279 R284 V285 M286 L320 L377 L446I247-I282 HydrophobicContact CD1-CD1 4.36Å; L252-I282 HydrophobicContact CD1-CB 4.32Å; L252-I282 HydrophobicContact CD1-CG2 3.67Å; L252-I282 HydrophobicContact CD2-CB 4.07Å; L252-I282 HydrophobicContact CD2-CD1 4.17Å; L252-I282 HydrophobicContact CD2-CG2 3.99Å; M278-I282 WeakPolarHBondContact O-CG1 3.18Å; M278-I282 PolarHBondContact O-N 2.87Å; M278-I282 VanDerWaalsContact O-N 3.1Å; V279-I282 PolarHBondContact O-N 3.09Å; I282-R284 VanDerWaalsContact C-N 3.28Å; I282-R284 PolarHBondContact O-N 2.87Å; I282-V285 PolarHBondContact O-N 3.39Å; I282-M286 HydrophobicContact CG2-CG 4.48Å; I282-M286 HydrophobicContact CG2-SD 4.01Å; I282-M286 WeakPolarHBondContact O-CG 3.05Å; I282-M286 PolarHBondContact O-N 3.29Å; I282-L320 HydrophobicContact CB-CD1 4.46Å; I282-L320 HydrophobicContact CG1-CD1 3.47Å; I282-L320 VanDerWaalsContact CG1-CD1 3.47Å; I282-L377 HydrophobicContact CD1-CD2 3.83Å; I282-L446 HydrophobicContact CG2-CD2 3.85Å
283L95.6Very high94.1Very high17 Ų1748.1 Ų48.19%0.08925%0.251CS..Hα-helixtrans-57.3-42.7176.9-78.1170.7000111.6E249 L252 V279 M286 Q287E249-L283 HydrophobicContact CG-CD2 4.04Å; L252-L283 HydrophobicContact CB-CD1 4.28Å; L252-L283 HydrophobicContact CB-CD2 3.77Å; L252-L283 HydrophobicContact CB-CG 3.92Å; L252-L283 HydrophobicContact CD1-CD2 3.73Å; L252-L283 HydrophobicContact CD1-CG 3.99Å; L252-L283 HydrophobicContact CG-CD2 4.4Å; L252-L283 HydrophobicContact CG-CG 4.49Å; V279-L283 HydrophobicContact CG1-CD1 4.13Å; V279-L283 PolarHBondContact O-N 3.05Å; L283-M286 PolarHBondContact O-N 3.02Å; L283-Q287 WeakPolarHBondContact O-CB 3.18Å; L283-Q287 VanDerWaalsContact O-CG 3.26Å; L283-Q287 WeakPolarHBondContact O-CG 3.45Å; L283-Q287 PolarHBondContact O-N 2.89Å
284R93.5Very high93.7Very high145 Ų14550.3 Ų50.355%0.54726%0.263SS..Hα-helixtrans-62.5-43.5177.5-171.9-178.4-57.4-103.5-2.4111.8D280 G281 I282 M286 Q287 L288D280-R284 VanDerWaalsContact O-CB 3.25Å; D280-R284 WeakPolarHBondContact O-CB 3.33Å; D280-R284 PolarHBondContact O-N 3.44Å; G281-R284 PolarHBondContact O-N 3.28Å; I282-R284 VanDerWaalsContact C-N 3.28Å; I282-R284 PolarHBondContact O-N 2.87Å; R284-M286 VanDerWaalsContact C-N 3.35Å; R284-M286 PolarHBondContact O-N 3.41Å; R284-Q287 PolarHBondContact O-N 2.86Å; R284-L288 HydrophobicContact CG-CD1 3.82Å; R284-L288 HydrophobicContact CG-CG 4.25Å; R284-L288 WeakPolarHBondContact O-CB 3.41Å; R284-L288 VanDerWaalsContact O-CG 3.26Å; R284-L288 WeakPolarHBondContact O-CG 3.45Å; R284-L288 PolarHBondContact O-N 3.05Å
285V93.4Very high93.1Very high5 Ų555.8 Ų55.83%0.0328%0.28CS..Hα-helixtrans-60-45.5175.4168.40000111.1G281 I282 T289 L314 V318G281-V285 WeakPolarHBondContact O-CG2 3.39Å; G281-V285 PolarHBondContact O-N 3.44Å; I282-V285 PolarHBondContact O-N 3.39Å; V285-T289 WeakPolarHBondContact O-CB 3.4Å; V285-T289 PolarHBondContact O-N 2.89Å; V285-T289 PolarHBondContact O-OG1 2.98Å; V285-L314 HydrophobicContact CG1-CD2 3.69Å; V285-L314 HydrophobicContact CG1-CG 4.1Å; V285-L314 HydrophobicContact CG2-CG 4.25Å; V285-V318 HydrophobicContact CG2-CB 4.42Å; V285-V318 HydrophobicContact CG2-CG1 3.93Å; V285-V318 HydrophobicContact CG2-CG2 3.63Å
286M94.6Very high92.3Very high2 Ų260.3 Ų60.31%0.0132%0.317CS..Hα-helixtrans-61.5-46.7178-66.4173.266.400111.5E249 L252 I282 L283 R284 T289 L290 L399 L444 L446E249-M286 HydrophobicContact CB-CE 4.24Å; L252-M286 HydrophobicContact CD1-CE 4.37Å; L252-M286 HydrophobicContact CD1-SD 3.36Å; L252-M286 WeakPolarHBondContact CD1-SD 3.44Å; I282-M286 HydrophobicContact CG2-CG 4.48Å; I282-M286 HydrophobicContact CG2-SD 4.01Å; I282-M286 WeakPolarHBondContact O-CG 3.05Å; I282-M286 PolarHBondContact O-N 3.29Å; L283-M286 PolarHBondContact O-N 3.02Å; R284-M286 VanDerWaalsContact C-N 3.35Å; R284-M286 PolarHBondContact O-N 3.41Å; M286-T289 PolarHBondContact O-N 2.81Å; M286-L290 PolarHBondContact O-N 3.48Å; M286-L290 VanDerWaalsContact O-N 3.16Å; M286-L399 HydrophobicContact CB-CD1 4.07Å; M286-L399 HydrophobicContact CE-CD1 4.05Å; M286-L399 HydrophobicContact CG-CD1 3.84Å; M286-L399 WeakPolarHBondContact O-CD2 3.49Å; M286-L444 HydrophobicContact CB-CD1 4.25Å; M286-L444 HydrophobicContact CE-CB 3.43Å; M286-L444 VanDerWaalsContact CE-CB 3.43Å; M286-L446 HydrophobicContact CE-CB 4.41Å; M286-L446 HydrophobicContact CG-CB 4.27Å; M286-L446 HydrophobicContact SD-CB 4.08Å
287Q90.9Very high91.2Very high114 Ų11461.3 Ų61.353%0.53333%0.331SS..Hα-helixtrans-67.3-45.3-178.6-73172.5-6.700112.9L283 R284 T289 L290L283-Q287 WeakPolarHBondContact O-CB 3.18Å; L283-Q287 VanDerWaalsContact O-CG 3.26Å; L283-Q287 WeakPolarHBondContact O-CG 3.45Å; L283-Q287 PolarHBondContact O-N 2.89Å; R284-Q287 PolarHBondContact O-N 2.86Å; Q287-T289 PolarHBondContact O-N 2.7Å; Q287-L290 WeakPolarHBondContact O-CB 3.27Å; Q287-L290 PolarHBondContact O-N 3.09Å
288L89.9Confident89.9Confident118 Ų11867.5 Ų67.562%0.61835%0.349SS*.Hα-helixtrans-65.5-25.3178.9-70.9175.5000112.6R284R284-L288 HydrophobicContact CG-CD1 3.82Å; R284-L288 HydrophobicContact CG-CG 4.25Å; R284-L288 WeakPolarHBondContact O-CB 3.41Å; R284-L288 VanDerWaalsContact O-CG 3.26Å; R284-L288 WeakPolarHBondContact O-CG 3.45Å; R284-L288 PolarHBondContact O-N 3.05Å
289T92.4Very high88.7Confident8 Ų874.1 Ų74.15%0.04939%0.39CS..Hα-helixtrans-87.9-17.1178.6-51.80000112.7V285 M286 Q287 S291 R292 L293 Q304 W306 L399V285-T289 WeakPolarHBondContact O-CB 3.4Å; V285-T289 PolarHBondContact O-N 2.89Å; V285-T289 PolarHBondContact O-OG1 2.98Å; M286-T289 PolarHBondContact O-N 2.81Å; Q287-T289 PolarHBondContact O-N 2.7Å; T289-S291 PolarHBondContact O-N 3.35Å; T289-S291 VanDerWaalsContact O-N 3.1Å; T289-R292 HydrophobicContact CG2-CB 4.32Å; T289-R292 WeakPolarHBondContact O-CA 3.25Å; T289-R292 WeakPolarHBondContact O-CB 3.23Å; T289-R292 PolarHBondContact O-N 2.97Å; T289-L293 PolarHBondContact O-N 3.24Å; T289-Q304 HydrophobicContact CG2-CB 3.69Å; T289-Q304 HydrophobicContact CG2-CG 3.63Å; T289-W306 HydrophobicContact CG2-CH2 3.52Å; T289-W306 HydrophobicContact CG2-CZ2 3.37Å; T289-W306 WeakPolarHBondContact OG1-CZ2 3.47Å; T289-L399 HydrophobicContact CG2-CD2 3.76Å
290L90.6Very high87.5Confident76 Ų7676.8 Ų76.840%0.39841%0.406SS..Hα-helixtrans-51.4-41.3-176.6178.764.9000113M286 Q287 R292 L293 L444M286-L290 PolarHBondContact O-N 3.48Å; M286-L290 VanDerWaalsContact O-N 3.16Å; Q287-L290 WeakPolarHBondContact O-CB 3.27Å; Q287-L290 PolarHBondContact O-N 3.09Å; L290-R292 PolarHBondContact O-N 3.38Å; L290-L293 HydrophobicContact CD1-CD1 3.89Å; L290-L293 WeakPolarHBondContact O-CG 3.34Å; L290-L293 PolarHBondContact O-N 3.14Å; L290-L444 HydrophobicContact CD1-CD1 4.16Å; L290-L444 HydrophobicContact CD1-CD2 3.84Å; L290-L444 HydrophobicContact CD1-CG 4.38Å
291S87.9Confident86.9Confident109 Ų10979.1 Ų79.176%0.76242%0.415SS*.THydrogen-bonded Turntrans-72-10.8178.759.70000114.5T289T289-S291 PolarHBondContact O-N 3.35Å; T289-S291 VanDerWaalsContact O-N 3.1Å
292R89.1Confident86.6Confident175 Ų17579.5 Ų79.566%0.6642%0.417SS*.THydrogen-bonded Turntrans-101.9-1.6-179-58.5-177.5177-176.1-1.4113.3T289 L290 V294T289-R292 HydrophobicContact CG2-CB 4.32Å; T289-R292 WeakPolarHBondContact O-CA 3.25Å; T289-R292 WeakPolarHBondContact O-CB 3.23Å; T289-R292 PolarHBondContact O-N 2.97Å; L290-R292 PolarHBondContact O-N 3.38Å; R292-V294 WeakPolarHBondContact O-CG2 3.11Å; R292-V294 PolarHBondContact O-N 2.6Å
293L91.7Very high86.5Confident30 Ų3081.2 Ų81.216%0.15743%0.427CS..  trans-62.2131.4178.6-63.1179.8000110.7T289 L290 P302 Q304 L399 E401 L444T289-L293 PolarHBondContact O-N 3.24Å; L290-L293 HydrophobicContact CD1-CD1 3.89Å; L290-L293 WeakPolarHBondContact O-CG 3.34Å; L290-L293 PolarHBondContact O-N 3.14Å; L293-P302 HydrophobicContact CB-CB 3.69Å; L293-P302 HydrophobicContact CD1-CB 4.1Å; L293-Q304 HydrophobicContact CD2-CB 3.84Å; L293-L399 HydrophobicContact CD2-CB 4.24Å; L293-L399 HydrophobicContact CD2-CD2 4Å; L293-L399 HydrophobicContact CD2-CG 4.03Å; L293-E401 HydrophobicContact CD1-CB 3.81Å; L293-L444 HydrophobicContact CD1-CD2 4.15Å
294V88.4Confident86.4Confident93 Ų9382.8 Ų82.856%0.56443%0.434SS*.BIsolated β-bridgetrans-111.4139.2179.6-174.10000109.4R292 T303R292-V294 WeakPolarHBondContact O-CG2 3.11Å; R292-V294 PolarHBondContact O-N 2.6Å; V294-T303 PolarHBondContact N-O 3.41Å; V294-T303 PolarHBondContact O-N 3.48Å
295R85.4Confident86.5Confident145 Ų14579.2 Ų79.255%0.54743%0.429SS..  trans-91.5123.4168.5-72.5-176.2-165.3-119.5-4.8109.4G297 P302R295-G297 PolarHBondContact O-N 3.45Å; R295-P302 HydrophobicContact CG-CB 4.14Å; R295-P302 HydrophobicContact CG-CG 3.83Å
296A79.7Confident86.6Confident95 Ų9580 Ų8079%0.78543%0.431SS*.SBendtrans-80-3.9175.800000113.1T300A296-T300 PolarHBondContact N-OG1 3.25Å
297G74.6Confident86.7Confident32 Ų3282.2 Ų82.233%0.3345%0.445SS..SBendtrans176174.4179.100000111.9R295 T299 T300R295-G297 PolarHBondContact O-N 3.45Å; G297-T299 VanDerWaalsContact C-N 3.26Å; G297-T299 PolarHBondContact O-N 2.95Å; G297-T300 PolarHBondContact N-OG1 2.69Å; G297-T300 PolarHBondContact O-N 2.68Å; G297-T300 PolarHBondContact O-OG1 3.33Å
298E68.9Low86.9Confident192 Ų19276.8 Ų76.890%0.89742%0.419SS*.THydrogen-bonded Turntrans-63.3-31-175.5-67.9-178.4170.400113.4
299T70.2Confident87Confident141 Ų14180.4 Ų80.487%0.86543%0.425SS*.THydrogen-bonded Turntrans-100.7-5-176.357.40000114G297G297-T299 VanDerWaalsContact C-N 3.26Å; G297-T299 PolarHBondContact O-N 2.95Å
300T72.5Confident87.2Confident56 Ų5685 Ų8534%0.34445%0.446SS..SBendtrans-91142.6-178.158.30000111.1A296 G297A296-T300 PolarHBondContact N-OG1 3.25Å; G297-T300 PolarHBondContact N-OG1 2.69Å; G297-T300 PolarHBondContact O-N 2.68Å; G297-T300 PolarHBondContact O-OG1 3.33Å
301Q83.6Confident87.3Confident99 Ų9981.4 Ų81.446%0.46343%0.427SS..PPolyproline II helixtrans-64.4144.1174.5-71173.3-2000109.6T303 V400Q301-T303 WeakPolarHBondContact O-CG2 3.43Å; Q301-T303 PolarHBondContact O-N 2.9Å; Q301-V400 HydrophobicContact CB-CG1 3.8Å; Q301-V400 HydrophobicContact CG-CG1 4.5Å
302P89.2Confident87.6Confident12 Ų1276.8 Ų76.88%0.07840%0.395CS..PPolyproline II helixtrans-58.2127170.5-18.929.3000110.2L293 R295 E401L293-P302 HydrophobicContact CB-CB 3.69Å; L293-P302 HydrophobicContact CD1-CB 4.1Å; R295-P302 HydrophobicContact CG-CB 4.14Å; R295-P302 HydrophobicContact CG-CG 3.83Å; P302-E401 HydrophobicContact CB-CB 4.28Å; P302-E401 HydrophobicContact CG-CB 4.24Å; P302-E401 PolarHBondContact O-N 2.99Å; P302-E401 VanDerWaalsContact O-N 3.08Å
303T93.8Very high87.8Confident41 Ų4170.4 Ų70.425%0.25238%0.383SS..EExtended strand (participates in β ladder)trans-135.5155.2-17861.70000112.8V294 Q301 V398 L399 V400V294-T303 PolarHBondContact N-O 3.41Å; V294-T303 PolarHBondContact O-N 3.48Å; Q301-T303 WeakPolarHBondContact O-CG2 3.43Å; Q301-T303 PolarHBondContact O-N 2.9Å; T303-V398 HydrophobicContact CG2-CG1 4.31Å; T303-L399 CarbonylContact C-O 3.57Å; T303-L399 WeakPolarHBondContact CA-O 3.31Å; T303-V400 HydrophobicContact CG2-CB 4.26Å; T303-V400 HydrophobicContact CG2-CG1 4.04Å; T303-V400 HydrophobicContact CG2-CG2 3.77Å
304Q95.1Very high87.8Confident50 Ų5071.4 Ų71.423%0.23439%0.388CS..EExtended strand (participates in β ladder)trans-125.8128.4161.5174.863.938.100107.7T289 L293 W306 V398 L399T289-Q304 HydrophobicContact CG2-CB 3.69Å; T289-Q304 HydrophobicContact CG2-CG 3.63Å; L293-Q304 HydrophobicContact CD2-CB 3.84Å; Q304-W306 HydrophobicContact CB-CH2 4.27Å; Q304-W306 HydrophobicContact CB-CZ2 4.32Å; Q304-W306 HydrophobicContact CG-CD2 4.06Å; Q304-W306 HydrophobicContact CG-CE3 4.38Å; Q304-W306 HydrophobicContact CG-CH2 3.86Å; Q304-W306 HydrophobicContact CG-CZ2 3.45Å; Q304-W306 VanDerWaalsContact CG-CZ2 3.45Å; Q304-W306 HydrophobicContact CG-CZ3 4.28Å; Q304-V398 CarbonylContact O-C 3.53Å; Q304-V398 WeakPolarHBondContact O-CA 3.48Å; Q304-L399 HydrophobicContact CB-CB 4.46Å; Q304-L399 PolarHBondContact N-O 3.33Å; Q304-L399 PolarHBondContact O-N 3.42Å
305V94.8Very high87.9Confident70 Ų7067.2 Ų67.242%0.42436%0.363SS..EExtended strand (participates in β ladder)trans-109.1137.9179.1-178.30000109R396 V398V305-R396 HydrophobicContact CG1-CB 4.44Å; V305-V398 HydrophobicContact CG1-CG2 4.26Å; V305-V398 HydrophobicContact CG2-CG1 4.05Å; V305-V398 HydrophobicContact CG2-CG2 4.1Å
306W96.3Very high88.2Confident23 Ų2362.7 Ų62.79%0.08735%0.353CS..EExtended strand (participates in β ladder)trans-124.9141.5170.2-60.7-80.4000110.3T289 Q304 E310 I311 L314 R396 V397 L399 L446T289-W306 HydrophobicContact CG2-CH2 3.52Å; T289-W306 HydrophobicContact CG2-CZ2 3.37Å; T289-W306 WeakPolarHBondContact OG1-CZ2 3.47Å; Q304-W306 HydrophobicContact CB-CH2 4.27Å; Q304-W306 HydrophobicContact CB-CZ2 4.32Å; Q304-W306 HydrophobicContact CG-CD2 4.06Å; Q304-W306 HydrophobicContact CG-CE3 4.38Å; Q304-W306 HydrophobicContact CG-CH2 3.86Å; Q304-W306 HydrophobicContact CG-CZ2 3.45Å; Q304-W306 VanDerWaalsContact CG-CZ2 3.45Å; Q304-W306 HydrophobicContact CG-CZ3 4.28Å; W306-E310 HydrophobicContact CB-CB 4.07Å; W306-E310 HydrophobicContact CG-CB 4.44Å; W306-I311 HydrophobicContact CB-CB 3.94Å; W306-I311 HydrophobicContact CD2-CD1 4.08Å; W306-I311 HydrophobicContact CE3-CD1 3.94Å; W306-I311 HydrophobicContact CG-CB 4.46Å; W306-I311 HydrophobicContact CG-CD1 4.44Å; W306-I311 HydrophobicContact CZ3-CD1 4.33Å; W306-L314 HydrophobicContact CZ2-CD2 3.8Å; W306-R396 WeakPolarHBondContact O-CA 3.49Å; W306-R396 WeakPolarHBondContact O-CD 3.22Å; W306-V397 HydrophobicContact CE3-CB 4.38Å; W306-V397 HydrophobicContact CE3-CG1 4.2Å; W306-V397 HydrophobicContact CZ3-CG1 4.49Å; W306-V397 PolarHBondContact N-O 3.27Å; W306-V397 PolarHBondContact O-N 2.91Å; W306-L399 HydrophobicContact CH2-CB 3.83Å; W306-L399 HydrophobicContact CH2-CD2 4.38Å; W306-L399 HydrophobicContact CZ3-CB 3.7Å; W306-L446 HydrophobicContact CZ3-CD1 3.95Å
307T96.7Very high88.7Confident48 Ų4863.4 Ų63.429%0.29435%0.348SS..EExtended strand (participates in β ladder)trans-63.6157.2158.664.90000110.1R309 E310 I311T307-R309 PolarHBondContact O-N 2.85Å; T307-E310 WeakPolarHBondContact CB-OE2 3.4Å; T307-E310 WeakPolarHBondContact CG2-OE2 3.25Å; T307-E310 PolarHBondContact N-OE2 3.41Å; T307-E310 PolarHBondContact O-N 3.4Å; T307-E310 VanDerWaalsContact O-N 3.13Å; T307-E310 VanDerWaalsContact OG1-CD 3.23Å; T307-E310 VanDerWaalsContact OG1-CG 3.25Å; T307-E310 WeakPolarHBondContact OG1-CG 3.12Å; T307-E310 PolarHBondContact OG1-N 3.21Å; T307-E310 PolarHBondContact OG1-OE2 3.4Å; T307-I311 PolarHBondContact O-N 3.49Å
308G93.4Very high89.5Confident0 Ų063.6 Ų63.60%034%0.343CS..Hα-helixtrans-56.7-33.6176.600000113.8I311 C312 L392 Y395G308-I311 VanDerWaalsContact O-CG2 3.3Å; G308-I311 WeakPolarHBondContact O-CG2 3.45Å; G308-C312 WeakPolarHBondContact O-CB 3.29Å; G308-C312 PolarHBondContact O-N 3.31Å; G308-L392 VanDerWaalsContact C-CG 3.41Å; G308-L392 VanDerWaalsContact CA-O 3.27Å; G308-L392 WeakPolarHBondContact CA-O 3.28Å; G308-L392 VanDerWaalsContact O-CD1 3.31Å; G308-L392 WeakPolarHBondContact O-CD1 3.39Å; G308-L392 WeakPolarHBondContact O-CG 3.41Å; G308-Y395 PolarHBondContact N-O 3.17Å
309R93.4Very high90.3Very high193 Ų19355.8 Ų55.873%0.72831%0.314SS*.Hα-helixtrans-67-44.6176-66.8-171.2-152.9166.77.1112.2T307 C312 G313 L392T307-R309 PolarHBondContact O-N 2.85Å; R309-C312 PolarHBondContact O-N 3.42Å; R309-G313 PolarHBondContact O-N 3.29Å; R309-L392 HydrophobicContact CG-CD2 4.12Å
310E95.2Very high91.1Very high106 Ų10649.4 Ų49.450%0.49527%0.274SS..Hα-helixtrans-63.8-45.7179.8-71.5162.9145.100111.5W306 T307 G313 L314W306-E310 HydrophobicContact CB-CB 4.07Å; W306-E310 HydrophobicContact CG-CB 4.44Å; T307-E310 WeakPolarHBondContact CB-OE2 3.4Å; T307-E310 WeakPolarHBondContact CG2-OE2 3.25Å; T307-E310 PolarHBondContact N-OE2 3.41Å; T307-E310 PolarHBondContact O-N 3.4Å; T307-E310 VanDerWaalsContact O-N 3.13Å; T307-E310 VanDerWaalsContact OG1-CD 3.23Å; T307-E310 VanDerWaalsContact OG1-CG 3.25Å; T307-E310 WeakPolarHBondContact OG1-CG 3.12Å; T307-E310 PolarHBondContact OG1-N 3.21Å; T307-E310 PolarHBondContact OG1-OE2 3.4Å; E310-G313 PolarHBondContact O-N 3.26Å; E310-L314 WeakPolarHBondContact O-CB 3.46Å; E310-L314 PolarHBondContact O-N 2.95Å
311I93.6Very high91.9Very high0 Ų046.8 Ų46.80%026%0.258CS..Hα-helixtrans-68.7-37.5179-167.363.9000111.8W306 T307 G308 G313 L314 M315 M384 V397W306-I311 HydrophobicContact CB-CB 3.94Å; W306-I311 HydrophobicContact CD2-CD1 4.08Å; W306-I311 HydrophobicContact CE3-CD1 3.94Å; W306-I311 HydrophobicContact CG-CB 4.46Å; W306-I311 HydrophobicContact CG-CD1 4.44Å; W306-I311 HydrophobicContact CZ3-CD1 4.33Å; T307-I311 PolarHBondContact O-N 3.49Å; G308-I311 VanDerWaalsContact O-CG2 3.3Å; G308-I311 WeakPolarHBondContact O-CG2 3.45Å; I311-G313 VanDerWaalsContact C-N 3.33Å; I311-G313 PolarHBondContact O-N 3.15Å; I311-L314 HydrophobicContact CD1-CD2 4.13Å; I311-L314 PolarHBondContact O-N 3.45Å; I311-M315 HydrophobicContact CD1-CE 3.87Å; I311-M315 HydrophobicContact CD1-CG 4.29Å; I311-M315 HydrophobicContact CG1-CE 3.57Å; I311-M315 HydrophobicContact CG1-CG 4.13Å; I311-M315 HydrophobicContact CG1-SD 3.93Å; I311-M315 VanDerWaalsContact O-CB 3.23Å; I311-M315 WeakPolarHBondContact O-CB 3.3Å; I311-M315 VanDerWaalsContact O-CG 3.31Å; I311-M315 WeakPolarHBondContact O-CG 3.5Å; I311-M315 PolarHBondContact O-N 2.58Å; I311-M384 HydrophobicContact CG2-CE 4.04Å; I311-V397 HydrophobicContact CB-CB 4.07Å; I311-V397 HydrophobicContact CB-CG2 4.16Å; I311-V397 HydrophobicContact CD1-CB 4.37Å; I311-V397 HydrophobicContact CD1-CG1 4.09Å; I311-V397 HydrophobicContact CG1-CB 3.83Å; I311-V397 HydrophobicContact CG1-CG1 3.91Å; I311-V397 HydrophobicContact CG1-CG2 3.96Å; I311-V397 HydrophobicContact CG2-CB 4.1Å; I311-V397 HydrophobicContact CG2-CG2 3.67Å
312C93.4Very high92.1Very high12 Ų1244.1 Ų44.18%0.08125%0.249CC..Hα-helixtrans-60.3-44.9174.7-178.30000111G308 R309 S316 F385 L392G308-C312 WeakPolarHBondContact O-CB 3.29Å; G308-C312 PolarHBondContact O-N 3.31Å; R309-C312 PolarHBondContact O-N 3.42Å; C312-S316 WeakPolarHBondContact O-CB 3.33Å; C312-S316 PolarHBondContact O-N 3.31Å; C312-S316 PolarHBondContact O-OG 2.91Å; C312-F385 HydrophobicContact CB-CE1 4.35Å; C312-L392 HydrophobicContact CB-CD1 4.22Å; C312-L392 HydrophobicContact CB-CD2 3.9Å
313G93.3Very high92Very high40 Ų4051 Ų5141%0.41228%0.28SS..Hα-helixtrans-60-48.4173.500000112.3R309 E310 I311 S316 T317R309-G313 PolarHBondContact O-N 3.29Å; E310-G313 PolarHBondContact O-N 3.26Å; I311-G313 VanDerWaalsContact C-N 3.33Å; I311-G313 PolarHBondContact O-N 3.15Å; G313-S316 WeakPolarHBondContact O-CB 3.31Å; G313-S316 PolarHBondContact O-N 2.91Å; G313-T317 WeakPolarHBondContact O-CG2 3.11Å; G313-T317 PolarHBondContact O-N 3.21Å
314L92.4Very high91.9Very high51 Ų5152.1 Ų52.127%0.26728%0.283SS..Hα-helixtrans-61.3-46.6178.8-179.158.3000112.2V285 W306 E310 I311 S316 T317V285-L314 HydrophobicContact CG1-CD2 3.69Å; V285-L314 HydrophobicContact CG1-CG 4.1Å; V285-L314 HydrophobicContact CG2-CG 4.25Å; W306-L314 HydrophobicContact CZ2-CD2 3.8Å; E310-L314 WeakPolarHBondContact O-CB 3.46Å; E310-L314 PolarHBondContact O-N 2.95Å; I311-L314 HydrophobicContact CD1-CD2 4.13Å; I311-L314 PolarHBondContact O-N 3.45Å; L314-S316 VanDerWaalsContact C-N 3.31Å; L314-S316 PolarHBondContact O-N 3.09Å; L314-T317 WeakPolarHBondContact O-CB 3.46Å; L314-T317 PolarHBondContact O-N 2.89Å; L314-T317 VanDerWaalsContact O-N 3.15Å; L314-T317 PolarHBondContact O-OG1 3.39Å
315M90.4Very high91.6Very high6 Ų650.6 Ų50.63%0.0328%0.276CS..Hα-helixtrans-61.5-39.2176.5-79.4-177.6177.900111.7I311 T317 V318 G319 L320 L446 F448I311-M315 HydrophobicContact CD1-CE 3.87Å; I311-M315 HydrophobicContact CD1-CG 4.29Å; I311-M315 HydrophobicContact CG1-CE 3.57Å; I311-M315 HydrophobicContact CG1-CG 4.13Å; I311-M315 HydrophobicContact CG1-SD 3.93Å; I311-M315 VanDerWaalsContact O-CB 3.23Å; I311-M315 WeakPolarHBondContact O-CB 3.3Å; I311-M315 VanDerWaalsContact O-CG 3.31Å; I311-M315 WeakPolarHBondContact O-CG 3.5Å; I311-M315 PolarHBondContact O-N 2.58Å; M315-T317 PolarHBondContact O-N 3Å; M315-V318 CarbonylContact O-C 3.59Å; M315-V318 WeakPolarHBondContact O-CG2 3.29Å; M315-V318 PolarHBondContact O-N 3.05Å; M315-G319 PolarHBondContact O-N 3.05Å; M315-L320 HydrophobicContact CB-CB 3.73Å; M315-L320 HydrophobicContact CG-CB 4.25Å; M315-L320 HydrophobicContact CG-CD1 4.48Å; M315-L320 WeakPolarHBondContact O-CA 3.38Å; M315-L320 WeakPolarHBondContact O-CB 3.35Å; M315-L320 PolarHBondContact O-N 2.92Å; M315-L446 HydrophobicContact CE-CD2 4.18Å; M315-F448 HydrophobicContact CE-CE1 3.77Å; M315-F448 HydrophobicContact CE-CZ 3.44Å; M315-F448 VanDerWaalsContact CE-CZ 3.44Å; M315-F448 HydrophobicContact SD-CE1 4.45Å
316S92.2Very high91.4Very high50 Ų5053.5 Ų53.535%0.3529%0.288SS..Hα-helixtrans-59.4-34.3175.6-58.50000112.3C312 G313 L314 V318 G319 G321C312-S316 WeakPolarHBondContact O-CB 3.33Å; C312-S316 PolarHBondContact O-N 3.31Å; C312-S316 PolarHBondContact O-OG 2.91Å; G313-S316 WeakPolarHBondContact O-CB 3.31Å; G313-S316 PolarHBondContact O-N 2.91Å; L314-S316 VanDerWaalsContact C-N 3.31Å; L314-S316 PolarHBondContact O-N 3.09Å; S316-V318 PolarHBondContact O-N 2.99Å; S316-G319 PolarHBondContact O-N 3.28Å; S316-G319 VanDerWaalsContact O-N 3.15Å; S316-G321 WeakPolarHBondContact OG-CA 3.34Å
317T90.4Very high91.3Very high110 Ų11058.1 Ų58.168%0.67531%0.31SS*.Hα-helixtrans-66.3-20.2177.172.20000114.3G313 L314 M315G313-T317 WeakPolarHBondContact O-CG2 3.11Å; G313-T317 PolarHBondContact O-N 3.21Å; L314-T317 WeakPolarHBondContact O-CB 3.46Å; L314-T317 PolarHBondContact O-N 2.89Å; L314-T317 VanDerWaalsContact O-N 3.15Å; L314-T317 PolarHBondContact O-OG1 3.39Å; M315-T317 PolarHBondContact O-N 3Å
318V90.1Very high91.2Very high36 Ų3656.4 Ų56.422%0.21830%0.299CS..THydrogen-bonded Turntrans-108.316.3177-62.80000112.3V285 M315 S316 L320V285-V318 HydrophobicContact CG2-CB 4.42Å; V285-V318 HydrophobicContact CG2-CG1 3.93Å; V285-V318 HydrophobicContact CG2-CG2 3.63Å; M315-V318 CarbonylContact O-C 3.59Å; M315-V318 WeakPolarHBondContact O-CG2 3.29Å; M315-V318 PolarHBondContact O-N 3.05Å; S316-V318 PolarHBondContact O-N 2.99Å; V318-L320 HydrophobicContact CG2-CB 4.3Å; V318-L320 HydrophobicContact CG2-CD1 3.72Å; V318-L320 HydrophobicContact CG2-CG 3.92Å
319G86.7Confident91.3Very high28 Ų2858 Ų5829%0.28931%0.31SS..THydrogen-bonded Turntrans76.823.6178.300000114.5M315 S316 Q324 Q328M315-G319 PolarHBondContact O-N 3.05Å; S316-G319 PolarHBondContact O-N 3.28Å; S316-G319 VanDerWaalsContact O-N 3.15Å; G319-Q324 VanDerWaalsContact O-CB 3.26Å; G319-Q324 WeakPolarHBondContact O-CB 3.34Å; G319-Q328 PolarHBondContact O-NE2 3.05Å
320L87.3Confident91.4Very high7 Ų752 Ų524%0.03730%0.298CS..  trans-111.426.9178.7-61.4176.1000112M278 I282 M315 V318M278-L320 HydrophobicContact CB-CD2 3.98Å; M278-L320 HydrophobicContact CE-CD2 4.4Å; M278-L320 HydrophobicContact CG-CD2 3.22Å; I282-L320 HydrophobicContact CB-CD1 4.46Å; I282-L320 HydrophobicContact CG1-CD1 3.47Å; I282-L320 VanDerWaalsContact CG1-CD1 3.47Å; M315-L320 HydrophobicContact CB-CB 3.73Å; M315-L320 HydrophobicContact CG-CB 4.25Å; M315-L320 HydrophobicContact CG-CD1 4.48Å; M315-L320 WeakPolarHBondContact O-CA 3.38Å; M315-L320 WeakPolarHBondContact O-CB 3.35Å; M315-L320 PolarHBondContact O-N 2.92Å; V318-L320 HydrophobicContact CG2-CB 4.3Å; V318-L320 HydrophobicContact CG2-CD1 3.72Å; V318-L320 HydrophobicContact CG2-CG 3.92Å
321G87.5Confident91.4Very high0 Ų047.5 Ų47.50%028%0.278CS..SBendtrans-77.7169.3177.700000112.7S316 E323 Q324 M325S316-G321 WeakPolarHBondContact OG-CA 3.34Å; G321-E323 PolarHBondContact O-N 2.74Å; G321-Q324 PolarHBondContact O-N 2.7Å; G321-Q324 VanDerWaalsContact O-N 3.15Å; G321-Q324 PolarHBondContact O-OE1 3.49Å; G321-M325 WeakPolarHBondContact O-CG 3.47Å; G321-M325 PolarHBondContact O-N 3.42Å; G321-M325 VanDerWaalsContact O-N 3.11Å
322P87.9Confident91.5Very high43 Ų4348 Ų4828%0.27928%0.28SS..THydrogen-bonded Turntrans-59.8-27.4-179.323.8-34000113.6F385 M389P322-F385 HydrophobicContact CB-CB 4.47Å; P322-F385 HydrophobicContact CB-CD1 4.46Å; P322-F385 HydrophobicContact CB-CD2 4.4Å; P322-F385 HydrophobicContact CB-CG 4.21Å; P322-M389 HydrophobicContact CG-SD 4.19Å
323E88.7Confident91.6Very high157 Ų15753 Ų5373%0.73430%0.303SS*.THydrogen-bonded Turntrans-70-44.4176.3-65.3-179.6175.700111.9G321 M325G321-E323 PolarHBondContact O-N 2.74Å; E323-M325 VanDerWaalsContact C-N 3.28Å; E323-M325 PolarHBondContact O-N 3.08Å
324Q90.3Very high91.5Very high65 Ų6555.7 Ų55.730%0.30430%0.303SS..Hα-helixtrans-72.9-23.6-179.7-65.673.931.400112.2G319 G321 I326 E327 Q328G319-Q324 VanDerWaalsContact O-CB 3.26Å; G319-Q324 WeakPolarHBondContact O-CB 3.34Å; G321-Q324 PolarHBondContact O-N 2.7Å; G321-Q324 VanDerWaalsContact O-N 3.15Å; G321-Q324 PolarHBondContact O-OE1 3.49Å; Q324-I326 PolarHBondContact O-N 2.95Å; Q324-E327 PolarHBondContact O-N 3.41Å; Q324-Q328 WeakPolarHBondContact O-CG 3.14Å; Q324-Q328 PolarHBondContact O-N 3.37Å
325M89.8Confident91.4Very high18 Ų1853.3 Ų53.39%0.08929%0.29CS..Hα-helixtrans-57.8-30.9178-81.9-66.4-6100113.5M278 G321 E323 S329 F378 L381 F385M278-M325 HydrophobicContact CE-SD 4.11Å; G321-M325 WeakPolarHBondContact O-CG 3.47Å; G321-M325 PolarHBondContact O-N 3.42Å; G321-M325 VanDerWaalsContact O-N 3.11Å; E323-M325 VanDerWaalsContact C-N 3.28Å; E323-M325 PolarHBondContact O-N 3.08Å; M325-S329 WeakPolarHBondContact O-CB 3.23Å; M325-S329 PolarHBondContact O-N 3.29Å; M325-F378 HydrophobicContact CE-CD1 3.44Å; M325-F378 VanDerWaalsContact CE-CD1 3.44Å; M325-F378 HydrophobicContact CE-CE1 3.71Å; M325-F378 HydrophobicContact SD-CD1 4.43Å; M325-F378 HydrophobicContact SD-CE1 4.15Å; M325-L381 HydrophobicContact CE-CB 3.42Å; M325-L381 VanDerWaalsContact CE-CB 3.42Å; M325-L381 HydrophobicContact CE-CD1 3.62Å; M325-L381 HydrophobicContact CE-CG 4.16Å; M325-L381 HydrophobicContact SD-CB 4.2Å; M325-L381 HydrophobicContact SD-CD1 3.47Å; M325-L381 WeakPolarHBondContact SD-CD1 3.47Å; M325-L381 HydrophobicContact SD-CG 4.41Å; M325-F385 HydrophobicContact CG-CD2 3.92Å; M325-F385 HydrophobicContact CG-CE2 3.76Å; M325-F385 HydrophobicContact SD-CE2 4.42Å
326I90.7Very high91.4Very high131 Ų13154 Ų5467%0.67230%0.295SS*.Hα-helixtrans-64.9-49.9177.9-61.3173.1000110Q324 S330Q324-I326 PolarHBondContact O-N 2.95Å; I326-S330 WeakPolarHBondContact O-CB 3.24Å; I326-S330 PolarHBondContact O-N 3.38Å
327E94Very high91.1Very high120 Ų12054.1 Ų54.156%0.56130%0.3SS*.Hα-helixtrans-63.2-46.3177.8-172.4-168157.100111.1T274 Q324 S329 S330 A331T274-E327 HydrophobicContact CG2-CG 4.45Å; Q324-E327 PolarHBondContact O-N 3.41Å; E327-S329 PolarHBondContact O-N 2.92Å; E327-S330 PolarHBondContact O-N 3.41Å; E327-A331 WeakPolarHBondContact O-CB 3.33Å; E327-A331 PolarHBondContact O-N 2.92Å
328Q95.1Very high90.8Very high12 Ų1250.4 Ų50.46%0.05628%0.278CS..Hα-helixtrans-63-42.7-179.8-70.1166.8-2.100112.2T274 M278 G319 Q324 A331 Y332 F378T274-Q328 HydrophobicContact CG2-CG 3.94Å; M278-Q328 HydrophobicContact SD-CB 4.44Å; G319-Q328 PolarHBondContact O-NE2 3.05Å; Q324-Q328 WeakPolarHBondContact O-CG 3.14Å; Q324-Q328 PolarHBondContact O-N 3.37Å; Q328-A331 PolarHBondContact O-N 3.36Å; Q328-Y332 PolarHBondContact O-N 2.84Å; Q328-F378 HydrophobicContact CB-CE1 4.03Å; Q328-F378 HydrophobicContact CB-CZ 4Å; Q328-F378 WeakPolarHBondContact O-CZ 3.41Å
329S94.2Very high90.2Very high33 Ų3348.9 Ų48.923%0.23127%0.269CS..Hα-helixtrans-64.3-42.4175.5-176.20000111M325 E327 Y332 Q333M325-S329 WeakPolarHBondContact O-CB 3.23Å; M325-S329 PolarHBondContact O-N 3.29Å; E327-S329 PolarHBondContact O-N 2.92Å; S329-Y332 PolarHBondContact O-N 3.48Å; S329-Q333 WeakPolarHBondContact O-CB 3.31Å; S329-Q333 VanDerWaalsContact O-CG 3.28Å; S329-Q333 WeakPolarHBondContact O-CG 3.43Å; S329-Q333 PolarHBondContact O-N 3.46Å
330S95.8Very high89.6Confident68 Ų6854.5 Ų54.548%0.47629%0.289SS..Hα-helixtrans-62.7-43.2175.7-174.20000112.3I326 E327 Y332 Q333 K334I326-S330 WeakPolarHBondContact O-CB 3.24Å; I326-S330 PolarHBondContact O-N 3.38Å; E327-S330 PolarHBondContact O-N 3.41Å; S330-Y332 VanDerWaalsContact C-N 3.33Å; S330-Y332 PolarHBondContact O-N 2.97Å; S330-Q333 PolarHBondContact O-N 3.32Å; S330-K334 WeakPolarHBondContact O-CB 3.46Å; S330-K334 PolarHBondContact O-N 2.84Å
331A96.3Very high89Confident10 Ų1057.5 Ų57.58%0.08331%0.305CS..Hα-helixtrans-58.7-45174.700000111.6A271 T274 L275 E327 Q328 K334 L335A271-A331 HydrophobicContact CB-CB 4.08Å; T274-A331 HydrophobicContact CG2-CB 4.02Å; L275-A331 HydrophobicContact CG-CB 4.44Å; E327-A331 WeakPolarHBondContact O-CB 3.33Å; E327-A331 PolarHBondContact O-N 2.92Å; Q328-A331 PolarHBondContact O-N 3.36Å; A331-K334 PolarHBondContact O-N 3.25Å; A331-L335 WeakPolarHBondContact O-CB 3.2Å; A331-L335 PolarHBondContact O-N 3.39Å
332Y95.7Very high87.9Confident12 Ų1260.7 Ų60.75%0.04732%0.322CS..Hα-helixtrans-65.7-41.7176.3175.5-109.8000113.3L275 Q328 S329 S330 K334 L335 S336 L371 F374 N375 F378L275-Y332 HydrophobicContact CD1-CD2 4.34Å; Q328-Y332 PolarHBondContact O-N 2.84Å; S329-Y332 PolarHBondContact O-N 3.48Å; S330-Y332 VanDerWaalsContact C-N 3.33Å; S330-Y332 PolarHBondContact O-N 2.97Å; Y332-K334 VanDerWaalsContact C-N 3.34Å; Y332-K334 PolarHBondContact O-N 3.2Å; Y332-L335 PolarHBondContact O-N 3.38Å; Y332-S336 WeakPolarHBondContact O-CB 3.47Å; Y332-S336 PolarHBondContact O-N 3.14Å; Y332-S336 PolarHBondContact O-OG 3.05Å; Y332-L371 HydrophobicContact CE2-CD2 4.09Å; Y332-L371 PolarHBondContact OH-O 3Å; Y332-F374 HydrophobicContact CD1-CB 4.45Å; Y332-F374 HydrophobicContact CD2-CB 3.48Å; Y332-F374 VanDerWaalsContact CD2-CB 3.48Å; Y332-F374 HydrophobicContact CD2-CD2 4.32Å; Y332-F374 AromaticContact CD2-CG 3.9Å; Y332-F374 HydrophobicContact CD2-CG 3.9Å; Y332-F374 HydrophobicContact CE1-CB 4.31Å; Y332-F374 HydrophobicContact CE2-CB 3.32Å; Y332-F374 HydrophobicContact CE2-CD2 4.38Å; Y332-F374 HydrophobicContact CE2-CG 4.09Å; Y332-F374 HydrophobicContact CG-CB 4.07Å; Y332-N375 WeakPolarHBondContact CE1-OD1 3.34Å; Y332-N375 PolarHBondContact OH-ND2 3.45Å; Y332-N375 VanDerWaalsContact OH-ND2 3.08Å; Y332-N375 PolarHBondContact OH-OD1 2.94Å; Y332-F378 VanDerWaalsContact CB-CE2 3.43Å; Y332-F378 AromaticContact CD1-CD2 3.66Å; Y332-F378 HydrophobicContact CD1-CD2 3.66Å; Y332-F378 AromaticContact CD1-CE2 3.87Å; Y332-F378 HydrophobicContact CD1-CE2 3.87Å; Y332-F378 HydrophobicContact CD2-CE2 4.42Å; Y332-F378 HydrophobicContact CE1-CD2 4.34Å; Y332-F378 AromaticContact CG-CD2 3.92Å; Y332-F378 HydrophobicContact CG-CD2 3.92Å; Y332-F378 AromaticContact CG-CE2 3.64Å; Y332-F378 HydrophobicContact CG-CE2 3.64Å
333Q93.6Very high86.8Confident117 Ų11766.2 Ų66.255%0.54735%0.345SS..Hα-helixtrans-61-43.1174.8-73.6173.80.100111.5S329 S330 S336 A337S329-Q333 WeakPolarHBondContact O-CB 3.31Å; S329-Q333 VanDerWaalsContact O-CG 3.28Å; S329-Q333 WeakPolarHBondContact O-CG 3.43Å; S329-Q333 PolarHBondContact O-N 3.46Å; S330-Q333 PolarHBondContact O-N 3.32Å; Q333-S336 WeakPolarHBondContact CA-OG 3.09Å; Q333-S336 PolarHBondContact O-N 2.85Å; Q333-S336 PolarHBondContact O-OG 3.26Å; Q333-A337 VanDerWaalsContact O-CB 3.22Å; Q333-A337 WeakPolarHBondContact O-CB 3.49Å; Q333-A337 PolarHBondContact O-N 3.27Å
334K92.2Very high85.7Confident96 Ų9663.6 Ų63.642%0.41734%0.335SS..Hα-helixtrans-61.6-47.4176-168.5-172.4-174.2-1560111.7E268 S330 A331 Y332 S338E268-K334 WeakPolarHBondContact OE1-CE 3.18Å; E268-K334 IonicContact OE1-NZ 2.82Å; E268-K334 WeakPolarHBondContact OE2-CD 3.43Å; E268-K334 WeakPolarHBondContact OE2-CE 3.35Å; E268-K334 IonicContact OE2-NZ 3.4Å; E268-K334 PolarHBondContact OE2-NZ 2.7Å; S330-K334 WeakPolarHBondContact O-CB 3.46Å; S330-K334 PolarHBondContact O-N 2.84Å; A331-K334 PolarHBondContact O-N 3.25Å; Y332-K334 VanDerWaalsContact C-N 3.34Å; Y332-K334 PolarHBondContact O-N 3.2Å; K334-S338 WeakPolarHBondContact O-CB 3.17Å; K334-S338 PolarHBondContact O-N 3.35Å; K334-S338 PolarHBondContact O-OG 3.28Å
335L90.9Very high84.6Confident1 Ų160.6 Ų60.61%0.00532%0.321CS..Hα-helixtrans-60.4-51.9178.2-177.768.5000110.8L259 L262 F267 E268 A271 L275 A331 Y332 A337 S338 I339L259-L335 HydrophobicContact CD2-CD2 3.62Å; L262-L335 HydrophobicContact CD1-CD1 4.31Å; F267-L335 HydrophobicContact CD1-CD1 3.95Å; F267-L335 HydrophobicContact CE1-CD1 3.7Å; E268-L335 HydrophobicContact CB-CD1 4.07Å; A271-L335 HydrophobicContact CB-CB 4.46Å; L275-L335 HydrophobicContact CD1-CD2 3.77Å; A331-L335 WeakPolarHBondContact O-CB 3.2Å; A331-L335 PolarHBondContact O-N 3.39Å; Y332-L335 PolarHBondContact O-N 3.38Å; L335-A337 PolarHBondContact O-N 2.96Å; L335-S338 PolarHBondContact O-N 2.96Å; L335-I339 HydrophobicContact CD1-CD1 4.38Å; L335-I339 HydrophobicContact CG-CD1 4.04Å; L335-I339 WeakPolarHBondContact O-CD1 3.19Å; L335-I339 VanDerWaalsContact O-CG1 3.29Å; L335-I339 WeakPolarHBondContact O-CG1 3.28Å; L335-I339 PolarHBondContact O-N 2.88Å
336S89.1Confident83.5Confident19 Ų1963 Ų6313%0.13333%0.332CS..Hα-helixtrans-63.2-40-178.858.60000113.1Y332 Q333 I339 M340Y332-S336 WeakPolarHBondContact O-CB 3.47Å; Y332-S336 PolarHBondContact O-N 3.14Å; Y332-S336 PolarHBondContact O-OG 3.05Å; Q333-S336 WeakPolarHBondContact CA-OG 3.09Å; Q333-S336 PolarHBondContact O-N 2.85Å; Q333-S336 PolarHBondContact O-OG 3.26Å; S336-I339 PolarHBondContact O-N 3.01Å; S336-M340 WeakPolarHBondContact O-CG 3.49Å; S336-M340 PolarHBondContact O-N 3.03Å; S336-M340 VanDerWaalsContact O-N 3.16Å
337A87.2Confident82.4Confident54 Ų5460.3 Ų60.345%0.44632%0.319SS..Hα-helixtrans-63.7-44.1175.300000112.1Q333 L335 I339 M340 D341Q333-A337 VanDerWaalsContact O-CB 3.22Å; Q333-A337 WeakPolarHBondContact O-CB 3.49Å; Q333-A337 PolarHBondContact O-N 3.27Å; L335-A337 PolarHBondContact O-N 2.96Å; A337-I339 PolarHBondContact O-N 3.38Å; A337-M340 PolarHBondContact O-N 3.09Å; A337-M340 VanDerWaalsContact O-N 3.1Å; A337-D341 PolarHBondContact O-N 3.34Å
338S83.1Confident81.4Confident31 Ų3158.1 Ų58.122%0.21731%0.306CS..Hα-helixtrans-63.3-25.7179.8-55.90000113K334 L335K334-S338 WeakPolarHBondContact O-CB 3.17Å; K334-S338 PolarHBondContact O-N 3.35Å; K334-S338 PolarHBondContact O-OG 3.28Å; L335-S338 PolarHBondContact O-N 2.96Å
339I77.6Confident80.1Confident4 Ų459.8 Ų59.82%0.02131%0.312CS..Hα-helixtrans-82-35.8175.8-63.5152.8000111.3F267 L335 S336 A337 D341 N342 K365 P366 L371F267-I339 HydrophobicContact CE1-CD1 4.39Å; F267-I339 HydrophobicContact CE1-CG1 3.77Å; F267-I339 HydrophobicContact CZ-CG1 3.99Å; L335-I339 HydrophobicContact CD1-CD1 4.38Å; L335-I339 HydrophobicContact CG-CD1 4.04Å; L335-I339 WeakPolarHBondContact O-CD1 3.19Å; L335-I339 VanDerWaalsContact O-CG1 3.29Å; L335-I339 WeakPolarHBondContact O-CG1 3.28Å; L335-I339 PolarHBondContact O-N 2.88Å; S336-I339 PolarHBondContact O-N 3.01Å; A337-I339 PolarHBondContact O-N 3.38Å; I339-D341 PolarHBondContact O-N 3.36Å; I339-N342 PolarHBondContact O-OD1 2.7Å; I339-K365 HydrophobicContact CG2-CD 4.5Å; I339-P366 VanDerWaalsContact CD1-CD 3.41Å; I339-P366 HydrophobicContact CD1-CG 3.13Å; I339-P366 HydrophobicContact CG1-CG 4.16Å; I339-L371 HydrophobicContact CD1-CD2 4.11Å
340M74.4Confident78.9Confident147 Ų14764.9 Ų64.972%0.72433%0.326SS*.Hα-helixtrans-68.7-27.4176.9-74.2-169-94.300111.9S336 A337 N342S336-M340 WeakPolarHBondContact O-CG 3.49Å; S336-M340 PolarHBondContact O-N 3.03Å; S336-M340 VanDerWaalsContact O-N 3.16Å; A337-M340 PolarHBondContact O-N 3.09Å; A337-M340 VanDerWaalsContact O-N 3.1Å; M340-N342 PolarHBondContact O-N 3.29Å
341D75.5Confident77.7Confident69 Ų6966.5 Ų66.537%0.36933%0.329SS..  trans-77.867.7171.1-166-4.8000111.7A337 I339 E343 N344 Y345A337-D341 PolarHBondContact O-N 3.34Å; I339-D341 PolarHBondContact O-N 3.36Å; D341-E343 PolarHBondContact O-N 3.2Å; D341-N344 PolarHBondContact O-N 2.73Å; D341-N344 PolarHBondContact OD2-ND2 3.16Å; D341-Y345 WeakPolarHBondContact O-CB 3.3Å; D341-Y345 PolarHBondContact O-N 2.62Å
342N64.4Low76.4Confident67 Ų6772.2 Ų72.236%0.35835%0.349SS..Hα-helixtrans-55.1-36.4-174.8-89.2-34.5000113.3I339 M340 Y345 E346 K365I339-N342 PolarHBondContact O-OD1 2.7Å; M340-N342 PolarHBondContact O-N 3.29Å; N342-Y345 PolarHBondContact O-N 2.93Å; N342-E346 WeakPolarHBondContact O-CG 3.4Å; N342-E346 PolarHBondContact O-N 3.19Å; N342-K365 PolarHBondContact OD1-NZ 3.26Å
343E63.4Low75Confident160 Ų16074.3 Ų74.375%0.74836%0.361SS*.Hα-helixtrans-65.6-50.5-177.5-69.1-174.6169.400111D341 Y345 E346 D347D341-E343 PolarHBondContact O-N 3.2Å; E343-Y345 VanDerWaalsContact C-N 3.34Å; E343-Y345 PolarHBondContact O-N 2.95Å; E343-E346 PolarHBondContact O-N 3.45Å; E343-D347 PolarHBondContact O-N 3.44Å
344N66Low73.3Confident101 Ų10178 Ų7854%0.5437%0.37SS..Hα-helixtrans-67.7-35.1177.7-78-32.7000112.3D341 W348D341-N344 PolarHBondContact O-N 2.73Å; D341-N344 PolarHBondContact OD2-ND2 3.16Å; N344-W348 VanDerWaalsContact O-CB 3.24Å; N344-W348 WeakPolarHBondContact O-CB 3.47Å; N344-W348 PolarHBondContact O-N 2.93Å
345Y67.5Low71.5Confident3 Ų380.8 Ų80.81%0.01239%0.39CS..Hα-helixtrans-62.5-46.1176.9175.7-88.8000112.3F267 D341 N342 E343 W348 Y349 Q363 P364 K365F267-Y345 HydrophobicContact CD1-CE2 4.48Å; F267-Y345 AromaticContact CD2-CD2 3.98Å; F267-Y345 HydrophobicContact CD2-CD2 3.98Å; F267-Y345 AromaticContact CD2-CE2 3.82Å; F267-Y345 HydrophobicContact CD2-CE2 3.82Å; F267-Y345 HydrophobicContact CE1-CD2 4.46Å; F267-Y345 HydrophobicContact CE1-CE2 4.29Å; F267-Y345 AromaticContact CE2-CD2 3.36Å; F267-Y345 HydrophobicContact CE2-CD2 3.36Å; F267-Y345 AromaticContact CE2-CE2 3.64Å; F267-Y345 HydrophobicContact CE2-CE2 3.64Å; F267-Y345 HydrophobicContact CG-CE2 4.25Å; F267-Y345 AromaticContact CZ-CD2 3.62Å; F267-Y345 HydrophobicContact CZ-CD2 3.62Å; F267-Y345 AromaticContact CZ-CE2 3.87Å; F267-Y345 HydrophobicContact CZ-CE2 3.87Å; D341-Y345 WeakPolarHBondContact O-CB 3.3Å; D341-Y345 PolarHBondContact O-N 2.62Å; N342-Y345 PolarHBondContact O-N 2.93Å; E343-Y345 VanDerWaalsContact C-N 3.34Å; E343-Y345 PolarHBondContact O-N 2.95Å; Y345-W348 HydrophobicContact CE2-CE3 4.36Å; Y345-W348 HydrophobicContact CE2-CZ3 4.33Å; Y345-W348 PolarHBondContact O-N 3.47Å; Y345-Y349 PolarHBondContact O-N 2.87Å; Y345-Q363 HydrophobicContact CE1-CB 4.19Å; Y345-Q363 HydrophobicContact CE1-CG 4.47Å; Y345-P364 WeakPolarHBondContact OH-CD 3.48Å; Y345-P364 PolarHBondContact OH-O 2.99Å; Y345-K365 HydrophobicContact CD1-CG 4.46Å; Y345-K365 HydrophobicContact CE1-CD 4.13Å; Y345-K365 HydrophobicContact CE1-CG 3.72Å; Y345-K365 HydrophobicContact CE2-CG 4.22Å
346E67.3Low69.6Low67 Ų6786.4 Ų86.431%0.31342%0.42SS..Hα-helixtrans-64.9-42.7179.5-74.5-151.2158.800112.3N342 E343 Y349 R350 Q363N342-E346 WeakPolarHBondContact O-CG 3.4Å; N342-E346 PolarHBondContact O-N 3.19Å; E343-E346 PolarHBondContact O-N 3.45Å; E346-Y349 PolarHBondContact O-N 3.22Å; E346-R350 WeakPolarHBondContact O-CB 3.49Å; E346-R350 WeakPolarHBondContact O-CG 3.41Å; E346-R350 PolarHBondContact O-N 3.2Å; E346-R350 IonicContact OE2-CZ 3.41Å; E346-R350 IonicContact OE2-NH2 2.63Å; E346-R350 PolarHBondContact OE2-NH2 3.25Å; E346-Q363 PolarHBondContact OE1-NE2 3.43Å
347D67.7Low67.6Low75 Ų7591.1 Ų91.140%0.40145%0.452SS..Hα-helixtrans-67.1-38.8178.4-80.4-9.7000111.6E343 R350 N351E343-D347 PolarHBondContact O-N 3.44Å; D347-R350 IonicContact OD1-CZ 2.76Å; D347-R350 IonicContact OD1-NH1 3.55Å; D347-R350 PolarHBondContact OD1-NH1 3.29Å; D347-R350 IonicContact OD1-NH2 2.72Å; D347-N351 VanDerWaalsContact O-CB 3.28Å; D347-N351 WeakPolarHBondContact O-CB 3.32Å; D347-N351 VanDerWaalsContact O-CG 3.28Å; D347-N351 PolarHBondContact O-N 3.09Å; D347-N351 PolarHBondContact O-ND2 3.41Å; D347-N351 VanDerWaalsContact O-ND2 3.15Å
348W73.6Confident65.6Low74 Ų7493.4 Ų93.428%0.2847%0.465SS..Hα-helixtrans-57.3-49.2171.1171.489.1000111.4V265 G266 F267 N344 Y345 N351 R352V265-W348 HydrophobicContact CG2-CH2 4.23Å; V265-W348 VanDerWaalsContact O-CH2 3.26Å; V265-W348 WeakPolarHBondContact O-CH2 3.38Å; V265-W348 WeakPolarHBondContact O-CZ2 3.26Å; G266-W348 WeakPolarHBondContact O-CZ2 3.39Å; F267-W348 HydrophobicContact CB-CH2 3.51Å; F267-W348 HydrophobicContact CB-CZ2 3.96Å; F267-W348 HydrophobicContact CB-CZ3 4.01Å; F267-W348 HydrophobicContact CD2-CD2 4.22Å; F267-W348 AromaticContact CD2-CE3 3.92Å; F267-W348 HydrophobicContact CD2-CE3 3.92Å; F267-W348 AromaticContact CD2-CH2 3.96Å; F267-W348 HydrophobicContact CD2-CH2 3.96Å; F267-W348 HydrophobicContact CD2-CZ2 4.19Å; F267-W348 AromaticContact CD2-CZ3 3.8Å; F267-W348 HydrophobicContact CD2-CZ3 3.8Å; F267-W348 HydrophobicContact CG-CH2 4.2Å; F267-W348 HydrophobicContact CG-CZ3 4.28Å; N344-W348 VanDerWaalsContact O-CB 3.24Å; N344-W348 WeakPolarHBondContact O-CB 3.47Å; N344-W348 PolarHBondContact O-N 2.93Å; Y345-W348 HydrophobicContact CE2-CE3 4.36Å; Y345-W348 HydrophobicContact CE2-CZ3 4.33Å; Y345-W348 PolarHBondContact O-N 3.47Å; W348-N351 PolarHBondContact O-N 3.05Å; W348-R352 WeakPolarHBondContact O-CB 3.28Å; W348-R352 PolarHBondContact O-N 3.48Å; W348-R352 VanDerWaalsContact O-N 3.12Å
349Y66.4Low63.7Low47 Ų4798.7 Ų98.718%0.18449%0.491CS..Hα-helixtrans-66.2-44.3-178.8-176-96.4000111.9Y345 E346 N351 R352 N353 F362 Q363 P364Y345-Y349 PolarHBondContact O-N 2.87Å; E346-Y349 PolarHBondContact O-N 3.22Å; Y349-N351 PolarHBondContact O-N 3.49Å; Y349-R352 PolarHBondContact O-N 3.16Å; Y349-N353 WeakPolarHBondContact CE2-ND2 3.49Å; Y349-N353 PolarHBondContact O-N 2.93Å; Y349-N353 PolarHBondContact OH-ND2 3.23Å; Y349-N353 VanDerWaalsContact OH-ND2 3.13Å; Y349-F362 VanDerWaalsContact CZ-O 3.3Å; Y349-F362 PolarHBondContact OH-O 2.76Å; Y349-Q363 HydrophobicContact CD1-CG 4.29Å; Y349-Q363 HydrophobicContact CE1-CG 4.41Å; Y349-P364 HydrophobicContact CD2-CG 4.04Å; Y349-P364 HydrophobicContact CE2-CG 3.67Å
350R69.9Low62.2Low141 Ų141106.8 Ų106.853%0.53253%0.534SS..Hα-helixtrans-61.9-42.8177.3-76.7-171.4-128.4137.10.8112E346 D347 R352 N353 R354E346-R350 WeakPolarHBondContact O-CB 3.49Å; E346-R350 WeakPolarHBondContact O-CG 3.41Å; E346-R350 PolarHBondContact O-N 3.2Å; E346-R350 IonicContact OE2-CZ 3.41Å; E346-R350 IonicContact OE2-NH2 2.63Å; E346-R350 PolarHBondContact OE2-NH2 3.25Å; D347-R350 IonicContact OD1-CZ 2.76Å; D347-R350 IonicContact OD1-NH1 3.55Å; D347-R350 PolarHBondContact OD1-NH1 3.29Å; D347-R350 IonicContact OD1-NH2 2.72Å; R350-R352 VanDerWaalsContact C-N 3.31Å; R350-R352 PolarHBondContact O-N 3.17Å; R350-N353 PolarHBondContact O-N 3.15Å; R350-R354 PolarHBondContact O-N 3.07Å
351N70.5Confident61.2Low101 Ų101108.6 Ų108.654%0.5454%0.541SS..Hα-helixtrans-65.6-35.9179.4-78.7-32.1000112.2D347 W348 Y349D347-N351 VanDerWaalsContact O-CB 3.28Å; D347-N351 WeakPolarHBondContact O-CB 3.32Å; D347-N351 VanDerWaalsContact O-CG 3.28Å; D347-N351 PolarHBondContact O-N 3.09Å; D347-N351 PolarHBondContact O-ND2 3.41Å; D347-N351 VanDerWaalsContact O-ND2 3.15Å; W348-N351 PolarHBondContact O-N 3.05Å; Y349-N351 PolarHBondContact O-N 3.49Å
352R68.3Low60Low130 Ų130112.9 Ų112.949%0.49156%0.557SS.*Hα-helixtrans-75.3-31.2179.1-165.9172.5179.6148.8-5.8113.5V265 G266 W348 Y349 R350V265-R352 VanDerWaalsContact C-CZ 3.41Å; V265-R352 PolarHBondContact O-NE 3.31Å; V265-R352 VanDerWaalsContact O-NE 3.11Å; V265-R352 PolarHBondContact O-NH1 3.13Å; V265-R352 PolarHBondContact O-NH2 3.31Å; G266-R352 VanDerWaalsContact CA-NH1 3.26Å; G266-R352 PolarHBondContact O-NH1 3.35Å; G266-R352 VanDerWaalsContact O-NH1 3.11Å; W348-R352 WeakPolarHBondContact O-CB 3.28Å; W348-R352 PolarHBondContact O-N 3.48Å; W348-R352 VanDerWaalsContact O-N 3.12Å; Y349-R352 PolarHBondContact O-N 3.16Å; R350-R352 VanDerWaalsContact C-N 3.31Å; R350-R352 PolarHBondContact O-N 3.17Å
353N66.5Low59.9Low56 Ų56113.2 Ų113.230%0.29956%0.556SS.*THydrogen-bonded Turntrans-103.824.4-178.7-79-30.4000114.3Y349 R350 D355 N356Y349-N353 WeakPolarHBondContact CE2-ND2 3.49Å; Y349-N353 PolarHBondContact O-N 2.93Å; Y349-N353 PolarHBondContact OH-ND2 3.23Å; Y349-N353 VanDerWaalsContact OH-ND2 3.13Å; R350-N353 PolarHBondContact O-N 3.15Å; N353-D355 PolarHBondContact O-N 3.45Å; N353-N356 PolarHBondContact O-N 3.16Å
354R57.5Low60Low194 Ų194106.2 Ų106.273%0.73253%0.525SS*.THydrogen-bonded Turntrans-51.9-26.7177.4-97.3-176.2175.9-170.5-0.4114.1R350R350-R354 PolarHBondContact O-N 3.07Å
355D54.4Low60.4Low156 Ų156102.7 Ų102.783%0.83450%0.504SS*.THydrogen-bonded Turntrans-88.9-6-178.3-63.7-25.1000114.6N353N353-D355 PolarHBondContact O-N 3.45Å
356N51.6Low60.8Low119 Ų119102.5 Ų102.564%0.63650%0.504SS*.  trans-110.575.1179.3-90-24.8000111.5N353 S358N353-N356 PolarHBondContact O-N 3.16Å; N356-S358 PolarHBondContact O-N 3.39Å
357S46Very low61.6Low117 Ų117102 Ų10282%0.81851%0.505SS*.THydrogen-bonded Turntrans-728.9-175.1-28.80000115.5
358S47.1Very low62.3Low102 Ų10299.9 Ų99.971%0.71349%0.493SS*.THydrogen-bonded Turntrans-128.72.6-166.164.90000117.8N356N356-S358 PolarHBondContact O-N 3.39Å
359N41.4Very low63Low142 Ų142101.6 Ų101.676%0.75950%0.499SS*.  trans-130.588.2176.3-95.3-10.9000113Q361N359-Q361 PolarHBondContact O-N 2.63Å
360N46.4Very low64.2Low175 Ų17599.5 Ų99.594%0.93649%0.492SS*.THydrogen-bonded Turntrans-78.829.2-177.4-136.219.1000114
361Q53.8Low65.1Low184 Ų18493.8 Ų93.886%0.8647%0.471SS*.THydrogen-bonded Turntrans-134.4-8.6-166-93-179-0.600118.2N359N359-Q361 PolarHBondContact O-N 2.63Å
362F51.4Low66.1Low160 Ų16093 Ų9370%0.70246%0.464SS*.  trans-131.187.5-175.4-156.7-98.3000113.5Y349 P364Y349-F362 VanDerWaalsContact CZ-O 3.3Å; Y349-F362 PolarHBondContact OH-O 2.76Å; F362-P364 HydrophobicContact CE1-CB 4.49Å; F362-P364 WeakPolarHBondContact O-CD 3.32Å
363Q62Low67.3Low73 Ų7386.9 Ų86.934%0.34144%0.441SS..  trans-81.8115.1164.9-73.5-178.6500109Y345 E346 Y349 K365Y345-Q363 HydrophobicContact CE1-CB 4.19Å; Y345-Q363 HydrophobicContact CE1-CG 4.47Å; E346-Q363 PolarHBondContact OE1-NE2 3.43Å; Y349-Q363 HydrophobicContact CD1-CG 4.29Å; Y349-Q363 HydrophobicContact CE1-CG 4.41Å; Q363-K365 PolarHBondContact O-N 3.21Å
364P65.4Low68.7Low14 Ų1484.3 Ų84.39%0.09143%0.427CS..  trans-7590179.831.1-32.8000109.4L262 V265 Y345 Y349 F362L262-P364 HydrophobicContact CD2-CB 4.2Å; L262-P364 WeakPolarHBondContact CD2-O 3.36Å; V265-P364 HydrophobicContact CB-CG 4.23Å; V265-P364 HydrophobicContact CG1-CB 4.5Å; V265-P364 HydrophobicContact CG1-CG 4.12Å; V265-P364 HydrophobicContact CG2-CB 4.08Å; V265-P364 HydrophobicContact CG2-CG 3.66Å; Y345-P364 WeakPolarHBondContact OH-CD 3.48Å; Y345-P364 PolarHBondContact OH-O 2.99Å; Y349-P364 HydrophobicContact CD2-CG 4.04Å; Y349-P364 HydrophobicContact CE2-CG 3.67Å; F362-P364 HydrophobicContact CE1-CB 4.49Å; F362-P364 WeakPolarHBondContact O-CD 3.32Å
365K73.4Confident70.4Confident26 Ų2678.3 Ų78.311%0.11341%0.41CS..  trans-106.3144.8167.6-65.8-176.8-176.1179.80107.9L144 I339 N342 Y345 Q363 T367L144-K365 HydrophobicContact CD2-CD 4.44Å; L144-K365 PolarHBondContact O-NZ 3.15Å; I339-K365 HydrophobicContact CG2-CD 4.5Å; N342-K365 PolarHBondContact OD1-NZ 3.26Å; Y345-K365 HydrophobicContact CD1-CG 4.46Å; Y345-K365 HydrophobicContact CE1-CD 4.13Å; Y345-K365 HydrophobicContact CE1-CG 3.72Å; Y345-K365 HydrophobicContact CE2-CG 4.22Å; Q363-K365 PolarHBondContact O-N 3.21Å; K365-T367 PolarHBondContact O-N 3.24Å
366P77.3Confident72.3Confident0 Ų071.2 Ų71.20%037%0.373CS..  trans-61.5140.517221.2-22.4000109.2D258 L262 I339 T370 L371D258-P366 WeakPolarHBondContact OD1-CA 3.37Å; D258-P366 VanDerWaalsContact OD2-CA 3.25Å; D258-P366 WeakPolarHBondContact OD2-CA 3.33Å; D258-P366 WeakPolarHBondContact OD2-CB 3.42Å; L262-P366 HydrophobicContact CD1-CB 3.72Å; L262-P366 HydrophobicContact CD1-CG 3.64Å; I339-P366 VanDerWaalsContact CD1-CD 3.41Å; I339-P366 HydrophobicContact CD1-CG 3.13Å; I339-P366 HydrophobicContact CG1-CG 4.16Å; P366-T370 HydrophobicContact CB-CG2 4.36Å; P366-L371 HydrophobicContact CG-CD2 4.1Å; P366-L371 HydrophobicContact CG-CG 4.41Å
367T83.5Confident74.4Confident57 Ų5765.6 Ų65.635%0.3534%0.343SS..  trans-59.7147.7176.366.60000110.3D258 K365 R369 T370 L371D258-T367 PolarHBondContact OD1-N 3.06Å; D258-T367 PolarHBondContact OD2-N 2.89Å; D258-T367 PolarHBondContact OD2-OG1 3.41Å; K365-T367 PolarHBondContact O-N 3.24Å; T367-R369 PolarHBondContact O-N 3.3Å; T367-R369 VanDerWaalsContact O-N 3.08Å; T367-T370 WeakPolarHBondContact O-CB 3.46Å; T367-T370 PolarHBondContact O-N 3.03Å; T367-T370 PolarHBondContact OG1-N 2.94Å; T367-T370 PolarHBondContact OG1-OG1 3.45Å; T367-T370 VanDerWaalsContact OG1-OG1 3.05Å; T367-L371 PolarHBondContact O-N 3.49Å; T367-L371 VanDerWaalsContact O-N 3.16Å
368H82.9Confident76.7Confident29 Ų2960.9 Ų60.913%0.13431%0.308CS..Hα-helixtrans-52.5-33.2172.5175.7-100.7000112.2D137 H140 T370 L371 H372D137-H368 IonicContact OD1-CE1 3.59Å; D137-H368 IonicContact OD1-CG 3.95Å; D137-H368 IonicContact OD1-ND1 3.85Å; D137-H368 PolarHBondContact OD1-ND1 3.41Å; H140-H368 HydrophobicContact CB-CB 3.84Å; H140-H368 AromaticContact CD2-CD2 3.47Å; H140-H368 PolarHBondContact CD2-CD2 3.21Å; H140-H368 VanDerWaalsContact CD2-CD2 3.47Å; H140-H368 AromaticContact CD2-CG 3.86Å; H140-H368 AromaticContact CE1-CD2 3.63Å; H140-H368 AromaticContact CG-CD2 3.22Å; H140-H368 AromaticContact CG-CG 3.64Å; H140-H368 AromaticContact ND1-CD2 3.34Å; H140-H368 PolarHBondContact ND1-CD2 3.38Å; H140-H368 VanDerWaalsContact ND1-CD2 3.34Å; H140-H368 AromaticContact ND1-NE2 3.83Å; H140-H368 AromaticContact NE2-CD2 3.7Å; H368-T370 VanDerWaalsContact C-N 3.35Å; H368-T370 PolarHBondContact O-N 3.33Å; H368-L371 PolarHBondContact O-N 3.03Å; H368-H372 VanDerWaalsContact O-CB 3.29Å; H368-H372 WeakPolarHBondContact O-CB 3.47Å; H368-H372 PolarHBondContact O-N 2.97Å
369R87.1Confident78.9Confident110 Ų11057.6 Ų57.642%0.41528%0.283SS..Hα-helixtrans-61.5-41.8176.8-172.3177.6-65.5177.51.4112.1D137 T367 F373D137-R369 IonicContact OD2-CZ 3.13Å; D137-R369 IonicContact OD2-NE 3.76Å; D137-R369 IonicContact OD2-NH2 3.67Å; D137-R369 PolarHBondContact OD2-NH2 3.4Å; T367-R369 PolarHBondContact O-N 3.3Å; T367-R369 VanDerWaalsContact O-N 3.08Å; R369-F373 VanDerWaalsContact O-CB 3.3Å; R369-F373 WeakPolarHBondContact O-CB 3.43Å; R369-F373 PolarHBondContact O-N 3.27Å
370T91.9Very high81.4Confident4 Ų451 Ų513%0.02525%0.248CC..Hα-helixtrans-66.5-46175.9-60.20000111.2A255 D258 L259 P366 T367 H368 H372 F373 F374A255-T370 HydrophobicContact CB-CG2 4.05Å; D258-T370 HydrophobicContact CB-CG2 4.49Å; D258-T370 WeakPolarHBondContact OD2-CB 3.42Å; D258-T370 PolarHBondContact OD2-OG1 3.49Å; L259-T370 HydrophobicContact CG-CG2 4.49Å; P366-T370 HydrophobicContact CB-CG2 4.36Å; T367-T370 WeakPolarHBondContact O-CB 3.46Å; T367-T370 PolarHBondContact O-N 3.03Å; T367-T370 PolarHBondContact OG1-N 2.94Å; T367-T370 PolarHBondContact OG1-OG1 3.45Å; T367-T370 VanDerWaalsContact OG1-OG1 3.05Å; H368-T370 VanDerWaalsContact C-N 3.35Å; H368-T370 PolarHBondContact O-N 3.33Å; T370-H372 PolarHBondContact O-N 3.48Å; T370-F373 WeakPolarHBondContact O-CB 3.39Å; T370-F373 PolarHBondContact O-N 2.97Å; T370-F374 HydrophobicContact CG2-CD2 3.91Å; T370-F374 HydrophobicContact CG2-CE2 3.78Å; T370-F374 VanDerWaalsContact O-CD2 3.29Å; T370-F374 WeakPolarHBondContact O-CD2 3.28Å; T370-F374 PolarHBondContact O-N 3.45Å
371L90Very high83.7Confident21 Ų2143 Ų4311%0.1121%0.205CC..Hα-helixtrans-61.4-45.2176.7-64.6177.8000111.9Y332 I339 P366 T367 H368 F373 F374 N375Y332-L371 HydrophobicContact CE2-CD2 4.09Å; Y332-L371 PolarHBondContact OH-O 3Å; I339-L371 HydrophobicContact CD1-CD2 4.11Å; P366-L371 HydrophobicContact CG-CD2 4.1Å; P366-L371 HydrophobicContact CG-CG 4.41Å; T367-L371 PolarHBondContact O-N 3.49Å; T367-L371 VanDerWaalsContact O-N 3.16Å; H368-L371 PolarHBondContact O-N 3.03Å; L371-F373 PolarHBondContact O-N 3.47Å; L371-F374 PolarHBondContact O-N 3.44Å; L371-N375 WeakPolarHBondContact O-CB 3.46Å; L371-N375 PolarHBondContact O-N 3.43Å; L371-N375 PolarHBondContact O-ND2 3.44Å
372H89.8Confident85.5Confident83 Ų8338.8 Ų38.838%0.38419%0.189SC..Hα-helixtrans-62.8-42.1176.3178.566.2000112H368 T370 F374 N375 A376H368-H372 VanDerWaalsContact O-CB 3.29Å; H368-H372 WeakPolarHBondContact O-CB 3.47Å; H368-H372 PolarHBondContact O-N 2.97Å; T370-H372 PolarHBondContact O-N 3.48Å; H372-F374 PolarHBondContact O-N 2.72Å; H372-N375 PolarHBondContact O-N 3.46Å; H372-A376 WeakPolarHBondContact O-CB 3.31Å; H372-A376 PolarHBondContact O-N 2.73Å
373F94.6Very high87.5Confident3 Ų331.5 Ų31.51%0.01316%0.157CC..Hα-helixtrans-55.9-51175.5163.9-103.2000111.6F245 I247 Q251 L252 A255 V279 R369 T370 L371 A376 L377F245-F373 HydrophobicContact CE1-CD2 4.22Å; F245-F373 HydrophobicContact CE1-CE2 4.28Å; F245-F373 HydrophobicContact CZ-CD2 4Å; F245-F373 HydrophobicContact CZ-CE2 4.49Å; I247-F373 HydrophobicContact CB-CE2 4.49Å; I247-F373 HydrophobicContact CD1-CE2 4.19Å; I247-F373 HydrophobicContact CG1-CE2 4.09Å; I247-F373 HydrophobicContact CG2-CE2 3.79Å; I247-F373 HydrophobicContact CG2-CZ 4.47Å; Q251-F373 HydrophobicContact CB-CD2 4.39Å; L252-F373 HydrophobicContact CD2-CE1 4.38Å; L252-F373 HydrophobicContact CD2-CE2 4.14Å; L252-F373 HydrophobicContact CD2-CZ 3.56Å; A255-F373 HydrophobicContact CB-CD1 3.91Å; A255-F373 HydrophobicContact CB-CE1 4.21Å; V279-F373 HydrophobicContact CG2-CE1 4.19Å; R369-F373 VanDerWaalsContact O-CB 3.3Å; R369-F373 WeakPolarHBondContact O-CB 3.43Å; R369-F373 PolarHBondContact O-N 3.27Å; T370-F373 WeakPolarHBondContact O-CB 3.39Å; T370-F373 PolarHBondContact O-N 2.97Å; L371-F373 PolarHBondContact O-N 3.47Å; F373-A376 PolarHBondContact O-N 2.91Å; F373-L377 HydrophobicContact CE1-CD2 4.17Å; F373-L377 HydrophobicContact CE2-CD2 4.44Å; F373-L377 HydrophobicContact CZ-CD2 3.79Å; F373-L377 VanDerWaalsContact O-CB 3.29Å; F373-L377 WeakPolarHBondContact O-CB 3.41Å; F373-L377 PolarHBondContact O-N 2.86Å
374F95.5Very high89Confident1 Ų128 Ų280%0.00414%0.14CC..Hα-helixtrans-67.1-41.8179-79.3-69.7000112.4A255 L259 L275 M278 V279 Y332 T370 L371 H372 A376 L377 F378A255-F374 HydrophobicContact CB-CE2 4.39Å; L259-F374 HydrophobicContact CD1-CE2 3.7Å; L259-F374 HydrophobicContact CD1-CZ 3.64Å; L259-F374 HydrophobicContact CG-CE2 4.36Å; L275-F374 HydrophobicContact CB-CE1 4.13Å; L275-F374 HydrophobicContact CB-CZ 3.87Å; L275-F374 HydrophobicContact CD1-CZ 4.49Å; L275-F374 HydrophobicContact CD2-CD1 4.14Å; L275-F374 HydrophobicContact CD2-CE1 3.84Å; L275-F374 HydrophobicContact CD2-CZ 4.37Å; L275-F374 HydrophobicContact CG-CE1 4.41Å; L275-F374 HydrophobicContact CG-CZ 4.47Å; M278-F374 HydrophobicContact SD-CD1 4.39Å; M278-F374 HydrophobicContact SD-CE1 4.02Å; V279-F374 HydrophobicContact CG2-CE1 4.22Å; V279-F374 HydrophobicContact CG2-CZ 3.73Å; Y332-F374 HydrophobicContact CD1-CB 4.45Å; Y332-F374 HydrophobicContact CD2-CB 3.48Å; Y332-F374 VanDerWaalsContact CD2-CB 3.48Å; Y332-F374 HydrophobicContact CD2-CD2 4.32Å; Y332-F374 AromaticContact CD2-CG 3.9Å; Y332-F374 HydrophobicContact CD2-CG 3.9Å; Y332-F374 HydrophobicContact CE1-CB 4.31Å; Y332-F374 HydrophobicContact CE2-CB 3.32Å; Y332-F374 HydrophobicContact CE2-CD2 4.38Å; Y332-F374 HydrophobicContact CE2-CG 4.09Å; Y332-F374 HydrophobicContact CG-CB 4.07Å; T370-F374 HydrophobicContact CG2-CD2 3.91Å; T370-F374 HydrophobicContact CG2-CE2 3.78Å; T370-F374 VanDerWaalsContact O-CD2 3.29Å; T370-F374 WeakPolarHBondContact O-CD2 3.28Å; T370-F374 PolarHBondContact O-N 3.45Å; L371-F374 PolarHBondContact O-N 3.44Å; H372-F374 PolarHBondContact O-N 2.72Å; F374-A376 VanDerWaalsContact C-N 3.32Å; F374-A376 PolarHBondContact O-N 2.77Å; F374-L377 PolarHBondContact O-N 2.92Å; F374-F378 HydrophobicContact CB-CD2 4.2Å; F374-F378 HydrophobicContact CB-CE2 4.19Å; F374-F378 HydrophobicContact CD1-CD2 4.49Å; F374-F378 AromaticContact CD1-CE2 3.81Å; F374-F378 HydrophobicContact CD1-CE2 3.81Å; F374-F378 HydrophobicContact CG-CE2 4.42Å; F374-F378 WeakPolarHBondContact O-CB 3.32Å; F374-F378 WeakPolarHBondContact O-CD2 3.27Å; F374-F378 PolarHBondContact O-N 2.89Å
375N93Very high90.3Very high69 Ų6928.8 Ų28.837%0.36914%0.142SC..Hα-helixtrans-55.4-47.6174.4-83.2-31.6000112L213 Y332 L371 H372 T379L213-N375 HydrophobicContact CD2-CB 3.8Å; Y332-N375 WeakPolarHBondContact CE1-OD1 3.34Å; Y332-N375 PolarHBondContact OH-ND2 3.45Å; Y332-N375 VanDerWaalsContact OH-ND2 3.08Å; Y332-N375 PolarHBondContact OH-OD1 2.94Å; L371-N375 WeakPolarHBondContact O-CB 3.46Å; L371-N375 PolarHBondContact O-N 3.43Å; L371-N375 PolarHBondContact O-ND2 3.44Å; H372-N375 PolarHBondContact O-N 3.46Å; N375-T379 WeakPolarHBondContact O-CB 3.36Å; N375-T379 PolarHBondContact O-N 3.43Å; N375-T379 PolarHBondContact O-OG1 3.29Å
376A94.7Very high91Very high6 Ų629.4 Ų29.45%0.0514%0.144CC..Hα-helixtrans-67.4-41.4179.900000112.1L213 F245 H372 F373 F374 T379 V380L213-A376 HydrophobicContact CD1-CB 3.7Å; F245-A376 HydrophobicContact CD1-CB 4.28Å; F245-A376 HydrophobicContact CD2-CB 3.63Å; F245-A376 HydrophobicContact CE1-CB 3.98Å; F245-A376 HydrophobicContact CE2-CB 3.31Å; F245-A376 HydrophobicContact CG-CB 4.13Å; F245-A376 HydrophobicContact CZ-CB 3.5Å; H372-A376 WeakPolarHBondContact O-CB 3.31Å; H372-A376 PolarHBondContact O-N 2.73Å; F373-A376 PolarHBondContact O-N 2.91Å; F374-A376 VanDerWaalsContact C-N 3.32Å; F374-A376 PolarHBondContact O-N 2.77Å; A376-T379 PolarHBondContact O-N 3.38Å; A376-V380 PolarHBondContact O-N 2.78Å
377L95.4Very high91.5Very high2 Ų234.5 Ų34.51%0.0117%0.171CC..Hα-helixtrans-60.3-51.1175.3-178.756.4000111.9F245 I247 M278 I282 F373 F374 T379 V380 L381F245-L377 HydrophobicContact CE1-CB 4.1Å; I247-L377 HydrophobicContact CD1-CD1 3.74Å; M278-L377 HydrophobicContact CE-CD2 3.51Å; M278-L377 HydrophobicContact CE-CG 3.97Å; M278-L377 HydrophobicContact SD-CD2 4.07Å; I282-L377 HydrophobicContact CD1-CD2 3.83Å; F373-L377 HydrophobicContact CE1-CD2 4.17Å; F373-L377 HydrophobicContact CE2-CD2 4.44Å; F373-L377 HydrophobicContact CZ-CD2 3.79Å; F373-L377 VanDerWaalsContact O-CB 3.29Å; F373-L377 WeakPolarHBondContact O-CB 3.41Å; F373-L377 PolarHBondContact O-N 2.86Å; F374-L377 PolarHBondContact O-N 2.92Å; L377-T379 VanDerWaalsContact C-N 3.26Å; L377-T379 PolarHBondContact O-N 2.84Å; L377-V380 HydrophobicContact CD1-CG1 4.47Å; L377-V380 VanDerWaalsContact O-CG1 3.24Å; L377-V380 WeakPolarHBondContact O-CG1 3.47Å; L377-V380 PolarHBondContact O-N 2.88Å; L377-L381 HydrophobicContact CD1-CD1 3.69Å; L377-L381 HydrophobicContact CD1-CG 4.05Å; L377-L381 HydrophobicContact CG-CD1 3.83Å; L377-L381 WeakPolarHBondContact O-CB 3.16Å; L377-L381 VanDerWaalsContact O-CG 3.23Å; L377-L381 WeakPolarHBondContact O-CG 3.37Å; L377-L381 PolarHBondContact O-N 3.36Å
378F94.7Very high91.8Very high18 Ų1839.4 Ų39.48%0.07920%0.195CC..Hα-helixtrans-65-31.7178.2-76.4-64.2000112.1L275 M278 M325 Q328 Y332 F374 N382L275-F378 HydrophobicContact CD2-CE2 4.35Å; L275-F378 HydrophobicContact CD2-CZ 4.24Å; M278-F378 HydrophobicContact CE-CE1 4.03Å; M278-F378 HydrophobicContact CE-CZ 4.07Å; M278-F378 HydrophobicContact SD-CE1 4.41Å; M278-F378 HydrophobicContact SD-CZ 3.89Å; M325-F378 HydrophobicContact CE-CD1 3.44Å; M325-F378 VanDerWaalsContact CE-CD1 3.44Å; M325-F378 HydrophobicContact CE-CE1 3.71Å; M325-F378 HydrophobicContact SD-CD1 4.43Å; M325-F378 HydrophobicContact SD-CE1 4.15Å; Q328-F378 HydrophobicContact CB-CE1 4.03Å; Q328-F378 HydrophobicContact CB-CZ 4Å; Q328-F378 WeakPolarHBondContact O-CZ 3.41Å; Y332-F378 VanDerWaalsContact CB-CE2 3.43Å; Y332-F378 AromaticContact CD1-CD2 3.66Å; Y332-F378 HydrophobicContact CD1-CD2 3.66Å; Y332-F378 AromaticContact CD1-CE2 3.87Å; Y332-F378 HydrophobicContact CD1-CE2 3.87Å; Y332-F378 HydrophobicContact CD2-CE2 4.42Å; Y332-F378 HydrophobicContact CE1-CD2 4.34Å; Y332-F378 AromaticContact CG-CD2 3.92Å; Y332-F378 HydrophobicContact CG-CD2 3.92Å; Y332-F378 AromaticContact CG-CE2 3.64Å; Y332-F378 HydrophobicContact CG-CE2 3.64Å; F374-F378 HydrophobicContact CB-CD2 4.2Å; F374-F378 HydrophobicContact CB-CE2 4.19Å; F374-F378 HydrophobicContact CD1-CD2 4.49Å; F374-F378 AromaticContact CD1-CE2 3.81Å; F374-F378 HydrophobicContact CD1-CE2 3.81Å; F374-F378 HydrophobicContact CG-CE2 4.42Å; F374-F378 WeakPolarHBondContact O-CB 3.32Å; F374-F378 WeakPolarHBondContact O-CD2 3.27Å; F374-F378 PolarHBondContact O-N 2.89Å; F378-N382 WeakPolarHBondContact O-CB 3.4Å; F378-N382 PolarHBondContact O-N 2.96Å
379T93.3Very high92.2Very high33 Ų3341.8 Ų41.820%0.20221%0.207CC..Hα-helixtrans-64.5-50.4175.7-61.50000111.4P212 L213 N375 A376 L377 N382 Y383P212-T379 HydrophobicContact CB-CG2 4.06Å; P212-T379 HydrophobicContact CG-CG2 3.94Å; L213-T379 WeakPolarHBondContact CD2-OG1 3.49Å; N375-T379 WeakPolarHBondContact O-CB 3.36Å; N375-T379 PolarHBondContact O-N 3.43Å; N375-T379 PolarHBondContact O-OG1 3.29Å; A376-T379 PolarHBondContact O-N 3.38Å; L377-T379 VanDerWaalsContact C-N 3.26Å; L377-T379 PolarHBondContact O-N 2.84Å; T379-N382 PolarHBondContact O-N 3.41Å; T379-Y383 HydrophobicContact CG2-CD2 4.18Å; T379-Y383 HydrophobicContact CG2-CE2 3.92Å; T379-Y383 WeakPolarHBondContact O-CD2 3.32Å; T379-Y383 PolarHBondContact O-N 3Å; T379-Y383 VanDerWaalsContact O-N 3.09Å
380V94.5Very high92.4Very high3 Ų339.7 Ų39.72%0.01821%0.209CC..Hα-helixtrans-66.3-40.8179.769.50000111.7A243 F245 A376 L377 N382 Y383 M384 Y395 F448A243-V380 WeakPolarHBondContact O-CG2 3.23Å; F245-V380 HydrophobicContact CB-CB 4.14Å; F245-V380 HydrophobicContact CB-CG1 4.01Å; F245-V380 HydrophobicContact CB-CG2 4.47Å; F245-V380 HydrophobicContact CD1-CG1 4.19Å; A376-V380 PolarHBondContact O-N 2.78Å; L377-V380 HydrophobicContact CD1-CG1 4.47Å; L377-V380 VanDerWaalsContact O-CG1 3.24Å; L377-V380 WeakPolarHBondContact O-CG1 3.47Å; L377-V380 PolarHBondContact O-N 2.88Å; V380-N382 VanDerWaalsContact C-N 3.34Å; V380-N382 PolarHBondContact O-N 3.48Å; V380-Y383 WeakPolarHBondContact O-CB 3.42Å; V380-Y383 PolarHBondContact O-N 3.17Å; V380-M384 WeakPolarHBondContact O-CG 3.34Å; V380-M384 PolarHBondContact O-N 3.18Å; V380-Y395 HydrophobicContact CG2-CD1 4.47Å; V380-Y395 HydrophobicContact CG2-CE1 3.69Å; V380-F448 HydrophobicContact CG1-CD1 4.41Å; V380-F448 HydrophobicContact CG1-CG 4.3Å; V380-F448 HydrophobicContact CG2-CB 3.72Å; V380-F448 HydrophobicContact CG2-CD1 4.32Å; V380-F448 HydrophobicContact CG2-CG 4.21Å
381L93.5Very high92.6Very high7 Ų740.7 Ų40.74%0.03721%0.213CC..Hα-helixtrans-66.8-36.1177.7-65.4175.4000111.7M278 M325 L377 M384 F385 F448M278-L381 HydrophobicContact CE-CD1 3.81Å; M325-L381 HydrophobicContact CE-CB 3.42Å; M325-L381 VanDerWaalsContact CE-CB 3.42Å; M325-L381 HydrophobicContact CE-CD1 3.62Å; M325-L381 HydrophobicContact CE-CG 4.16Å; M325-L381 HydrophobicContact SD-CB 4.2Å; M325-L381 HydrophobicContact SD-CD1 3.47Å; M325-L381 WeakPolarHBondContact SD-CD1 3.47Å; M325-L381 HydrophobicContact SD-CG 4.41Å; L377-L381 HydrophobicContact CD1-CD1 3.69Å; L377-L381 HydrophobicContact CD1-CG 4.05Å; L377-L381 HydrophobicContact CG-CD1 3.83Å; L377-L381 WeakPolarHBondContact O-CB 3.16Å; L377-L381 VanDerWaalsContact O-CG 3.23Å; L377-L381 WeakPolarHBondContact O-CG 3.37Å; L377-L381 PolarHBondContact O-N 3.36Å; L381-M384 HydrophobicContact CD2-SD 4.29Å; L381-M384 PolarHBondContact O-N 2.93Å; L381-F385 HydrophobicContact CB-CD2 4.18Å; L381-F385 HydrophobicContact CB-CE2 4.03Å; L381-F385 HydrophobicContact CD2-CE2 3.89Å; L381-F385 HydrophobicContact CD2-CZ 4.13Å; L381-F385 HydrophobicContact CG-CE2 4.44Å; L381-F385 WeakPolarHBondContact O-CB 3.38Å; L381-F385 VanDerWaalsContact O-CD2 3.24Å; L381-F385 WeakPolarHBondContact O-CD2 3.26Å; L381-F385 WeakPolarHBondContact O-CG 3.46Å; L381-F385 PolarHBondContact O-N 3.29Å; L381-F448 HydrophobicContact CD2-CE1 4.01Å
382N92.3Very high92.7Very high96 Ų9640.3 Ų40.351%0.51321%0.211SC..Hα-helixtrans-62.8-41.8173-17863.7000111.7F378 T379 V380 M384 F385 R386F378-N382 WeakPolarHBondContact O-CB 3.4Å; F378-N382 PolarHBondContact O-N 2.96Å; T379-N382 PolarHBondContact O-N 3.41Å; V380-N382 VanDerWaalsContact C-N 3.34Å; V380-N382 PolarHBondContact O-N 3.48Å; N382-M384 VanDerWaalsContact C-N 3.31Å; N382-M384 PolarHBondContact O-N 3.07Å; N382-F385 PolarHBondContact O-N 2.98Å; N382-R386 WeakPolarHBondContact O-CB 3.48Å; N382-R386 VanDerWaalsContact O-CG 3.28Å; N382-R386 WeakPolarHBondContact O-CG 3.17Å; N382-R386 PolarHBondContact O-N 2.66Å
383Y92.4Very high93Very high7 Ų739.8 Ų39.83%0.02722%0.217CC..Hα-helixtrans-61-40.7173-82.1-61000112.7P212 T379 V380 R386 H391 Y395 V455 V456P212-Y383 HydrophobicContact CG-CE2 3.74Å; P212-Y383 WeakPolarHBondContact CG-OH 3.22Å; T379-Y383 HydrophobicContact CG2-CD2 4.18Å; T379-Y383 HydrophobicContact CG2-CE2 3.92Å; T379-Y383 WeakPolarHBondContact O-CD2 3.32Å; T379-Y383 PolarHBondContact O-N 3Å; T379-Y383 VanDerWaalsContact O-N 3.09Å; V380-Y383 WeakPolarHBondContact O-CB 3.42Å; V380-Y383 PolarHBondContact O-N 3.17Å; Y383-R386 VanDerWaalsContact CD1-CZ 3.48Å; Y383-H391 WeakPolarHBondContact O-CB 3.36Å; Y383-Y395 WeakPolarHBondContact CB-OH 3.48Å; Y383-V455 HydrophobicContact CD1-CG1 3.42Å; Y383-V455 VanDerWaalsContact CD1-CG1 3.42Å; Y383-V455 HydrophobicContact CE1-CG1 4.02Å; Y383-V455 WeakPolarHBondContact CE1-O 3.31Å; Y383-V455 HydrophobicContact CG-CG1 3.92Å; Y383-V456 HydrophobicContact CE1-CG2 4.13Å; Y383-V456 HydrophobicContact CE2-CG2 4.15Å
384M93.8Very high93Very high0 Ų041 Ų410%022%0.224CC..Hα-helixtrans-68.6-36179.7-69.7176.969.800113I311 V380 L381 N382 L392 Y395 V397 F448I311-M384 HydrophobicContact CG2-CE 4.04Å; V380-M384 WeakPolarHBondContact O-CG 3.34Å; V380-M384 PolarHBondContact O-N 3.18Å; L381-M384 HydrophobicContact CD2-SD 4.29Å; L381-M384 PolarHBondContact O-N 2.93Å; N382-M384 VanDerWaalsContact C-N 3.31Å; N382-M384 PolarHBondContact O-N 3.07Å; M384-L392 HydrophobicContact CB-CD1 4.2Å; M384-L392 HydrophobicContact CE-CD1 3.65Å; M384-Y395 HydrophobicContact CE-CG 4.48Å; M384-Y395 HydrophobicContact CG-CD1 3.96Å; M384-Y395 HydrophobicContact CG-CD2 3.59Å; M384-Y395 HydrophobicContact CG-CE1 4.07Å; M384-Y395 HydrophobicContact CG-CE2 3.72Å; M384-Y395 HydrophobicContact CG-CG 3.71Å; M384-Y395 HydrophobicContact SD-CD1 4.17Å; M384-Y395 HydrophobicContact SD-CG 4.21Å; M384-V397 HydrophobicContact CE-CG2 4.43Å; M384-F448 HydrophobicContact CE-CD1 4.45Å; M384-F448 HydrophobicContact SD-CD1 3.61Å; M384-F448 HydrophobicContact SD-CE1 4Å
385F92.1Very high93.1Very high29 Ų2941 Ų4113%0.12722%0.223CC..Hα-helixtrans-105.7-16.3-168.5-57.1-34.7000115.6C312 P322 M325 L381 N382 M389 L392C312-F385 HydrophobicContact CB-CE1 4.35Å; P322-F385 HydrophobicContact CB-CB 4.47Å; P322-F385 HydrophobicContact CB-CD1 4.46Å; P322-F385 HydrophobicContact CB-CD2 4.4Å; P322-F385 HydrophobicContact CB-CG 4.21Å; M325-F385 HydrophobicContact CG-CD2 3.92Å; M325-F385 HydrophobicContact CG-CE2 3.76Å; M325-F385 HydrophobicContact SD-CE2 4.42Å; L381-F385 HydrophobicContact CB-CD2 4.18Å; L381-F385 HydrophobicContact CB-CE2 4.03Å; L381-F385 HydrophobicContact CD2-CE2 3.89Å; L381-F385 HydrophobicContact CD2-CZ 4.13Å; L381-F385 HydrophobicContact CG-CE2 4.44Å; L381-F385 WeakPolarHBondContact O-CB 3.38Å; L381-F385 VanDerWaalsContact O-CD2 3.24Å; L381-F385 WeakPolarHBondContact O-CD2 3.26Å; L381-F385 WeakPolarHBondContact O-CG 3.46Å; L381-F385 PolarHBondContact O-N 3.29Å; N382-F385 PolarHBondContact O-N 2.98Å; F385-M389 HydrophobicContact CB-CG 4.49Å; F385-M389 HydrophobicContact CD1-CG 4.23Å; F385-M389 PolarHBondContact O-N 2.86Å; F385-L392 HydrophobicContact CD1-CD1 4.47Å; F385-L392 HydrophobicContact CE1-CD1 4.2Å
386R89.2Confident93.3Very high39 Ų3941.5 Ų41.515%0.14722%0.22CC..Hα-helixtrans-60.2164.3176.269.9177.8-168.1-168.2-2.4112.2N382 Y383 N388 M389 H391 V455N382-R386 WeakPolarHBondContact O-CB 3.48Å; N382-R386 VanDerWaalsContact O-CG 3.28Å; N382-R386 WeakPolarHBondContact O-CG 3.17Å; N382-R386 PolarHBondContact O-N 2.66Å; Y383-R386 VanDerWaalsContact CD1-CZ 3.48Å; R386-N388 VanDerWaalsContact C-N 3.29Å; R386-N388 PolarHBondContact O-N 3.21Å; R386-M389 WeakPolarHBondContact O-CA 3.37Å; R386-M389 PolarHBondContact O-N 3.11Å; R386-H391 PolarHBondContact NE-CD2 2.78Å; R386-H391 PolarHBondContact NE-NE2 2.99Å; R386-H391 PolarHBondContact NH2-NE2 3.15Å; R386-V455 PolarHBondContact NH2-O 3.21Å
387D88Confident93.4Very high108 Ų10841.2 Ų41.258%0.57822%0.218SC*.Hα-helixtrans51.546.5172.2-54.1-42.1000112.9M389 C390D387-M389 VanDerWaalsContact C-N 3.32Å; D387-M389 PolarHBondContact O-N 3.43Å; D387-C390 VanDerWaalsContact CB-SG 3.58Å; D387-C390 WeakPolarHBondContact O-CB 3.24Å; D387-C390 PolarHBondContact O-N 2.93Å
388N89Confident93.4Very high160 Ų16041.2 Ų41.286%0.85622%0.218SC*.Hα-helixtrans57.140.4-175.9-60.9-38.9000113.6R386 C390R386-N388 VanDerWaalsContact C-N 3.29Å; R386-N388 PolarHBondContact O-N 3.21Å; N388-C390 PolarHBondContact O-N 3.23Å
389M91.4Very high93.5Very high78 Ų7840.4 Ų40.438%0.38421%0.214SC..Hα-helixtrans59.728.5179-55.8171.9-79.800113.5P322 F385 R386 D387 H391 L392P322-M389 HydrophobicContact CG-SD 4.19Å; F385-M389 HydrophobicContact CB-CG 4.49Å; F385-M389 HydrophobicContact CD1-CG 4.23Å; F385-M389 PolarHBondContact O-N 2.86Å; R386-M389 WeakPolarHBondContact O-CA 3.37Å; R386-M389 PolarHBondContact O-N 3.11Å; D387-M389 VanDerWaalsContact C-N 3.32Å; D387-M389 PolarHBondContact O-N 3.43Å; M389-H391 PolarHBondContact O-N 3.03Å; M389-L392 HydrophobicContact CB-CB 4.16Å; M389-L392 HydrophobicContact CB-CD2 4.37Å; M389-L392 VanDerWaalsContact O-CB 3.23Å; M389-L392 WeakPolarHBondContact O-CB 3.38Å; M389-L392 PolarHBondContact O-N 3.18Å; M389-L392 HydrophobicContact SD-CD2 4.48Å
390C92.5Very high93.5Very high67 Ų6739.3 Ų39.345%0.45321%0.208SC..THydrogen-bonded Turntrans-61-29.5-176.869.40000112.8D387 N388D387-C390 VanDerWaalsContact CB-SG 3.58Å; D387-C390 WeakPolarHBondContact O-CB 3.24Å; D387-C390 PolarHBondContact O-N 2.93Å; N388-C390 PolarHBondContact O-N 3.23Å
391H94.1Very high93.4Very high25 Ų2540.3 Ų40.312%0.11621%0.212CC..THydrogen-bonded Turntrans-87.4-1.2178.8-63-53.5000114.1Y383 R386 M389 S393 D394 Y395 V455Y383-H391 WeakPolarHBondContact O-CB 3.36Å; R386-H391 PolarHBondContact NE-CD2 2.78Å; R386-H391 PolarHBondContact NE-NE2 2.99Å; R386-H391 PolarHBondContact NH2-NE2 3.15Å; M389-H391 PolarHBondContact O-N 3.03Å; H391-S393 PolarHBondContact O-N 3.24Å; H391-D394 VanDerWaalsContact CA-OD2 3.31Å; H391-D394 WeakPolarHBondContact CA-OD2 3.34Å; H391-D394 IonicContact CG-OD2 3.96Å; H391-D394 IonicContact ND1-OD2 2.91Å; H391-D394 PolarHBondContact ND1-OD2 2.84Å; H391-D394 VanDerWaalsContact ND1-OD2 3.16Å; H391-D394 WeakPolarHBondContact O-CA 3.42Å; H391-D394 VanDerWaalsContact O-CB 3.22Å; H391-D394 WeakPolarHBondContact O-CB 3.42Å; H391-D394 PolarHBondContact O-N 2.68Å; H391-Y395 WeakPolarHBondContact O-CD2 3.25Å; H391-V455 HydrophobicContact CB-CG2 4.33Å
392L94Very high92.8Very high13 Ų1341.7 Ų41.77%0.06822%0.221CC..G310 helixtrans-60.8-33.7-174.5-168.263.6000112G308 R309 C312 M384 F385 M389 D394 Y395G308-L392 VanDerWaalsContact C-CG 3.41Å; G308-L392 VanDerWaalsContact CA-O 3.27Å; G308-L392 WeakPolarHBondContact CA-O 3.28Å; G308-L392 VanDerWaalsContact O-CD1 3.31Å; G308-L392 WeakPolarHBondContact O-CD1 3.39Å; G308-L392 WeakPolarHBondContact O-CG 3.41Å; R309-L392 HydrophobicContact CG-CD2 4.12Å; C312-L392 HydrophobicContact CB-CD1 4.22Å; C312-L392 HydrophobicContact CB-CD2 3.9Å; M384-L392 HydrophobicContact CB-CD1 4.2Å; M384-L392 HydrophobicContact CE-CD1 3.65Å; F385-L392 HydrophobicContact CD1-CD1 4.47Å; F385-L392 HydrophobicContact CE1-CD1 4.2Å; M389-L392 HydrophobicContact CB-CB 4.16Å; M389-L392 HydrophobicContact CB-CD2 4.37Å; M389-L392 VanDerWaalsContact O-CB 3.23Å; M389-L392 WeakPolarHBondContact O-CB 3.38Å; M389-L392 PolarHBondContact O-N 3.18Å; M389-L392 HydrophobicContact SD-CD2 4.48Å; L392-D394 PolarHBondContact O-N 3.43Å; L392-Y395 PolarHBondContact O-N 3.05Å
393S94.6Very high92Very high72 Ų7240.4 Ų40.450%0.50321%0.213SC..G310 helixtrans-67.7-22.4174.743.40000114.4H391 Y395 R396H391-S393 PolarHBondContact O-N 3.24Å; S393-Y395 PolarHBondContact O-N 2.9Å; S393-R396 PolarHBondContact O-NH1 3.2Å; S393-R396 VanDerWaalsContact O-NH1 3.16Å
394D95.9Very high90.9Very high29 Ų2941.1 Ų41.116%0.15522%0.222CC..G310 helixtrans-75.1-9.8179.5-60.8-45.3000112.4H391 L392 L451 N452 V455H391-D394 VanDerWaalsContact CA-OD2 3.31Å; H391-D394 WeakPolarHBondContact CA-OD2 3.34Å; H391-D394 IonicContact CG-OD2 3.96Å; H391-D394 IonicContact ND1-OD2 2.91Å; H391-D394 PolarHBondContact ND1-OD2 2.84Å; H391-D394 VanDerWaalsContact ND1-OD2 3.16Å; H391-D394 WeakPolarHBondContact O-CA 3.42Å; H391-D394 VanDerWaalsContact O-CB 3.22Å; H391-D394 WeakPolarHBondContact O-CB 3.42Å; H391-D394 PolarHBondContact O-N 2.68Å; L392-D394 PolarHBondContact O-N 3.43Å; D394-L451 WeakPolarHBondContact O-CB 3.39Å; D394-L451 PolarHBondContact O-N 3.15Å; D394-N452 HydrophobicContact CB-CB 3.71Å; D394-N452 WeakPolarHBondContact OD1-CB 3.48Å; D394-N452 PolarHBondContact OD1-ND2 3.44Å; D394-V455 HydrophobicContact CB-CG2 4.01Å
395Y97.4Very high89.9Confident0 Ų048.7 Ų48.70%025%0.252CS..EExtended strand (participates in β ladder)trans-104.3144.7-178.5-76.8-96.3000113.3A243 G308 V380 Y383 M384 H391 L392 S393 W449 C450A243-Y395 WeakPolarHBondContact O-CE1 3.32Å; A243-Y395 PolarHBondContact O-OH 2.91Å; G308-Y395 PolarHBondContact N-O 3.17Å; V380-Y395 HydrophobicContact CG2-CD1 4.47Å; V380-Y395 HydrophobicContact CG2-CE1 3.69Å; Y383-Y395 WeakPolarHBondContact CB-OH 3.48Å; M384-Y395 HydrophobicContact CE-CG 4.48Å; M384-Y395 HydrophobicContact CG-CD1 3.96Å; M384-Y395 HydrophobicContact CG-CD2 3.59Å; M384-Y395 HydrophobicContact CG-CE1 4.07Å; M384-Y395 HydrophobicContact CG-CE2 3.72Å; M384-Y395 HydrophobicContact CG-CG 3.71Å; M384-Y395 HydrophobicContact SD-CD1 4.17Å; M384-Y395 HydrophobicContact SD-CG 4.21Å; H391-Y395 WeakPolarHBondContact O-CD2 3.25Å; L392-Y395 PolarHBondContact O-N 3.05Å; S393-Y395 PolarHBondContact O-N 2.9Å; Y395-W449 WeakPolarHBondContact CA-O 3.08Å; Y395-C450 HydrophobicContact CD1-CB 4.23Å; Y395-C450 HydrophobicContact CE1-CB 3.64Å
396R97.3Very high88.7Confident79 Ų7952.6 Ų52.630%0.29827%0.271SS..EExtended strand (participates in β ladder)trans-118.4133.8157-68-63.9176.1-78.7-4.1108.8V305 W306 S393 V398 W449 L451V305-R396 HydrophobicContact CG1-CB 4.44Å; W306-R396 WeakPolarHBondContact O-CA 3.49Å; W306-R396 WeakPolarHBondContact O-CD 3.22Å; S393-R396 PolarHBondContact O-NH1 3.2Å; S393-R396 VanDerWaalsContact O-NH1 3.16Å; R396-V398 HydrophobicContact CB-CG2 4.5Å; R396-W449 PolarHBondContact N-O 2.94Å; R396-W449 PolarHBondContact O-N 2.81Å; R396-L451 HydrophobicContact CB-CD1 4.35Å; R396-L451 HydrophobicContact CG-CD1 3.51Å; R396-L451 HydrophobicContact CG-CG 4.28Å
397V96.7Very high87.6Confident0 Ų056.6 Ų56.60%029%0.289CS..EExtended strand (participates in β ladder)trans-106130.4171.2-179.60000108.2W306 I311 M384 L446 N447 F448W306-V397 HydrophobicContact CE3-CB 4.38Å; W306-V397 HydrophobicContact CE3-CG1 4.2Å; W306-V397 HydrophobicContact CZ3-CG1 4.49Å; W306-V397 PolarHBondContact N-O 3.27Å; W306-V397 PolarHBondContact O-N 2.91Å; I311-V397 HydrophobicContact CB-CB 4.07Å; I311-V397 HydrophobicContact CB-CG2 4.16Å; I311-V397 HydrophobicContact CD1-CB 4.37Å; I311-V397 HydrophobicContact CD1-CG1 4.09Å; I311-V397 HydrophobicContact CG1-CB 3.83Å; I311-V397 HydrophobicContact CG1-CG1 3.91Å; I311-V397 HydrophobicContact CG1-CG2 3.96Å; I311-V397 HydrophobicContact CG2-CB 4.1Å; I311-V397 HydrophobicContact CG2-CG2 3.67Å; M384-V397 HydrophobicContact CE-CG2 4.43Å; V397-L446 HydrophobicContact CG1-CD1 3.48Å; V397-L446 VanDerWaalsContact CG1-CD1 3.48Å; V397-L446 HydrophobicContact CG1-CG 3.94Å; V397-N447 CarbonylContact C-O 3.57Å; V397-N447 VanDerWaalsContact CA-O 3.25Å; V397-N447 WeakPolarHBondContact CA-O 3.37Å; V397-F448 HydrophobicContact CG2-CD1 3.51Å; V397-F448 HydrophobicContact CG2-CE1 3.88Å; V397-F448 HydrophobicContact CG2-CG 4.09Å
398V95.8Very high86.3Confident3 Ų356.8 Ų56.82%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-129.4117-172.5-169.90000110.1T303 Q304 V305 R396 V400 N447 W449T303-V398 HydrophobicContact CG2-CG1 4.31Å; Q304-V398 CarbonylContact O-C 3.53Å; Q304-V398 WeakPolarHBondContact O-CA 3.48Å; V305-V398 HydrophobicContact CG1-CG2 4.26Å; V305-V398 HydrophobicContact CG2-CG1 4.05Å; V305-V398 HydrophobicContact CG2-CG2 4.1Å; R396-V398 HydrophobicContact CB-CG2 4.5Å; V398-V400 HydrophobicContact CB-CG2 4.44Å; V398-V400 HydrophobicContact CG1-CG2 3.65Å; V398-N447 HydrophobicContact CB-CB 4.5Å; V398-N447 PolarHBondContact N-O 2.91Å; V398-N447 PolarHBondContact O-N 2.81Å; V398-N447 PolarHBondContact O-ND2 3.23Å; V398-N447 VanDerWaalsContact O-ND2 3.12Å; V398-W449 HydrophobicContact CB-CE3 4.47Å; V398-W449 HydrophobicContact CB-CH2 4.26Å; V398-W449 HydrophobicContact CB-CZ2 4.5Å; V398-W449 HydrophobicContact CB-CZ3 4.26Å; V398-W449 HydrophobicContact CG1-CH2 4.31Å; V398-W449 HydrophobicContact CG1-CZ3 4.5Å; V398-W449 HydrophobicContact CG2-CD2 4.1Å; V398-W449 HydrophobicContact CG2-CE3 3.57Å; V398-W449 HydrophobicContact CG2-CH2 4.08Å; V398-W449 HydrophobicContact CG2-CZ3 3.57Å
399L96.4Very high84.7Confident0 Ų056 Ų560%028%0.281CS..EExtended strand (participates in β ladder)trans-85.5127.3166.5-175.765.6000108.8M286 T289 L293 T303 Q304 W306 L444 S445 L446M286-L399 HydrophobicContact CB-CD1 4.07Å; M286-L399 HydrophobicContact CE-CD1 4.05Å; M286-L399 HydrophobicContact CG-CD1 3.84Å; M286-L399 WeakPolarHBondContact O-CD2 3.49Å; T289-L399 HydrophobicContact CG2-CD2 3.76Å; L293-L399 HydrophobicContact CD2-CB 4.24Å; L293-L399 HydrophobicContact CD2-CD2 4Å; L293-L399 HydrophobicContact CD2-CG 4.03Å; T303-L399 CarbonylContact C-O 3.57Å; T303-L399 WeakPolarHBondContact CA-O 3.31Å; Q304-L399 HydrophobicContact CB-CB 4.46Å; Q304-L399 PolarHBondContact N-O 3.33Å; Q304-L399 PolarHBondContact O-N 3.42Å; W306-L399 HydrophobicContact CH2-CB 3.83Å; W306-L399 HydrophobicContact CH2-CD2 4.38Å; W306-L399 HydrophobicContact CZ3-CB 3.7Å; L399-L444 HydrophobicContact CD1-CB 4.17Å; L399-L444 HydrophobicContact CD1-CD2 4.17Å; L399-L444 HydrophobicContact CG-CD2 4.28Å; L399-S445 CarbonylContact C-O 3.58Å; L399-S445 WeakPolarHBondContact CA-O 3.36Å; L399-L446 HydrophobicContact CB-CD1 4.3Å; L399-L446 HydrophobicContact CD1-CB 4.48Å; L399-L446 HydrophobicContact CD1-CD1 4.4Å
400V93.8Very high82.6Confident10 Ų1056.3 Ų56.36%0.06129%0.288CS..EExtended strand (participates in β ladder)trans-128.1132.2-178.3-174.80000109.9Q301 T303 V398 T402 L444 S445Q301-V400 HydrophobicContact CB-CG1 3.8Å; Q301-V400 HydrophobicContact CG-CG1 4.5Å; T303-V400 HydrophobicContact CG2-CB 4.26Å; T303-V400 HydrophobicContact CG2-CG1 4.04Å; T303-V400 HydrophobicContact CG2-CG2 3.77Å; V398-V400 HydrophobicContact CB-CG2 4.44Å; V398-V400 HydrophobicContact CG1-CG2 3.65Å; V400-T402 HydrophobicContact CB-CG2 4.37Å; V400-T402 HydrophobicContact CG1-CG2 3.93Å; V400-T402 PolarHBondContact O-N 2.78Å; V400-L444 WeakPolarHBondContact O-CA 3.37Å; V400-S445 PolarHBondContact N-O 3.21Å; V400-S445 PolarHBondContact O-N 2.94Å
401E91.3Very high80.2Confident25 Ų2563 Ų6312%0.11731%0.309CS..EExtended strand (participates in β ladder)trans-81.1107164.5-175.6179.9-10600108.9L293 P302 K442 L444L293-E401 HydrophobicContact CD1-CB 3.81Å; P302-E401 HydrophobicContact CB-CB 4.28Å; P302-E401 HydrophobicContact CG-CB 4.24Å; P302-E401 PolarHBondContact O-N 2.99Å; P302-E401 VanDerWaalsContact O-N 3.08Å; E401-K442 HydrophobicContact CG-CD 4.23Å; E401-K442 WeakPolarHBondContact OE1-CD 3.28Å; E401-K442 IonicContact OE1-NZ 3.56Å; E401-K442 PolarHBondContact OE1-NZ 2.77Å; E401-K442 VanDerWaalsContact OE1-NZ 3.15Å; E401-K442 IonicContact OE2-NZ 3.77Å; E401-K442 PolarHBondContact OE2-NZ 2.72Å; E401-L444 HydrophobicContact CB-CD2 4.29Å
402T80.3Confident77.7Confident36 Ų3669.5 Ų69.522%0.22134%0.34CS..EExtended strand (participates in β ladder)trans-98.7148.4177.760.80000110.9V400 Q443V400-T402 HydrophobicContact CB-CG2 4.37Å; V400-T402 HydrophobicContact CG1-CG2 3.93Å; V400-T402 PolarHBondContact O-N 2.78Å; T402-Q443 WeakPolarHBondContact CA-O 3.25Å; T402-Q443 PolarHBondContact N-O 3.18Å; T402-Q443 PolarHBondContact O-N 2.83Å; T402-Q443 PolarHBondContact OG1-O 3.35Å
403M77Confident74.8Confident68 Ų6873.3 Ų73.334%0.33537%0.368SS..EExtended strand (participates in β ladder)trans-98.2110.9173.6-68.8-67.9158.100109.1E440 K442M403-E440 HydrophobicContact CB-CG 4.49Å; M403-E440 WeakPolarHBondContact CG-OE1 3.39Å; M403-E440 VanDerWaalsContact SD-CD 3.58Å; M403-E440 HydrophobicContact SD-CG 3.64Å; M403-K442 HydrophobicContact CE-CD 3.7Å; M403-K442 HydrophobicContact CE-CG 3.65Å; M403-K442 HydrophobicContact SD-CG 3.97Å
404G68.6Low72Confident22 Ų2278.4 Ų78.423%0.22739%0.387CS..EExtended strand (participates in β ladder)trans-94.2161.7168.800000111.1E440 N441G404-E440 WeakPolarHBondContact O-CA 3.36Å; G404-N441 WeakPolarHBondContact CA-O 3.32Å; G404-N441 PolarHBondContact N-O 3.31Å; G404-N441 PolarHBondContact O-N 3.3Å
405Y72.2Confident68.8Low159 Ų15982.2 Ų82.262%0.62441%0.412SS*.EExtended strand (participates in β ladder)trans-121.9114.4172.1-65.2-86.9000108.4F438 V439 E440Y405-F438 HydrophobicContact CD1-CB 4.42Å; Y405-V439 WeakPolarHBondContact CA-O 3.36Å; Y405-E440 HydrophobicContact CE1-CB 4.39Å; Y405-E440 HydrophobicContact CE1-CG 4.44Å
406E67.6Low65.7Low112 Ų11289.9 Ų89.952%0.52345%0.453SS..EExtended strand (participates in β ladder)trans-94.8129177.5-163.4170.9-17900109.8Q408 F438 V439 N441E406-Q408 PolarHBondContact O-N 3.5Å; E406-Q408 VanDerWaalsContact O-N 3.14Å; E406-F438 WeakPolarHBondContact O-CA 3.47Å; E406-V439 PolarHBondContact N-O 2.99Å; E406-V439 PolarHBondContact O-N 3.34Å; E406-N441 PolarHBondContact OE2-ND2 3.4Å
407K65.2Low62.5Low123 Ų12395 Ų9554%0.53548%0.479SS..EExtended strand (participates in β ladder)trans-78.796.9177.6-170.3-179.7-177.5-177.20108.6L409 P436 F438K407-L409 PolarHBondContact O-N 3.33Å; K407-P436 HydrophobicContact CD-CB 4.02Å; K407-P436 HydrophobicContact CG-CB 3.7Å; K407-F438 HydrophobicContact CB-CD1 4.23Å; K407-F438 HydrophobicContact CB-CE1 3.92Å; K407-F438 HydrophobicContact CG-CE1 4.12Å; K407-F438 HydrophobicContact CG-CZ 4.39Å
408Q61.3Low59.3Low111 Ų111103.8 Ų103.852%0.51952%0.518SS..EExtended strand (participates in β ladder)trans-76.7114.7170-82.2-168.4-9.400109.4E406 T410 H437 V439E406-Q408 PolarHBondContact O-N 3.5Å; E406-Q408 VanDerWaalsContact O-N 3.14Å; Q408-T410 PolarHBondContact O-N 3.17Å; Q408-H437 PolarHBondContact N-O 2.86Å; Q408-V439 HydrophobicContact CB-CG2 4.35Å; Q408-V439 HydrophobicContact CG-CG2 4.04Å
409L55Low56.2Low144 Ų144112.9 Ų112.975%0.75456%0.557SS**  trans-73.7114.7158.2-72.6160.8000105.9K407 K411K407-L409 PolarHBondContact O-N 3.33Å; L409-K411 PolarHBondContact O-N 3.11Å
410T48.2Very low53Low85 Ų85117.7 Ų117.752%0.52159%0.591SS.*  trans-55.1107.1170.933.40000107.9Q408 E412Q408-T410 PolarHBondContact O-N 3.17Å; T410-E412 PolarHBondContact O-N 2.96Å
411K41.8Very low50Low206 Ų206123.7 Ų123.790%0.89663%0.627SS**  trans-68.785.2161.4-78.5-178176.5177.40105.7L409 S413L409-K411 PolarHBondContact O-N 3.11Å; K411-S413 VanDerWaalsContact C-N 3.29Å; K411-S413 PolarHBondContact O-N 3.3Å
412E42.2Very low47Very low162 Ų162131.7 Ų131.776%0.75767%0.665SS**  trans-63104158.8-81.2-178.7169.500106.6T410 I414T410-E412 PolarHBondContact O-N 2.96Å; E412-I414 PolarHBondContact O-N 3.49Å
413S32.3Very low44.6Very low94 Ų94134 Ų13466%0.65768%0.682SS**  trans8.1100.2155.2-42.60000115.5K411 T415K411-S413 VanDerWaalsContact C-N 3.29Å; K411-S413 PolarHBondContact O-N 3.3Å; S413-T415 PolarHBondContact O-N 3.23Å
414I36.3Very low42.8Very low178 Ų178141 Ų14191%0.91371%0.711SS**  trans-73.478.9148.5-57.5173.2000106.1E412E412-I414 PolarHBondContact O-N 3.49Å
415T29.1Very low41.1Very low110 Ų110147.3 Ų147.368%0.67574%0.736SS**  trans-132.172.7160.251.40000107S413S413-T415 PolarHBondContact O-N 3.23Å
416D30.9Very low39.2Very low160 Ų160145.4 Ų145.486%0.85674%0.737SS**  trans-127.881.2161.1-93.8-28.2000109.2
417H30Very low37.7Very low186 Ų186144.4 Ų144.486%0.86175%0.748SS**  trans-78.6118.4149-91-56.6000107.9
418K30.5Very low36.3Very low185 Ų185149.3 Ų149.380%0.80476%0.763SS**  trans89.798.5162.5-57.5174.5175174.80117.2
419K29.9Very low35.2Very low195 Ų195151.1 Ų151.185%0.84878%0.775SS**  164.613594.8-99.6174.3178.6-178.70112.9
420S29.2Very low34.3Very low100 Ų100148.7 Ų148.770%0.69977%0.77SS**  trans52.6112.3147.256.80000121.4
421T31Very low34Very low136 Ų136152.5 Ų152.583%0.83478%0.779SS**  18103.4126.629.80000117.4
422E27.9Very low33.8Very low194 Ų194151.3 Ų151.391%0.90777%0.774SS**  trans-170.2138132.7-106.3166.6-168.500111.9
423S31.3Very low33.7Very low83 Ų83152 Ų15258%0.5878%0.777SS**  trans53.8113.3163.9-156.10000121.9M425S423-M425 VanDerWaalsContact C-N 3.28Å; S423-M425 PolarHBondContact O-N 3.03Å
424K37.9Very low34.6Very low216 Ų216152 Ų15294%0.93977%0.773SS**THydrogen-bonded Turntrans-74.94172.6-91.6-177.9175.2177.80115.3
425M33.5Very low35.3Very low154 Ų154152.5 Ų152.576%0.75977%0.769SS**THydrogen-bonded Turntrans-98-16.9-172.7-76.6-177.766.800115.6S423S423-M425 VanDerWaalsContact C-N 3.28Å; S423-M425 PolarHBondContact O-N 3.03Å
426D32.8Very low36.5Very low119 Ų119149.8 Ų149.864%0.63675%0.753SS**G310 helixtrans-93.3-2.4-174.7-65.9-39.6000114.8W428D426-W428 VanDerWaalsContact C-N 3.33Å; D426-W428 PolarHBondContact O-N 3.21Å
427A34.8Very low38.1Very low92 Ų92148.5 Ų148.576%0.7674%0.741SS**G310 helixtrans-76-14.4-179.200000114.4
428W36.6Very low40Very low226 Ų226145.1 Ų145.186%0.85672%0.724SS**G310 helixtrans-95.6-14.1-174.7-133.637.4000114.5D426D426-W428 VanDerWaalsContact C-N 3.33Å; D426-W428 PolarHBondContact O-N 3.21Å
429I38.6Very low42.1Very low149 Ų149139 Ų13976%0.76470%0.702SS**THydrogen-bonded Turntrans-98.1-13.4-172.6-58.5175.3000112.4K431I429-K431 PolarHBondContact O-N 3.24Å
430S36.3Very low44.2Very low92 Ų92135 Ų13564%0.64369%0.687SS**  trans-98.857.4175.6-176.10000112.7K432S430-K432 PolarHBondContact O-N 2.83Å
431K40.3Very low46.6Very low165 Ų165133.8 Ų133.872%0.71767%0.672SS**  trans-89.867.4158.1-78.2-174.1-179.4175.70108.8I429 H433I429-K431 PolarHBondContact O-N 3.24Å; K431-H433 PolarHBondContact O-N 2.98Å
432K38.8Very low49Very low181 Ų181132.7 Ų132.779%0.78766%0.656SS**  trans-60.6108.3157.1-86.4-176.4178.4176.10105.9S430 V434S430-K432 PolarHBondContact O-N 2.83Å; K432-V434 VanDerWaalsContact C-N 3.26Å; K432-V434 PolarHBondContact O-N 2.82Å
433H40.5Very low51.9Low177 Ų177125.4 Ų125.482%0.81962%0.622SS**  trans-57.294.3170.3-79.2-82.1000108.2K431 K435K431-H433 PolarHBondContact O-N 2.98Å; H433-K435 PolarHBondContact O-N 3.38Å
434V50.7Low54.8Low95 Ų95122 Ų12258%0.57660%0.597SS**  trans-61.2109.2168.2179.40000105.5K432 P436K432-V434 VanDerWaalsContact C-N 3.26Å; K432-V434 PolarHBondContact O-N 2.82Å; V434-P436 WeakPolarHBondContact O-CD 3.34Å
435K50.4Low57.5Low188 Ų188112.1 Ų112.182%0.81756%0.555SS**PPolyproline II helixtrans-59.9122.8175.6-80.1-176.2177.2-1800106.8H433 H437H433-K435 PolarHBondContact O-N 3.38Å; K435-H437 PolarHBondContact O-N 3.17Å
436P54.7Low60.5Low53 Ų53104.8 Ų104.834%0.34452%0.519SS..PPolyproline II helixtrans-60.8129.3-179.222.7-31.1000110.3K407 V434 F438K407-P436 HydrophobicContact CD-CB 4.02Å; K407-P436 HydrophobicContact CG-CB 3.7Å; V434-P436 WeakPolarHBondContact O-CD 3.34Å; P436-F438 HydrophobicContact CB-CE2 4.25Å; P436-F438 HydrophobicContact CG-CE2 3.98Å; P436-F438 HydrophobicContact CG-CZ 4.34Å
437H64.5Low63.6Low133 Ų13399.8 Ų99.862%0.61649%0.492SS*.EExtended strand (participates in β ladder)trans-85.4122.5172.4-149.768.3000107.9Q408 K435Q408-H437 PolarHBondContact N-O 2.86Å; K435-H437 PolarHBondContact O-N 3.17Å
438F70.8Confident66.5Low115 Ų11595.4 Ų95.450%0.50446%0.456SS..EExtended strand (participates in β ladder)trans-94.5120.8175.3-70-85000107.9Y405 E406 K407 P436Y405-F438 HydrophobicContact CD1-CB 4.42Å; E406-F438 WeakPolarHBondContact O-CA 3.47Å; K407-F438 HydrophobicContact CB-CD1 4.23Å; K407-F438 HydrophobicContact CB-CE1 3.92Å; K407-F438 HydrophobicContact CG-CE1 4.12Å; K407-F438 HydrophobicContact CG-CZ 4.39Å; P436-F438 HydrophobicContact CB-CE2 4.25Å; P436-F438 HydrophobicContact CG-CE2 3.98Å; P436-F438 HydrophobicContact CG-CZ 4.34Å
439V74Confident69.4Low55 Ų5589.9 Ų89.933%0.33344%0.435SS..EExtended strand (participates in β ladder)trans-98.1128.6174.3-175.70000107.6Y405 E406 Q408 N441Y405-V439 WeakPolarHBondContact CA-O 3.36Å; E406-V439 PolarHBondContact N-O 2.99Å; E406-V439 PolarHBondContact O-N 3.34Å; Q408-V439 HydrophobicContact CB-CG2 4.35Å; Q408-V439 HydrophobicContact CG-CG2 4.04Å; V439-N441 PolarHBondContact O-N 2.95Å
440E73.4Confident72.2Confident113 Ų11383 Ų8353%0.52840%0.4SS..EExtended strand (participates in β ladder)trans-65.8124.6172.7-169.6174.5-154.600108.6M403 G404 Y405M403-E440 HydrophobicContact CB-CG 4.49Å; M403-E440 WeakPolarHBondContact CG-OE1 3.39Å; M403-E440 VanDerWaalsContact SD-CD 3.58Å; M403-E440 HydrophobicContact SD-CG 3.64Å; G404-E440 WeakPolarHBondContact O-CA 3.36Å; Y405-E440 HydrophobicContact CE1-CB 4.39Å; Y405-E440 HydrophobicContact CE1-CG 4.44Å
441N80Confident75.1Confident74 Ų7482.4 Ų82.440%0.39639%0.389SS..EExtended strand (participates in β ladder)trans-123.3122.7179.1-168.90.6000108.9G404 E406 V439G404-N441 WeakPolarHBondContact CA-O 3.32Å; G404-N441 PolarHBondContact N-O 3.31Å; G404-N441 PolarHBondContact O-N 3.3Å; E406-N441 PolarHBondContact OE2-ND2 3.4Å; V439-N441 PolarHBondContact O-N 2.95Å
442K82.2Confident77.8Confident113 Ų11376.4 Ų76.449%0.49137%0.365SS..EExtended strand (participates in β ladder)trans-75.2127.8175.4-59.3-152.9-176.7-164.40109.3E401 M403E401-K442 HydrophobicContact CG-CD 4.23Å; E401-K442 WeakPolarHBondContact OE1-CD 3.28Å; E401-K442 IonicContact OE1-NZ 3.56Å; E401-K442 PolarHBondContact OE1-NZ 2.77Å; E401-K442 VanDerWaalsContact OE1-NZ 3.15Å; E401-K442 IonicContact OE2-NZ 3.77Å; E401-K442 PolarHBondContact OE2-NZ 2.72Å; M403-K442 HydrophobicContact CE-CD 3.7Å; M403-K442 HydrophobicContact CE-CG 3.65Å; M403-K442 HydrophobicContact SD-CG 3.97Å
443Q87.4Confident80.6Confident41 Ų4167.8 Ų67.819%0.19233%0.328CS..EExtended strand (participates in β ladder)trans-132.8138.3179.8-174.7172.4-3.800110.5E249 T402E249-Q443 HydrophobicContact CB-CG 4.26Å; T402-Q443 WeakPolarHBondContact CA-O 3.25Å; T402-Q443 PolarHBondContact N-O 3.18Å; T402-Q443 PolarHBondContact O-N 2.83Å; T402-Q443 PolarHBondContact OG1-O 3.35Å
444L92.8Very high83.2Confident11 Ų1159.7 Ų59.76%0.05829%0.291CS..EExtended strand (participates in β ladder)trans-86.9141.5173.5-68.2172.3000111.7E249 M286 L290 L293 L399 V400 E401E249-L444 HydrophobicContact CB-CB 4.5Å; E249-L444 PolarHBondContact N-O 3.21Å; M286-L444 HydrophobicContact CB-CD1 4.25Å; M286-L444 HydrophobicContact CE-CB 3.43Å; M286-L444 VanDerWaalsContact CE-CB 3.43Å; L290-L444 HydrophobicContact CD1-CD1 4.16Å; L290-L444 HydrophobicContact CD1-CD2 3.84Å; L290-L444 HydrophobicContact CD1-CG 4.38Å; L293-L444 HydrophobicContact CD1-CD2 4.15Å; L399-L444 HydrophobicContact CD1-CB 4.17Å; L399-L444 HydrophobicContact CD1-CD2 4.17Å; L399-L444 HydrophobicContact CG-CD2 4.28Å; V400-L444 WeakPolarHBondContact O-CA 3.37Å; E401-L444 HydrophobicContact CB-CD2 4.29Å
445S94.9Very high85.3Confident9 Ų955.2 Ų55.26%0.06326%0.264CS..EExtended strand (participates in β ladder)trans-126.7131.8166.665.30000110.7I247 L399 V400 N447I247-S445 CarbonylContact O-C 3.54Å; I247-S445 VanDerWaalsContact O-CA 3.25Å; I247-S445 WeakPolarHBondContact O-CA 3.3Å; L399-S445 CarbonylContact C-O 3.58Å; L399-S445 WeakPolarHBondContact CA-O 3.36Å; V400-S445 PolarHBondContact N-O 3.21Å; V400-S445 PolarHBondContact O-N 2.94Å; S445-N447 PolarHBondContact O-ND2 3.1Å; S445-N447 PolarHBondContact OG-ND2 3.4Å; S445-N447 VanDerWaalsContact OG-ND2 3.09Å
446L96.4Very high87.4Confident0 Ų046.3 Ų46.30%023%0.225CC..EExtended strand (participates in β ladder)trans-102.5114.6172-17569.4000108.3I247 I282 M286 W306 M315 V397 L399 F448I247-L446 HydrophobicContact CB-CB 4.34Å; I247-L446 PolarHBondContact N-O 2.81Å; I247-L446 PolarHBondContact O-N 2.89Å; I282-L446 HydrophobicContact CG2-CD2 3.85Å; M286-L446 HydrophobicContact CE-CB 4.41Å; M286-L446 HydrophobicContact CG-CB 4.27Å; M286-L446 HydrophobicContact SD-CB 4.08Å; W306-L446 HydrophobicContact CZ3-CD1 3.95Å; M315-L446 HydrophobicContact CE-CD2 4.18Å; V397-L446 HydrophobicContact CG1-CD1 3.48Å; V397-L446 VanDerWaalsContact CG1-CD1 3.48Å; V397-L446 HydrophobicContact CG1-CG 3.94Å; L399-L446 HydrophobicContact CB-CD1 4.3Å; L399-L446 HydrophobicContact CD1-CB 4.48Å; L399-L446 HydrophobicContact CD1-CD1 4.4Å; L446-F448 HydrophobicContact CD2-CE2 3.91Å; L446-F448 HydrophobicContact CD2-CZ 4.16Å; L446-F448 HydrophobicContact CG-CE2 4.06Å
447N96.9Very high89.4Confident13 Ų1343.8 Ų43.87%0.0721%0.209CC..EExtended strand (participates in β ladder)trans-112.5120.3-170.4-55.7-88.6000110T246 V397 V398 S445 W449T246-N447 WeakPolarHBondContact CB-OD1 3.41Å; T246-N447 WeakPolarHBondContact CG2-OD1 3.4Å; T246-N447 PolarHBondContact OG1-OD1 2.85Å; V397-N447 CarbonylContact C-O 3.57Å; V397-N447 VanDerWaalsContact CA-O 3.25Å; V397-N447 WeakPolarHBondContact CA-O 3.37Å; V398-N447 HydrophobicContact CB-CB 4.5Å; V398-N447 PolarHBondContact N-O 2.91Å; V398-N447 PolarHBondContact O-N 2.81Å; V398-N447 PolarHBondContact O-ND2 3.23Å; V398-N447 VanDerWaalsContact O-ND2 3.12Å; S445-N447 PolarHBondContact O-ND2 3.1Å; S445-N447 PolarHBondContact OG-ND2 3.4Å; S445-N447 VanDerWaalsContact OG-ND2 3.09Å; N447-W449 HydrophobicContact CB-CZ2 4.24Å
448F97.2Very high90.9Very high0 Ų039.1 Ų39.10%019%0.191CC..EExtended strand (participates in β ladder)trans-93.1105171.7-64.2-105.9000107.6S244 F245 I247 M315 V380 L381 M384 V397 L446S244-F448 CarbonylContact C-O 3.59Å; S244-F448 WeakPolarHBondContact CA-O 3.25Å; S244-F448 VanDerWaalsContact CB-O 3.23Å; S244-F448 WeakPolarHBondContact CB-O 3.43Å; F245-F448 PolarHBondContact N-O 3.48Å; F245-F448 PolarHBondContact O-N 2.78Å; I247-F448 HydrophobicContact CD1-CD2 4.37Å; I247-F448 HydrophobicContact CD1-CE2 3.57Å; I247-F448 HydrophobicContact CD1-CZ 4.36Å; I247-F448 HydrophobicContact CG1-CE2 4.2Å; M315-F448 HydrophobicContact CE-CE1 3.77Å; M315-F448 HydrophobicContact CE-CZ 3.44Å; M315-F448 VanDerWaalsContact CE-CZ 3.44Å; M315-F448 HydrophobicContact SD-CE1 4.45Å; V380-F448 HydrophobicContact CG1-CD1 4.41Å; V380-F448 HydrophobicContact CG1-CG 4.3Å; V380-F448 HydrophobicContact CG2-CB 3.72Å; V380-F448 HydrophobicContact CG2-CD1 4.32Å; V380-F448 HydrophobicContact CG2-CG 4.21Å; L381-F448 HydrophobicContact CD2-CE1 4.01Å; M384-F448 HydrophobicContact CE-CD1 4.45Å; M384-F448 HydrophobicContact SD-CD1 3.61Å; M384-F448 HydrophobicContact SD-CE1 4Å; V397-F448 HydrophobicContact CG2-CD1 3.51Å; V397-F448 HydrophobicContact CG2-CE1 3.88Å; V397-F448 HydrophobicContact CG2-CG 4.09Å; L446-F448 HydrophobicContact CD2-CE2 3.91Å; L446-F448 HydrophobicContact CD2-CZ 4.16Å; L446-F448 HydrophobicContact CG-CE2 4.06Å
449W97.5Very high91.9Very high111 Ų11136.8 Ų36.842%0.4218%0.182SC..EExtended strand (participates in β ladder)trans-101.8114.6179.6-64.8-19.1000109.9Y395 R396 V398 N447 L451Y395-W449 WeakPolarHBondContact CA-O 3.08Å; R396-W449 PolarHBondContact N-O 2.94Å; R396-W449 PolarHBondContact O-N 2.81Å; V398-W449 HydrophobicContact CB-CE3 4.47Å; V398-W449 HydrophobicContact CB-CH2 4.26Å; V398-W449 HydrophobicContact CB-CZ2 4.5Å; V398-W449 HydrophobicContact CB-CZ3 4.26Å; V398-W449 HydrophobicContact CG1-CH2 4.31Å; V398-W449 HydrophobicContact CG1-CZ3 4.5Å; V398-W449 HydrophobicContact CG2-CD2 4.1Å; V398-W449 HydrophobicContact CG2-CE3 3.57Å; V398-W449 HydrophobicContact CG2-CH2 4.08Å; V398-W449 HydrophobicContact CG2-CZ3 3.57Å; N447-W449 HydrophobicContact CB-CZ2 4.24Å; W449-L451 HydrophobicContact CB-CD2 4.28Å
450C97.2Very high92.8Very high3 Ų334.2 Ų34.22%0.0217%0.166CC..EExtended strand (participates in β ladder)trans-77.3120.8166.7-173.40000108.9R240 A243 S244 Y395 N452R240-C450 WeakPolarHBondContact CB-O 3.42Å; R240-C450 WeakPolarHBondContact CG-O 3.4Å; A243-C450 HydrophobicContact CB-CB 3.36Å; A243-C450 VanDerWaalsContact CB-SG 3.57Å; S244-C450 PolarHBondContact OG-N 2.82Å; Y395-C450 HydrophobicContact CD1-CB 4.23Å; Y395-C450 HydrophobicContact CE1-CB 3.64Å; C450-N452 PolarHBondContact SG-O 2.85Å
451L96.8Very high93.9Very high81 Ų8129.2 Ų29.242%0.42414%0.144SC..  trans-97.82.7-179.7-56.8-172.6000112.7R240 D394 R396 W449R240-L451 PolarHBondContact NH1-O 3.31Å; D394-L451 WeakPolarHBondContact O-CB 3.39Å; D394-L451 PolarHBondContact O-N 3.15Å; R396-L451 HydrophobicContact CB-CD1 4.35Å; R396-L451 HydrophobicContact CG-CD1 3.51Å; R396-L451 HydrophobicContact CG-CG 4.28Å; W449-L451 HydrophobicContact CB-CD2 4.28Å
452N96.6Very high94.7Very high39 Ų3930.2 Ų30.221%0.20916%0.157CC..  trans-132.4111.8-176.5-174.6-12.5000110.5D394 C450 S454 V455D394-N452 HydrophobicContact CB-CB 3.71Å; D394-N452 WeakPolarHBondContact OD1-CB 3.48Å; D394-N452 PolarHBondContact OD1-ND2 3.44Å; C450-N452 PolarHBondContact SG-O 2.85Å; N452-S454 PolarHBondContact ND2-OG 3.25Å; N452-S454 PolarHBondContact O-N 3.27Å; N452-S454 WeakPolarHBondContact OD1-CB 3.37Å; N452-S454 PolarHBondContact OD1-N 2.92Å; N452-S454 VanDerWaalsContact OD1-N 3.09Å; N452-S454 PolarHBondContact OD1-OG 3.03Å; N452-V455 HydrophobicContact CB-CG2 4.13Å; N452-V455 WeakPolarHBondContact O-CB 3.23Å; N452-V455 VanDerWaalsContact O-CG2 3.3Å; N452-V455 WeakPolarHBondContact O-CG2 3.3Å; N452-V455 PolarHBondContact O-N 3.45Å
453P96.7Very high95.2Very high0 Ų027.3 Ų27.30%015%0.145CC..THydrogen-bonded Turntrans-68.1-23.2-175.228.4-33.9000112.1E236 R240 V455 V456 F457 E483 L484E236-P453 HydrophobicContact CB-CB 4.41Å; E236-P453 HydrophobicContact CB-CG 4.25Å; E236-P453 HydrophobicContact CG-CG 4.41Å; R240-P453 HydrophobicContact CG-CB 4.17Å; R240-P453 VanDerWaalsContact CZ-CD 3.48Å; R240-P453 VanDerWaalsContact NH1-CD 3.31Å; P453-V455 PolarHBondContact O-N 2.99Å; P453-V455 VanDerWaalsContact O-N 3.15Å; P453-V456 PolarHBondContact O-N 3.36Å; P453-F457 WeakPolarHBondContact O-CB 3.27Å; P453-F457 PolarHBondContact O-N 3.36Å; P453-E483 HydrophobicContact CG-CB 4.2Å; P453-E483 WeakPolarHBondContact CG-O 3.25Å; P453-L484 HydrophobicContact CB-CD2 4.04Å; P453-L484 HydrophobicContact CG-CD2 4.15Å
454S96.4Very high95.6Very high7 Ų726 Ų265%0.04914%0.142CC..Hα-helixtrans-60-24.4177.870.40000113.5N452 V456 S458 L484 N485N452-S454 PolarHBondContact ND2-OG 3.25Å; N452-S454 PolarHBondContact O-N 3.27Å; N452-S454 WeakPolarHBondContact OD1-CB 3.37Å; N452-S454 PolarHBondContact OD1-N 2.92Å; N452-S454 VanDerWaalsContact OD1-N 3.09Å; N452-S454 PolarHBondContact OD1-OG 3.03Å; S454-V456 PolarHBondContact O-N 3.36Å; S454-S458 VanDerWaalsContact O-CB 3.27Å; S454-S458 WeakPolarHBondContact O-CB 3.35Å; S454-S458 PolarHBondContact O-N 3.35Å; S454-S458 VanDerWaalsContact O-N 3.14Å; S454-S458 PolarHBondContact O-OG 2.9Å; S454-L484 WeakPolarHBondContact CA-O 3.37Å; S454-L484 VanDerWaalsContact CB-O 3.28Å; S454-L484 WeakPolarHBondContact CB-O 3.43Å; S454-N485 VanDerWaalsContact CB-CB 3.45Å
455V94.8Very high95.8Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-54.1-37.6177.6175.90000111.3Y383 R386 H391 D394 N452 P453Y383-V455 HydrophobicContact CD1-CG1 3.42Å; Y383-V455 VanDerWaalsContact CD1-CG1 3.42Å; Y383-V455 HydrophobicContact CE1-CG1 4.02Å; Y383-V455 WeakPolarHBondContact CE1-O 3.31Å; Y383-V455 HydrophobicContact CG-CG1 3.92Å; R386-V455 PolarHBondContact NH2-O 3.21Å; H391-V455 HydrophobicContact CB-CG2 4.33Å; D394-V455 HydrophobicContact CB-CG2 4.01Å; N452-V455 HydrophobicContact CB-CG2 4.13Å; N452-V455 WeakPolarHBondContact O-CB 3.23Å; N452-V455 VanDerWaalsContact O-CG2 3.3Å; N452-V455 WeakPolarHBondContact O-CG2 3.3Å; N452-V455 PolarHBondContact O-N 3.45Å; P453-V455 PolarHBondContact O-N 2.99Å; P453-V455 VanDerWaalsContact O-N 3.15Å
456V94.5Very high95.8Very high1 Ų126 Ų261%0.00614%0.14CC..Hα-helixtrans-101.4-48.1177.51720000111.1L210 A243 Y383 P453 S454 S458 Q459 L460L210-V456 HydrophobicContact CB-CG1 4.12Å; L210-V456 HydrophobicContact CD2-CG1 4.06Å; L210-V456 WeakPolarHBondContact O-CG1 3.39Å; A243-V456 HydrophobicContact CB-CG2 3.63Å; Y383-V456 HydrophobicContact CE1-CG2 4.13Å; Y383-V456 HydrophobicContact CE2-CG2 4.15Å; P453-V456 PolarHBondContact O-N 3.36Å; S454-V456 PolarHBondContact O-N 3.36Å; V456-S458 PolarHBondContact O-N 2.97Å; V456-Q459 PolarHBondContact O-N 2.73Å; V456-L460 PolarHBondContact O-N 3Å; V456-L460 VanDerWaalsContact O-N 3.16Å
457F96.4Very high95.9Very high1 Ų126 Ų260%0.00414%0.141CC..Hα-helixtrans-69.1-39.6-166.4-168.4-88.9000112.7L210 L229 I235 P453 Q459 L460 A461 V467 L469 L484 V486 F488L210-F457 HydrophobicContact CD2-CD2 4Å; L229-F457 HydrophobicContact CD1-CE2 3.73Å; L229-F457 HydrophobicContact CD1-CZ 4.22Å; I235-F457 HydrophobicContact CD1-CD2 4.24Å; I235-F457 HydrophobicContact CD1-CE2 3.98Å; I235-F457 HydrophobicContact CG1-CD2 3.85Å; I235-F457 HydrophobicContact CG1-CE2 3.54Å; I235-F457 HydrophobicContact CG1-CZ 4.48Å; P453-F457 WeakPolarHBondContact O-CB 3.27Å; P453-F457 PolarHBondContact O-N 3.36Å; F457-Q459 VanDerWaalsContact C-N 3.28Å; F457-Q459 PolarHBondContact O-N 2.95Å; F457-L460 PolarHBondContact O-N 2.89Å; F457-L460 VanDerWaalsContact O-N 3.16Å; F457-A461 HydrophobicContact CE1-CB 4.29Å; F457-A461 WeakPolarHBondContact O-CB 3.36Å; F457-A461 PolarHBondContact O-N 3.43Å; F457-V467 HydrophobicContact CZ-CG1 3.95Å; F457-L469 HydrophobicContact CE2-CD2 4.41Å; F457-L469 HydrophobicContact CZ-CD1 4.3Å; F457-L469 HydrophobicContact CZ-CD2 4.04Å; F457-L484 HydrophobicContact CB-CD2 4.05Å; F457-L484 HydrophobicContact CD1-CB 3.8Å; F457-L484 HydrophobicContact CD1-CD1 4.04Å; F457-L484 HydrophobicContact CD1-CD2 3.95Å; F457-L484 HydrophobicContact CD1-CG 4.14Å; F457-L484 HydrophobicContact CD2-CD2 4.22Å; F457-L484 HydrophobicContact CE1-CB 4.2Å; F457-L484 HydrophobicContact CE1-CD1 3.79Å; F457-L484 HydrophobicContact CE1-CD2 4.49Å; F457-L484 HydrophobicContact CE1-CG 4.39Å; F457-L484 HydrophobicContact CG-CB 4.47Å; F457-L484 HydrophobicContact CG-CD2 3.8Å; F457-L484 HydrophobicContact CG-CG 4.49Å; F457-L484 HydrophobicContact CZ-CD1 4.06Å; F457-V486 HydrophobicContact CD1-CB 4.38Å; F457-V486 HydrophobicContact CD1-CG2 3.73Å; F457-V486 HydrophobicContact CE1-CB 4.24Å; F457-V486 HydrophobicContact CE1-CG1 4.45Å; F457-V486 HydrophobicContact CE1-CG2 3.98Å; F457-F488 HydrophobicContact CE1-CZ 4.1Å; F457-F488 HydrophobicContact CZ-CZ 4.41Å
458S95.1Very high96Very high34 Ų3425.4 Ų25.424%0.23814%0.137CC..Hα-helixtrans-62.3-37.9179.968.90000112.1S454 V456 A461 S462S454-S458 VanDerWaalsContact O-CB 3.27Å; S454-S458 WeakPolarHBondContact O-CB 3.35Å; S454-S458 PolarHBondContact O-N 3.35Å; S454-S458 VanDerWaalsContact O-N 3.14Å; S454-S458 PolarHBondContact O-OG 2.9Å; V456-S458 PolarHBondContact O-N 2.97Å; S458-A461 PolarHBondContact O-N 3.35Å; S458-S462 WeakPolarHBondContact O-CB 3.38Å; S458-S462 PolarHBondContact O-N 3.31Å; S458-S462 PolarHBondContact O-OG 3.03Å
459Q92.2Very high96Very high67 Ų6725.4 Ų25.431%0.31314%0.137SC..Hα-helixtrans-67.9-41.7175.4-171.6-175.92.300111.5V456 F457 S462 M463V456-Q459 PolarHBondContact O-N 2.73Å; F457-Q459 VanDerWaalsContact C-N 3.28Å; F457-Q459 PolarHBondContact O-N 2.95Å; Q459-S462 PolarHBondContact O-OG 3.14Å; Q459-M463 HydrophobicContact CG-CE 4.33Å; Q459-M463 VanDerWaalsContact O-CE 3.27Å; Q459-M463 WeakPolarHBondContact O-CE 3.4Å; Q459-M463 WeakPolarHBondContact O-CG 3.45Å
460L94.2Very high95.9Very high1 Ų120.1 Ų20.11%0.00512%0.117CC..Hα-helixtrans-61.8-46.4175.8179.564.3000111L209 L210 V222 I227 V456 F457 S462 M463 A464L209-L460 HydrophobicContact CB-CD1 4.4Å; L209-L460 HydrophobicContact CB-CD2 4.04Å; L210-L460 HydrophobicContact CD2-CD2 3.77Å; V222-L460 HydrophobicContact CB-CD1 4.19Å; V222-L460 HydrophobicContact CG1-CD1 4.04Å; V222-L460 HydrophobicContact CG2-CD1 4.12Å; I227-L460 HydrophobicContact CD1-CD1 3.68Å; I227-L460 HydrophobicContact CD1-CD2 4.2Å; I227-L460 HydrophobicContact CD1-CG 3.81Å; V456-L460 PolarHBondContact O-N 3Å; V456-L460 VanDerWaalsContact O-N 3.16Å; F457-L460 PolarHBondContact O-N 2.89Å; F457-L460 VanDerWaalsContact O-N 3.16Å; L460-S462 VanDerWaalsContact C-N 3.35Å; L460-S462 PolarHBondContact O-N 3.42Å; L460-M463 HydrophobicContact CD1-CE 4.46Å; L460-M463 PolarHBondContact O-N 3.27Å; L460-A464 PolarHBondContact O-N 2.91Å
461A96.4Very high95.8Very high8 Ų820 Ų207%0.06612%0.116CC..Hα-helixtrans-66.2-34.2-178.300000113F457 S458 M463 A464 V467 V486F457-A461 HydrophobicContact CE1-CB 4.29Å; F457-A461 WeakPolarHBondContact O-CB 3.36Å; F457-A461 PolarHBondContact O-N 3.43Å; S458-A461 PolarHBondContact O-N 3.35Å; A461-M463 VanDerWaalsContact C-N 3.27Å; A461-M463 PolarHBondContact O-N 3.01Å; A461-A464 PolarHBondContact O-N 3.28Å; A461-V467 HydrophobicContact CB-CG2 3.94Å; A461-V486 HydrophobicContact CB-CB 4.42Å; A461-V486 HydrophobicContact CB-CG1 3.82Å; A461-V486 HydrophobicContact CB-CG2 3.64Å
462S95.4Very high95.4Very high95 Ų9516.9 Ų16.966%0.66410%0.104SC*.Hα-helixtrans-70.7-21.1179.469.30000113.9S458 Q459 L460S458-S462 WeakPolarHBondContact O-CB 3.38Å; S458-S462 PolarHBondContact O-N 3.31Å; S458-S462 PolarHBondContact O-OG 3.03Å; Q459-S462 PolarHBondContact O-OG 3.14Å; L460-S462 VanDerWaalsContact C-N 3.35Å; L460-S462 PolarHBondContact O-N 3.42Å
463M94.2Very high95Very high51 Ų5119.6 Ų19.625%0.25112%0.122SC..Hα-helixtrans-87.8-30.5176.4-62.8-178.6-68.900112.5V222 T223 D224 Q459 L460 A461V222-M463 HydrophobicContact CG2-CB 4.12Å; V222-M463 HydrophobicContact CG2-CE 3.57Å; V222-M463 HydrophobicContact CG2-SD 4.05Å; T223-M463 CarbonylContact C-O 3.55Å; T223-M463 VanDerWaalsContact CA-O 3.23Å; T223-M463 WeakPolarHBondContact CA-O 3.25Å; D224-M463 PolarHBondContact N-O 3.16Å; Q459-M463 HydrophobicContact CG-CE 4.33Å; Q459-M463 VanDerWaalsContact O-CE 3.27Å; Q459-M463 WeakPolarHBondContact O-CE 3.4Å; Q459-M463 WeakPolarHBondContact O-CG 3.45Å; L460-M463 HydrophobicContact CD1-CE 4.46Å; L460-M463 PolarHBondContact O-N 3.27Å; A461-M463 VanDerWaalsContact C-N 3.27Å; A461-M463 PolarHBondContact O-N 3.01Å
464A95.7Very high94.5Very high14 Ų1420 Ų2012%0.11612%0.124CC..SBendtrans-70.5153-173.800000112.6I227 L460 A461 C466 V467I227-A464 HydrophobicContact CD1-CB 3.77Å; I227-A464 HydrophobicContact CG1-CB 4.12Å; L460-A464 PolarHBondContact O-N 2.91Å; A461-A464 PolarHBondContact O-N 3.28Å; A464-C466 VanDerWaalsContact C-N 3.3Å; A464-V467 HydrophobicContact CB-CG2 3.92Å
465H95.4Very high94Very high20 Ų2022.3 Ų22.39%0.09314%0.14CC..SBendtrans-63.4-40.7168.3176103.5000111L34 K37 H225L34-H465 PolarHBondContact O-NE2 3.14Å; K37-H465 CarbonylContact C-O 3.54Å; K37-H465 WeakPolarHBondContact CA-O 3.42Å; K37-H465 WeakPolarHBondContact CE-ND1 3.17Å; K37-H465 VanDerWaalsContact CG-CE1 3.43Å; K37-H465 WeakPolarHBondContact CG-CE1 3.31Å; H225-H465 PolarHBondContact O-N 2.88Å
466C96.8Very high93.8Very high0 Ų026.8 Ų26.80%017%0.169CC..EExtended strand (participates in β ladder)trans-164.1153.4166.264.70000109.9Q38 I227 A464Q38-C466 WeakPolarHBondContact O-CB 3.46Å; I227-C466 PolarHBondContact N-O 3.01Å; A464-C466 VanDerWaalsContact C-N 3.3Å
467V98.1Very high93.6Very high1 Ų127.1 Ų27.11%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-110.6125.9169.1-174.40000109.8N39 C40 I227 L229 F457 A461 A464 L469N39-V467 CarbonylContact C-O 3.55Å; N39-V467 VanDerWaalsContact CA-O 3.26Å; N39-V467 WeakPolarHBondContact CA-O 3.23Å; N39-V467 WeakPolarHBondContact CB-O 3.39Å; N39-V467 PolarHBondContact OD1-N 3.49Å; C40-V467 PolarHBondContact N-O 2.94Å; I227-V467 HydrophobicContact CB-CG2 4.33Å; I227-V467 HydrophobicContact CG2-CG1 4.4Å; I227-V467 CarbonylContact O-C 3.6Å; I227-V467 WeakPolarHBondContact O-CA 3.5Å; L229-V467 HydrophobicContact CD1-CG1 4.05Å; F457-V467 HydrophobicContact CZ-CG1 3.95Å; A461-V467 HydrophobicContact CB-CG2 3.94Å; A464-V467 HydrophobicContact CB-CG2 3.92Å; V467-L469 HydrophobicContact CG1-CD2 4.06Å; V467-L469 HydrophobicContact CG1-CG 4.46Å
468I98.2Very high93.5Very high0 Ų032.4 Ų32.40%020%0.199CC..EExtended strand (participates in β ladder)trans-110.1112.7175.4-54.8179.7000108.2V30 S33 L34 C40 L42 L54 I227 I228 L229V30-I468 HydrophobicContact CB-CD1 4.47Å; V30-I468 HydrophobicContact CG1-CD1 3.89Å; V30-I468 HydrophobicContact CG2-CD1 4.4Å; S33-I468 WeakPolarHBondContact OG-CD1 3.44Å; L34-I468 HydrophobicContact CD2-CD1 4.43Å; C40-I468 HydrophobicContact CB-CG1 4.3Å; C40-I468 HydrophobicContact CB-CG2 4.44Å; C40-I468 CarbonylContact O-C 3.47Å; C40-I468 WeakPolarHBondContact O-CA 3.42Å; L42-I468 HydrophobicContact CD1-CG2 3.66Å; L42-I468 HydrophobicContact CG-CG2 4.35Å; L54-I468 HydrophobicContact CD2-CG2 3.98Å; I227-I468 PolarHBondContact O-N 3.38Å; I228-I468 HydrophobicContact CG1-CB 4.39Å; I228-I468 HydrophobicContact CG1-CD1 4.37Å; L229-I468 PolarHBondContact N-O 3.49Å
469L97.6Very high93.4Very high0 Ų033.7 Ų33.70%021%0.208CC..EExtended strand (participates in β ladder)trans-94.9130.2172.5-62.4-172.2000109.9C40 L42 L229 A232 F457 V467 L474 L480 L484 F488C40-L469 PolarHBondContact O-N 2.93Å; L42-L469 PolarHBondContact N-O 2.89Å; L229-L469 HydrophobicContact CB-CD2 3.67Å; L229-L469 HydrophobicContact CD1-CD2 3.3Å; L229-L469 HydrophobicContact CG-CD2 4.01Å; A232-L469 HydrophobicContact CB-CB 4.35Å; A232-L469 HydrophobicContact CB-CD2 4.06Å; F457-L469 HydrophobicContact CE2-CD2 4.41Å; F457-L469 HydrophobicContact CZ-CD1 4.3Å; F457-L469 HydrophobicContact CZ-CD2 4.04Å; V467-L469 HydrophobicContact CG1-CD2 4.06Å; V467-L469 HydrophobicContact CG1-CG 4.46Å; L469-L474 HydrophobicContact CB-CD1 4.28Å; L469-L480 HydrophobicContact CD1-CD2 4.26Å; L469-L484 HydrophobicContact CD1-CD1 3.7Å; L469-F488 HydrophobicContact CD1-CE1 3.83Å; L469-F488 HydrophobicContact CD1-CE2 4.12Å; L469-F488 HydrophobicContact CD1-CZ 3.43Å; L469-F488 VanDerWaalsContact CD1-CZ 3.43Å; L469-F488 HydrophobicContact CG-CE1 3.8Å; L469-F488 HydrophobicContact CG-CZ 3.89Å
470M95.4Very high93.5Very high0 Ų031 Ų310%020%0.195CC..EExtended strand (participates in β ladder)trans-137.7124.5-179.2-168.4-85.3122.500110.5L42 K50 L54 L229 D230 E231 A232L42-M470 HydrophobicContact CB-CB 4.3Å; L42-M470 HydrophobicContact CB-CG 4.05Å; L42-M470 VanDerWaalsContact O-CA 3.31Å; L42-M470 WeakPolarHBondContact O-CA 3.49Å; K50-M470 HydrophobicContact CB-CE 3.5Å; K50-M470 VanDerWaalsContact CB-CE 3.5Å; K50-M470 HydrophobicContact CB-SD 3.53Å; K50-M470 VanDerWaalsContact CB-SD 3.53Å; K50-M470 HydrophobicContact CD-CE 3.16Å; K50-M470 HydrophobicContact CD-SD 4.21Å; K50-M470 HydrophobicContact CG-CE 3.62Å; K50-M470 HydrophobicContact CG-SD 4.32Å; L54-M470 HydrophobicContact CD1-CB 3.83Å; L54-M470 HydrophobicContact CD1-CG 3.67Å; L54-M470 HydrophobicContact CD1-SD 3.95Å; L54-M470 HydrophobicContact CD2-CB 4.39Å; L54-M470 HydrophobicContact CD2-CG 4.32Å; L54-M470 HydrophobicContact CG-CG 4.23Å; L229-M470 PolarHBondContact O-N 3.25Å; D230-M470 CarbonylContact C-O 3.53Å; E231-M470 WeakPolarHBondContact CA-O 3.49Å; E231-M470 PolarHBondContact N-O 3.28Å; A232-M470 PolarHBondContact N-O 3.31Å
471S94Very high93.6Very high0 Ų031.9 Ų31.90%020%0.2CC..EExtended strand (participates in β ladder)trans-152.9168.8171.3-165.60000111.7L42 E43 S44 H233 T473L42-S471 PolarHBondContact O-N 3.12Å; E43-S471 WeakPolarHBondContact CA-O 3.38Å; S44-S471 PolarHBondContact N-O 3.31Å; H233-S471 WeakPolarHBondContact CB-OG 3.37Å; H233-S471 PolarHBondContact ND1-OG 3.32Å; S471-T473 VanDerWaalsContact C-N 3.31Å
472G89.2Confident93.5Very high15 Ų1534.9 Ų34.916%0.15523%0.225CC..SBendtrans-77.8-14.2170.300000115.2S44S44-G472 WeakPolarHBondContact O-CA 3.33Å
473T87.6Confident93.5Very high96 Ų9633.8 Ų33.859%0.58921%0.209SC*.  trans-148.859.6-170.657.90000109.9S471S471-T473 VanDerWaalsContact C-N 3.31Å
474L87.7Confident93.7Very high9 Ų931.3 Ų31.35%0.04720%0.197CC..  trans-82.4-23.4176.1-69.6179.3000111.9L41 L42 E43 A232 L469 L477 L480L41-L474 HydrophobicContact CD2-CB 3.97Å; L41-L474 HydrophobicContact CD2-CD1 3.32Å; L41-L474 HydrophobicContact CD2-CG 4.24Å; L41-L474 HydrophobicContact CG-CD1 3.88Å; L42-L474 WeakPolarHBondContact O-CD1 3.39Å; E43-L474 HydrophobicContact CB-CB 4.49Å; E43-L474 PolarHBondContact OE2-N 2.9Å; E43-L474 VanDerWaalsContact OE2-N 3.16Å; A232-L474 HydrophobicContact CB-CD2 4.24Å; L469-L474 HydrophobicContact CB-CD1 4.28Å; L474-L477 HydrophobicContact CB-CD2 3.6Å; L474-L480 HydrophobicContact CB-CD2 4.16Å; L474-L480 HydrophobicContact CD2-CD2 3.84Å; L474-L480 HydrophobicContact CG-CD2 4.41Å
475S84.3Confident93.7Very high55 Ų5536.2 Ų36.239%0.38522%0.221SC..  trans-65.1141.4-176.2-71.10000112.6E43E43-S475 WeakPolarHBondContact OE2-CA 3.37Å; E43-S475 WeakPolarHBondContact OE2-CB 3.49Å; E43-S475 PolarHBondContact OE2-N 3.08Å; E43-S475 PolarHBondContact OE2-OG 2.82Å
476P91Very high93.8Very high94 Ų9435.8 Ų35.861%0.6122%0.22SC*.SBendcis-79.5122.67.427.4-30.4000114.4D478 S479 L480P476-D478 PolarHBondContact O-N 3.33Å; P476-S479 WeakPolarHBondContact O-CB 3.49Å; P476-S479 PolarHBondContact O-N 2.9Å; P476-S479 VanDerWaalsContact O-N 3.13Å; P476-L480 PolarHBondContact O-N 2.92Å; P476-L480 VanDerWaalsContact O-N 3.16Å
477L91.4Very high93.8Very high9 Ų942.2 Ų42.25%0.04725%0.25CS..Hα-helixtrans-62.8-38.6-172.7-58.1-167000113.7L41 L474 S479 L480 E481 E493L41-L477 HydrophobicContact CD1-CB 4.19Å; L41-L477 HydrophobicContact CD1-CD2 4Å; L41-L477 HydrophobicContact CD1-CG 4.48Å; L41-L477 HydrophobicContact CD2-CD1 3.74Å; L41-L477 HydrophobicContact CD2-CD2 3.2Å; L41-L477 HydrophobicContact CD2-CG 4Å; L41-L477 HydrophobicContact CG-CD2 4.24Å; L474-L477 HydrophobicContact CB-CD2 3.6Å; L477-S479 VanDerWaalsContact C-N 3.28Å; L477-S479 PolarHBondContact O-N 3.22Å; L477-L480 PolarHBondContact O-N 2.82Å; L477-E481 WeakPolarHBondContact O-CB 3.41Å; L477-E481 PolarHBondContact O-N 3.47Å; L477-E493 HydrophobicContact CD1-CG 3.69Å; L477-E493 VanDerWaalsContact CD1-OE1 3.23Å; L477-E493 WeakPolarHBondContact CD1-OE1 3.32Å; L477-E493 HydrophobicContact CG-CG 4.44Å
478D93.2Very high93.7Very high112 Ų11242.2 Ų42.260%0.59925%0.25SS*.Hα-helixtrans-65.7-34.1178.5-66.3-41.1000111.9P476 A482 R491P476-D478 PolarHBondContact O-N 3.33Å; D478-A482 WeakPolarHBondContact O-CB 3.48Å; D478-A482 PolarHBondContact O-N 2.99Å; D478-R491 IonicContact OD1-CZ 3.85Å; D478-R491 IonicContact OD1-NH1 2.65Å; D478-R491 PolarHBondContact OD1-NH1 3.29Å; D478-R491 IonicContact OD1-NH2 3.06Å
479S93.8Very high93.6Very high60 Ų6045.8 Ų45.842%0.4227%0.273SS..Hα-helixtrans-68.1-45.2175-166.10000110.8P476 L477 E481 A482 E483P476-S479 WeakPolarHBondContact O-CB 3.49Å; P476-S479 PolarHBondContact O-N 2.9Å; P476-S479 VanDerWaalsContact O-N 3.13Å; L477-S479 VanDerWaalsContact C-N 3.28Å; L477-S479 PolarHBondContact O-N 3.22Å; S479-E481 PolarHBondContact O-N 3.31Å; S479-A482 PolarHBondContact O-N 3.4Å; S479-E483 WeakPolarHBondContact O-CB 3.5Å; S479-E483 WeakPolarHBondContact O-CG 3.12Å; S479-E483 PolarHBondContact O-N 2.82Å
480L94.4Very high93.6Very high10 Ų1046.5 Ų46.55%0.05228%0.277CS..Hα-helixtrans-61.8-44.2178.5-178.863.5000111.3L41 I235 E236 L469 L474 P476 L477 A482 E483 L484L41-L480 HydrophobicContact CD1-CD2 4.12Å; I235-L480 HydrophobicContact CG2-CD1 4.02Å; E236-L480 HydrophobicContact CG-CD1 3.63Å; L469-L480 HydrophobicContact CD1-CD2 4.26Å; L474-L480 HydrophobicContact CB-CD2 4.16Å; L474-L480 HydrophobicContact CD2-CD2 3.84Å; L474-L480 HydrophobicContact CG-CD2 4.41Å; P476-L480 PolarHBondContact O-N 2.92Å; P476-L480 VanDerWaalsContact O-N 3.16Å; L477-L480 PolarHBondContact O-N 2.82Å; L480-A482 VanDerWaalsContact C-N 3.34Å; L480-A482 PolarHBondContact O-N 2.89Å; L480-E483 PolarHBondContact O-N 3.24Å; L480-L484 HydrophobicContact CD1-CD1 3.8Å; L480-L484 HydrophobicContact CD1-CG 4.08Å; L480-L484 HydrophobicContact CG-CD1 3.98Å; L480-L484 WeakPolarHBondContact O-CB 3.47Å; L480-L484 VanDerWaalsContact O-CG 3.26Å; L480-L484 WeakPolarHBondContact O-CG 3.49Å; L480-L484 PolarHBondContact O-N 3.15Å
481E95.3Very high93.6Very high20 Ų2050.1 Ų50.19%0.09329%0.291CS..Hα-helixtrans-60.4-42.8175167.9158.8142.900112.1L477 S479 N485 V486 Q487 F488 R491L477-E481 WeakPolarHBondContact O-CB 3.41Å; L477-E481 PolarHBondContact O-N 3.47Å; S479-E481 PolarHBondContact O-N 3.31Å; E481-N485 PolarHBondContact O-N 3.3Å; E481-V486 WeakPolarHBondContact CG-O 3.25Å; E481-V486 PolarHBondContact O-N 3.19Å; E481-Q487 PolarHBondContact OE1-NE2 2.67Å; E481-Q487 PolarHBondContact OE1-OE1 2.75Å; E481-F488 HydrophobicContact CB-CD2 4.29Å; E481-F488 HydrophobicContact CG-CD2 4.47Å; E481-F488 PolarHBondContact OE2-N 2.78Å; E481-R491 IonicContact OE1-NH2 3.54Å; E481-R491 PolarHBondContact OE1-NH2 3Å; E481-R491 IonicContact OE2-CZ 2.79Å; E481-R491 IonicContact OE2-NE 2.77Å; E481-R491 IonicContact OE2-NH2 2.97Å; E481-R491 PolarHBondContact OE2-NH2 3.49Å
482A95.5Very high93.5Very high72 Ų7251.4 Ų51.460%0.59530%0.297SS*.Hα-helixtrans-66.3-45.2178.400000112.7D478 S479 L480 N485D478-A482 WeakPolarHBondContact O-CB 3.48Å; D478-A482 PolarHBondContact O-N 2.99Å; S479-A482 PolarHBondContact O-N 3.4Å; L480-A482 VanDerWaalsContact C-N 3.34Å; L480-A482 PolarHBondContact O-N 2.89Å; A482-N485 PolarHBondContact O-N 3.45Å
483E95.7Very high93.6Very high71 Ų7156.3 Ų56.333%0.33232%0.316SS..Hα-helixtrans-64-42.8179.1-75.1-74.7138.200111.8E236 R240 P453 S479 L480 N485E236-E483 VanDerWaalsContact OE1-CB 3.25Å; E236-E483 WeakPolarHBondContact OE1-CB 3.44Å; E236-E483 WeakPolarHBondContact OE1-CG 3.39Å; R240-E483 IonicContact CZ-OE2 3.71Å; R240-E483 IonicContact NH1-OE2 2.78Å; R240-E483 PolarHBondContact NH1-OE2 2.83Å; R240-E483 IonicContact NH2-OE2 3.74Å; R240-E483 PolarHBondContact NH2-OE2 3.09Å; P453-E483 HydrophobicContact CG-CB 4.2Å; P453-E483 WeakPolarHBondContact CG-O 3.25Å; S479-E483 WeakPolarHBondContact O-CB 3.5Å; S479-E483 WeakPolarHBondContact O-CG 3.12Å; S479-E483 PolarHBondContact O-N 2.82Å; L480-E483 PolarHBondContact O-N 3.24Å; E483-N485 VanDerWaalsContact C-N 3.26Å; E483-N485 PolarHBondContact O-N 2.97Å
484L96.6Very high93.4Very high0 Ų052.6 Ų52.60%030%0.295CS..Hα-helixtrans-74.2-18178.4-64.2179.9000113I235 E236 P453 S454 F457 L469 L480 V486 F488I235-L484 HydrophobicContact CG2-CD1 4.09Å; I235-L484 HydrophobicContact CG2-CD2 4.33Å; E236-L484 HydrophobicContact CG-CD2 4.22Å; P453-L484 HydrophobicContact CB-CD2 4.04Å; P453-L484 HydrophobicContact CG-CD2 4.15Å; S454-L484 WeakPolarHBondContact CA-O 3.37Å; S454-L484 VanDerWaalsContact CB-O 3.28Å; S454-L484 WeakPolarHBondContact CB-O 3.43Å; F457-L484 HydrophobicContact CB-CD2 4.05Å; F457-L484 HydrophobicContact CD1-CB 3.8Å; F457-L484 HydrophobicContact CD1-CD1 4.04Å; F457-L484 HydrophobicContact CD1-CD2 3.95Å; F457-L484 HydrophobicContact CD1-CG 4.14Å; F457-L484 HydrophobicContact CD2-CD2 4.22Å; F457-L484 HydrophobicContact CE1-CB 4.2Å; F457-L484 HydrophobicContact CE1-CD1 3.79Å; F457-L484 HydrophobicContact CE1-CD2 4.49Å; F457-L484 HydrophobicContact CE1-CG 4.39Å; F457-L484 HydrophobicContact CG-CB 4.47Å; F457-L484 HydrophobicContact CG-CD2 3.8Å; F457-L484 HydrophobicContact CG-CG 4.49Å; F457-L484 HydrophobicContact CZ-CD1 4.06Å; L469-L484 HydrophobicContact CD1-CD1 3.7Å; L480-L484 HydrophobicContact CD1-CD1 3.8Å; L480-L484 HydrophobicContact CD1-CG 4.08Å; L480-L484 HydrophobicContact CG-CD1 3.98Å; L480-L484 WeakPolarHBondContact O-CB 3.47Å; L480-L484 VanDerWaalsContact O-CG 3.26Å; L480-L484 WeakPolarHBondContact O-CG 3.49Å; L480-L484 PolarHBondContact O-N 3.15Å; L484-V486 VanDerWaalsContact C-N 3.27Å; L484-V486 PolarHBondContact O-N 2.92Å; L484-F488 HydrophobicContact CD1-CE2 4.29Å; L484-F488 HydrophobicContact CD1-CZ 4.41Å
485N96.5Very high92.7Very high116 Ų11659.4 Ų59.462%0.6233%0.331SS*.THydrogen-bonded Turntrans51.745-173.1-165.629.1000112.2S454 E481 A482 E483S454-N485 VanDerWaalsContact CB-CB 3.45Å; E481-N485 PolarHBondContact O-N 3.3Å; A482-N485 PolarHBondContact O-N 3.45Å; E483-N485 VanDerWaalsContact C-N 3.26Å; E483-N485 PolarHBondContact O-N 2.97Å
486V96.9Very high92Very high11 Ų1162.2 Ų62.27%0.06734%0.339CS..  trans-136.9126.7-179.4172.10000109.2N39 F457 A461 E481 L484 F488N39-V486 VanDerWaalsContact ND2-CG1 3.3Å; N39-V486 WeakPolarHBondContact ND2-CG1 3.47Å; F457-V486 HydrophobicContact CD1-CB 4.38Å; F457-V486 HydrophobicContact CD1-CG2 3.73Å; F457-V486 HydrophobicContact CE1-CB 4.24Å; F457-V486 HydrophobicContact CE1-CG1 4.45Å; F457-V486 HydrophobicContact CE1-CG2 3.98Å; A461-V486 HydrophobicContact CB-CB 4.42Å; A461-V486 HydrophobicContact CB-CG1 3.82Å; A461-V486 HydrophobicContact CB-CG2 3.64Å; E481-V486 WeakPolarHBondContact CG-O 3.25Å; E481-V486 PolarHBondContact O-N 3.19Å; L484-V486 VanDerWaalsContact C-N 3.27Å; L484-V486 PolarHBondContact O-N 2.92Å; V486-F488 HydrophobicContact CB-CE2 3.99Å; V486-F488 HydrophobicContact CB-CZ 4.32Å; V486-F488 HydrophobicContact CG1-CE2 3.89Å; V486-F488 HydrophobicContact CG1-CZ 3.9Å; V486-F488 WeakPolarHBondContact O-CD2 3.14Å; V486-F488 VanDerWaalsContact O-CE2 3.25Å; V486-F488 WeakPolarHBondContact O-CE2 3.47Å
487Q96.8Very high90.9Very high136 Ų13662.9 Ų62.964%0.63634%0.341SS*.  trans-71.7130.8178.4-69.8-69.2-59.300111.8N39 E481 P489N39-Q487 WeakPolarHBondContact CB-O 3.42Å; N39-Q487 PolarHBondContact ND2-O 3.47Å; E481-Q487 PolarHBondContact OE1-NE2 2.67Å; E481-Q487 PolarHBondContact OE1-OE1 2.75Å; Q487-P489 WeakPolarHBondContact O-CD 3.35Å
488F96.9Very high90Very high1 Ų166.4 Ų66.40%0.00436%0.359CS..  trans-117.579.9171.9-65.2-87.3000110.1N39 L41 F457 L469 E481 L484 V486 L490 R491N39-F488 HydrophobicContact CB-CD1 3.52Å; N39-F488 HydrophobicContact CB-CE1 3.74Å; N39-F488 HydrophobicContact CB-CG 4.3Å; L41-F488 HydrophobicContact CB-CB 3.96Å; L41-F488 HydrophobicContact CB-CD1 4.16Å; L41-F488 HydrophobicContact CB-CG 4.11Å; L41-F488 HydrophobicContact CD1-CD2 4.44Å; L41-F488 HydrophobicContact CD1-CG 4.41Å; F457-F488 HydrophobicContact CE1-CZ 4.1Å; F457-F488 HydrophobicContact CZ-CZ 4.41Å; L469-F488 HydrophobicContact CD1-CE1 3.83Å; L469-F488 HydrophobicContact CD1-CE2 4.12Å; L469-F488 HydrophobicContact CD1-CZ 3.43Å; L469-F488 VanDerWaalsContact CD1-CZ 3.43Å; L469-F488 HydrophobicContact CG-CE1 3.8Å; L469-F488 HydrophobicContact CG-CZ 3.89Å; E481-F488 HydrophobicContact CB-CD2 4.29Å; E481-F488 HydrophobicContact CG-CD2 4.47Å; E481-F488 PolarHBondContact OE2-N 2.78Å; L484-F488 HydrophobicContact CD1-CE2 4.29Å; L484-F488 HydrophobicContact CD1-CZ 4.41Å; V486-F488 HydrophobicContact CB-CE2 3.99Å; V486-F488 HydrophobicContact CB-CZ 4.32Å; V486-F488 HydrophobicContact CG1-CE2 3.89Å; V486-F488 HydrophobicContact CG1-CZ 3.9Å; V486-F488 WeakPolarHBondContact O-CD2 3.14Å; V486-F488 VanDerWaalsContact O-CE2 3.25Å; V486-F488 WeakPolarHBondContact O-CE2 3.47Å; F488-L490 PolarHBondContact O-N 2.96Å; F488-R491 VanDerWaalsContact O-CG 3.24Å; F488-R491 WeakPolarHBondContact O-CG 3.4Å; F488-R491 PolarHBondContact O-NE 3.09Å; F488-R491 VanDerWaalsContact O-NE 3.16Å
489P96.7Very high89.2Confident75 Ų7563.6 Ų63.649%0.48735%0.347SS..  trans-64.9-25-176.627.2-36.6000112.9Q38 N39 Q487Q38-P489 HydrophobicContact CB-CG 3.92Å; Q38-P489 HydrophobicContact CG-CG 4.02Å; N39-P489 WeakPolarHBondContact O-CD 3.32Å; Q487-P489 WeakPolarHBondContact O-CD 3.35Å
490L96.8Very high88.6Confident15 Ų1567.5 Ų67.58%0.07936%0.364CS..EExtended strand (participates in β ladder)trans-99.9113.3176.2-62.4173.7000109.5E32 S33 Q38 C40 L41 F488E32-L490 HydrophobicContact CB-CD1 4.21Å; E32-L490 HydrophobicContact CG-CD1 3.89Å; E32-L490 HydrophobicContact CG-CD2 3.89Å; S33-L490 VanDerWaalsContact N-CD1 3.35Å; Q38-L490 HydrophobicContact CB-CD1 4.03Å; Q38-L490 HydrophobicContact CB-CG 4.44Å; C40-L490 CarbonylContact C-O 3.5Å; C40-L490 VanDerWaalsContact CA-O 3.27Å; C40-L490 WeakPolarHBondContact CA-O 3.46Å; C40-L490 HydrophobicContact CB-CB 4.06Å; C40-L490 PolarHBondContact SG-O 3.48Å; C40-L490 VanDerWaalsContact SG-O 3.35Å; L41-L490 PolarHBondContact N-O 3.05Å; F488-L490 PolarHBondContact O-N 2.96Å
491R95.2Very high88.2Confident76 Ų7673.4 Ų73.429%0.28740%0.4SS..EExtended strand (participates in β ladder)trans-123.8149178.3-53.8-174.2-173.3172.30.2111.4R29 L41 D478 E481 F488R29-R491 PolarHBondContact NH1-O 2.93Å; L41-R491 HydrophobicContact CB-CG 4.4Å; L41-R491 CarbonylContact O-C 3.51Å; L41-R491 WeakPolarHBondContact O-CA 3.41Å; D478-R491 IonicContact OD1-CZ 3.85Å; D478-R491 IonicContact OD1-NH1 2.65Å; D478-R491 PolarHBondContact OD1-NH1 3.29Å; D478-R491 IonicContact OD1-NH2 3.06Å; E481-R491 IonicContact OE1-NH2 3.54Å; E481-R491 PolarHBondContact OE1-NH2 3Å; E481-R491 IonicContact OE2-CZ 2.79Å; E481-R491 IonicContact OE2-NE 2.77Å; E481-R491 IonicContact OE2-NH2 2.97Å; E481-R491 PolarHBondContact OE2-NH2 3.49Å; F488-R491 VanDerWaalsContact O-CG 3.24Å; F488-R491 WeakPolarHBondContact O-CG 3.4Å; F488-R491 PolarHBondContact O-NE 3.09Å; F488-R491 VanDerWaalsContact O-NE 3.16Å
492L93Very high87.7Confident26 Ų2682.4 Ų82.414%0.13643%0.434CS..EExtended strand (participates in β ladder)trans-147.1121.9170.6-178.169.3000109.7M26 R29 L41 L42 E43M26-L492 HydrophobicContact CB-CD2 4.11Å; R29-L492 HydrophobicContact CG-CB 4.25Å; L41-L492 PolarHBondContact O-N 3.35Å; L42-L492 HydrophobicContact CD2-CB 3.72Å; L42-L492 HydrophobicContact CD2-CD2 4.2Å; E43-L492 PolarHBondContact N-O 3.02Å
493E91.1Very high87.2Confident119 Ų11984 Ų8456%0.55643%0.432SS*.EExtended strand (participates in β ladder)trans-107.9106.8165.2-68.5172.6-130.600107.6E43 L477E43-E493 HydrophobicContact CB-CG 4.21Å; L477-E493 HydrophobicContact CD1-CG 3.69Å; L477-E493 VanDerWaalsContact CD1-OE1 3.23Å; L477-E493 WeakPolarHBondContact CD1-OE1 3.32Å; L477-E493 HydrophobicContact CG-CG 4.44Å
494A81.9Confident86.8Confident18 Ų1887.9 Ų87.915%0.14945%0.454CS..PPolyproline II helixtrans-75.4131.8178.600000110.2C22 E43 P45C22-A494 HydrophobicContact CB-CB 4.43Å; E43-A494 PolarHBondContact O-N 2.97Å; P45-A494 WeakPolarHBondContact CD-O 3.49Å
495N74.2Confident86.5Confident151 Ų15193.9 Ų93.981%0.80749%0.49SS*.PPolyproline II helixtrans-52.8143.5175.3-69.5-31.9000112V497N495-V497 PolarHBondContact O-N 3.32Å
496H69.8Low86.3Confident115 Ų11593.1 Ų93.153%0.53249%0.489SS..PPolyproline II helixtrans-61134.5175.1-152.7-90.8000110.7I498H496-I498 WeakPolarHBondContact ND1-CB 3.44Å; H496-I498 PolarHBondContact ND1-N 3.18Å; H496-I498 PolarHBondContact O-N 2.9Å
497V67.2Low86.1Confident108 Ų10898.9 Ų98.966%0.65553%0.525SS*.SBendtrans-69.8-24.5-178.1-172.10000111.2T48 N495T48-V497 HydrophobicContact CG2-CG2 3.55Å; N495-V497 PolarHBondContact O-N 3.32Å
498I72Confident85.9Confident83 Ų8397.7 Ų97.743%0.42652%0.522SS..SBendtrans-90.4125.4178-51.4-178.8000109.1H496 R502H496-I498 WeakPolarHBondContact ND1-CB 3.44Å; H496-I498 PolarHBondContact ND1-N 3.18Å; H496-I498 PolarHBondContact O-N 2.9Å; I498-R502 HydrophobicContact CG2-CB 3.71Å
499S77.2Confident85.8Confident52 Ų52101.2 Ų101.236%0.36455%0.547SS..  trans-65.3147.6175.663.60000111.7T501 R502S499-T501 PolarHBondContact O-N 3.26Å; S499-T501 PolarHBondContact OG-OG1 2.87Å; S499-R502 PolarHBondContact O-N 3.12Å; S499-R502 WeakPolarHBondContact OG-CG 3.35Å
500N81Confident85.8Confident143 Ų143102 Ų10277%0.76554%0.544SS*.G310 helixtrans-55.3-28.7177.5-67.1-5.2000113R502 L503N500-R502 PolarHBondContact O-N 2.91Å; N500-L503 PolarHBondContact O-N 3.04Å
501T86.6Confident85.6Confident133 Ų133101.6 Ų101.682%0.81654%0.544SS*.G310 helixtrans-68-14.9175.953.60000114.4S499S499-T501 PolarHBondContact O-N 3.26Å; S499-T501 PolarHBondContact OG-OG1 2.87Å
502R84.2Confident85.6Confident210 Ų210100.9 Ų100.979%0.79255%0.549SS*.G310 helixtrans-107.86.4179.1-66.2-178.9-178.7-170.81.5112.7I498 S499 N500I498-R502 HydrophobicContact CG2-CB 3.71Å; S499-R502 PolarHBondContact O-N 3.12Å; S499-R502 WeakPolarHBondContact OG-CG 3.35Å; N500-R502 PolarHBondContact O-N 2.91Å
503L84.3Confident85.6Confident106 Ų106105.5 Ų105.556%0.55557%0.574SS**  trans-117.3121.1179.6-178.565.8000109.3N500 V505N500-L503 PolarHBondContact O-N 3.04Å; L503-V505 HydrophobicContact CD1-CG2 4.24Å; L503-V505 HydrophobicContact CD2-CG2 4.33Å; L503-V505 HydrophobicContact CG-CG2 4.11Å
504L87.6Confident85.6Confident152 Ų152102.3 Ų102.380%0.79657%0.573SS**  trans-117.9114169.4177.865.9000108.1
505V90.2Very high86.1Confident126 Ų126103.9 Ų103.976%0.76458%0.581SS**  trans-103.8119.8169.3-1760000107.1L503L503-V505 HydrophobicContact CD1-CG2 4.24Å; L503-V505 HydrophobicContact CD2-CG2 4.33Å; L503-V505 HydrophobicContact CG-CG2 4.11Å
506T91.8Very high87.1Confident99 Ų99105.7 Ų105.761%0.60758%0.576SS**  trans-139.5151.4-179.3-1700000110.7
507T92.8Very high88.2Confident133 Ų133101.7 Ų101.782%0.81656%0.559SS**  trans-111124.5174.754.70000109.2
508L92.8Very high89.4Confident110 Ų11098.1 Ų98.158%0.57654%0.538SS*.  trans-92.6119.6175.9-67.5169.6000109.8L517 V536L508-L517 HydrophobicContact CB-CD1 4.26Å; L508-V536 HydrophobicContact CD1-CG1 3.62Å
509S95Very high90.2Very high75 Ų7597.4 Ų97.452%0.52455%0.545SS..  trans-93.1-20.8177.756.50000113.4L517S509-L517 PolarHBondContact O-N 3.25Å
510H96.1Very high90.8Very high91 Ų9198.2 Ų98.242%0.42155%0.547SS..BIsolated β-bridgetrans-137.5149.1-177-61.478.9000110.7G514 T515H510-G514 PolarHBondContact CD2-O 2.83Å; H510-G514 VanDerWaalsContact CD2-O 3.31Å; H510-T515 CarbonylContact C-O 3.53Å; H510-T515 VanDerWaalsContact CA-O 3.25Å; H510-T515 WeakPolarHBondContact CA-O 3.34Å
511G94.6Very high90.9Very high8 Ų899.9 Ų99.98%0.08254%0.544CS..  trans-82.6174.5172.500000112.3N513 G514 T515 E532G511-N513 PolarHBondContact O-N 3.23Å; G511-N513 VanDerWaalsContact O-N 3.13Å; G511-G514 PolarHBondContact O-N 3.29Å; G511-T515 PolarHBondContact N-O 2.98Å; G511-E532 VanDerWaalsContact CA-OE2 3.22Å; G511-E532 WeakPolarHBondContact CA-OE2 3.45Å
512P93.5Very high90.8Very high61 Ų61101 Ų10140%0.39654%0.54SS..THydrogen-bonded Turntrans-57.9-25.7-175.7-28.137.6000115.2G514 E532 A535 V536 N539P512-G514 VanDerWaalsContact C-N 3.34Å; P512-E532 WeakPolarHBondContact CD-OE2 3.25Å; P512-E532 VanDerWaalsContact N-OE2 3.09Å; P512-A535 HydrophobicContact CB-CB 4.39Å; P512-A535 HydrophobicContact CG-CB 3.75Å; P512-V536 HydrophobicContact CG-CG2 4.27Å; P512-N539 WeakPolarHBondContact CG-ND2 3.35Å
513N92.8Very high91Very high123 Ų12395.1 Ų95.166%0.65852%0.522SS*.THydrogen-bonded Turntrans-95.213.2176.4-39.4-69.7000113.2G511 T515 E532G511-N513 PolarHBondContact O-N 3.23Å; G511-N513 VanDerWaalsContact O-N 3.13Å; N513-T515 VanDerWaalsContact C-N 3.33Å; N513-T515 PolarHBondContact O-N 2.78Å; N513-E532 VanDerWaalsContact CB-OE1 3.24Å; N513-E532 WeakPolarHBondContact CB-OE1 3.4Å; N513-E532 PolarHBondContact N-OE2 3.35Å; N513-E532 PolarHBondContact ND2-OE1 2.64Å; N513-E532 PolarHBondContact ND2-OE2 3.15Å
514G93Very high91.3Very high51 Ų5191.6 Ų91.653%0.52650%0.502SS..SBendtrans82.44.2177.400000114.6H510 G511 P512H510-G514 PolarHBondContact CD2-O 2.83Å; H510-G514 VanDerWaalsContact CD2-O 3.31Å; G511-G514 PolarHBondContact O-N 3.29Å; P512-G514 VanDerWaalsContact C-N 3.34Å
515T92.5Very high91.4Very high52 Ų5287.6 Ų87.632%0.31948%0.482SS..  trans-72.2133.9174.5-49.90000110.4H510 G511 N513 L517 T528 E532H510-T515 CarbonylContact C-O 3.53Å; H510-T515 VanDerWaalsContact CA-O 3.25Å; H510-T515 WeakPolarHBondContact CA-O 3.34Å; G511-T515 PolarHBondContact N-O 2.98Å; N513-T515 VanDerWaalsContact C-N 3.33Å; N513-T515 PolarHBondContact O-N 2.78Å; T515-L517 PolarHBondContact O-N 2.91Å; T515-T528 HydrophobicContact CG2-CG2 3.94Å; T515-E532 WeakPolarHBondContact CB-OE1 3.26Å; T515-E532 HydrophobicContact CG2-CG 4.46Å; T515-E532 PolarHBondContact N-OE1 3.48Å; T515-E532 PolarHBondContact OG1-OE1 3Å
516R93.8Very high91.5Very high188 Ų18884.2 Ų84.271%0.70946%0.462SS*.BIsolated β-bridgetrans-63.7127.9175.6-172.5179.3175.4-158.5-0.2111.1C518R516-C518 PolarHBondContact O-N 3.47Å
517L93.6Very high91.6Very high32 Ų3286.6 Ų86.617%0.16846%0.46CS..  trans-82.9101.5177.1-62.2176.6000109.8L508 S509 T515 E532 I533 V536L508-L517 HydrophobicContact CB-CD1 4.26Å; S509-L517 PolarHBondContact O-N 3.25Å; T515-L517 PolarHBondContact O-N 2.91Å; L517-E532 HydrophobicContact CD2-CB 3.82Å; L517-I533 HydrophobicContact CD1-CD1 3.92Å; L517-I533 HydrophobicContact CD2-CD1 3.71Å; L517-I533 HydrophobicContact CD2-CG1 4.16Å; L517-I533 HydrophobicContact CG-CD1 4.29Å; L517-V536 HydrophobicContact CD1-CG2 4.24Å
518C91.9Very high91.6Very high32 Ų3284.1 Ų84.122%0.21645%0.445CS..  trans-114.4101.1177.3-173.60000110R516 T520 H523R516-C518 PolarHBondContact O-N 3.47Å; C518-T520 PolarHBondContact O-N 3.37Å; C518-T520 VanDerWaalsContact O-N 3.11Å; C518-H523 HydrophobicContact CB-CB 4.28Å; C518-H523 WeakPolarHBondContact O-CB 3.49Å
519A89.6Confident91.7Very high69 Ų6979.7 Ų79.757%0.5742%0.421SS*.  trans-85.135.1-17600000113.9Q524 F529A519-Q524 PolarHBondContact O-NE2 3.01Å; A519-F529 HydrophobicContact CB-CE2 4.13Å; A519-F529 HydrophobicContact CB-CZ 3.85Å
520T89.8Confident91.6Very high68 Ų6876.5 Ų76.542%0.41740%0.398SS..SBendtrans-80.4150.5174.357.10000110.9C518 Q522 H523 Q524C518-T520 PolarHBondContact O-N 3.37Å; C518-T520 VanDerWaalsContact O-N 3.11Å; T520-Q522 VanDerWaalsContact C-N 3.25Å; T520-Q522 PolarHBondContact O-N 3.13Å; T520-H523 PolarHBondContact O-N 3.16Å; T520-H523 PolarHBondContact OG1-ND1 3.04Å; T520-Q524 VanDerWaalsContact C-CG 3.45Å; T520-Q524 WeakPolarHBondContact O-CG 3.46Å; T520-Q524 PolarHBondContact O-N 2.74Å
521Y82.7Confident91.6Very high178 Ų17873.1 Ų73.170%0.69838%0.383SS*.Hα-helixtrans-46.7-43.6-174.2-175.9-97.9000114.2N525Y521-N525 PolarHBondContact O-ND2 3.22Å
522Q84.5Confident91.6Very high157 Ų15772.9 Ų72.973%0.73438%0.38SS*.Hα-helixtrans-62.2-47.2174.8-90.3178.1-21.500112.9T520 N525T520-Q522 VanDerWaalsContact C-N 3.25Å; T520-Q522 PolarHBondContact O-N 3.13Å; Q522-N525 PolarHBondContact O-N 3.2Å
523H88.8Confident91.7Very high87 Ų8771.6 Ų71.640%0.40337%0.369SS..Hα-helixtrans-74.3-31.7-174-75.385.4000113.2C518 T520 N525 T526 F529C518-H523 HydrophobicContact CB-CB 4.28Å; C518-H523 WeakPolarHBondContact O-CB 3.49Å; T520-H523 PolarHBondContact O-N 3.16Å; T520-H523 PolarHBondContact OG1-ND1 3.04Å; H523-N525 PolarHBondContact O-N 3.33Å; H523-N525 VanDerWaalsContact O-N 3.11Å; H523-T526 WeakPolarHBondContact O-CB 3.33Å; H523-T526 PolarHBondContact O-N 3.2Å; H523-T526 PolarHBondContact O-OG1 3.19Å; H523-F529 WeakPolarHBondContact O-CB 3.45Å
524Q90.7Very high91.8Very high32 Ų3266.1 Ų66.115%0.1534%0.342CS..Hα-helixtrans-61.6-21.7176.5-9.3175.7-20.500112.4A519 T520 T526 F529 Q530 L557A519-Q524 PolarHBondContact O-NE2 3.01Å; T520-Q524 VanDerWaalsContact C-CG 3.45Å; T520-Q524 WeakPolarHBondContact O-CG 3.46Å; T520-Q524 PolarHBondContact O-N 2.74Å; Q524-T526 VanDerWaalsContact C-N 3.32Å; Q524-F529 HydrophobicContact CB-CD1 4.28Å; Q524-F529 HydrophobicContact CB-CE1 4.13Å; Q524-Q530 WeakPolarHBondContact O-CG 3.17Å; Q524-Q530 PolarHBondContact O-NE2 2.98Å; Q524-L557 HydrophobicContact CB-CD1 3.85Å
525N88.7Confident91.9Very high67 Ų6765 Ų6536%0.35833%0.327SS..THydrogen-bonded Turntrans-82.1-9176.4-64.7-38.9000113.4Y521 Q522 H523 K560Y521-N525 PolarHBondContact O-ND2 3.22Å; Q522-N525 PolarHBondContact O-N 3.2Å; H523-N525 PolarHBondContact O-N 3.33Å; H523-N525 VanDerWaalsContact O-N 3.11Å; N525-K560 PolarHBondContact OD1-NZ 2.91Å
526T92.6Very high92Very high56 Ų5663.9 Ų63.934%0.34432%0.321SS..SBendtrans-82.2135.4179.467.90000110.9H523 Q524 T528 F529 Q530H523-T526 WeakPolarHBondContact O-CB 3.33Å; H523-T526 PolarHBondContact O-N 3.2Å; H523-T526 PolarHBondContact O-OG1 3.19Å; Q524-T526 VanDerWaalsContact C-N 3.32Å; T526-T528 PolarHBondContact O-N 3.07Å; T526-F529 PolarHBondContact O-N 3.22Å; T526-F529 WeakPolarHBondContact OG1-CB 2.88Å; T526-F529 PolarHBondContact OG1-N 2.77Å; T526-Q530 WeakPolarHBondContact O-CG 3.26Å; T526-Q530 PolarHBondContact O-N 2.94Å
527Y93.4Very high92Very high149 Ų14956.6 Ų56.658%0.58430%0.297SS*.Hα-helixtrans-59.5-34.2176.7-65.7-36.6000112.5F529 Q530 D531Y527-F529 PolarHBondContact O-N 3.37Å; Y527-Q530 PolarHBondContact O-N 2.84Å; Y527-D531 WeakPolarHBondContact O-CB 3.44Å; Y527-D531 PolarHBondContact O-N 3.28Å
528T93.2Very high92Very high80 Ų8058.1 Ų58.149%0.49131%0.307SS..Hα-helixtrans-59.2-46.8177.3-390000111.8T515 T526 E532T515-T528 HydrophobicContact CG2-CG2 3.94Å; T526-T528 PolarHBondContact O-N 3.07Å; T528-E532 WeakPolarHBondContact O-CB 3.4Å; T528-E532 WeakPolarHBondContact O-CG 3.22Å; T528-E532 PolarHBondContact O-N 3.41Å
529F94.1Very high92.1Very high18 Ų1859.6 Ų59.68%0.07931%0.313CS..Hα-helixtrans-63.3-46.2176.8174.3-93000111.7A519 H523 Q524 T526 Y527 D531 E532 I533A519-F529 HydrophobicContact CB-CE2 4.13Å; A519-F529 HydrophobicContact CB-CZ 3.85Å; H523-F529 WeakPolarHBondContact O-CB 3.45Å; Q524-F529 HydrophobicContact CB-CD1 4.28Å; Q524-F529 HydrophobicContact CB-CE1 4.13Å; T526-F529 PolarHBondContact O-N 3.22Å; T526-F529 WeakPolarHBondContact OG1-CB 2.88Å; T526-F529 PolarHBondContact OG1-N 2.77Å; Y527-F529 PolarHBondContact O-N 3.37Å; F529-D531 VanDerWaalsContact C-N 3.33Å; F529-D531 PolarHBondContact O-N 3.2Å; F529-E532 PolarHBondContact O-N 3.41Å; F529-I533 HydrophobicContact CD1-CG1 4.32Å; F529-I533 HydrophobicContact CD2-CG1 4.38Å; F529-I533 HydrophobicContact CE1-CG1 3.87Å; F529-I533 HydrophobicContact CE2-CD1 4.23Å; F529-I533 HydrophobicContact CE2-CG1 3.91Å; F529-I533 HydrophobicContact CZ-CD1 4.15Å; F529-I533 HydrophobicContact CZ-CG1 3.64Å; F529-I533 WeakPolarHBondContact O-CG1 3.35Å; F529-I533 PolarHBondContact O-N 2.73Å
530Q94.8Very high92.3Very high7 Ų758 Ų583%0.03330%0.3CS..Hα-helixtrans-61.9-43.5-178.4-60.3174.84.400111.1Q524 T526 Y527 G534 L561 R564 W565Q524-Q530 WeakPolarHBondContact O-CG 3.17Å; Q524-Q530 PolarHBondContact O-NE2 2.98Å; T526-Q530 WeakPolarHBondContact O-CG 3.26Å; T526-Q530 PolarHBondContact O-N 2.94Å; Y527-Q530 PolarHBondContact O-N 2.84Å; Q530-G534 PolarHBondContact O-N 3.45Å; Q530-L561 HydrophobicContact CB-CD2 3.75Å; Q530-L561 HydrophobicContact CG-CD2 3.56Å; Q530-R564 HydrophobicContact CB-CB 4.37Å; Q530-R564 HydrophobicContact CB-CG 3.83Å; Q530-R564 VanDerWaalsContact OE1-CB 3.31Å; Q530-R564 VanDerWaalsContact OE1-CG 3.29Å; Q530-W565 PolarHBondContact O-NE1 2.79Å
531D94.9Very high92.5Very high20 Ų2057.9 Ų57.911%0.10730%0.301CS..Hα-helixtrans-66.2-40.9178.6-74.4-5.7000112.2Y527 F529 G534 A535 R564 R568Y527-D531 WeakPolarHBondContact O-CB 3.44Å; Y527-D531 PolarHBondContact O-N 3.28Å; F529-D531 VanDerWaalsContact C-N 3.33Å; F529-D531 PolarHBondContact O-N 3.2Å; D531-G534 PolarHBondContact O-N 2.98Å; D531-A535 PolarHBondContact O-N 2.85Å; D531-R564 IonicContact OD1-CZ 3.84Å; D531-R564 IonicContact OD1-NE 3.76Å; D531-R564 PolarHBondContact OD1-NE 2.97Å; D531-R564 IonicContact OD1-NH2 3.45Å; D531-R564 PolarHBondContact OD1-NH2 3.23Å; D531-R564 IonicContact OD2-CZ 3.41Å; D531-R564 IonicContact OD2-NE 3.16Å; D531-R564 IonicContact OD2-NH2 3.54Å; D531-R564 PolarHBondContact OD2-NH2 3.28Å; D531-R568 IonicContact OD2-CZ 3.62Å; D531-R568 IonicContact OD2-NE 3.15Å; D531-R568 IonicContact OD2-NH1 3.95Å; D531-R568 IonicContact OD2-NH2 2.88Å
532E95.3Very high93Very high4 Ų458.7 Ų58.72%0.01930%0.303CS..Hα-helixtrans-67-44.2177.5-73.6-82.5-166.800111.8G511 P512 N513 T515 L517 T528 F529 G534 A535 V536G511-E532 VanDerWaalsContact CA-OE2 3.22Å; G511-E532 WeakPolarHBondContact CA-OE2 3.45Å; P512-E532 WeakPolarHBondContact CD-OE2 3.25Å; P512-E532 VanDerWaalsContact N-OE2 3.09Å; N513-E532 VanDerWaalsContact CB-OE1 3.24Å; N513-E532 WeakPolarHBondContact CB-OE1 3.4Å; N513-E532 PolarHBondContact N-OE2 3.35Å; N513-E532 PolarHBondContact ND2-OE1 2.64Å; N513-E532 PolarHBondContact ND2-OE2 3.15Å; T515-E532 WeakPolarHBondContact CB-OE1 3.26Å; T515-E532 HydrophobicContact CG2-CG 4.46Å; T515-E532 PolarHBondContact N-OE1 3.48Å; T515-E532 PolarHBondContact OG1-OE1 3Å; L517-E532 HydrophobicContact CD2-CB 3.82Å; T528-E532 WeakPolarHBondContact O-CB 3.4Å; T528-E532 WeakPolarHBondContact O-CG 3.22Å; T528-E532 PolarHBondContact O-N 3.41Å; F529-E532 PolarHBondContact O-N 3.41Å; E532-G534 VanDerWaalsContact C-N 3.32Å; E532-G534 PolarHBondContact O-N 2.86Å; E532-A535 PolarHBondContact O-N 3.08Å; E532-V536 WeakPolarHBondContact O-CG2 3.2Å; E532-V536 PolarHBondContact O-N 2.91Å
533I94.9Very high93.4Very high33 Ų3358 Ų5817%0.16930%0.303CS..Hα-helixtrans-63-41.1174.4-67.4-63.5000110.8L517 F529 A535 V536 V537 L561 W565L517-I533 HydrophobicContact CD1-CD1 3.92Å; L517-I533 HydrophobicContact CD2-CD1 3.71Å; L517-I533 HydrophobicContact CD2-CG1 4.16Å; L517-I533 HydrophobicContact CG-CD1 4.29Å; F529-I533 HydrophobicContact CD1-CG1 4.32Å; F529-I533 HydrophobicContact CD2-CG1 4.38Å; F529-I533 HydrophobicContact CE1-CG1 3.87Å; F529-I533 HydrophobicContact CE2-CD1 4.23Å; F529-I533 HydrophobicContact CE2-CG1 3.91Å; F529-I533 HydrophobicContact CZ-CD1 4.15Å; F529-I533 HydrophobicContact CZ-CG1 3.64Å; F529-I533 WeakPolarHBondContact O-CG1 3.35Å; F529-I533 PolarHBondContact O-N 2.73Å; I533-A535 VanDerWaalsContact C-N 3.31Å; I533-A535 PolarHBondContact O-N 3.3Å; I533-V536 WeakPolarHBondContact O-CB 3.44Å; I533-V536 PolarHBondContact O-N 3.21Å; I533-V537 HydrophobicContact CG2-CG2 4.44Å; I533-V537 WeakPolarHBondContact O-CG2 3.47Å; I533-V537 PolarHBondContact O-N 3.28Å; I533-L561 HydrophobicContact CG2-CD1 4.31Å; I533-W565 HydrophobicContact CB-CZ2 4.31Å; I533-W565 HydrophobicContact CG2-CH2 4.12Å; I533-W565 HydrophobicContact CG2-CZ2 3.77Å
534G94.9Very high93.6Very high9 Ų957 Ų579%0.09330%0.304CS..Hα-helixtrans-56.8-46.117400000111.7Q530 D531 E532 V536 V537 V538 W565Q530-G534 PolarHBondContact O-N 3.45Å; D531-G534 PolarHBondContact O-N 2.98Å; E532-G534 VanDerWaalsContact C-N 3.32Å; E532-G534 PolarHBondContact O-N 2.86Å; G534-V536 PolarHBondContact O-N 3.44Å; G534-V537 PolarHBondContact O-N 2.85Å; G534-V538 WeakPolarHBondContact O-CG2 3.4Å; G534-V538 PolarHBondContact O-N 3.39Å; G534-W565 VanDerWaalsContact CA-CE2 3.44Å
535A95Very high93.4Very high26 Ų2662 Ų6222%0.21534%0.339CS..Hα-helixtrans-64.3-38176.900000112.9P512 D531 E532 I533 N539P512-A535 HydrophobicContact CB-CB 4.39Å; P512-A535 HydrophobicContact CG-CB 3.75Å; D531-A535 PolarHBondContact O-N 2.85Å; E532-A535 PolarHBondContact O-N 3.08Å; I533-A535 VanDerWaalsContact C-N 3.31Å; I533-A535 PolarHBondContact O-N 3.3Å; A535-N539 WeakPolarHBondContact O-CB 3.38Å; A535-N539 VanDerWaalsContact O-CG 3.29Å; A535-N539 PolarHBondContact O-N 2.92Å; A535-N539 PolarHBondContact O-ND2 3.22Å
536V94.8Very high93.2Very high30 Ų3062.6 Ų62.618%0.18236%0.36CS..Hα-helixtrans-57.6-50.8171.71720000110.5L508 P512 L517 E532 I533 G534 N539 A540L508-V536 HydrophobicContact CD1-CG1 3.62Å; P512-V536 HydrophobicContact CG-CG2 4.27Å; L517-V536 HydrophobicContact CD1-CG2 4.24Å; E532-V536 WeakPolarHBondContact O-CG2 3.2Å; E532-V536 PolarHBondContact O-N 2.91Å; I533-V536 WeakPolarHBondContact O-CB 3.44Å; I533-V536 PolarHBondContact O-N 3.21Å; G534-V536 PolarHBondContact O-N 3.44Å; V536-N539 PolarHBondContact O-N 2.75Å; V536-A540 PolarHBondContact O-N 3.26Å
537V94.1Very high93.1Very high34 Ų3462.4 Ų62.421%0.20637%0.37CS..Hα-helixtrans-64-44.8-177.8174.80000110.9I533 G534 N539 A540 C541 W565I533-V537 HydrophobicContact CG2-CG2 4.44Å; I533-V537 WeakPolarHBondContact O-CG2 3.47Å; I533-V537 PolarHBondContact O-N 3.28Å; G534-V537 PolarHBondContact O-N 2.85Å; V537-N539 VanDerWaalsContact C-N 3.32Å; V537-N539 PolarHBondContact O-N 2.78Å; V537-A540 WeakPolarHBondContact O-CB 3.46Å; V537-A540 PolarHBondContact O-N 3.38Å; V537-A540 VanDerWaalsContact O-N 3.17Å; V537-C541 PolarHBondContact O-N 3.16Å; V537-C541 PolarHBondContact O-SG 3.39Å; V537-W565 HydrophobicContact CG2-CH2 4.35Å
538V93.5Very high93Very high64 Ų6458 Ų5839%0.38836%0.359SS..Hα-helixtrans-58.7-44.3176.5168.60000111.3G534 A540 C541 R542G534-V538 WeakPolarHBondContact O-CG2 3.4Å; G534-V538 PolarHBondContact O-N 3.39Å; V538-A540 PolarHBondContact O-N 3.18Å; V538-C541 PolarHBondContact O-N 2.93Å; V538-R542 WeakPolarHBondContact O-CG 3.35Å; V538-R542 PolarHBondContact O-N 3.28Å
539N93.8Very high93Very high63 Ų6360.9 Ų60.934%0.33737%0.37SS..Hα-helixtrans-64.1-40.6177.1-75.3-15.1000111.8P512 A535 V536 V537 R542 L543P512-N539 WeakPolarHBondContact CG-ND2 3.35Å; A535-N539 WeakPolarHBondContact O-CB 3.38Å; A535-N539 VanDerWaalsContact O-CG 3.29Å; A535-N539 PolarHBondContact O-N 2.92Å; A535-N539 PolarHBondContact O-ND2 3.22Å; V536-N539 PolarHBondContact O-N 2.75Å; V537-N539 VanDerWaalsContact C-N 3.32Å; V537-N539 PolarHBondContact O-N 2.78Å; N539-R542 PolarHBondContact O-N 3.04Å; N539-L543 WeakPolarHBondContact O-CG 3.2Å; N539-L543 PolarHBondContact O-N 2.78Å
540A93.2Very high92.9Very high35 Ų3563.3 Ų63.329%0.28939%0.389SS..Hα-helixtrans-61.6-47.1174.100000111.6V536 V537 V538 R542 L543 V544 V548V536-A540 PolarHBondContact O-N 3.26Å; V537-A540 WeakPolarHBondContact O-CB 3.46Å; V537-A540 PolarHBondContact O-N 3.38Å; V537-A540 VanDerWaalsContact O-N 3.17Å; V538-A540 PolarHBondContact O-N 3.18Å; A540-R542 VanDerWaalsContact C-N 3.3Å; A540-R542 PolarHBondContact O-N 3.4Å; A540-L543 PolarHBondContact O-N 3.45Å; A540-L543 VanDerWaalsContact O-N 3.11Å; A540-V544 WeakPolarHBondContact O-CB 3.43Å; A540-V544 WeakPolarHBondContact O-CG2 3.34Å; A540-V544 PolarHBondContact O-N 2.72Å; A540-V548 HydrophobicContact CB-CG2 4.43Å
541C94.2Very high92.8Very high66 Ų6671.5 Ų71.545%0.44642%0.424SS..Hα-helixtrans-62.1-34.1178.8-69.30000113.1V537 V538 L543 V548V537-C541 PolarHBondContact O-N 3.16Å; V537-C541 PolarHBondContact O-SG 3.39Å; V538-C541 PolarHBondContact O-N 2.93Å; C541-L543 VanDerWaalsContact C-N 3.31Å; C541-V548 HydrophobicContact CB-CG2 4.44Å
542R94.2Very high92.6Very high195 Ų19573.4 Ų73.474%0.73643%0.434SS*.Hα-helixtrans-68.5-30175.6-74.3173-178.9166.30.3113.1V538 N539 A540V538-R542 WeakPolarHBondContact O-CG 3.35Å; V538-R542 PolarHBondContact O-N 3.28Å; N539-R542 PolarHBondContact O-N 3.04Å; A540-R542 VanDerWaalsContact C-N 3.3Å; A540-R542 PolarHBondContact O-N 3.4Å
543L92.8Very high92.3Very high142 Ų14279 Ų7974%0.74347%0.471SS*.Hα-helixtrans-92.2-25.3-176.6-66.9171000113N539 A540 C541 P545N539-L543 WeakPolarHBondContact O-CG 3.2Å; N539-L543 PolarHBondContact O-N 2.78Å; A540-L543 PolarHBondContact O-N 3.45Å; A540-L543 VanDerWaalsContact O-N 3.11Å; C541-L543 VanDerWaalsContact C-N 3.31Å; L543-P545 WeakPolarHBondContact O-CD 3.15Å
544V91.5Very high92.1Very high67 Ų6779.9 Ų79.941%0.40648%0.48SS..  trans-103.6107.4-172.9-1790000111A540 G546 G547 V548A540-V544 WeakPolarHBondContact O-CB 3.43Å; A540-V544 WeakPolarHBondContact O-CG2 3.34Å; A540-V544 PolarHBondContact O-N 2.72Å; V544-G546 VanDerWaalsContact C-N 3.34Å; V544-G546 PolarHBondContact O-N 2.94Å; V544-G547 WeakPolarHBondContact CG1-O 3.36Å; V544-V548 HydrophobicContact CB-CG2 3.91Å; V544-V548 HydrophobicContact CG1-CG2 4.26Å; V544-V548 HydrophobicContact CG2-CG2 4.32Å
545P88.2Confident91.9Very high138 Ų13888.7 Ų88.790%0.89651%0.512SS*.THydrogen-bonded Turntrans-73.5-22.6-175.828.1-34.9000113.9L543 G547L543-P545 WeakPolarHBondContact O-CD 3.15Å; P545-G547 VanDerWaalsContact C-N 3.33Å; P545-G547 PolarHBondContact O-N 3.38Å
546G84Confident91.6Very high78 Ų7891.3 Ų91.380%0.80453%0.528SS*.THydrogen-bonded Turntrans-86.32.6-174.300000115.2V544V544-G546 VanDerWaalsContact C-N 3.34Å; V544-G546 PolarHBondContact O-N 2.94Å
547G89.5Confident91.5Very high53 Ų5390.4 Ų90.455%0.54652%0.522SS..  trans91.5157.8-171.400000113V544 P545V544-G547 WeakPolarHBondContact CG1-O 3.36Å; P545-G547 VanDerWaalsContact C-N 3.33Å; P545-G547 PolarHBondContact O-N 3.38Å
548V92.2Very high91.5Very high57 Ų5791.6 Ų91.635%0.34553%0.527SS..  trans-120.3133.2-179.3178.40000108.4A540 C541 V544A540-V548 HydrophobicContact CB-CG2 4.43Å; C541-V548 HydrophobicContact CB-CG2 4.44Å; V544-V548 HydrophobicContact CB-CG2 3.91Å; V544-V548 HydrophobicContact CG1-CG2 4.26Å; V544-V548 HydrophobicContact CG2-CG2 4.32Å
549L92.4Very high91.5Very high139 Ų13993 Ų9373%0.72853%0.533SS*.  trans-106.2120.1172.6-170.664.9000109F551L549-F551 HydrophobicContact CD2-CE1 4.41Å; L549-F551 HydrophobicContact CD2-CE2 3.52Å; L549-F551 HydrophobicContact CD2-CZ 3.4Å; L549-F551 HydrophobicContact CG-CD2 4.46Å; L549-F551 HydrophobicContact CG-CE2 3.78Å; L549-F551 HydrophobicContact CG-CZ 3.94Å
550C92.6Very high91.4Very high70 Ų7092.9 Ų92.947%0.47353%0.529SS..  trans-108.2123.9180-65.60000110.6
551F92.3Very high91.4Very high179 Ų17991.3 Ų91.379%0.78552%0.516SS*.  trans-104.1127.2173.7-66.5-84.6000110L549L549-F551 HydrophobicContact CD2-CE1 4.41Å; L549-F551 HydrophobicContact CD2-CE2 3.52Å; L549-F551 HydrophobicContact CD2-CZ 3.4Å; L549-F551 HydrophobicContact CG-CD2 4.46Å; L549-F551 HydrophobicContact CG-CE2 3.78Å; L549-F551 HydrophobicContact CG-CZ 3.94Å
552L91.3Very high91.4Very high60 Ų6091.2 Ų91.231%0.31451%0.51SS..  trans-112.8154173.1-58.8-156.7000111.7S554 L557 L558 L561L552-S554 PolarHBondContact O-N 3.11Å; L552-L557 HydrophobicContact CD1-CD2 4.45Å; L552-L557 HydrophobicContact CD1-CG 4.15Å; L552-L558 HydrophobicContact CD1-CB 4Å; L552-L558 HydrophobicContact CD1-CD1 4Å; L552-L558 HydrophobicContact CG-CD1 4.24Å; L552-L561 HydrophobicContact CD1-CD1 3.54Å; L552-L561 HydrophobicContact CD1-CG 4.33Å
553P90Very high91.4Very high120 Ų12088.3 Ų88.378%0.77951%0.505SS*.SBendtrans-66.1-19.9-178.2-20.632.3000115.1
554S89.9Confident91.4Very high52 Ų5284.1 Ų84.136%0.36448%0.479SS..  trans-155.8152.7178.869.10000112.2L552 S556 L557 L558L552-S554 PolarHBondContact O-N 3.11Å; S554-S556 VanDerWaalsContact C-N 3.28Å; S554-S556 PolarHBondContact O-N 2.64Å; S554-L557 PolarHBondContact O-N 3.5Å; S554-L557 WeakPolarHBondContact OG-CB 3.24Å; S554-L557 PolarHBondContact OG-N 3.49Å; S554-L557 VanDerWaalsContact OG-N 3.15Å; S554-L558 PolarHBondContact O-N 2.94Å; S554-L558 VanDerWaalsContact O-N 3.09Å
555Y89.6Confident91.5Very high194 Ų19484 Ų8476%0.76147%0.472SS*.Hα-helixtrans-60.6-38171.2-70-72.9000111.9L557 L558 D559Y555-L557 VanDerWaalsContact C-N 3.31Å; Y555-L557 PolarHBondContact O-N 2.99Å; Y555-L558 HydrophobicContact CD1-CD2 4.35Å; Y555-L558 WeakPolarHBondContact O-CB 3.21Å; Y555-L558 PolarHBondContact O-N 3.18Å; Y555-L558 VanDerWaalsContact O-N 3.08Å; Y555-D559 PolarHBondContact O-N 3.13Å
556S90.4Very high91.8Very high81 Ų8184.5 Ų84.557%0.56646%0.462SS*.Hα-helixtrans-58.8-40.8176.8-178.20000112.9S554 K560S554-S556 VanDerWaalsContact C-N 3.28Å; S554-S556 PolarHBondContact O-N 2.64Å; S556-K560 WeakPolarHBondContact O-CB 3.13Å; S556-K560 PolarHBondContact O-N 3.15Å
557L91.3Very high92Very high11 Ų1186.6 Ų86.66%0.05846%0.459CS..Hα-helixtrans-70.8-39.5174.9-177.161.6000111.4Q524 L552 S554 Y555 K560 L561Q524-L557 HydrophobicContact CB-CD1 3.85Å; L552-L557 HydrophobicContact CD1-CD2 4.45Å; L552-L557 HydrophobicContact CD1-CG 4.15Å; S554-L557 PolarHBondContact O-N 3.5Å; S554-L557 WeakPolarHBondContact OG-CB 3.24Å; S554-L557 PolarHBondContact OG-N 3.49Å; S554-L557 VanDerWaalsContact OG-N 3.15Å; Y555-L557 VanDerWaalsContact C-N 3.31Å; Y555-L557 PolarHBondContact O-N 2.99Å; L557-K560 PolarHBondContact O-N 3.06Å; L557-L561 HydrophobicContact CD1-CD1 4.47Å; L557-L561 HydrophobicContact CD1-CD2 4.38Å; L557-L561 HydrophobicContact CD1-CG 4.11Å; L557-L561 HydrophobicContact CG-CD1 4.26Å; L557-L561 HydrophobicContact CG-CG 4.26Å; L557-L561 WeakPolarHBondContact O-CG 3.02Å; L557-L561 PolarHBondContact O-N 3.11Å
558L94.2Very high91.6Very high59 Ų5991.1 Ų91.131%0.30946%0.46SS..Hα-helixtrans-56.1-53.6176.8178.767.1000111.4L552 S554 Y555 K560 L561 I562L552-L558 HydrophobicContact CD1-CB 4Å; L552-L558 HydrophobicContact CD1-CD1 4Å; L552-L558 HydrophobicContact CG-CD1 4.24Å; S554-L558 PolarHBondContact O-N 2.94Å; S554-L558 VanDerWaalsContact O-N 3.09Å; Y555-L558 HydrophobicContact CD1-CD2 4.35Å; Y555-L558 WeakPolarHBondContact O-CB 3.21Å; Y555-L558 PolarHBondContact O-N 3.18Å; Y555-L558 VanDerWaalsContact O-N 3.08Å; L558-K560 VanDerWaalsContact C-N 3.26Å; L558-K560 PolarHBondContact O-N 2.83Å; L558-L561 PolarHBondContact O-N 3.28Å; L558-I562 HydrophobicContact CD1-CD1 3.84Å; L558-I562 HydrophobicContact CD1-CG1 4.28Å; L558-I562 HydrophobicContact CG-CD1 3.8Å; L558-I562 VanDerWaalsContact O-CG1 3.32Å; L558-I562 WeakPolarHBondContact O-CG1 3.25Å; L558-I562 PolarHBondContact O-N 3.39Å
559D93.5Very high90.7Very high93 Ų9393.8 Ų93.850%0.49750%0.499SS..Hα-helixtrans-61.1-38.8-178.6-63-27.1000111.5Y555 I562 Q563Y555-D559 PolarHBondContact O-N 3.13Å; D559-I562 PolarHBondContact O-N 2.88Å; D559-Q563 WeakPolarHBondContact O-CB 3.33Å; D559-Q563 PolarHBondContact O-N 2.96Å
560K91.6Very high90.6Very high62 Ų6291.6 Ų91.627%0.2749%0.487SS..Hα-helixtrans-65.4-44.8177.5-173.6-178.4-65.2165.80112.4N525 S556 L557 L558 R564N525-K560 PolarHBondContact OD1-NZ 2.91Å; S556-K560 WeakPolarHBondContact O-CB 3.13Å; S556-K560 PolarHBondContact O-N 3.15Å; L557-K560 PolarHBondContact O-N 3.06Å; L558-K560 VanDerWaalsContact C-N 3.26Å; L558-K560 PolarHBondContact O-N 2.83Å; K560-R564 PolarHBondContact O-N 3.23Å
561L94.7Very high90.5Very high2 Ų292.7 Ų92.71%0.0149%0.488CS..Hα-helixtrans-66-43.5177.1-69.2-171.3000111.1Q530 I533 L552 L557 L558 R564 W565Q530-L561 HydrophobicContact CB-CD2 3.75Å; Q530-L561 HydrophobicContact CG-CD2 3.56Å; I533-L561 HydrophobicContact CG2-CD1 4.31Å; L552-L561 HydrophobicContact CD1-CD1 3.54Å; L552-L561 HydrophobicContact CD1-CG 4.33Å; L557-L561 HydrophobicContact CD1-CD1 4.47Å; L557-L561 HydrophobicContact CD1-CD2 4.38Å; L557-L561 HydrophobicContact CD1-CG 4.11Å; L557-L561 HydrophobicContact CG-CD1 4.26Å; L557-L561 HydrophobicContact CG-CG 4.26Å; L557-L561 WeakPolarHBondContact O-CG 3.02Å; L557-L561 PolarHBondContact O-N 3.11Å; L558-L561 PolarHBondContact O-N 3.28Å; L561-R564 PolarHBondContact O-N 3.37Å; L561-W565 HydrophobicContact CB-CD2 4.34Å; L561-W565 HydrophobicContact CB-CE3 4.43Å; L561-W565 HydrophobicContact CB-CH2 3.88Å; L561-W565 HydrophobicContact CB-CZ2 3.73Å; L561-W565 HydrophobicContact CB-CZ3 4.23Å; L561-W565 HydrophobicContact CD1-CH2 3.86Å; L561-W565 HydrophobicContact CD1-CZ2 3.76Å; L561-W565 HydrophobicContact CD2-CZ2 4.2Å; L561-W565 HydrophobicContact CG-CH2 4.43Å; L561-W565 HydrophobicContact CG-CZ2 4.1Å; L561-W565 WeakPolarHBondContact O-CB 3.4Å; L561-W565 VanDerWaalsContact O-CD2 3.26Å; L561-W565 PolarHBondContact O-N 3.28Å
562I93.6Very high90.4Very high64 Ų6487.9 Ų87.933%0.32847%0.472SS..Hα-helixtrans-58.1-51.3175.8-70.2172.8000110.4L558 D559 R564 W565 E566L558-I562 HydrophobicContact CD1-CD1 3.84Å; L558-I562 HydrophobicContact CD1-CG1 4.28Å; L558-I562 HydrophobicContact CG-CD1 3.8Å; L558-I562 VanDerWaalsContact O-CG1 3.32Å; L558-I562 WeakPolarHBondContact O-CG1 3.25Å; L558-I562 PolarHBondContact O-N 3.39Å; D559-I562 PolarHBondContact O-N 2.88Å; I562-R564 VanDerWaalsContact C-N 3.28Å; I562-R564 PolarHBondContact O-N 2.88Å; I562-W565 PolarHBondContact O-N 3.31Å; I562-W565 VanDerWaalsContact O-N 3.14Å; I562-E566 HydrophobicContact CG2-CG 4.22Å; I562-E566 WeakPolarHBondContact O-CG 3.39Å; I562-E566 PolarHBondContact O-N 3.22Å
563Q93.3Very high90.3Very high134 Ų13489.5 Ų89.563%0.62648%0.481SS*.Hα-helixtrans-55.8-42.8177.2-88.3-175.1-9.200112.4D559 V567D559-Q563 WeakPolarHBondContact O-CB 3.33Å; D559-Q563 PolarHBondContact O-N 2.96Å; Q563-V567 WeakPolarHBondContact O-CG2 3.49Å; Q563-V567 PolarHBondContact O-N 3.1Å
564R93.3Very high90.3Very high53 Ų5387.6 Ų87.620%0.246%0.462CS..Hα-helixtrans-64.1-44.3178.5176.760.3-178.7178.92.8111.8Q530 D531 K560 L561 I562 V567 R568Q530-R564 HydrophobicContact CB-CB 4.37Å; Q530-R564 HydrophobicContact CB-CG 3.83Å; Q530-R564 VanDerWaalsContact OE1-CB 3.31Å; Q530-R564 VanDerWaalsContact OE1-CG 3.29Å; D531-R564 IonicContact OD1-CZ 3.84Å; D531-R564 IonicContact OD1-NE 3.76Å; D531-R564 PolarHBondContact OD1-NE 2.97Å; D531-R564 IonicContact OD1-NH2 3.45Å; D531-R564 PolarHBondContact OD1-NH2 3.23Å; D531-R564 IonicContact OD2-CZ 3.41Å; D531-R564 IonicContact OD2-NE 3.16Å; D531-R564 IonicContact OD2-NH2 3.54Å; D531-R564 PolarHBondContact OD2-NH2 3.28Å; K560-R564 PolarHBondContact O-N 3.23Å; L561-R564 PolarHBondContact O-N 3.37Å; I562-R564 VanDerWaalsContact C-N 3.28Å; I562-R564 PolarHBondContact O-N 2.88Å; R564-V567 PolarHBondContact O-N 3.45Å; R564-R568 PolarHBondContact O-N 3.39Å
565W93.9Very high90.3Very high64 Ų6490 Ų9024%0.24247%0.469CS..Hα-helixtrans-71.5-37.3-177-58.4-20.9000112Q530 I533 G534 V537 L561 I562 V567 R568 G569Q530-W565 PolarHBondContact O-NE1 2.79Å; I533-W565 HydrophobicContact CB-CZ2 4.31Å; I533-W565 HydrophobicContact CG2-CH2 4.12Å; I533-W565 HydrophobicContact CG2-CZ2 3.77Å; G534-W565 VanDerWaalsContact CA-CE2 3.44Å; V537-W565 HydrophobicContact CG2-CH2 4.35Å; L561-W565 HydrophobicContact CB-CD2 4.34Å; L561-W565 HydrophobicContact CB-CE3 4.43Å; L561-W565 HydrophobicContact CB-CH2 3.88Å; L561-W565 HydrophobicContact CB-CZ2 3.73Å; L561-W565 HydrophobicContact CB-CZ3 4.23Å; L561-W565 HydrophobicContact CD1-CH2 3.86Å; L561-W565 HydrophobicContact CD1-CZ2 3.76Å; L561-W565 HydrophobicContact CD2-CZ2 4.2Å; L561-W565 HydrophobicContact CG-CH2 4.43Å; L561-W565 HydrophobicContact CG-CZ2 4.1Å; L561-W565 WeakPolarHBondContact O-CB 3.4Å; L561-W565 VanDerWaalsContact O-CD2 3.26Å; L561-W565 PolarHBondContact O-N 3.28Å; I562-W565 PolarHBondContact O-N 3.31Å; I562-W565 VanDerWaalsContact O-N 3.14Å; W565-V567 VanDerWaalsContact C-N 3.28Å; W565-V567 PolarHBondContact O-N 3.47Å; W565-R568 PolarHBondContact O-N 2.89Å; W565-G569 PolarHBondContact O-N 3.44Å
566E93.4Very high90.4Very high149 Ų14982.6 Ų82.670%0.69645%0.448SS*.Hα-helixtrans-60.3-37.7173.4-74.3179.4164.300112.6I562I562-E566 HydrophobicContact CG2-CG 4.22Å; I562-E566 WeakPolarHBondContact O-CG 3.39Å; I562-E566 PolarHBondContact O-N 3.22Å
567V88.5Confident90.4Very high123 Ų12382.7 Ų82.775%0.74544%0.439SS*.Hα-helixtrans-71.8-33.7177.8172.10000112.1Q563 R564 W565Q563-V567 WeakPolarHBondContact O-CG2 3.49Å; Q563-V567 PolarHBondContact O-N 3.1Å; R564-V567 PolarHBondContact O-N 3.45Å; W565-V567 VanDerWaalsContact C-N 3.28Å; W565-V567 PolarHBondContact O-N 3.47Å
568R82.1Confident90.3Very high148 Ų14888.7 Ų88.756%0.55847%0.471SS*.Hα-helixtrans-85-22.2-175.4-147.5-164.5-176.9-170.35.5113.3D531 R564 W565D531-R568 IonicContact OD2-CZ 3.62Å; D531-R568 IonicContact OD2-NE 3.15Å; D531-R568 IonicContact OD2-NH1 3.95Å; D531-R568 IonicContact OD2-NH2 2.88Å; R564-R568 PolarHBondContact O-N 3.39Å; W565-R568 PolarHBondContact O-N 2.89Å
569G71.8Confident90Very high113 Ų11391.4 Ų91.4100%1.16549%0.485SS*.  trans73.50-165.600000111.5W565W565-G569 PolarHBondContact O-N 3.44Å

Retrieved 569 of 569 residues in 177.7 ms (Link to these results)

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