A0A3Q0KME9_SCHMA Loading...

Putative x-ray repair cross complementing protein

AlphaFold DB , UniProt , Accession A0A3Q0KME9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 229 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
1M60.6Low88Confident151 Ų15172.3 Ų72.374%0.74436%0.361SS*.  0105.80-169.5-177.1-168.800106.4H21 S24M1-H21 HydrophobicContact CE-CB 3.35Å; M1-H21 HydrophobicContact CG-CB 4.15Å; M1-H21 HydrophobicContact SD-CB 4.22Å; M1-S24 WeakPolarHBondContact CE-OG 3.41Å
2Q79.7Confident88.2Confident136 Ų13674.9 Ų74.964%0.63638%0.377SS*.  trans-75.1129.4-173.3-162176.515.300109.8
3I87.2Confident88.5Confident14 Ų1473.8 Ų73.87%0.07240%0.396CS..EExtended strand (participates in β ladder)trans-81.5120.5173.7-62.8168.3000106.8L5 C6 V19 I122 N125I3-L5 VanDerWaalsContact CG2-O 3.3Å; I3-L5 WeakPolarHBondContact CG2-O 3.2Å; I3-C6 HydrophobicContact CG2-CB 4.15Å; I3-V19 HydrophobicContact CB-CG1 4.25Å; I3-V19 HydrophobicContact CD1-CG1 3.79Å; I3-V19 HydrophobicContact CG1-CG1 3.67Å; I3-V19 HydrophobicContact CG2-CG1 3.68Å; I3-I122 HydrophobicContact CD1-CG1 4.06Å; I3-N125 HydrophobicContact CB-CB 4.19Å; I3-N125 WeakPolarHBondContact CB-ND2 2.94Å; I3-N125 HydrophobicContact CD1-CB 3.9Å; I3-N125 HydrophobicContact CG1-CB 4.2Å; I3-N125 PolarHBondContact N-OD1 2.93Å; I3-N125 PolarHBondContact O-ND2 3.32Å
4K90.2Very high89Confident94 Ų9469.4 Ų69.441%0.40937%0.371SS..EExtended strand (participates in β ladder)trans-83.3-41.8179-71.9-171.1178.2178.80111.4Y20 E22K4-Y20 HydrophobicContact CB-CD1 3.63Å; K4-Y20 HydrophobicContact CB-CE1 3.94Å; K4-Y20 HydrophobicContact CD-CD1 4.45Å; K4-Y20 HydrophobicContact CD-CE1 3.9Å; K4-Y20 HydrophobicContact CG-CE1 4.48Å; K4-Y20 PolarHBondContact N-O 3.15Å; K4-E22 IonicContact NZ-OE1 2.8Å; K4-E22 PolarHBondContact NZ-OE1 2.99Å
5L91.7Very high89.4Confident57 Ų5768 Ų6830%0.29837%0.366SS..EExtended strand (participates in β ladder)trans-141.5145.6177.9-62.1167.3000109.6I3 F18 Y20I3-L5 VanDerWaalsContact CG2-O 3.3Å; I3-L5 WeakPolarHBondContact CG2-O 3.2Å; L5-F18 HydrophobicContact CB-CE1 4.39Å; L5-Y20 HydrophobicContact CB-CD1 4.36Å; L5-Y20 HydrophobicContact CD1-CD1 4.11Å; L5-Y20 HydrophobicContact CG-CD1 4.27Å; L5-Y20 PolarHBondContact N-O 3.38Å; L5-Y20 PolarHBondContact O-N 3.22Å
6C92.4Very high89.9Confident63 Ų6363.8 Ų63.843%0.42634%0.343SS..EExtended strand (participates in β ladder)trans-140140173.3-174.90000107.8I3 F18I3-C6 HydrophobicContact CG2-CB 4.15Å; C6-F18 WeakPolarHBondContact CA-O 3.36Å
7G92.4Very high90.2Very high8 Ų861.7 Ų61.78%0.08233%0.332CS..EExtended strand (participates in β ladder)trans-150.6156.7176.200000110.9I17 F18G7-I17 WeakPolarHBondContact O-CA 3.5Å; G7-F18 PolarHBondContact N-O 3.34Å; G7-F18 PolarHBondContact O-N 2.94Å
8D94Very high90.5Very high106 Ų10658.3 Ų58.357%0.56731%0.313SS*.EExtended strand (participates in β ladder)trans-135.3152.8175.672.2-69.3000111.1V16 I17D8-V16 CarbonylContact C-O 3.59Å; D8-V16 WeakPolarHBondContact CA-O 3.41Å; D8-I17 HydrophobicContact CB-CG1 4.29Å
9A94.3Very high90.7Very high4 Ų455.4 Ų55.43%0.03330%0.298CS..EExtended strand (participates in β ladder)trans-151.8148.4176.300000111I11 V16 F66 P71A9-I11 HydrophobicContact CB-CD1 4.03Å; A9-I11 HydrophobicContact CB-CG1 4.18Å; A9-V16 PolarHBondContact N-O 3.19Å; A9-V16 PolarHBondContact O-N 3.49Å; A9-F66 HydrophobicContact CB-CD1 3.66Å; A9-F66 HydrophobicContact CB-CE1 4.05Å; A9-P71 HydrophobicContact CB-CB 3.63Å; A9-P71 HydrophobicContact CB-CG 4.04Å
10K93.5Very high90.8Very high162 Ų16253 Ų5370%0.70428%0.284SS*.EExtended strand (participates in β ladder)trans-93.8118.9169.1-70.9-173.7179.6179.70110.2Y14K10-Y14 CarbonylContact C-O 3.51Å; K10-Y14 VanDerWaalsContact CA-O 3.32Å; K10-Y14 WeakPolarHBondContact CA-O 3.49Å
11I92.6Very high90.8Very high0 Ų050.8 Ų50.80%027%0.272CS..EExtended strand (participates in β ladder)trans-136.4121.9-175.2-58.3158.2000108.6A9 G13 Y14 V16 F75 L77 F86A9-I11 HydrophobicContact CB-CD1 4.03Å; A9-I11 HydrophobicContact CB-CG1 4.18Å; I11-G13 PolarHBondContact O-N 3.13Å; I11-Y14 PolarHBondContact N-O 3.46Å; I11-Y14 WeakPolarHBondContact O-CB 3.46Å; I11-Y14 PolarHBondContact O-N 2.64Å; I11-V16 HydrophobicContact CD1-CB 4.27Å; I11-V16 HydrophobicContact CD1-CG2 4.03Å; I11-F75 HydrophobicContact CD1-CB 3.4Å; I11-F75 VanDerWaalsContact CD1-CB 3.4Å; I11-F75 HydrophobicContact CD1-CD2 3.95Å; I11-F75 HydrophobicContact CD1-CG 3.9Å; I11-F75 HydrophobicContact CG1-CB 4.18Å; I11-L77 HydrophobicContact CG2-CB 4.11Å; I11-F86 HydrophobicContact CD1-CE2 3.75Å
12N90.1Very high91.9Very high104 Ų10448.9 Ų48.956%0.55626%0.262SS*.THydrogen-bonded Turntrans50.932.5180-63.8-14.6000114.3Y14 L77N12-Y14 VanDerWaalsContact C-N 3.28Å; N12-Y14 WeakPolarHBondContact O-CD2 3.34Å; N12-Y14 PolarHBondContact O-N 2.87Å; N12-L77 PolarHBondContact ND2-O 3.36Å
13G92.1Very high92.3Very high60 Ų6046.5 Ų46.562%0.61925%0.253SS*.THydrogen-bonded Turntrans79.32.2-177.300000115.2I11I11-G13 PolarHBondContact O-N 3.13Å
14Y95.2Very high92.6Very high12 Ų1246.5 Ų46.55%0.04725%0.254CS..EExtended strand (participates in β ladder)trans-91.7140.4169.3-68.5-98.8000110.1K10 I11 N12 A29 I30 K31 W35 L77 E79 L84K10-Y14 CarbonylContact C-O 3.51Å; K10-Y14 VanDerWaalsContact CA-O 3.32Å; K10-Y14 WeakPolarHBondContact CA-O 3.49Å; I11-Y14 PolarHBondContact N-O 3.46Å; I11-Y14 WeakPolarHBondContact O-CB 3.46Å; I11-Y14 PolarHBondContact O-N 2.64Å; N12-Y14 VanDerWaalsContact C-N 3.28Å; N12-Y14 WeakPolarHBondContact O-CD2 3.34Å; N12-Y14 PolarHBondContact O-N 2.87Å; Y14-A29 HydrophobicContact CD1-CB 4.28Å; Y14-I30 CarbonylContact C-O 3.57Å; Y14-I30 WeakPolarHBondContact CA-O 3.47Å; Y14-K31 HydrophobicContact CD1-CB 3.44Å; Y14-K31 VanDerWaalsContact CD1-CB 3.44Å; Y14-K31 HydrophobicContact CD1-CD 4.05Å; Y14-K31 HydrophobicContact CD1-CG 4.39Å; Y14-K31 HydrophobicContact CD2-CD 3.86Å; Y14-K31 HydrophobicContact CE1-CB 3.58Å; Y14-K31 HydrophobicContact CE1-CD 3.82Å; Y14-K31 HydrophobicContact CE1-CG 4.38Å; Y14-K31 HydrophobicContact CE2-CD 3.67Å; Y14-K31 HydrophobicContact CG-CB 4.01Å; Y14-K31 HydrophobicContact CG-CD 4.06Å; Y14-W35 HydrophobicContact CE1-CE3 4.12Å; Y14-W35 HydrophobicContact CE1-CH2 4.31Å; Y14-W35 AromaticContact CE1-CZ3 3.78Å; Y14-W35 HydrophobicContact CE1-CZ3 3.78Å; Y14-L77 HydrophobicContact CD1-CD2 3.89Å; Y14-L77 HydrophobicContact CD2-CD2 3.39Å; Y14-L77 HydrophobicContact CE1-CD2 4.45Å; Y14-L77 HydrophobicContact CE2-CD2 4Å; Y14-L77 HydrophobicContact CG-CD2 3.32Å; Y14-E79 PolarHBondContact OH-OE1 3.46Å; Y14-L84 HydrophobicContact CD1-CD1 4.04Å; Y14-L84 HydrophobicContact CE1-CD1 3.62Å
15T95.5Very high92.8Very high49 Ų4942 Ų4230%0.30124%0.235SC..EExtended strand (participates in β ladder)trans-86.7112.7161.6-59.60000107.5I17 A29 I30T15-I17 HydrophobicContact CG2-CG1 4.39Å; T15-A29 CarbonylContact O-C 3.51Å; T15-A29 WeakPolarHBondContact O-CA 3.38Å; T15-I30 PolarHBondContact N-O 3.49Å; T15-I30 PolarHBondContact O-N 3.02Å
16V96.3Very high93Very high0 Ų040 Ų400%023%0.226CC..EExtended strand (participates in β ladder)trans-102.4127.4177.5-175.90000108.5D8 A9 I11 V27 T28 A29 F66 L77 F86D8-V16 CarbonylContact C-O 3.59Å; D8-V16 WeakPolarHBondContact CA-O 3.41Å; A9-V16 PolarHBondContact N-O 3.19Å; A9-V16 PolarHBondContact O-N 3.49Å; I11-V16 HydrophobicContact CD1-CB 4.27Å; I11-V16 HydrophobicContact CD1-CG2 4.03Å; V16-V27 HydrophobicContact CG1-CG1 3.82Å; V16-T28 CarbonylContact C-O 3.54Å; V16-T28 WeakPolarHBondContact CA-O 3.07Å; V16-A29 HydrophobicContact CG2-CB 4.19Å; V16-F66 HydrophobicContact CB-CE1 4.39Å; V16-F66 HydrophobicContact CG1-CE1 4.06Å; V16-F66 HydrophobicContact CG1-CZ 4.15Å; V16-L77 HydrophobicContact CG2-CD2 4.31Å; V16-F86 HydrophobicContact CG1-CD2 4.4Å; V16-F86 HydrophobicContact CG1-CE2 4Å; V16-F86 HydrophobicContact CG1-CZ 4.13Å
17I95.8Very high93.1Very high29 Ų2937 Ų3715%0.14921%0.206CC..EExtended strand (participates in β ladder)trans-114.5131176.3-56.8172.3000107.6G7 D8 T15 V19 V27 T28 I30 L118G7-I17 WeakPolarHBondContact O-CA 3.5Å; D8-I17 HydrophobicContact CB-CG1 4.29Å; T15-I17 HydrophobicContact CG2-CG1 4.39Å; I17-V19 HydrophobicContact CG2-CG2 4.18Å; I17-V27 WeakPolarHBondContact O-CA 3.41Å; I17-T28 PolarHBondContact N-O 2.83Å; I17-T28 PolarHBondContact O-N 3.18Å; I17-I30 HydrophobicContact CD1-CD1 4.04Å; I17-L118 HydrophobicContact CD1-CD2 4.14Å
18F94.8Very high93.3Very high0 Ų036.8 Ų36.80%020%0.203CC..EExtended strand (participates in β ladder)trans-113.7134.9173159.9-94.4000109.4L5 C6 G7 Y20 I25 S26 V27 L62 F66L5-F18 HydrophobicContact CB-CE1 4.39Å; C6-F18 WeakPolarHBondContact CA-O 3.36Å; G7-F18 PolarHBondContact N-O 3.34Å; G7-F18 PolarHBondContact O-N 2.94Å; F18-Y20 HydrophobicContact CZ-CG 4.44Å; F18-I25 HydrophobicContact CD2-CG2 3.61Å; F18-I25 HydrophobicContact CE2-CB 3.99Å; F18-I25 HydrophobicContact CE2-CD1 3.84Å; F18-I25 HydrophobicContact CE2-CG1 3.66Å; F18-I25 HydrophobicContact CE2-CG2 3.29Å; F18-I25 HydrophobicContact CZ-CD1 4.29Å; F18-I25 HydrophobicContact CZ-CG1 4.14Å; F18-I25 HydrophobicContact CZ-CG2 4.48Å; F18-S26 WeakPolarHBondContact CA-O 3.43Å; F18-V27 HydrophobicContact CD2-CG2 4.29Å; F18-L62 HydrophobicContact CD2-CD2 3.83Å; F18-L62 HydrophobicContact CD2-CG 4.39Å; F18-L62 HydrophobicContact CE1-CD2 4.48Å; F18-L62 HydrophobicContact CE2-CD2 3.25Å; F18-L62 HydrophobicContact CE2-CG 4.04Å; F18-L62 HydrophobicContact CZ-CD2 3.61Å; F18-L62 HydrophobicContact CZ-CG 4.09Å; F18-F66 HydrophobicContact CB-CD2 4.14Å; F18-F66 HydrophobicContact CB-CE1 4.09Å; F18-F66 HydrophobicContact CB-CE2 3.54Å; F18-F66 HydrophobicContact CB-CZ 3.51Å; F18-F66 HydrophobicContact CG-CD2 4.43Å; F18-F66 AromaticContact CG-CE2 3.98Å; F18-F66 HydrophobicContact CG-CE2 3.98Å; F18-F66 HydrophobicContact CG-CZ 4.43Å
19V94.7Very high93.5Very high3 Ų331.8 Ų31.82%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-129.6122.8175-176.90000108.6I3 I17 S26 L118 I122I3-V19 HydrophobicContact CB-CG1 4.25Å; I3-V19 HydrophobicContact CD1-CG1 3.79Å; I3-V19 HydrophobicContact CG1-CG1 3.67Å; I3-V19 HydrophobicContact CG2-CG1 3.68Å; I17-V19 HydrophobicContact CG2-CG2 4.18Å; V19-S26 PolarHBondContact N-O 2.73Å; V19-S26 PolarHBondContact O-N 3.13Å; V19-L118 HydrophobicContact CG2-CD1 3.87Å; V19-I122 HydrophobicContact CG2-CD1 4.43Å
20Y93.8Very high93.6Very high7 Ų733.6 Ų33.63%0.02719%0.185CC..EExtended strand (participates in β ladder)trans-101.5121.7172.9179.1-131.2000110.3K4 L5 F18 E22 S24 I25 L44 T59K4-Y20 HydrophobicContact CB-CD1 3.63Å; K4-Y20 HydrophobicContact CB-CE1 3.94Å; K4-Y20 HydrophobicContact CD-CD1 4.45Å; K4-Y20 HydrophobicContact CD-CE1 3.9Å; K4-Y20 HydrophobicContact CG-CE1 4.48Å; K4-Y20 PolarHBondContact N-O 3.15Å; L5-Y20 HydrophobicContact CB-CD1 4.36Å; L5-Y20 HydrophobicContact CD1-CD1 4.11Å; L5-Y20 HydrophobicContact CG-CD1 4.27Å; L5-Y20 PolarHBondContact N-O 3.38Å; L5-Y20 PolarHBondContact O-N 3.22Å; F18-Y20 HydrophobicContact CZ-CG 4.44Å; Y20-E22 PolarHBondContact OH-O 3.07Å; Y20-S24 WeakPolarHBondContact CD2-O 3.32Å; Y20-I25 HydrophobicContact CD2-CG1 3.74Å; Y20-I25 HydrophobicContact CE2-CG1 4.45Å; Y20-L44 HydrophobicContact CE2-CD2 4.1Å; Y20-T59 HydrophobicContact CD1-CG2 4.06Å; Y20-T59 HydrophobicContact CD2-CG2 3.7Å; Y20-T59 HydrophobicContact CE1-CG2 3.81Å; Y20-T59 HydrophobicContact CE2-CG2 3.43Å; Y20-T59 VanDerWaalsContact CE2-CG2 3.43Å; Y20-T59 HydrophobicContact CG-CG2 4.03Å
21H89.8Confident93.6Very high7 Ų730.5 Ų30.53%0.03217%0.171CC..EExtended strand (participates in β ladder)trans-104166.8166.1-54.7-79.8000109.4M1 N23 S24M1-H21 HydrophobicContact CE-CB 3.35Å; M1-H21 HydrophobicContact CG-CB 4.15Å; M1-H21 HydrophobicContact SD-CB 4.22Å; H21-N23 PolarHBondContact O-N 3.01Å; H21-S24 PolarHBondContact N-O 2.57Å; H21-S24 PolarHBondContact O-N 3.49Å; H21-S24 VanDerWaalsContact O-O 3.08Å
22E84.5Confident93.4Very high112 Ų11238.2 Ų38.252%0.52321%0.212SC..THydrogen-bonded Turntrans-45.3-38.5-176.2-179.7147.1-117.300115.9K4 Y20K4-E22 IonicContact NZ-OE1 2.8Å; K4-E22 PolarHBondContact NZ-OE1 2.99Å; Y20-E22 PolarHBondContact OH-O 3.07Å
23N88.1Confident93.6Very high85 Ų8534.4 Ų34.446%0.45520%0.198SC..THydrogen-bonded Turntrans-129.813.8-174.9-67.5-34.2000113.4H21 D40 S41 R55H21-N23 PolarHBondContact O-N 3.01Å; N23-D40 CarbonylContact O-C 3.5Å; N23-S41 VanDerWaalsContact O-CA 3.24Å; N23-S41 WeakPolarHBondContact O-CA 3.38Å; N23-S41 WeakPolarHBondContact O-CB 3.49Å; N23-S41 PolarHBondContact O-N 2.99Å; N23-R55 PolarHBondContact OD1-NH1 3.37Å
24S93.5Very high93.8Very high14 Ų1432 Ų3210%0.09817%0.171CC..EExtended strand (participates in β ladder)trans-154.7154.7179.765.50000112.7M1 Y20 H21 V39M1-S24 WeakPolarHBondContact CE-OG 3.41Å; Y20-S24 WeakPolarHBondContact CD2-O 3.32Å; H21-S24 PolarHBondContact N-O 2.57Å; H21-S24 PolarHBondContact O-N 3.49Å; H21-S24 VanDerWaalsContact O-O 3.08Å; S24-V39 CarbonylContact C-O 3.57Å; S24-V39 WeakPolarHBondContact CA-O 3.32Å; S24-V39 VanDerWaalsContact CB-O 3.25Å; S24-V39 WeakPolarHBondContact CB-O 3.43Å
25I94.8Very high93.8Very high0 Ų033.5 Ų33.50%018%0.176CC..EExtended strand (participates in β ladder)trans-116.3127.9172.3-74.4173.8000108.1F18 Y20 V27 V38 V39 L44 Y58 T59 L62F18-I25 HydrophobicContact CD2-CG2 3.61Å; F18-I25 HydrophobicContact CE2-CB 3.99Å; F18-I25 HydrophobicContact CE2-CD1 3.84Å; F18-I25 HydrophobicContact CE2-CG1 3.66Å; F18-I25 HydrophobicContact CE2-CG2 3.29Å; F18-I25 HydrophobicContact CZ-CD1 4.29Å; F18-I25 HydrophobicContact CZ-CG1 4.14Å; F18-I25 HydrophobicContact CZ-CG2 4.48Å; Y20-I25 HydrophobicContact CD2-CG1 3.74Å; Y20-I25 HydrophobicContact CE2-CG1 4.45Å; I25-V27 HydrophobicContact CG2-CG2 3.78Å; I25-V38 CarbonylContact O-C 3.41Å; I25-V38 WeakPolarHBondContact O-CA 3.33Å; I25-V39 HydrophobicContact CB-CB 4.22Å; I25-V39 PolarHBondContact N-O 3.37Å; I25-V39 PolarHBondContact O-N 2.86Å; I25-L44 HydrophobicContact CD1-CD1 3.47Å; I25-L44 VanDerWaalsContact CD1-CD1 3.47Å; I25-L44 HydrophobicContact CD1-CD2 4.2Å; I25-L44 HydrophobicContact CD1-CG 4.46Å; I25-L44 HydrophobicContact CG1-CD1 4.36Å; I25-L44 HydrophobicContact CG1-CD2 4.29Å; I25-Y58 HydrophobicContact CD1-CE1 4.19Å; I25-T59 HydrophobicContact CD1-CG2 4.26Å; I25-L62 HydrophobicContact CD1-CD2 4.06Å
26S94.4Very high93.9Very high15 Ų1534 Ų3411%0.10518%0.175CC..EExtended strand (participates in β ladder)trans-108.7127.4173.3-70.10000108.7F18 V19 T37F18-S26 WeakPolarHBondContact CA-O 3.43Å; V19-S26 PolarHBondContact N-O 2.73Å; V19-S26 PolarHBondContact O-N 3.13Å; S26-T37 WeakPolarHBondContact CA-O 3.24Å
27V95.9Very high93.8Very high0 Ų035.4 Ų35.40%018%0.184CC..EExtended strand (participates in β ladder)trans-122.7125.1175.9-169.10000109V16 I17 F18 I25 H36 T37 F86 F103 L105V16-V27 HydrophobicContact CG1-CG1 3.82Å; I17-V27 WeakPolarHBondContact O-CA 3.41Å; F18-V27 HydrophobicContact CD2-CG2 4.29Å; I25-V27 HydrophobicContact CG2-CG2 3.78Å; V27-H36 CarbonylContact O-C 3.6Å; V27-H36 WeakPolarHBondContact O-CA 3.39Å; V27-H36 PolarHBondContact O-ND1 2.91Å; V27-T37 HydrophobicContact CB-CG2 4.19Å; V27-T37 PolarHBondContact N-O 3.43Å; V27-T37 PolarHBondContact O-N 3.06Å; V27-F86 HydrophobicContact CG1-CD1 3.84Å; V27-F86 HydrophobicContact CG1-CE1 4.05Å; V27-F86 HydrophobicContact CG1-CG 4.47Å; V27-F103 HydrophobicContact CG2-CG 4.47Å; V27-L105 HydrophobicContact CG1-CD1 4.43Å; V27-L105 HydrophobicContact CG1-CD2 4.12Å
28T96.7Very high93.8Very high4 Ų437.8 Ų37.83%0.02520%0.2CC..EExtended strand (participates in β ladder)trans-123.8129.7-179.5-53.50000109.5V16 I17 I30 L34 W35 H36 L118V16-T28 CarbonylContact C-O 3.54Å; V16-T28 WeakPolarHBondContact CA-O 3.07Å; I17-T28 PolarHBondContact N-O 2.83Å; I17-T28 PolarHBondContact O-N 3.18Å; T28-I30 HydrophobicContact CG2-CD1 4.44Å; T28-I30 HydrophobicContact CG2-CG1 4.1Å; T28-L34 HydrophobicContact CG2-CD1 4.02Å; T28-L34 HydrophobicContact CG2-CD2 4.06Å; T28-L34 HydrophobicContact CG2-CG 3.86Å; T28-W35 CarbonylContact C-O 3.56Å; T28-W35 VanDerWaalsContact CA-O 3.31Å; T28-W35 WeakPolarHBondContact CA-O 3.37Å; T28-H36 PolarHBondContact OG1-ND1 3.25Å; T28-L118 HydrophobicContact CG2-CD2 4.15Å
29A97Very high93.8Very high0 Ų038.3 Ų38.30%020%0.203CC..EExtended strand (participates in β ladder)trans-114.9133.1173.900000110.2Y14 T15 V16 W35 L77 L84 L105Y14-A29 HydrophobicContact CD1-CB 4.28Å; T15-A29 CarbonylContact O-C 3.51Å; T15-A29 WeakPolarHBondContact O-CA 3.38Å; V16-A29 HydrophobicContact CG2-CB 4.19Å; A29-W35 PolarHBondContact N-O 3.2Å; A29-W35 PolarHBondContact O-N 3.44Å; A29-L77 HydrophobicContact CB-CD2 4.43Å; A29-L84 HydrophobicContact CB-CD1 3.93Å; A29-L105 HydrophobicContact CB-CD2 3.58Å
30I95.9Very high93.8Very high43 Ų4342.6 Ų42.622%0.22123%0.225CC..EExtended strand (participates in β ladder)trans-127.8129.5-173.7-53.5172.5000109.3Y14 T15 I17 T28 L34 L115Y14-I30 CarbonylContact C-O 3.57Å; Y14-I30 WeakPolarHBondContact CA-O 3.47Å; T15-I30 PolarHBondContact N-O 3.49Å; T15-I30 PolarHBondContact O-N 3.02Å; I17-I30 HydrophobicContact CD1-CD1 4.04Å; T28-I30 HydrophobicContact CG2-CD1 4.44Å; T28-I30 HydrophobicContact CG2-CG1 4.1Å; I30-L34 HydrophobicContact CG1-CD1 4.39Å; I30-L115 HydrophobicContact CD1-CD1 3.88Å
31K93.4Very high93.8Very high97 Ų9744 Ų4442%0.42224%0.237SC..SBendtrans-148-92.8171.7-175.4177.6-179.5179.30110.6Y14 G33Y14-K31 HydrophobicContact CD1-CB 3.44Å; Y14-K31 VanDerWaalsContact CD1-CB 3.44Å; Y14-K31 HydrophobicContact CD1-CD 4.05Å; Y14-K31 HydrophobicContact CD1-CG 4.39Å; Y14-K31 HydrophobicContact CD2-CD 3.86Å; Y14-K31 HydrophobicContact CE1-CB 3.58Å; Y14-K31 HydrophobicContact CE1-CD 3.82Å; Y14-K31 HydrophobicContact CE1-CG 4.38Å; Y14-K31 HydrophobicContact CE2-CD 3.67Å; Y14-K31 HydrophobicContact CG-CB 4.01Å; Y14-K31 HydrophobicContact CG-CD 4.06Å; K31-G33 PolarHBondContact N-O 3.36Å; K31-G33 VanDerWaalsContact N-O 3.13Å
32N89.9Confident94.1Very high161 Ų16146.6 Ų46.686%0.86126%0.259SS*.SBendtrans-104.49.2171.4-63.7-8.2000112
33G93Very high94.6Very high25 Ų2546.1 Ų46.126%0.25826%0.255SS..SBendtrans-164.4-177.8-179.800000108.2K31 W35K31-G33 PolarHBondContact N-O 3.36Å; K31-G33 VanDerWaalsContact N-O 3.13Å; G33-W35 WeakPolarHBondContact O-CZ3 3.43Å
34L95.9Very high94.8Very high9 Ų942.1 Ų42.15%0.04723%0.234CC..EExtended strand (participates in β ladder)trans-124.6128.4178-172.5146.9000109T28 I30 H36 S108 P111 L115T28-L34 HydrophobicContact CG2-CD1 4.02Å; T28-L34 HydrophobicContact CG2-CD2 4.06Å; T28-L34 HydrophobicContact CG2-CG 3.86Å; I30-L34 HydrophobicContact CG1-CD1 4.39Å; L34-H36 HydrophobicContact CD2-CB 4.07Å; L34-S108 VanDerWaalsContact CD2-CB 3.44Å; L34-S108 PolarHBondContact O-N 2.8Å; L34-P111 HydrophobicContact CB-CB 3.82Å; L34-P111 HydrophobicContact CB-CG 4.41Å; L34-L115 HydrophobicContact CD1-CB 4.16Å
35W97.1Very high94.9Very high43 Ų4344.1 Ų44.116%0.16324%0.243CC..EExtended strand (participates in β ladder)trans-120.2141.8171.5-64.8-106.4000108.9Y14 T28 A29 G33 A82 L84 L105 K106Y14-W35 HydrophobicContact CE1-CE3 4.12Å; Y14-W35 HydrophobicContact CE1-CH2 4.31Å; Y14-W35 AromaticContact CE1-CZ3 3.78Å; Y14-W35 HydrophobicContact CE1-CZ3 3.78Å; T28-W35 CarbonylContact C-O 3.56Å; T28-W35 VanDerWaalsContact CA-O 3.31Å; T28-W35 WeakPolarHBondContact CA-O 3.37Å; A29-W35 PolarHBondContact N-O 3.2Å; A29-W35 PolarHBondContact O-N 3.44Å; G33-W35 WeakPolarHBondContact O-CZ3 3.43Å; W35-A82 PolarHBondContact NE1-O 2.7Å; W35-L84 HydrophobicContact CB-CD1 3.82Å; W35-L84 HydrophobicContact CB-CG 4.21Å; W35-L84 HydrophobicContact CD2-CD1 3.5Å; W35-L84 VanDerWaalsContact CD2-CD1 3.5Å; W35-L84 HydrophobicContact CD2-CG 3.9Å; W35-L84 HydrophobicContact CE3-CD1 3.74Å; W35-L84 HydrophobicContact CG-CD1 3.54Å; W35-L84 HydrophobicContact CG-CG 3.69Å; W35-L84 HydrophobicContact CZ3-CD1 4.49Å; W35-L105 HydrophobicContact CB-CB 3.73Å; W35-L105 HydrophobicContact CB-CD2 4.4Å; W35-K106 CarbonylContact C-O 3.57Å; W35-K106 WeakPolarHBondContact CA-O 3.46Å
36H95.6Very high94.9Very high60 Ų6049.2 Ų49.228%0.27827%0.267SS..EExtended strand (participates in β ladder)trans-146151.7-173.3-178.469.8000111.8V27 T28 L34 V38 K106V27-H36 CarbonylContact O-C 3.6Å; V27-H36 WeakPolarHBondContact O-CA 3.39Å; V27-H36 PolarHBondContact O-ND1 2.91Å; T28-H36 PolarHBondContact OG1-ND1 3.25Å; L34-H36 HydrophobicContact CD2-CB 4.07Å; H36-V38 WeakPolarHBondContact NE2-CG2 3.35Å; H36-K106 PolarHBondContact N-O 2.91Å; H36-K106 PolarHBondContact O-N 2.94Å
37T95.8Very high94.9Very high29 Ų2949.3 Ų49.318%0.17827%0.266CS..EExtended strand (participates in β ladder)trans-149.3149.7167.7-163.40000110.3S26 V27 F103 Y104 L105S26-T37 WeakPolarHBondContact CA-O 3.24Å; V27-T37 HydrophobicContact CB-CG2 4.19Å; V27-T37 PolarHBondContact N-O 3.43Å; V27-T37 PolarHBondContact O-N 3.06Å; T37-F103 HydrophobicContact CG2-CB 4.15Å; T37-Y104 VanDerWaalsContact CB-O 3.3Å; T37-Y104 WeakPolarHBondContact CB-O 3.46Å; T37-Y104 PolarHBondContact OG1-O 3.46Å; T37-L105 HydrophobicContact CG2-CD1 3.92Å; T37-L105 HydrophobicContact CG2-CG 3.96Å
38V94.8Very high94.9Very high80 Ų8049.5 Ų49.549%0.48527%0.268SS..EExtended strand (participates in β ladder)trans-117.7122.7170.6-1750000107.3I25 H36I25-V38 CarbonylContact O-C 3.41Å; I25-V38 WeakPolarHBondContact O-CA 3.33Å; H36-V38 WeakPolarHBondContact NE2-CG2 3.35Å
39V95.1Very high94.8Very high11 Ų1155.2 Ų55.27%0.06730%0.298CS..EExtended strand (participates in β ladder)trans-94.2112.8170.4-177.50000107.1S24 I25 K43 L44 L47 F103S24-V39 CarbonylContact C-O 3.57Å; S24-V39 WeakPolarHBondContact CA-O 3.32Å; S24-V39 VanDerWaalsContact CB-O 3.25Å; S24-V39 WeakPolarHBondContact CB-O 3.43Å; I25-V39 HydrophobicContact CB-CB 4.22Å; I25-V39 PolarHBondContact N-O 3.37Å; I25-V39 PolarHBondContact O-N 2.86Å; V39-K43 HydrophobicContact CG1-CB 3.76Å; V39-K43 HydrophobicContact CG1-CG 3.89Å; V39-L44 HydrophobicContact CG1-CB 4.21Å; V39-L47 HydrophobicContact CG1-CD1 4.28Å; V39-F103 HydrophobicContact CG2-CD1 3.5Å; V39-F103 VanDerWaalsContact CG2-CD1 3.5Å; V39-F103 HydrophobicContact CG2-CE1 3.73Å
40D94.8Very high94.7Very high92 Ų9261.7 Ų61.749%0.49233%0.332SS..  trans-71.2176.8176.164.527.4000112.3N23 A42 K43 L44N23-D40 CarbonylContact O-C 3.5Å; D40-A42 VanDerWaalsContact C-N 3.33Å; D40-A42 PolarHBondContact O-N 3.27Å; D40-A42 PolarHBondContact OD1-N 3.36Å; D40-K43 PolarHBondContact O-N 3.23Å; D40-K43 WeakPolarHBondContact OD1-CB 3.23Å; D40-K43 PolarHBondContact OD1-N 2.85Å; D40-L44 VanDerWaalsContact O-CB 3.29Å; D40-L44 WeakPolarHBondContact O-CB 3.31Å; D40-L44 PolarHBondContact O-N 2.86Å
41S94.6Very high94.5Very high38 Ų3861.1 Ų61.127%0.26633%0.331SS..Hα-helixtrans-60.7-42-177.8-173.30000112.4N23 L44 D45 R55N23-S41 VanDerWaalsContact O-CA 3.24Å; N23-S41 WeakPolarHBondContact O-CA 3.38Å; N23-S41 WeakPolarHBondContact O-CB 3.49Å; N23-S41 PolarHBondContact O-N 2.99Å; S41-L44 PolarHBondContact O-N 2.85Å; S41-D45 PolarHBondContact O-N 3.22Å; S41-D45 VanDerWaalsContact O-OD2 3.11Å; S41-R55 PolarHBondContact OG-NH2 3.48Å
42A94.9Very high94.6Very high61 Ų6165.8 Ų65.850%0.50435%0.351SS..Hα-helixtrans-64.8-46.1-176.100000110.4D40 L44 D45 E46D40-A42 VanDerWaalsContact C-N 3.33Å; D40-A42 PolarHBondContact O-N 3.27Å; D40-A42 PolarHBondContact OD1-N 3.36Å; A42-L44 VanDerWaalsContact C-N 3.33Å; A42-L44 PolarHBondContact O-N 2.98Å; A42-D45 PolarHBondContact O-N 3.39Å; A42-E46 PolarHBondContact O-N 2.87Å
43K94.5Very high94.9Very high102 Ų10259.8 Ų59.844%0.44332%0.318SS..Hα-helixtrans-69.7-33.3178.5-168.864.3-175.7173.90112.5V39 D40 E46 L47V39-K43 HydrophobicContact CG1-CB 3.76Å; V39-K43 HydrophobicContact CG1-CG 3.89Å; D40-K43 PolarHBondContact O-N 3.23Å; D40-K43 WeakPolarHBondContact OD1-CB 3.23Å; D40-K43 PolarHBondContact OD1-N 2.85Å; K43-E46 VanDerWaalsContact CD-OE2 3.28Å; K43-E46 WeakPolarHBondContact CD-OE2 3.5Å; K43-E46 IonicContact NZ-OE2 2.68Å; K43-E46 PolarHBondContact NZ-OE2 3.49Å; K43-E46 PolarHBondContact O-N 2.97Å; K43-L47 WeakPolarHBondContact O-CG 3.3Å; K43-L47 PolarHBondContact O-N 3.48Å; K43-L47 VanDerWaalsContact O-N 3.08Å
44L94.3Very high95Very high0 Ų062.9 Ų62.90%033%0.332CS..Hα-helixtrans-63.4-42.3173.3-179.854.7000111.5Y20 I25 V39 D40 S41 A42 L47 C48 R55 Y58Y20-L44 HydrophobicContact CE2-CD2 4.1Å; I25-L44 HydrophobicContact CD1-CD1 3.47Å; I25-L44 VanDerWaalsContact CD1-CD1 3.47Å; I25-L44 HydrophobicContact CD1-CD2 4.2Å; I25-L44 HydrophobicContact CD1-CG 4.46Å; I25-L44 HydrophobicContact CG1-CD1 4.36Å; I25-L44 HydrophobicContact CG1-CD2 4.29Å; V39-L44 HydrophobicContact CG1-CB 4.21Å; D40-L44 VanDerWaalsContact O-CB 3.29Å; D40-L44 WeakPolarHBondContact O-CB 3.31Å; D40-L44 PolarHBondContact O-N 2.86Å; S41-L44 PolarHBondContact O-N 2.85Å; A42-L44 VanDerWaalsContact C-N 3.33Å; A42-L44 PolarHBondContact O-N 2.98Å; L44-L47 PolarHBondContact O-N 3.2Å; L44-C48 PolarHBondContact O-N 3.38Å; L44-C48 PolarHBondContact O-SG 3.43Å; L44-R55 HydrophobicContact CD2-CG 3.93Å; L44-R55 HydrophobicContact CG-CG 4.29Å; L44-Y58 HydrophobicContact CD1-CD1 3.81Å; L44-Y58 HydrophobicContact CD1-CE1 3.8Å
45D94.7Very high94.8Very high56 Ų5665.3 Ų65.330%0.29934%0.34SS..Hα-helixtrans-65.5-41.9177.6-67.1-28.2000111.3S41 A42 L47 C48 D49 R55S41-D45 PolarHBondContact O-N 3.22Å; S41-D45 VanDerWaalsContact O-OD2 3.11Å; A42-D45 PolarHBondContact O-N 3.39Å; D45-L47 VanDerWaalsContact C-N 3.31Å; D45-L47 PolarHBondContact O-N 2.93Å; D45-C48 WeakPolarHBondContact O-CB 3.41Å; D45-C48 PolarHBondContact O-N 3.39Å; D45-C48 VanDerWaalsContact O-N 3.16Å; D45-D49 WeakPolarHBondContact O-CB 3.29Å; D45-D49 PolarHBondContact O-N 3.19Å; D45-R55 IonicContact OD1-CZ 3.31Å; D45-R55 VanDerWaalsContact OD1-CZ 3.31Å; D45-R55 IonicContact OD1-NE 3.11Å; D45-R55 PolarHBondContact OD1-NE 3.49Å; D45-R55 VanDerWaalsContact OD1-NE 3.11Å; D45-R55 IonicContact OD1-NH2 2.71Å; D45-R55 PolarHBondContact OD1-NH2 3.36Å; D45-R55 IonicContact OD2-NH2 2.85Å; D45-R55 PolarHBondContact OD2-NH2 3.05Å
46E95.1Very high94.6Very high108 Ų10868.6 Ų68.651%0.50536%0.361SS..Hα-helixtrans-56.7-42.7172.2-72.4177.6-164.600112.7A42 K43 L50A42-E46 PolarHBondContact O-N 2.87Å; K43-E46 VanDerWaalsContact CD-OE2 3.28Å; K43-E46 WeakPolarHBondContact CD-OE2 3.5Å; K43-E46 IonicContact NZ-OE2 2.68Å; K43-E46 PolarHBondContact NZ-OE2 3.49Å; K43-E46 PolarHBondContact O-N 2.97Å; E46-L50 WeakPolarHBondContact O-CB 3.47Å; E46-L50 PolarHBondContact O-N 3.45Å
47L94.3Very high94.6Very high16 Ų1670.6 Ų70.68%0.08437%0.37CS..Hα-helixtrans-65.5-42.6177.1-71.9171.4000111.3V39 K43 L44 D45 L50 V51 Y58 F103V39-L47 HydrophobicContact CG1-CD1 4.28Å; K43-L47 WeakPolarHBondContact O-CG 3.3Å; K43-L47 PolarHBondContact O-N 3.48Å; K43-L47 VanDerWaalsContact O-N 3.08Å; L44-L47 PolarHBondContact O-N 3.2Å; D45-L47 VanDerWaalsContact C-N 3.31Å; D45-L47 PolarHBondContact O-N 2.93Å; L47-L50 PolarHBondContact O-N 3.44Å; L47-V51 WeakPolarHBondContact O-CG2 3.49Å; L47-V51 PolarHBondContact O-N 3.02Å; L47-Y58 HydrophobicContact CB-CE2 4.35Å; L47-F103 HydrophobicContact CD1-CE1 3.87Å; L47-F103 HydrophobicContact CD1-CZ 4.35Å
48C94.9Very high94.6Very high4 Ų469.2 Ų69.23%0.02736%0.362CS..Hα-helixtrans-61.9-44.7177.7-68.60000111.7L44 D45 V51 K52 Q53L44-C48 PolarHBondContact O-N 3.38Å; L44-C48 PolarHBondContact O-SG 3.43Å; D45-C48 WeakPolarHBondContact O-CB 3.41Å; D45-C48 PolarHBondContact O-N 3.39Å; D45-C48 VanDerWaalsContact O-N 3.16Å; C48-V51 CarbonylContact O-C 3.6Å; C48-V51 PolarHBondContact O-N 2.85Å; C48-K52 WeakPolarHBondContact O-CA 3.38Å; C48-K52 PolarHBondContact O-N 3.26Å; C48-Q53 WeakPolarHBondContact CB-O 3.32Å; C48-Q53 PolarHBondContact O-N 3.41Å
49D95.4Very high94.5Very high124 Ų12465.6 Ų65.666%0.66334%0.34SS*.Hα-helixtrans-64.4-41.8178.3-75.7-16.9000111.7D45 V51 K52D45-D49 WeakPolarHBondContact O-CB 3.29Å; D45-D49 PolarHBondContact O-N 3.19Å; D49-V51 VanDerWaalsContact C-N 3.28Å; D49-V51 PolarHBondContact O-N 3.08Å; D49-K52 PolarHBondContact O-N 3.17Å; D49-K52 VanDerWaalsContact O-N 3.13Å
50L93.9Very high94.4Very high136 Ų13670.2 Ų70.271%0.71236%0.361SS*.Hα-helixtrans-58.3-40.6178.3-176.966.1000112E46 L47E46-L50 WeakPolarHBondContact O-CB 3.47Å; E46-L50 PolarHBondContact O-N 3.45Å; L47-L50 PolarHBondContact O-N 3.44Å
51V93.5Very high94.4Very high31 Ų3168 Ų6819%0.18835%0.349CS..THydrogen-bonded Turntrans-95.22.6179.6-55.30000113.7L47 C48 D49 Q53 Y58 F100L47-V51 WeakPolarHBondContact O-CG2 3.49Å; L47-V51 PolarHBondContact O-N 3.02Å; C48-V51 CarbonylContact O-C 3.6Å; C48-V51 PolarHBondContact O-N 2.85Å; D49-V51 VanDerWaalsContact C-N 3.28Å; D49-V51 PolarHBondContact O-N 3.08Å; V51-Q53 HydrophobicContact CG2-CB 3.94Å; V51-Q53 HydrophobicContact CG2-CG 3.83Å; V51-Q53 PolarHBondContact O-N 2.96Å; V51-Y58 HydrophobicContact CG2-CD2 3.66Å; V51-Y58 HydrophobicContact CG2-CE2 3.95Å; V51-F100 HydrophobicContact CB-CD1 4.37Å; V51-F100 HydrophobicContact CG1-CB 4.36Å; V51-F100 HydrophobicContact CG1-CD1 4.07Å; V51-F100 WeakPolarHBondContact CG1-O 3.45Å
52K95Very high94.4Very high196 Ų19666.1 Ų66.185%0.85234%0.336SS*.THydrogen-bonded Turntrans53.747.1-178-56.2-177.8179.6-1780113.1C48 D49C48-K52 WeakPolarHBondContact O-CA 3.38Å; C48-K52 PolarHBondContact O-N 3.26Å; D49-K52 PolarHBondContact O-N 3.17Å; D49-K52 VanDerWaalsContact O-N 3.13Å
53Q95.1Very high94.4Very high35 Ų3564 Ų6416%0.16432%0.318CS..  trans-118.5149.9175.9-67.7-177.7200110.8C48 V51 Q57 Y58 N61C48-Q53 WeakPolarHBondContact CB-O 3.32Å; C48-Q53 PolarHBondContact O-N 3.41Å; V51-Q53 HydrophobicContact CG2-CB 3.94Å; V51-Q53 HydrophobicContact CG2-CG 3.83Å; V51-Q53 PolarHBondContact O-N 2.96Å; Q53-Q57 HydrophobicContact CB-CB 4.43Å; Q53-Q57 HydrophobicContact CG-CG 4.47Å; Q53-Y58 VanDerWaalsContact OE1-CA 3.3Å; Q53-N61 PolarHBondContact NE2-ND2 3.1Å; Q53-N61 PolarHBondContact OE1-ND2 3.42Å; Q53-N61 VanDerWaalsContact OE1-ND2 3.08Å
54T94.9Very high94.3Very high90 Ų9064.1 Ų64.155%0.55232%0.32SS*.  trans-69.3155.6165.864.80000109.8N56 Q57 Y58T54-N56 VanDerWaalsContact C-N 3.28Å; T54-N56 PolarHBondContact O-N 2.91Å; T54-Q57 PolarHBondContact O-N 3.33Å; T54-Q57 WeakPolarHBondContact OG1-CB 3.29Å; T54-Q57 PolarHBondContact OG1-N 3.04Å; T54-Y58 PolarHBondContact O-N 2.99Å
55R93.1Very high94.3Very high59 Ų5965 Ų6522%0.22333%0.326CS..Hα-helixtrans-53.2-45.5178.9-165.9-176.5-69.8177.4-1.8112.4N23 S41 L44 D45 Q57 Y58 T59N23-R55 PolarHBondContact OD1-NH1 3.37Å; S41-R55 PolarHBondContact OG-NH2 3.48Å; L44-R55 HydrophobicContact CD2-CG 3.93Å; L44-R55 HydrophobicContact CG-CG 4.29Å; D45-R55 IonicContact OD1-CZ 3.31Å; D45-R55 VanDerWaalsContact OD1-CZ 3.31Å; D45-R55 IonicContact OD1-NE 3.11Å; D45-R55 PolarHBondContact OD1-NE 3.49Å; D45-R55 VanDerWaalsContact OD1-NE 3.11Å; D45-R55 IonicContact OD1-NH2 2.71Å; D45-R55 PolarHBondContact OD1-NH2 3.36Å; D45-R55 IonicContact OD2-NH2 2.85Å; D45-R55 PolarHBondContact OD2-NH2 3.05Å; R55-Q57 PolarHBondContact O-N 3.36Å; R55-Y58 PolarHBondContact O-N 3.25Å; R55-T59 HydrophobicContact CG-CG2 4.49Å; R55-T59 WeakPolarHBondContact O-CG2 3.47Å; R55-T59 PolarHBondContact O-N 2.97Å; R55-T59 PolarHBondContact O-OG1 3.47Å
56N92.8Very high94.2Very high113 Ų11362.6 Ų62.660%0.60431%0.313SS*.Hα-helixtrans-60-46.2177.5-71.2-14.7000111.9T54 T59 Q60T54-N56 VanDerWaalsContact C-N 3.28Å; T54-N56 PolarHBondContact O-N 2.91Å; N56-T59 PolarHBondContact O-N 3.27Å; N56-T59 PolarHBondContact O-OG1 3.32Å; N56-T59 VanDerWaalsContact O-OG1 3.05Å; N56-Q60 VanDerWaalsContact O-CB 3.22Å; N56-Q60 WeakPolarHBondContact O-CB 3.43Å; N56-Q60 PolarHBondContact O-N 2.96Å
57Q95.2Very high93.9Very high101 Ų10162.1 Ų62.147%0.47232%0.321SS..Hα-helixtrans-65.6-42.3179.4-173.6163.322.100111.8Q53 T54 R55 Q60 N61Q53-Q57 HydrophobicContact CB-CB 4.43Å; Q53-Q57 HydrophobicContact CG-CG 4.47Å; T54-Q57 PolarHBondContact O-N 3.33Å; T54-Q57 WeakPolarHBondContact OG1-CB 3.29Å; T54-Q57 PolarHBondContact OG1-N 3.04Å; R55-Q57 PolarHBondContact O-N 3.36Å; Q57-Q60 PolarHBondContact O-N 3.48Å; Q57-N61 VanDerWaalsContact O-CB 3.26Å; Q57-N61 WeakPolarHBondContact O-CB 3.38Å; Q57-N61 PolarHBondContact O-N 3Å; Q57-N61 PolarHBondContact O-ND2 2.97Å; Q57-N61 VanDerWaalsContact O-ND2 3.16Å
58Y95Very high93.7Very high0 Ų063.1 Ų63.10%033%0.33CS..Hα-helixtrans-59.1-49.9175.6-175.1-92.4000111.7I25 L44 L47 V51 Q53 T54 R55 N61 L62 W88 F100I25-Y58 HydrophobicContact CD1-CE1 4.19Å; L44-Y58 HydrophobicContact CD1-CD1 3.81Å; L44-Y58 HydrophobicContact CD1-CE1 3.8Å; L47-Y58 HydrophobicContact CB-CE2 4.35Å; V51-Y58 HydrophobicContact CG2-CD2 3.66Å; V51-Y58 HydrophobicContact CG2-CE2 3.95Å; Q53-Y58 VanDerWaalsContact OE1-CA 3.3Å; T54-Y58 PolarHBondContact O-N 2.99Å; R55-Y58 PolarHBondContact O-N 3.25Å; Y58-N61 PolarHBondContact O-N 2.73Å; Y58-L62 HydrophobicContact CE1-CD2 4.46Å; Y58-L62 WeakPolarHBondContact O-CB 3.32Å; Y58-L62 PolarHBondContact O-N 2.97Å; Y58-W88 HydrophobicContact CD2-CZ3 4.04Å; Y58-W88 HydrophobicContact CE1-CZ3 4.18Å; Y58-W88 HydrophobicContact CE2-CE3 4.31Å; Y58-W88 AromaticContact CE2-CZ3 3.65Å; Y58-W88 HydrophobicContact CE2-CZ3 3.65Å; Y58-W88 HydrophobicContact CG-CZ3 4.48Å; Y58-W88 AromaticContact CZ-CZ3 3.72Å; Y58-F100 PolarHBondContact OH-O 3.37Å
59T93.8Very high93.4Very high4 Ų469.4 Ų69.43%0.02537%0.374CS..Hα-helixtrans-69.9-34.8-177.555.80000112.7Y20 I25 R55 N56 S63Y20-T59 HydrophobicContact CD1-CG2 4.06Å; Y20-T59 HydrophobicContact CD2-CG2 3.7Å; Y20-T59 HydrophobicContact CE1-CG2 3.81Å; Y20-T59 HydrophobicContact CE2-CG2 3.43Å; Y20-T59 VanDerWaalsContact CE2-CG2 3.43Å; Y20-T59 HydrophobicContact CG-CG2 4.03Å; I25-T59 HydrophobicContact CD1-CG2 4.26Å; R55-T59 HydrophobicContact CG-CG2 4.49Å; R55-T59 WeakPolarHBondContact O-CG2 3.47Å; R55-T59 PolarHBondContact O-N 2.97Å; R55-T59 PolarHBondContact O-OG1 3.47Å; N56-T59 PolarHBondContact O-N 3.27Å; N56-T59 PolarHBondContact O-OG1 3.32Å; N56-T59 VanDerWaalsContact O-OG1 3.05Å; T59-S63 WeakPolarHBondContact O-CB 3.48Å; T59-S63 PolarHBondContact O-N 3.44Å
60Q93.7Very high93Very high109 Ų10967.4 Ų67.451%0.50936%0.363SS..Hα-helixtrans-69.1-47.3175.7-177.1175.8-1200110.9N56 Q57 L62 S63 E64N56-Q60 VanDerWaalsContact O-CB 3.22Å; N56-Q60 WeakPolarHBondContact O-CB 3.43Å; N56-Q60 PolarHBondContact O-N 2.96Å; Q57-Q60 PolarHBondContact O-N 3.48Å; Q60-L62 VanDerWaalsContact C-N 3.27Å; Q60-L62 PolarHBondContact O-N 3.38Å; Q60-S63 WeakPolarHBondContact O-CB 3.36Å; Q60-S63 PolarHBondContact O-N 2.86Å; Q60-S63 VanDerWaalsContact O-N 3.15Å; Q60-E64 HydrophobicContact CG-CG 4.42Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.35Å; Q60-E64 PolarHBondContact NE2-OE1 2.91Å; Q60-E64 WeakPolarHBondContact O-CB 3.36Å; Q60-E64 WeakPolarHBondContact O-CG 3.46Å; Q60-E64 PolarHBondContact O-N 2.92Å
61N93.9Very high92.6Very high44 Ų4462 Ų6224%0.23534%0.336CS..Hα-helixtrans-59.6-38.5175.9-72.5-21.7000112Q53 Q57 Y58 S65 W88Q53-N61 PolarHBondContact NE2-ND2 3.1Å; Q53-N61 PolarHBondContact OE1-ND2 3.42Å; Q53-N61 VanDerWaalsContact OE1-ND2 3.08Å; Q57-N61 VanDerWaalsContact O-CB 3.26Å; Q57-N61 WeakPolarHBondContact O-CB 3.38Å; Q57-N61 PolarHBondContact O-N 3Å; Q57-N61 PolarHBondContact O-ND2 2.97Å; Q57-N61 VanDerWaalsContact O-ND2 3.16Å; Y58-N61 PolarHBondContact O-N 2.73Å; N61-S65 WeakPolarHBondContact O-CB 3.43Å; N61-S65 PolarHBondContact O-N 3.11Å; N61-S65 PolarHBondContact O-OG 3.03Å; N61-W88 HydrophobicContact CB-CH2 3.71Å; N61-W88 HydrophobicContact CB-CZ2 3.91Å
62L94.8Very high92.2Very high0 Ų063.2 Ų63.20%035%0.346CS..Hα-helixtrans-63.3-49.5174.9-179.555.1000110.4F18 I25 Y58 Q60 E64 S65 F66 F75 W88F18-L62 HydrophobicContact CD2-CD2 3.83Å; F18-L62 HydrophobicContact CD2-CG 4.39Å; F18-L62 HydrophobicContact CE1-CD2 4.48Å; F18-L62 HydrophobicContact CE2-CD2 3.25Å; F18-L62 HydrophobicContact CE2-CG 4.04Å; F18-L62 HydrophobicContact CZ-CD2 3.61Å; F18-L62 HydrophobicContact CZ-CG 4.09Å; I25-L62 HydrophobicContact CD1-CD2 4.06Å; Y58-L62 HydrophobicContact CE1-CD2 4.46Å; Y58-L62 WeakPolarHBondContact O-CB 3.32Å; Y58-L62 PolarHBondContact O-N 2.97Å; Q60-L62 VanDerWaalsContact C-N 3.27Å; Q60-L62 PolarHBondContact O-N 3.38Å; L62-E64 PolarHBondContact O-N 2.81Å; L62-S65 WeakPolarHBondContact O-CB 3.4Å; L62-S65 PolarHBondContact O-N 3.42Å; L62-S65 VanDerWaalsContact O-N 3.15Å; L62-F66 HydrophobicContact CD1-CD2 4.13Å; L62-F66 HydrophobicContact CD1-CE2 3.79Å; L62-F66 HydrophobicContact CG-CD2 4.4Å; L62-F66 HydrophobicContact CG-CE2 4.24Å; L62-F66 WeakPolarHBondContact O-CD2 3.42Å; L62-F66 PolarHBondContact O-N 2.92Å; L62-F66 VanDerWaalsContact O-N 3.17Å; L62-F75 HydrophobicContact CD1-CE1 3.81Å; L62-F75 HydrophobicContact CD1-CZ 4Å; L62-W88 HydrophobicContact CB-CE3 4.27Å; L62-W88 HydrophobicContact CB-CH2 3.81Å; L62-W88 HydrophobicContact CB-CZ2 4.31Å; L62-W88 HydrophobicContact CB-CZ3 3.78Å; L62-W88 HydrophobicContact CD1-CD2 3.76Å; L62-W88 HydrophobicContact CD1-CE3 3.7Å; L62-W88 HydrophobicContact CD1-CG 4.17Å; L62-W88 HydrophobicContact CD1-CZ3 4.11Å; L62-W88 HydrophobicContact CG-CE3 4.44Å; L62-W88 HydrophobicContact CG-CZ3 4.41Å; L62-W88 VanDerWaalsContact N-CH2 3.34Å
63S93.9Very high91.8Very high17 Ų1756.7 Ų56.712%0.11933%0.325CS..Hα-helixtrans-58.7-45.6176.6-170.70000112.4T59 Q60 S65 F66 S67T59-S63 WeakPolarHBondContact O-CB 3.48Å; T59-S63 PolarHBondContact O-N 3.44Å; Q60-S63 WeakPolarHBondContact O-CB 3.36Å; Q60-S63 PolarHBondContact O-N 2.86Å; Q60-S63 VanDerWaalsContact O-N 3.15Å; S63-S65 VanDerWaalsContact C-N 3.26Å; S63-S65 PolarHBondContact O-N 3.48Å; S63-F66 WeakPolarHBondContact O-CB 3.41Å; S63-F66 PolarHBondContact O-N 3.46Å; S63-F66 VanDerWaalsContact O-N 3.17Å; S63-S67 PolarHBondContact O-N 3.46Å; S63-S67 VanDerWaalsContact O-N 3.13Å; S63-S67 PolarHBondContact O-OG 3.43Å
64E93.3Very high91.6Very high104 Ų10455.8 Ų55.849%0.48632%0.322SS..Hα-helixtrans-62.5-34177.2-73.1174.7-169.200112Q60 L62 S67 S68Q60-E64 HydrophobicContact CG-CG 4.42Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.35Å; Q60-E64 PolarHBondContact NE2-OE1 2.91Å; Q60-E64 WeakPolarHBondContact O-CB 3.36Å; Q60-E64 WeakPolarHBondContact O-CG 3.46Å; Q60-E64 PolarHBondContact O-N 2.92Å; L62-E64 PolarHBondContact O-N 2.81Å; E64-S67 CarbonylContact O-C 3.57Å; E64-S67 PolarHBondContact O-N 3.24Å; E64-S68 PolarHBondContact O-N 2.95Å; E64-S68 VanDerWaalsContact O-N 3.14Å
65S93.5Very high91.6Very high18 Ų1851.6 Ų51.613%0.12630%0.296CS..Hα-helixtrans-66.4-37.8175.6-59.40000111.9N61 L62 S63 S67 S68 W88N61-S65 WeakPolarHBondContact O-CB 3.43Å; N61-S65 PolarHBondContact O-N 3.11Å; N61-S65 PolarHBondContact O-OG 3.03Å; L62-S65 WeakPolarHBondContact O-CB 3.4Å; L62-S65 PolarHBondContact O-N 3.42Å; L62-S65 VanDerWaalsContact O-N 3.15Å; S63-S65 VanDerWaalsContact C-N 3.26Å; S63-S65 PolarHBondContact O-N 3.48Å; S65-S67 VanDerWaalsContact C-N 3.32Å; S65-S68 WeakPolarHBondContact O-CB 3.3Å; S65-S68 PolarHBondContact O-N 3.05Å; S65-S68 PolarHBondContact O-OG 2.86Å; S65-W88 PolarHBondContact OG-NE1 2.81Å
66F92.7Very high91.6Very high6 Ų650.9 Ų50.93%0.02630%0.299CS..Hα-helixtrans-65.1-35.3172.6-86.6-87.9000112.2A9 V16 F18 L62 S63 S68 F75 F86A9-F66 HydrophobicContact CB-CD1 3.66Å; A9-F66 HydrophobicContact CB-CE1 4.05Å; V16-F66 HydrophobicContact CB-CE1 4.39Å; V16-F66 HydrophobicContact CG1-CE1 4.06Å; V16-F66 HydrophobicContact CG1-CZ 4.15Å; F18-F66 HydrophobicContact CB-CD2 4.14Å; F18-F66 HydrophobicContact CB-CE1 4.09Å; F18-F66 HydrophobicContact CB-CE2 3.54Å; F18-F66 HydrophobicContact CB-CZ 3.51Å; F18-F66 HydrophobicContact CG-CD2 4.43Å; F18-F66 AromaticContact CG-CE2 3.98Å; F18-F66 HydrophobicContact CG-CE2 3.98Å; F18-F66 HydrophobicContact CG-CZ 4.43Å; L62-F66 HydrophobicContact CD1-CD2 4.13Å; L62-F66 HydrophobicContact CD1-CE2 3.79Å; L62-F66 HydrophobicContact CG-CD2 4.4Å; L62-F66 HydrophobicContact CG-CE2 4.24Å; L62-F66 WeakPolarHBondContact O-CD2 3.42Å; L62-F66 PolarHBondContact O-N 2.92Å; L62-F66 VanDerWaalsContact O-N 3.17Å; S63-F66 WeakPolarHBondContact O-CB 3.41Å; S63-F66 PolarHBondContact O-N 3.46Å; S63-F66 VanDerWaalsContact O-N 3.17Å; F66-S68 VanDerWaalsContact C-N 3.32Å; F66-S68 PolarHBondContact O-N 2.85Å; F66-F75 HydrophobicContact CD1-CE2 4.36Å; F66-F75 HydrophobicContact CD2-CE1 4.37Å; F66-F75 AromaticContact CD2-CE2 3.97Å; F66-F75 HydrophobicContact CD2-CE2 3.97Å; F66-F75 AromaticContact CD2-CZ 3.52Å; F66-F75 HydrophobicContact CD2-CZ 3.52Å; F66-F75 AromaticContact CE2-CE1 3.99Å; F66-F75 HydrophobicContact CE2-CE1 3.99Å; F66-F75 HydrophobicContact CE2-CE2 4.2Å; F66-F75 AromaticContact CE2-CZ 3.58Å; F66-F75 HydrophobicContact CE2-CZ 3.58Å; F66-F75 HydrophobicContact CG-CE2 4.04Å; F66-F75 HydrophobicContact CG-CZ 4.08Å; F66-F75 HydrophobicContact CZ-CE1 4.46Å; F66-F75 HydrophobicContact CZ-CZ 4.19Å; F66-F86 HydrophobicContact CE1-CZ 4.46Å; F66-F86 HydrophobicContact CE2-CZ 4.23Å; F66-F86 HydrophobicContact CZ-CE1 4.12Å; F66-F86 AromaticContact CZ-CZ 3.64Å; F66-F86 HydrophobicContact CZ-CZ 3.64Å
67S89.6Confident91.8Very high97 Ų9745.9 Ų45.968%0.67827%0.272SS*.THydrogen-bonded Turntrans-85.34.9178.3-54.10000114.7S63 E64 S65S63-S67 PolarHBondContact O-N 3.46Å; S63-S67 VanDerWaalsContact O-N 3.13Å; S63-S67 PolarHBondContact O-OG 3.43Å; E64-S67 CarbonylContact O-C 3.57Å; E64-S67 PolarHBondContact O-N 3.24Å; S65-S67 VanDerWaalsContact C-N 3.32Å
68S89.3Confident91.7Very high37 Ų3747.7 Ų47.726%0.25927%0.274SS..SBendtrans-67.8156.8178.768.70000111.9E64 S65 F66 D70 P71E64-S68 PolarHBondContact O-N 2.95Å; E64-S68 VanDerWaalsContact O-N 3.14Å; S65-S68 WeakPolarHBondContact O-CB 3.3Å; S65-S68 PolarHBondContact O-N 3.05Å; S65-S68 PolarHBondContact O-OG 2.86Å; F66-S68 VanDerWaalsContact C-N 3.32Å; F66-S68 PolarHBondContact O-N 2.85Å; S68-D70 PolarHBondContact O-N 3.12Å; S68-D70 PolarHBondContact OG-O 3.44Å; S68-P71 VanDerWaalsContact O-CD 3.3Å; S68-P71 WeakPolarHBondContact O-CD 3.23Å; S68-P71 WeakPolarHBondContact O-CG 3.35Å; S68-P71 WeakPolarHBondContact OG-CA 3.41Å
69S88.5Confident91.7Very high137 Ų13753.9 Ų53.996%0.95830%0.303SS*.SBendtrans-65.6-22.9178.457.50000113.5
70D88.2Confident91.7Very high82 Ų8257.7 Ų57.744%0.43932%0.321SS..  trans-136.282.7173.6179.514.1000110S68 S72 S73S68-D70 PolarHBondContact O-N 3.12Å; S68-D70 PolarHBondContact OG-O 3.44Å; D70-S72 PolarHBondContact O-N 3.49Å; D70-S72 WeakPolarHBondContact OD1-CB 3.46Å; D70-S72 PolarHBondContact OD1-N 3.35Å; D70-S73 VanDerWaalsContact O-CB 3.32Å; D70-S73 WeakPolarHBondContact O-CB 3.31Å; D70-S73 PolarHBondContact O-N 2.96Å; D70-S73 PolarHBondContact O-OG 3.26Å; D70-S73 PolarHBondContact OD1-N 3.36Å
71P85Confident91.6Very high22 Ų2256.3 Ų56.314%0.14334%0.335CS..G310 helixtrans-60.4-26178.3-24.735.8000112.9A9 S68 S73 C74 F75A9-P71 HydrophobicContact CB-CB 3.63Å; A9-P71 HydrophobicContact CB-CG 4.04Å; S68-P71 VanDerWaalsContact O-CD 3.3Å; S68-P71 WeakPolarHBondContact O-CD 3.23Å; S68-P71 WeakPolarHBondContact O-CG 3.35Å; S68-P71 WeakPolarHBondContact OG-CA 3.41Å; P71-S73 PolarHBondContact O-N 3.5Å; P71-C74 PolarHBondContact O-N 2.94Å; P71-F75 HydrophobicContact CB-CD2 4.19Å; P71-F75 VanDerWaalsContact O-CD2 3.24Å; P71-F75 WeakPolarHBondContact O-CD2 3.49Å; P71-F75 PolarHBondContact O-N 2.9Å
72S84.1Confident91.6Very high56 Ų5657.5 Ų57.539%0.39235%0.351SS..G310 helixtrans-68-17.7178-63.50000112.6D70 C74D70-S72 PolarHBondContact O-N 3.49Å; D70-S72 WeakPolarHBondContact OD1-CB 3.46Å; D70-S72 PolarHBondContact OD1-N 3.35Å; S72-C74 VanDerWaalsContact C-N 3.31Å
73S86.6Confident91.7Very high59 Ų5959.4 Ų59.441%0.41336%0.363SS..G310 helixtrans-70.8-28.417072.80000113D70 P71D70-S73 VanDerWaalsContact O-CB 3.32Å; D70-S73 WeakPolarHBondContact O-CB 3.31Å; D70-S73 PolarHBondContact O-N 2.96Å; D70-S73 PolarHBondContact O-OG 3.26Å; D70-S73 PolarHBondContact OD1-N 3.36Å; P71-S73 PolarHBondContact O-N 3.5Å
74C91.8Very high91.8Very high16 Ų1658.7 Ų58.711%0.10836%0.358CS..THydrogen-bonded Turntrans-100.8-23.2-174.9-67.60000112.7P71 S72 S89P71-C74 PolarHBondContact O-N 2.94Å; S72-C74 VanDerWaalsContact C-N 3.31Å; C74-S89 CarbonylContact C-O 3.59Å; C74-S89 VanDerWaalsContact CA-O 3.23Å; C74-S89 WeakPolarHBondContact CA-O 3.49Å; C74-S89 PolarHBondContact O-N 2.9Å
75F95.2Very high92Very high2 Ų253.9 Ų53.91%0.00934%0.336CS..EExtended strand (participates in β ladder)trans-125.7140.4-174.5-58.6-69.8000112.3I11 L62 F66 P71 F86 V87 W88I11-F75 HydrophobicContact CD1-CB 3.4Å; I11-F75 VanDerWaalsContact CD1-CB 3.4Å; I11-F75 HydrophobicContact CD1-CD2 3.95Å; I11-F75 HydrophobicContact CD1-CG 3.9Å; I11-F75 HydrophobicContact CG1-CB 4.18Å; L62-F75 HydrophobicContact CD1-CE1 3.81Å; L62-F75 HydrophobicContact CD1-CZ 4Å; F66-F75 HydrophobicContact CD1-CE2 4.36Å; F66-F75 HydrophobicContact CD2-CE1 4.37Å; F66-F75 AromaticContact CD2-CE2 3.97Å; F66-F75 HydrophobicContact CD2-CE2 3.97Å; F66-F75 AromaticContact CD2-CZ 3.52Å; F66-F75 HydrophobicContact CD2-CZ 3.52Å; F66-F75 AromaticContact CE2-CE1 3.99Å; F66-F75 HydrophobicContact CE2-CE1 3.99Å; F66-F75 HydrophobicContact CE2-CE2 4.2Å; F66-F75 AromaticContact CE2-CZ 3.58Å; F66-F75 HydrophobicContact CE2-CZ 3.58Å; F66-F75 HydrophobicContact CG-CE2 4.04Å; F66-F75 HydrophobicContact CG-CZ 4.08Å; F66-F75 HydrophobicContact CZ-CE1 4.46Å; F66-F75 HydrophobicContact CZ-CZ 4.19Å; P71-F75 HydrophobicContact CB-CD2 4.19Å; P71-F75 VanDerWaalsContact O-CD2 3.24Å; P71-F75 WeakPolarHBondContact O-CD2 3.49Å; P71-F75 PolarHBondContact O-N 2.9Å; F75-F86 HydrophobicContact CB-CE2 3.79Å; F75-F86 HydrophobicContact CB-CZ 4.23Å; F75-F86 HydrophobicContact CD1-CE1 4.11Å; F75-F86 AromaticContact CD1-CE2 3.72Å; F75-F86 HydrophobicContact CD1-CE2 3.72Å; F75-F86 AromaticContact CD1-CZ 3.27Å; F75-F86 HydrophobicContact CD1-CZ 3.27Å; F75-F86 HydrophobicContact CE1-CE1 4.27Å; F75-F86 AromaticContact CE1-CZ 3.67Å; F75-F86 HydrophobicContact CE1-CZ 3.67Å; F75-F86 AromaticContact CG-CE2 3.88Å; F75-F86 HydrophobicContact CG-CE2 3.88Å; F75-F86 AromaticContact CG-CZ 3.81Å; F75-F86 HydrophobicContact CG-CZ 3.81Å; F75-F86 HydrophobicContact CZ-CZ 4.48Å; F75-V87 WeakPolarHBondContact CA-O 3.49Å; F75-W88 HydrophobicContact CD1-CB 3.8Å; F75-W88 AromaticContact CD1-CD1 3.82Å; F75-W88 HydrophobicContact CD1-CG 4.06Å; F75-W88 HydrophobicContact CE1-CB 3.66Å; F75-W88 AromaticContact CE1-CD1 3.35Å; F75-W88 HydrophobicContact CE1-CD2 4.41Å; F75-W88 AromaticContact CE1-CG 3.55Å; F75-W88 HydrophobicContact CE1-CG 3.55Å; F75-W88 AromaticContact CZ-CD1 3.98Å; F75-W88 HydrophobicContact CZ-CG 4.45Å
76T93.7Very high92.1Very high44 Ų4453.1 Ų53.127%0.2733%0.33SS..EExtended strand (participates in β ladder)trans-125.9138.4168.960.50000109.1V87T76-V87 PolarHBondContact N-O 2.91Å; T76-V87 PolarHBondContact O-N 3.2Å
77L95.2Very high92.3Very high8 Ų853.2 Ų53.24%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-123.6120.1177.2-17175.3000107.7I11 N12 Y14 V16 A29 L84 N85 F86I11-L77 HydrophobicContact CG2-CB 4.11Å; N12-L77 PolarHBondContact ND2-O 3.36Å; Y14-L77 HydrophobicContact CD1-CD2 3.89Å; Y14-L77 HydrophobicContact CD2-CD2 3.39Å; Y14-L77 HydrophobicContact CE1-CD2 4.45Å; Y14-L77 HydrophobicContact CE2-CD2 4Å; Y14-L77 HydrophobicContact CG-CD2 3.32Å; V16-L77 HydrophobicContact CG2-CD2 4.31Å; A29-L77 HydrophobicContact CB-CD2 4.43Å; L77-L84 HydrophobicContact CD1-CB 3.97Å; L77-L84 HydrophobicContact CD1-CD1 4.4Å; L77-L84 HydrophobicContact CD2-CD1 4.21Å; L77-L84 HydrophobicContact CG-CB 4.49Å; L77-L84 HydrophobicContact CG-CD1 4.5Å; L77-N85 WeakPolarHBondContact CA-O 3.24Å; L77-F86 HydrophobicContact CD1-CB 3.61Å; L77-F86 HydrophobicContact CD1-CD2 3.88Å; L77-F86 HydrophobicContact CD1-CG 4.21Å
78R94.4Very high92.6Very high140 Ų14048.9 Ų48.953%0.52830%0.3SS..EExtended strand (participates in β ladder)trans-120.1136.6-178.7-64.4-172.2-66-157-1.4110.5L84 N85R78-L84 CarbonylContact O-C 3.57Å; R78-L84 WeakPolarHBondContact O-CA 3.46Å; R78-N85 PolarHBondContact N-O 3.18Å; R78-N85 PolarHBondContact O-N 2.91Å
79E94.3Very high92.8Very high130 Ų13047.3 Ų47.361%0.60729%0.289SS*.EExtended strand (participates in β ladder)trans-79118.9171-73.9167.5-151.400109Y14 L84Y14-E79 PolarHBondContact OH-OE1 3.46Å; E79-L84 HydrophobicContact CB-CD2 4.21Å; E79-L84 HydrophobicContact CG-CD2 3.36Å
80E94Very high92.9Very high84 Ų8446.7 Ų46.739%0.39327%0.269SS..EExtended strand (participates in β ladder)trans-121.479178.5-70.1-178-162.800108.5A82 V83 N85 Y104E80-A82 PolarHBondContact O-N 2.84Å; E80-V83 CarbonylContact C-O 3.6Å; E80-V83 PolarHBondContact N-O 3.04Å; E80-V83 PolarHBondContact O-N 3.49Å; E80-N85 HydrophobicContact CG-CB 4.23Å; E80-N85 WeakPolarHBondContact OE1-CB 3.41Å; E80-N85 PolarHBondContact OE1-ND2 3.04Å; E80-Y104 WeakPolarHBondContact OE2-CE1 3.5Å
81G92.7Very high92.9Very high79 Ų7947.1 Ų47.181%0.81427%0.268SS*.THydrogen-bonded Turntrans70.5-121.4-171.900000111.3
82A92.9Very high93.1Very high69 Ų6951 Ų5157%0.5729%0.287SS*.THydrogen-bonded Turntrans-85.1-13.117800000113.6W35 E80 P107W35-A82 PolarHBondContact NE1-O 2.7Å; E80-A82 PolarHBondContact O-N 2.84Å; A82-P107 HydrophobicContact CB-CG 4.47Å; A82-P107 WeakPolarHBondContact O-CD 3.35Å
83V95.9Very high93.2Very high41 Ų4155.5 Ų55.525%0.24830%0.299CS..EExtended strand (participates in β ladder)trans-102.4149.1-173.7-177.40000109.2E80 Y104 L105E80-V83 CarbonylContact C-O 3.6Å; E80-V83 PolarHBondContact N-O 3.04Å; E80-V83 PolarHBondContact O-N 3.49Å; V83-Y104 HydrophobicContact CG1-CD1 4.04Å; V83-L105 WeakPolarHBondContact CA-O 3.49Å; V83-L105 WeakPolarHBondContact CG1-O 3.41Å
84L96.8Very high93.3Very high1 Ų162.7 Ų62.71%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-100.1130.4168.9-57.4179.8000110.1Y14 A29 W35 L77 R78 E79 Y104 L105Y14-L84 HydrophobicContact CD1-CD1 4.04Å; Y14-L84 HydrophobicContact CE1-CD1 3.62Å; A29-L84 HydrophobicContact CB-CD1 3.93Å; W35-L84 HydrophobicContact CB-CD1 3.82Å; W35-L84 HydrophobicContact CB-CG 4.21Å; W35-L84 HydrophobicContact CD2-CD1 3.5Å; W35-L84 VanDerWaalsContact CD2-CD1 3.5Å; W35-L84 HydrophobicContact CD2-CG 3.9Å; W35-L84 HydrophobicContact CE3-CD1 3.74Å; W35-L84 HydrophobicContact CG-CD1 3.54Å; W35-L84 HydrophobicContact CG-CG 3.69Å; W35-L84 HydrophobicContact CZ3-CD1 4.49Å; L77-L84 HydrophobicContact CD1-CB 3.97Å; L77-L84 HydrophobicContact CD1-CD1 4.4Å; L77-L84 HydrophobicContact CD2-CD1 4.21Å; L77-L84 HydrophobicContact CG-CB 4.49Å; L77-L84 HydrophobicContact CG-CD1 4.5Å; R78-L84 CarbonylContact O-C 3.57Å; R78-L84 WeakPolarHBondContact O-CA 3.46Å; E79-L84 HydrophobicContact CB-CD2 4.21Å; E79-L84 HydrophobicContact CG-CD2 3.36Å; L84-Y104 CarbonylContact O-C 3.59Å; L84-Y104 WeakPolarHBondContact O-CA 3.44Å; L84-L105 HydrophobicContact CB-CB 4.26Å; L84-L105 PolarHBondContact N-O 3.43Å; L84-L105 PolarHBondContact O-N 3.02Å
85N96.9Very high93Very high4 Ų465.2 Ų65.22%0.02135%0.352CS..EExtended strand (participates in β ladder)trans-94.9105.2170-174.2-0.7000109.2L77 R78 E80 V87 S102 Y104L77-N85 WeakPolarHBondContact CA-O 3.24Å; R78-N85 PolarHBondContact N-O 3.18Å; R78-N85 PolarHBondContact O-N 2.91Å; E80-N85 HydrophobicContact CG-CB 4.23Å; E80-N85 WeakPolarHBondContact OE1-CB 3.41Å; E80-N85 PolarHBondContact OE1-ND2 3.04Å; N85-V87 VanDerWaalsContact OD1-CG2 3.25Å; N85-V87 WeakPolarHBondContact OD1-CG2 3.41Å; N85-S102 PolarHBondContact OD1-OG 3.47Å; N85-Y104 HydrophobicContact CB-CD1 4.26Å; N85-Y104 HydrophobicContact CB-CE1 4.02Å
86F96.9Very high92.8Very high1 Ų169.8 Ų69.80%0.00438%0.375CS..EExtended strand (participates in β ladder)trans-93.9114.7175177.6-115.4000109.5I11 V16 V27 F66 F75 L77 S102 F103 L105I11-F86 HydrophobicContact CD1-CE2 3.75Å; V16-F86 HydrophobicContact CG1-CD2 4.4Å; V16-F86 HydrophobicContact CG1-CE2 4Å; V16-F86 HydrophobicContact CG1-CZ 4.13Å; V27-F86 HydrophobicContact CG1-CD1 3.84Å; V27-F86 HydrophobicContact CG1-CE1 4.05Å; V27-F86 HydrophobicContact CG1-CG 4.47Å; F66-F86 HydrophobicContact CE1-CZ 4.46Å; F66-F86 HydrophobicContact CE2-CZ 4.23Å; F66-F86 HydrophobicContact CZ-CE1 4.12Å; F66-F86 AromaticContact CZ-CZ 3.64Å; F66-F86 HydrophobicContact CZ-CZ 3.64Å; F75-F86 HydrophobicContact CB-CE2 3.79Å; F75-F86 HydrophobicContact CB-CZ 4.23Å; F75-F86 HydrophobicContact CD1-CE1 4.11Å; F75-F86 AromaticContact CD1-CE2 3.72Å; F75-F86 HydrophobicContact CD1-CE2 3.72Å; F75-F86 AromaticContact CD1-CZ 3.27Å; F75-F86 HydrophobicContact CD1-CZ 3.27Å; F75-F86 HydrophobicContact CE1-CE1 4.27Å; F75-F86 AromaticContact CE1-CZ 3.67Å; F75-F86 HydrophobicContact CE1-CZ 3.67Å; F75-F86 AromaticContact CG-CE2 3.88Å; F75-F86 HydrophobicContact CG-CE2 3.88Å; F75-F86 AromaticContact CG-CZ 3.81Å; F75-F86 HydrophobicContact CG-CZ 3.81Å; F75-F86 HydrophobicContact CZ-CZ 4.48Å; L77-F86 HydrophobicContact CD1-CB 3.61Å; L77-F86 HydrophobicContact CD1-CD2 3.88Å; L77-F86 HydrophobicContact CD1-CG 4.21Å; F86-S102 CarbonylContact O-C 3.36Å; F86-S102 WeakPolarHBondContact O-CA 3.29Å; F86-F103 HydrophobicContact CB-CB 4.32Å; F86-F103 HydrophobicContact CD1-CB 4.25Å; F86-F103 AromaticContact CD1-CD2 3.49Å; F86-F103 HydrophobicContact CD1-CD2 3.49Å; F86-F103 VanDerWaalsContact CD1-CD2 3.49Å; F86-F103 HydrophobicContact CD1-CE2 4.22Å; F86-F103 HydrophobicContact CD1-CG 4.22Å; F86-F103 HydrophobicContact CE1-CD2 4.02Å; F86-F103 HydrophobicContact CE1-CE2 4.3Å; F86-F103 PolarHBondContact N-O 3.44Å; F86-F103 PolarHBondContact O-N 3.05Å; F86-L105 HydrophobicContact CB-CD1 3.55Å
87V96Very high92.7Very high9 Ų973.1 Ų73.16%0.05539%0.386CS..EExtended strand (participates in β ladder)trans-116.7125.6-176.1-176.80000109.9F75 T76 N85 I99 G101F75-V87 WeakPolarHBondContact CA-O 3.49Å; T76-V87 PolarHBondContact N-O 2.91Å; T76-V87 PolarHBondContact O-N 3.2Å; N85-V87 VanDerWaalsContact OD1-CG2 3.25Å; N85-V87 WeakPolarHBondContact OD1-CG2 3.41Å; V87-I99 HydrophobicContact CG1-CD1 4.41Å; V87-I99 HydrophobicContact CG1-CG1 4.26Å; V87-I99 HydrophobicContact CG1-CG2 3.77Å; V87-G101 WeakPolarHBondContact CA-O 3.4Å
88W95.7Very high92.5Very high5 Ų576.2 Ų76.22%0.01940%0.402CS..EExtended strand (participates in β ladder)trans-95.8122.1169.7176.733.6000109.8Y58 N61 L62 S65 F75 F100 G101Y58-W88 HydrophobicContact CD2-CZ3 4.04Å; Y58-W88 HydrophobicContact CE1-CZ3 4.18Å; Y58-W88 HydrophobicContact CE2-CE3 4.31Å; Y58-W88 AromaticContact CE2-CZ3 3.65Å; Y58-W88 HydrophobicContact CE2-CZ3 3.65Å; Y58-W88 HydrophobicContact CG-CZ3 4.48Å; Y58-W88 AromaticContact CZ-CZ3 3.72Å; N61-W88 HydrophobicContact CB-CH2 3.71Å; N61-W88 HydrophobicContact CB-CZ2 3.91Å; L62-W88 HydrophobicContact CB-CE3 4.27Å; L62-W88 HydrophobicContact CB-CH2 3.81Å; L62-W88 HydrophobicContact CB-CZ2 4.31Å; L62-W88 HydrophobicContact CB-CZ3 3.78Å; L62-W88 HydrophobicContact CD1-CD2 3.76Å; L62-W88 HydrophobicContact CD1-CE3 3.7Å; L62-W88 HydrophobicContact CD1-CG 4.17Å; L62-W88 HydrophobicContact CD1-CZ3 4.11Å; L62-W88 HydrophobicContact CG-CE3 4.44Å; L62-W88 HydrophobicContact CG-CZ3 4.41Å; L62-W88 VanDerWaalsContact N-CH2 3.34Å; S65-W88 PolarHBondContact OG-NE1 2.81Å; F75-W88 HydrophobicContact CD1-CB 3.8Å; F75-W88 AromaticContact CD1-CD1 3.82Å; F75-W88 HydrophobicContact CD1-CG 4.06Å; F75-W88 HydrophobicContact CE1-CB 3.66Å; F75-W88 AromaticContact CE1-CD1 3.35Å; F75-W88 HydrophobicContact CE1-CD2 4.41Å; F75-W88 AromaticContact CE1-CG 3.55Å; F75-W88 HydrophobicContact CE1-CG 3.55Å; F75-W88 AromaticContact CZ-CD1 3.98Å; F75-W88 HydrophobicContact CZ-CG 4.45Å; W88-F100 HydrophobicContact CD2-CB 3.64Å; W88-F100 HydrophobicContact CD2-CD2 4.12Å; W88-F100 HydrophobicContact CD2-CG 4.28Å; W88-F100 AromaticContact CE2-CD2 3.82Å; W88-F100 HydrophobicContact CE3-CB 3.43Å; W88-F100 VanDerWaalsContact CE3-CB 3.43Å; W88-F100 HydrophobicContact CE3-CG 4.38Å; W88-F100 HydrophobicContact CG-CB 4.25Å; W88-F100 HydrophobicContact CG-CD2 4.47Å; W88-F100 HydrophobicContact CH2-CB 4.2Å; W88-F100 HydrophobicContact CH2-CG 4.46Å; W88-F100 HydrophobicContact CZ2-CB 4.37Å; W88-F100 HydrophobicContact CZ2-CD2 4.12Å; W88-F100 HydrophobicContact CZ2-CG 4.36Å; W88-F100 HydrophobicContact CZ3-CB 3.75Å; W88-F100 HydrophobicContact CZ3-CG 4.48Å; W88-F100 PolarHBondContact O-N 2.71Å; W88-G101 PolarHBondContact N-O 3.43Å; W88-G101 PolarHBondContact O-N 3.01Å
89S94.4Very high92.5Very high5 Ų574.4 Ų74.44%0.03540%0.402CS..EExtended strand (participates in β ladder)trans-148160.4-178.466.30000111.4C74 I98C74-S89 CarbonylContact C-O 3.59Å; C74-S89 VanDerWaalsContact CA-O 3.23Å; C74-S89 WeakPolarHBondContact CA-O 3.49Å; C74-S89 PolarHBondContact O-N 2.9Å; S89-I98 CarbonylContact C-O 3.49Å; S89-I98 WeakPolarHBondContact CA-O 3.24Å; S89-I98 WeakPolarHBondContact CB-O 3.27Å
90K91Very high92.5Very high123 Ų12369.9 Ų69.954%0.53538%0.38SS..EExtended strand (participates in β ladder)trans-134133.1172.2-175.5173.7-178173.30110.2K97 I98 F100K90-K97 WeakPolarHBondContact O-CA 3.38Å; K90-I98 PolarHBondContact N-O 2.79Å; K90-I98 PolarHBondContact O-N 3.32Å; K90-F100 HydrophobicContact CB-CD2 4.47Å; K90-F100 HydrophobicContact CB-CE2 3.53Å; K90-F100 HydrophobicContact CB-CZ 4.26Å
91E88.5Confident92.6Very high91 Ų9166 Ų6643%0.42536%0.363SS..EExtended strand (participates in β ladder)trans-77.4125.9171.5-166.7163.9-176.400109.7K93 K94 G95 I96 K97E91-K93 VanDerWaalsContact CG-O 3.29Å; E91-K93 WeakPolarHBondContact CG-O 3.4Å; E91-K94 VanDerWaalsContact OE1-CA 3.3Å; E91-K94 WeakPolarHBondContact OE1-CA 3.35Å; E91-G95 PolarHBondContact OE1-N 3.33Å; E91-I96 WeakPolarHBondContact CA-O 3.44Å; E91-K97 HydrophobicContact CB-CG 4Å; E91-K97 HydrophobicContact CG-CG 4.18Å
92I88.2Confident92.7Very high104 Ų10464.4 Ų64.453%0.53334%0.339SS..EExtended strand (participates in β ladder)trans-104.7-34.2-178.8-55.9-171.8000110.8I96 I98I92-I96 PolarHBondContact N-O 2.9Å; I92-I98 HydrophobicContact CD1-CB 4.22Å; I92-I98 HydrophobicContact CD1-CD1 3.2Å; I92-I98 HydrophobicContact CD1-CG1 3.48Å; I92-I98 VanDerWaalsContact CD1-CG1 3.48Å; I92-I98 HydrophobicContact CG1-CD1 4.38Å; I92-I98 HydrophobicContact CG1-CG1 4.19Å
93K86.7Confident92.8Very high150 Ų15061.3 Ų61.365%0.65231%0.313SS*.EExtended strand (participates in β ladder)trans-141.9156.3172.8-67.5-176.7178.7178.60107.7E91 G95 I96E91-K93 VanDerWaalsContact CG-O 3.29Å; E91-K93 WeakPolarHBondContact CG-O 3.4Å; K93-G95 PolarHBondContact O-N 3.24Å; K93-I96 HydrophobicContact CB-CB 4.36Å; K93-I96 HydrophobicContact CB-CD1 4.27Å; K93-I96 HydrophobicContact CB-CG1 4.47Å; K93-I96 PolarHBondContact O-N 3.47Å
94K88Confident92.8Very high210 Ų21065.1 Ų65.191%0.91332%0.324SS*.THydrogen-bonded Turntrans-50.1114178.7-170.4175.7-179.1178.60110.5E91E91-K94 VanDerWaalsContact OE1-CA 3.3Å; E91-K94 WeakPolarHBondContact OE1-CA 3.35Å
95G86.9Confident92.9Very high69 Ų6965.1 Ų65.171%0.71132%0.324SS*.THydrogen-bonded Turntrans85.7-0.7-179.400000116.1E91 K93E91-G95 PolarHBondContact OE1-N 3.33Å; K93-G95 PolarHBondContact O-N 3.24Å
96I90Very high92.8Very high98 Ų9871.9 Ų71.950%0.50335%0.353SS..EExtended strand (participates in β ladder)trans-114.6105.6176.2-55.2-179.9000109.1E91 I92 K93E91-I96 WeakPolarHBondContact CA-O 3.44Å; I92-I96 PolarHBondContact N-O 2.9Å; K93-I96 HydrophobicContact CB-CB 4.36Å; K93-I96 HydrophobicContact CB-CD1 4.27Å; K93-I96 HydrophobicContact CB-CG1 4.47Å; K93-I96 PolarHBondContact O-N 3.47Å
97K91Very high92.8Very high114 Ų11474.3 Ų74.350%0.49637%0.369SS..EExtended strand (participates in β ladder)trans-106.5130.7173.4-67.6-170.9177.3-169.70110.6K90 E91K90-K97 WeakPolarHBondContact O-CA 3.38Å; E91-K97 HydrophobicContact CB-CG 4Å; E91-K97 HydrophobicContact CG-CG 4.18Å
98I92.4Very high92.7Very high74 Ų7475.2 Ų75.238%0.37938%0.375SS..EExtended strand (participates in β ladder)trans-93.1126.6167.5-62.8-161000108.1S89 K90 I92 F100S89-I98 CarbonylContact C-O 3.49Å; S89-I98 WeakPolarHBondContact CA-O 3.24Å; S89-I98 WeakPolarHBondContact CB-O 3.27Å; K90-I98 PolarHBondContact N-O 2.79Å; K90-I98 PolarHBondContact O-N 3.32Å; I92-I98 HydrophobicContact CD1-CB 4.22Å; I92-I98 HydrophobicContact CD1-CD1 3.2Å; I92-I98 HydrophobicContact CD1-CG1 3.48Å; I92-I98 VanDerWaalsContact CD1-CG1 3.48Å; I92-I98 HydrophobicContact CG1-CD1 4.38Å; I92-I98 HydrophobicContact CG1-CG1 4.19Å; I98-F100 HydrophobicContact CG2-CD1 4.23Å; I98-F100 HydrophobicContact CG2-CE1 3.89Å; I98-F100 HydrophobicContact CG2-CZ 4.15Å
99I94.3Very high92.5Very high102 Ų10286.1 Ų86.152%0.52342%0.418SS..EExtended strand (participates in β ladder)trans-89.5124.4173.1-61.1173.3000107.8V87V87-I99 HydrophobicContact CG1-CD1 4.41Å; V87-I99 HydrophobicContact CG1-CG1 4.26Å; V87-I99 HydrophobicContact CG1-CG2 3.77Å
100F94.3Very high92.4Very high34 Ų3489.4 Ų89.415%0.14944%0.435CS..EExtended strand (participates in β ladder)trans-95.1-30.8176.8-63.4-68.2000112.4V51 Y58 W88 K90 I98V51-F100 HydrophobicContact CB-CD1 4.37Å; V51-F100 HydrophobicContact CG1-CB 4.36Å; V51-F100 HydrophobicContact CG1-CD1 4.07Å; V51-F100 WeakPolarHBondContact CG1-O 3.45Å; Y58-F100 PolarHBondContact OH-O 3.37Å; W88-F100 HydrophobicContact CD2-CB 3.64Å; W88-F100 HydrophobicContact CD2-CD2 4.12Å; W88-F100 HydrophobicContact CD2-CG 4.28Å; W88-F100 AromaticContact CE2-CD2 3.82Å; W88-F100 HydrophobicContact CE3-CB 3.43Å; W88-F100 VanDerWaalsContact CE3-CB 3.43Å; W88-F100 HydrophobicContact CE3-CG 4.38Å; W88-F100 HydrophobicContact CG-CB 4.25Å; W88-F100 HydrophobicContact CG-CD2 4.47Å; W88-F100 HydrophobicContact CH2-CB 4.2Å; W88-F100 HydrophobicContact CH2-CG 4.46Å; W88-F100 HydrophobicContact CZ2-CB 4.37Å; W88-F100 HydrophobicContact CZ2-CD2 4.12Å; W88-F100 HydrophobicContact CZ2-CG 4.36Å; W88-F100 HydrophobicContact CZ3-CB 3.75Å; W88-F100 HydrophobicContact CZ3-CG 4.48Å; W88-F100 PolarHBondContact O-N 2.71Å; K90-F100 HydrophobicContact CB-CD2 4.47Å; K90-F100 HydrophobicContact CB-CE2 3.53Å; K90-F100 HydrophobicContact CB-CZ 4.26Å; I98-F100 HydrophobicContact CG2-CD1 4.23Å; I98-F100 HydrophobicContact CG2-CE1 3.89Å; I98-F100 HydrophobicContact CG2-CZ 4.15Å
101G94.3Very high92.5Very high3 Ų386.1 Ų86.13%0.03143%0.426CS..EExtended strand (participates in β ladder)trans-163.9153.6178.600000112.4V87 W88V87-G101 WeakPolarHBondContact CA-O 3.4Å; W88-G101 PolarHBondContact N-O 3.43Å; W88-G101 PolarHBondContact O-N 3.01Å
102S95.1Very high92.7Very high45 Ų4588.4 Ų88.432%0.31544%0.441SS..EExtended strand (participates in β ladder)trans-137.2131.6173.4168.60000108.7N85 F86N85-S102 PolarHBondContact OD1-OG 3.47Å; F86-S102 CarbonylContact O-C 3.36Å; F86-S102 WeakPolarHBondContact O-CA 3.29Å
103F95.6Very high92.9Very high5 Ų588.5 Ų88.52%0.02244%0.439CS..EExtended strand (participates in β ladder)trans-128122.8-172-51.9-84.4000108.5V27 T37 V39 L47 F86 L105V27-F103 HydrophobicContact CG2-CG 4.47Å; T37-F103 HydrophobicContact CG2-CB 4.15Å; V39-F103 HydrophobicContact CG2-CD1 3.5Å; V39-F103 VanDerWaalsContact CG2-CD1 3.5Å; V39-F103 HydrophobicContact CG2-CE1 3.73Å; L47-F103 HydrophobicContact CD1-CE1 3.87Å; L47-F103 HydrophobicContact CD1-CZ 4.35Å; F86-F103 HydrophobicContact CB-CB 4.32Å; F86-F103 HydrophobicContact CD1-CB 4.25Å; F86-F103 AromaticContact CD1-CD2 3.49Å; F86-F103 HydrophobicContact CD1-CD2 3.49Å; F86-F103 VanDerWaalsContact CD1-CD2 3.49Å; F86-F103 HydrophobicContact CD1-CE2 4.22Å; F86-F103 HydrophobicContact CD1-CG 4.22Å; F86-F103 HydrophobicContact CE1-CD2 4.02Å; F86-F103 HydrophobicContact CE1-CE2 4.3Å; F86-F103 PolarHBondContact N-O 3.44Å; F86-F103 PolarHBondContact O-N 3.05Å; F103-L105 HydrophobicContact CB-CD1 3.91Å; F103-L105 WeakPolarHBondContact O-CD1 3.41Å
104Y96.5Very high93.1Very high121 Ų12182.9 Ų82.948%0.47542%0.419SS..EExtended strand (participates in β ladder)trans-93.5109.7176.2-71.5-84.6000109.4T37 E80 V83 L84 N85T37-Y104 VanDerWaalsContact CB-O 3.3Å; T37-Y104 WeakPolarHBondContact CB-O 3.46Å; T37-Y104 PolarHBondContact OG1-O 3.46Å; E80-Y104 WeakPolarHBondContact OE2-CE1 3.5Å; V83-Y104 HydrophobicContact CG1-CD1 4.04Å; L84-Y104 CarbonylContact O-C 3.59Å; L84-Y104 WeakPolarHBondContact O-CA 3.44Å; N85-Y104 HydrophobicContact CB-CD1 4.26Å; N85-Y104 HydrophobicContact CB-CE1 4.02Å
105L97.3Very high93.3Very high0 Ų075.9 Ų75.90%039%0.391CS..EExtended strand (participates in β ladder)trans-94.6119.4-178.5-68.964.1000109.7V27 A29 W35 T37 V83 L84 F86 F103V27-L105 HydrophobicContact CG1-CD1 4.43Å; V27-L105 HydrophobicContact CG1-CD2 4.12Å; A29-L105 HydrophobicContact CB-CD2 3.58Å; W35-L105 HydrophobicContact CB-CB 3.73Å; W35-L105 HydrophobicContact CB-CD2 4.4Å; T37-L105 HydrophobicContact CG2-CD1 3.92Å; T37-L105 HydrophobicContact CG2-CG 3.96Å; V83-L105 WeakPolarHBondContact CA-O 3.49Å; V83-L105 WeakPolarHBondContact CG1-O 3.41Å; L84-L105 HydrophobicContact CB-CB 4.26Å; L84-L105 PolarHBondContact N-O 3.43Å; L84-L105 PolarHBondContact O-N 3.02Å; F86-L105 HydrophobicContact CB-CD1 3.55Å; F103-L105 HydrophobicContact CB-CD1 3.91Å; F103-L105 WeakPolarHBondContact O-CD1 3.41Å
106K96.7Very high93.6Very high147 Ų14776.3 Ų76.364%0.63938%0.383SS*.EExtended strand (participates in β ladder)trans-86.4144.5179.8-66.3176.9-177.8175.70109.9W35 H36 S108W35-K106 CarbonylContact C-O 3.57Å; W35-K106 WeakPolarHBondContact CA-O 3.46Å; H36-K106 PolarHBondContact N-O 2.91Å; H36-K106 PolarHBondContact O-N 2.94Å; K106-S108 PolarHBondContact O-N 3.34Å
107P96.4Very high93.7Very high52 Ų5277.4 Ų77.434%0.33839%0.386SS..EExtended strand (participates in β ladder)trans-62.7136.2175.226.4-31.5000109.6A82A82-P107 HydrophobicContact CB-CG 4.47Å; A82-P107 WeakPolarHBondContact O-CD 3.35Å
108S94.4Very high93.7Very high27 Ų2772.8 Ų72.819%0.18937%0.367CS..PPolyproline II helixtrans-78.2133.4173.3176.50000110.2L34 K106 N110 S114L34-S108 VanDerWaalsContact CD2-CB 3.44Å; L34-S108 PolarHBondContact O-N 2.8Å; K106-S108 PolarHBondContact O-N 3.34Å; S108-N110 VanDerWaalsContact C-N 3.28Å; S108-N110 PolarHBondContact OG-N 3.47Å; S108-N110 PolarHBondContact OG-O 2.96Å; S108-S114 PolarHBondContact OG-OG 3.19Å
109Y90.7Very high93.7Very high235 Ų23572.8 Ų72.892%0.92237%0.371SS*.SBendtrans-71.2-24.5173.9-62-76.2000112.6
110N92.3Very high93.6Very high74 Ų7469.3 Ų69.340%0.39636%0.359SS..  trans-133.178.7177.6-162.1-10.2000110.9S108 L112 E113 S114S108-N110 VanDerWaalsContact C-N 3.28Å; S108-N110 PolarHBondContact OG-N 3.47Å; S108-N110 PolarHBondContact OG-O 2.96Å; N110-L112 VanDerWaalsContact C-N 3.27Å; N110-L112 PolarHBondContact O-N 3.33Å; N110-E113 HydrophobicContact CB-CB 4.04Å; N110-E113 WeakPolarHBondContact ND2-CB 3.22Å; N110-E113 PolarHBondContact ND2-OE2 3.5Å; N110-E113 PolarHBondContact O-N 3.47Å; N110-S114 PolarHBondContact O-N 3.41Å; N110-S114 PolarHBondContact O-OG 3.05Å
111P92.4Very high93.5Very high53 Ų5371.3 Ų71.334%0.34437%0.371SS..Hα-helixtrans-56.4-36.4-174.3-28.536.4000114.4L34 L115L34-P111 HydrophobicContact CB-CB 3.82Å; L34-P111 HydrophobicContact CB-CG 4.41Å; P111-L115 VanDerWaalsContact O-CB 3.24Å; P111-L115 WeakPolarHBondContact O-CB 3.33Å; P111-L115 PolarHBondContact O-N 3.24Å
112L92.2Very high93.3Very high140 Ų14073.7 Ų73.773%0.73338%0.383SS*.Hα-helixtrans-71.1-42.5-178.4-68.1177.5000111.8N110 L115 S116N110-L112 VanDerWaalsContact C-N 3.27Å; N110-L112 PolarHBondContact O-N 3.33Å; L112-L115 PolarHBondContact O-N 3Å; L112-S116 WeakPolarHBondContact O-CB 3.25Å; L112-S116 PolarHBondContact O-N 3.31Å
113E92.9Very high93.3Very high105 Ų10574.1 Ų74.149%0.49139%0.389SS..Hα-helixtrans-64.4-47.7175.9-174171.5-153.500110.7N110 L115 S116 E117N110-E113 HydrophobicContact CB-CB 4.04Å; N110-E113 WeakPolarHBondContact ND2-CB 3.22Å; N110-E113 PolarHBondContact ND2-OE2 3.5Å; N110-E113 PolarHBondContact O-N 3.47Å; E113-L115 VanDerWaalsContact C-N 3.29Å; E113-L115 PolarHBondContact O-N 3.48Å; E113-S116 WeakPolarHBondContact O-CB 3.36Å; E113-S116 PolarHBondContact O-N 3.31Å; E113-S116 VanDerWaalsContact O-N 3.12Å; E113-E117 WeakPolarHBondContact O-CG 3.19Å; E113-E117 PolarHBondContact O-N 2.96Å
114S91.3Very high93.2Very high33 Ų3378.6 Ų78.623%0.23141%0.413CS..Hα-helixtrans-60.1-38176.2-56.40000112.9S108 N110 L118S108-S114 PolarHBondContact OG-OG 3.19Å; N110-S114 PolarHBondContact O-N 3.41Å; N110-S114 PolarHBondContact O-OG 3.05Å; S114-L118 WeakPolarHBondContact O-CB 3.37Å; S114-L118 PolarHBondContact O-N 2.95Å
115L92.1Very high92.9Very high62 Ų6274.4 Ų74.433%0.32540%0.399SS..Hα-helixtrans-70.1-39176.5-174.363000111.4I30 L34 P111 L112 E113 L118 T119I30-L115 HydrophobicContact CD1-CD1 3.88Å; L34-L115 HydrophobicContact CD1-CB 4.16Å; P111-L115 VanDerWaalsContact O-CB 3.24Å; P111-L115 WeakPolarHBondContact O-CB 3.33Å; P111-L115 PolarHBondContact O-N 3.24Å; L112-L115 PolarHBondContact O-N 3Å; E113-L115 VanDerWaalsContact C-N 3.29Å; E113-L115 PolarHBondContact O-N 3.48Å; L115-L118 PolarHBondContact O-N 3.47Å; L115-T119 HydrophobicContact CD1-CG2 4.22Å; L115-T119 HydrophobicContact CG-CG2 4.38Å; L115-T119 WeakPolarHBondContact O-CB 3.4Å; L115-T119 VanDerWaalsContact O-CG2 3.27Å; L115-T119 WeakPolarHBondContact O-CG2 3.29Å; L115-T119 PolarHBondContact O-N 2.91Å; L115-T119 PolarHBondContact O-OG1 3.33Å
116S93.6Very high92.7Very high79 Ų7979.3 Ų79.355%0.55243%0.425SS*.Hα-helixtrans-61.9-43.9175-173.50000111.3L112 E113 T119 G120L112-S116 WeakPolarHBondContact O-CB 3.25Å; L112-S116 PolarHBondContact O-N 3.31Å; E113-S116 WeakPolarHBondContact O-CB 3.36Å; E113-S116 PolarHBondContact O-N 3.31Å; E113-S116 VanDerWaalsContact O-N 3.12Å; S116-T119 WeakPolarHBondContact CA-OG1 3.3Å; S116-T119 PolarHBondContact O-OG1 2.85Å; S116-T119 VanDerWaalsContact O-OG1 3.07Å; S116-G120 PolarHBondContact O-N 2.71Å
117E91.7Very high92.6Very high120 Ų12078.9 Ų78.956%0.56142%0.423SS*.Hα-helixtrans-62.9-48.8175.7-71.6177.9171.600112E113 T119 G120 L121E113-E117 WeakPolarHBondContact O-CG 3.19Å; E113-E117 PolarHBondContact O-N 2.96Å; E117-T119 PolarHBondContact O-N 3.36Å; E117-G120 PolarHBondContact O-N 3.11Å; E117-L121 WeakPolarHBondContact O-CB 3.42Å; E117-L121 VanDerWaalsContact O-CG 3.31Å; E117-L121 WeakPolarHBondContact O-CG 3.31Å; E117-L121 PolarHBondContact O-N 3.25Å
118L90.7Very high92.4Very high18 Ų1881.5 Ų81.59%0.09443%0.431CS..Hα-helixtrans-60.5-46.7178.6178.763.5000111.7I17 V19 T28 S114 L115 L121 I122I17-L118 HydrophobicContact CD1-CD2 4.14Å; V19-L118 HydrophobicContact CG2-CD1 3.87Å; T28-L118 HydrophobicContact CG2-CD2 4.15Å; S114-L118 WeakPolarHBondContact O-CB 3.37Å; S114-L118 PolarHBondContact O-N 2.95Å; L115-L118 PolarHBondContact O-N 3.47Å; L118-L121 PolarHBondContact O-N 3Å; L118-I122 HydrophobicContact CD1-CD1 3.98Å; L118-I122 HydrophobicContact CD1-CG1 4.46Å; L118-I122 HydrophobicContact CG-CD1 4.02Å; L118-I122 WeakPolarHBondContact O-CG1 3.41Å; L118-I122 PolarHBondContact O-N 3.22Å
119T92.2Very high92.2Very high74 Ų7483 Ų8345%0.45444%0.442SS..Hα-helixtrans-67.6-38.9179.352.60000111.6L115 S116 E117 I122 A123L115-T119 HydrophobicContact CD1-CG2 4.22Å; L115-T119 HydrophobicContact CG-CG2 4.38Å; L115-T119 WeakPolarHBondContact O-CB 3.4Å; L115-T119 VanDerWaalsContact O-CG2 3.27Å; L115-T119 WeakPolarHBondContact O-CG2 3.29Å; L115-T119 PolarHBondContact O-N 2.91Å; L115-T119 PolarHBondContact O-OG1 3.33Å; S116-T119 WeakPolarHBondContact CA-OG1 3.3Å; S116-T119 PolarHBondContact O-OG1 2.85Å; S116-T119 VanDerWaalsContact O-OG1 3.07Å; E117-T119 PolarHBondContact O-N 3.36Å; T119-I122 PolarHBondContact O-N 3.41Å; T119-A123 WeakPolarHBondContact O-CB 3.43Å; T119-A123 PolarHBondContact O-N 3.34Å
120G93.8Very high92.4Very high28 Ų2876.7 Ų76.729%0.28942%0.423SS..Hα-helixtrans-60.9-43.2172.500000112.8S116 E117 N124S116-G120 PolarHBondContact O-N 2.71Å; E117-G120 PolarHBondContact O-N 3.11Å; G120-N124 VanDerWaalsContact O-CB 3.29Å; G120-N124 WeakPolarHBondContact O-CB 3.44Å; G120-N124 PolarHBondContact O-N 3.01Å; G120-N124 PolarHBondContact O-ND2 2.93Å; G120-N124 VanDerWaalsContact O-ND2 3.14Å
121L90.6Very high92.6Very high76 Ų7678 Ų7840%0.39843%0.429SS..Hα-helixtrans-62-48.5175.4-75.9169.6000112E117 L118 N125E117-L121 WeakPolarHBondContact O-CB 3.42Å; E117-L121 VanDerWaalsContact O-CG 3.31Å; E117-L121 WeakPolarHBondContact O-CG 3.31Å; E117-L121 PolarHBondContact O-N 3.25Å; L118-L121 PolarHBondContact O-N 3Å; L121-N125 PolarHBondContact O-N 3.45Å
122I91.8Very high92.7Very high54 Ų5478.2 Ų78.228%0.27743%0.431SS..Hα-helixtrans-64.4-44.4179.2-66.2168.5000110.6I3 V19 L118 T119 N125 L126I3-I122 HydrophobicContact CD1-CG1 4.06Å; V19-I122 HydrophobicContact CG2-CD1 4.43Å; L118-I122 HydrophobicContact CD1-CD1 3.98Å; L118-I122 HydrophobicContact CD1-CG1 4.46Å; L118-I122 HydrophobicContact CG-CD1 4.02Å; L118-I122 WeakPolarHBondContact O-CG1 3.41Å; L118-I122 PolarHBondContact O-N 3.22Å; T119-I122 PolarHBondContact O-N 3.41Å; I122-N125 PolarHBondContact O-N 3.26Å; I122-L126 WeakPolarHBondContact O-CB 3.46Å; I122-L126 PolarHBondContact O-N 2.9Å
123A93.8Very high92.8Very high54 Ų5474.6 Ų74.645%0.44642%0.417SS..Hα-helixtrans-64.4-41.7179.700000112.4T119 L126 K127T119-A123 WeakPolarHBondContact O-CB 3.43Å; T119-A123 PolarHBondContact O-N 3.34Å; A123-L126 PolarHBondContact O-N 2.83Å; A123-K127 WeakPolarHBondContact O-CB 3.45Å; A123-K127 PolarHBondContact O-N 3.35Å
124N93.1Very high93Very high98 Ų9872.5 Ų72.552%0.52441%0.413SS..Hα-helixtrans-64.1-43.7175.6-75-27.7000111.5G120 L126 K127 E128G120-N124 VanDerWaalsContact O-CB 3.29Å; G120-N124 WeakPolarHBondContact O-CB 3.44Å; G120-N124 PolarHBondContact O-N 3.01Å; G120-N124 PolarHBondContact O-ND2 2.93Å; G120-N124 VanDerWaalsContact O-ND2 3.14Å; N124-L126 VanDerWaalsContact C-N 3.34Å; N124-L126 PolarHBondContact O-N 3.26Å; N124-K127 WeakPolarHBondContact O-CB 3.42Å; N124-K127 PolarHBondContact O-N 3.05Å; N124-E128 WeakPolarHBondContact O-CG 3.26Å; N124-E128 PolarHBondContact O-N 3.29Å
125N91.1Very high93.3Very high33 Ų3374.6 Ų74.618%0.17642%0.422CS..Hα-helixtrans-65.1-38.3176.4-171.664.5000112.3I3 L121 I122 K127 E128 S129I3-N125 HydrophobicContact CB-CB 4.19Å; I3-N125 WeakPolarHBondContact CB-ND2 2.94Å; I3-N125 HydrophobicContact CD1-CB 3.9Å; I3-N125 HydrophobicContact CG1-CB 4.2Å; I3-N125 PolarHBondContact N-OD1 2.93Å; I3-N125 PolarHBondContact O-ND2 3.32Å; L121-N125 PolarHBondContact O-N 3.45Å; I122-N125 PolarHBondContact O-N 3.26Å; N125-K127 VanDerWaalsContact C-N 3.34Å; N125-E128 PolarHBondContact O-N 2.88Å; N125-S129 WeakPolarHBondContact O-CB 3.18Å; N125-S129 PolarHBondContact O-N 3.33Å
126L92.4Very high93.5Very high104 Ų10478.7 Ų78.755%0.54544%0.438SS..Hα-helixtrans-62.2-43173.9-179.661.4000111I122 A123 N124 S129 I130I122-L126 WeakPolarHBondContact O-CB 3.46Å; I122-L126 PolarHBondContact O-N 2.9Å; A123-L126 PolarHBondContact O-N 2.83Å; N124-L126 VanDerWaalsContact C-N 3.34Å; N124-L126 PolarHBondContact O-N 3.26Å; L126-S129 PolarHBondContact O-N 3.28Å; L126-I130 HydrophobicContact CD1-CD1 4.22Å; L126-I130 HydrophobicContact CD1-CG1 4.42Å; L126-I130 HydrophobicContact CG-CD1 3.99Å; L126-I130 VanDerWaalsContact O-CG1 3.27Å; L126-I130 WeakPolarHBondContact O-CG1 3.38Å; L126-I130 PolarHBondContact O-N 3.32Å
127K94.6Very high93.7Very high138 Ų13880.8 Ų80.860%0.644%0.439SS*.Hα-helixtrans-60.6-46.4175.5-176.2-177.2178.2-176.80111.8A123 N124 N125 S129 I130 L131A123-K127 WeakPolarHBondContact O-CB 3.45Å; A123-K127 PolarHBondContact O-N 3.35Å; N124-K127 WeakPolarHBondContact O-CB 3.42Å; N124-K127 PolarHBondContact O-N 3.05Å; N125-K127 VanDerWaalsContact C-N 3.34Å; K127-S129 VanDerWaalsContact C-N 3.34Å; K127-I130 PolarHBondContact O-N 3.23Å; K127-L131 WeakPolarHBondContact O-CG 3.41Å; K127-L131 PolarHBondContact O-N 2.93Å
128E92.8Very high94Very high106 Ų10681.9 Ų81.950%0.49544%0.438SS..Hα-helixtrans-60.9-42.7175.2-73.3178.3-178.800111.7N124 N125 I130 L131 C132N124-E128 WeakPolarHBondContact O-CG 3.26Å; N124-E128 PolarHBondContact O-N 3.29Å; N125-E128 PolarHBondContact O-N 2.88Å; E128-I130 PolarHBondContact O-N 3.38Å; E128-L131 PolarHBondContact O-N 2.94Å; E128-C132 WeakPolarHBondContact O-CB 3.28Å; E128-C132 PolarHBondContact O-N 2.92Å
129S91.1Very high94.3Very high60 Ų6084.8 Ų84.842%0.4245%0.451SS..Hα-helixtrans-62.3-41.4176.5-171.90000112.2N125 L126 K127 C132 C133N125-S129 WeakPolarHBondContact O-CB 3.18Å; N125-S129 PolarHBondContact O-N 3.33Å; L126-S129 PolarHBondContact O-N 3.28Å; K127-S129 VanDerWaalsContact C-N 3.34Å; S129-C132 PolarHBondContact O-N 3.46Å; S129-C133 PolarHBondContact O-N 3.37Å; S129-C133 PolarHBondContact O-SG 3.14Å
130I94.7Very high94.6Very high102 Ų10285.1 Ų85.152%0.52345%0.45SS..Hα-helixtrans-64.5-43.7177.4-70.5165000110.8L126 K127 E128 C132 C133 S134L126-I130 HydrophobicContact CD1-CD1 4.22Å; L126-I130 HydrophobicContact CD1-CG1 4.42Å; L126-I130 HydrophobicContact CG-CD1 3.99Å; L126-I130 VanDerWaalsContact O-CG1 3.27Å; L126-I130 WeakPolarHBondContact O-CG1 3.38Å; L126-I130 PolarHBondContact O-N 3.32Å; K127-I130 PolarHBondContact O-N 3.23Å; E128-I130 PolarHBondContact O-N 3.38Å; I130-C132 VanDerWaalsContact C-N 3.35Å; I130-C132 PolarHBondContact O-N 2.94Å; I130-C133 PolarHBondContact O-N 3.48Å; I130-S134 PolarHBondContact O-N 3.16Å
131L95.5Very high94.8Very high101 Ų10190.3 Ų90.353%0.52947%0.466SS..Hα-helixtrans-60.9-44.8176.2-71172000111.5K127 E128 C133 S134 D135K127-L131 WeakPolarHBondContact O-CG 3.41Å; K127-L131 PolarHBondContact O-N 2.93Å; E128-L131 PolarHBondContact O-N 2.94Å; L131-C133 PolarHBondContact O-N 3.05Å; L131-S134 WeakPolarHBondContact O-CB 3.35Å; L131-S134 PolarHBondContact O-N 2.88Å; L131-D135 PolarHBondContact O-N 2.97Å
132C94.3Very high95.1Very high58 Ų5892.5 Ų92.539%0.39247%0.473SS..Hα-helixtrans-60.5-43.2176.3-170.90000112.1E128 S129 I130 S134 D135 F136E128-C132 WeakPolarHBondContact O-CB 3.28Å; E128-C132 PolarHBondContact O-N 2.92Å; S129-C132 PolarHBondContact O-N 3.46Å; I130-C132 VanDerWaalsContact C-N 3.35Å; I130-C132 PolarHBondContact O-N 2.94Å; C132-S134 VanDerWaalsContact C-N 3.35Å; C132-S134 PolarHBondContact O-N 2.95Å; C132-D135 PolarHBondContact O-N 3.34Å; C132-F136 VanDerWaalsContact O-CD2 3.24Å; C132-F136 WeakPolarHBondContact O-CD2 3.48Å; C132-F136 PolarHBondContact O-N 2.96Å; C132-F136 WeakPolarHBondContact SG-CE2 3.46Å
133C95.2Very high95.4Very high64 Ų6494.5 Ų94.543%0.43248%0.483SS..Hα-helixtrans-59.7-43.8173.8-710000112.1S129 I130 L131 D135 F136 E137S129-C133 PolarHBondContact O-N 3.37Å; S129-C133 PolarHBondContact O-SG 3.14Å; I130-C133 PolarHBondContact O-N 3.48Å; L131-C133 PolarHBondContact O-N 3.05Å; C133-D135 VanDerWaalsContact C-N 3.35Å; C133-D135 PolarHBondContact O-N 2.93Å; C133-F136 PolarHBondContact O-N 3.35Å; C133-E137 WeakPolarHBondContact O-CG 3.36Å; C133-E137 PolarHBondContact O-N 3.29Å
134S96.5Very high95.6Very high60 Ų6097.5 Ų97.542%0.4249%0.487SS..Hα-helixtrans-64-38.7177.7-1750000112.5I130 L131 C132 E137 R138I130-S134 PolarHBondContact O-N 3.16Å; L131-S134 WeakPolarHBondContact O-CB 3.35Å; L131-S134 PolarHBondContact O-N 2.88Å; C132-S134 VanDerWaalsContact C-N 3.35Å; C132-S134 PolarHBondContact O-N 2.95Å; S134-E137 PolarHBondContact O-N 3.48Å; S134-R138 PolarHBondContact O-N 3.05Å
135D97.2Very high95.9Very high77 Ų7796 Ų9641%0.41248%0.483SS..Hα-helixtrans-64-41.2173.9-75-26000111.9L131 C132 C133 R138 E139L131-D135 PolarHBondContact O-N 2.97Å; C132-D135 PolarHBondContact O-N 3.34Å; C133-D135 VanDerWaalsContact C-N 3.35Å; C133-D135 PolarHBondContact O-N 2.93Å; D135-R138 PolarHBondContact O-N 3.27Å; D135-R138 IonicContact OD1-CZ 3.15Å; D135-R138 IonicContact OD1-NH1 2.79Å; D135-R138 PolarHBondContact OD1-NH1 3.08Å; D135-R138 IonicContact OD1-NH2 2.71Å; D135-R138 PolarHBondContact OD1-NH2 3.45Å; D135-E139 PolarHBondContact O-N 3.13Å
136F97Very high96.2Very high148 Ų14899.3 Ų99.365%0.64950%0.501SS*.Hα-helixtrans-65.3-38.5174.3-76.7-50.2000112.9C132 C133 E139 N140C132-F136 VanDerWaalsContact O-CD2 3.24Å; C132-F136 WeakPolarHBondContact O-CD2 3.48Å; C132-F136 PolarHBondContact O-N 2.96Å; C132-F136 WeakPolarHBondContact SG-CE2 3.46Å; C133-F136 PolarHBondContact O-N 3.35Å; F136-E139 PolarHBondContact O-N 2.86Å; F136-N140 VanDerWaalsContact O-CB 3.23Å; F136-N140 WeakPolarHBondContact O-CB 3.45Å; F136-N140 PolarHBondContact O-N 2.95Å
137E97.7Very high96.5Very high124 Ų12496.8 Ų96.858%0.57950%0.495SS*.Hα-helixtrans-61.7-46.7174.7-74.7173.1168.500111.1C133 S134 E139 N140 E141C133-E137 WeakPolarHBondContact O-CG 3.36Å; C133-E137 PolarHBondContact O-N 3.29Å; S134-E137 PolarHBondContact O-N 3.48Å; E137-E139 PolarHBondContact O-N 2.99Å; E137-N140 WeakPolarHBondContact O-CB 3.21Å; E137-N140 PolarHBondContact O-N 2.93Å; E137-E141 WeakPolarHBondContact O-CG 3.44Å; E137-E141 PolarHBondContact O-N 3.46Å
138R97.5Very high96.6Very high143 Ų14395.1 Ų95.154%0.5449%0.492SS..Hα-helixtrans-60.4-44.7176.5-175.2179.765.6-122.3-4.4112.4S134 D135 N140 E141 K142S134-R138 PolarHBondContact O-N 3.05Å; D135-R138 PolarHBondContact O-N 3.27Å; D135-R138 IonicContact OD1-CZ 3.15Å; D135-R138 IonicContact OD1-NH1 2.79Å; D135-R138 PolarHBondContact OD1-NH1 3.08Å; D135-R138 IonicContact OD1-NH2 2.71Å; D135-R138 PolarHBondContact OD1-NH2 3.45Å; R138-N140 VanDerWaalsContact C-N 3.35Å; R138-E141 PolarHBondContact O-N 2.92Å; R138-K142 PolarHBondContact O-N 3.05Å
139E97.8Very high96.9Very high79 Ų7993.6 Ų93.637%0.36949%0.49SS..Hα-helixtrans-68.6-35.8178-168.362.5-158.100111.5D135 F136 E137 K142 L143D135-E139 PolarHBondContact O-N 3.13Å; F136-E139 PolarHBondContact O-N 2.86Å; E137-E139 PolarHBondContact O-N 2.99Å; E139-K142 PolarHBondContact O-N 2.91Å; E139-K142 IonicContact OE1-NZ 3.49Å; E139-K142 PolarHBondContact OE1-NZ 2.86Å; E139-K142 IonicContact OE2-NZ 3.5Å; E139-K142 PolarHBondContact OE2-NZ 3.46Å; E139-L143 HydrophobicContact CG-CD1 4.36Å; E139-L143 HydrophobicContact CG-CG 4.49Å; E139-L143 WeakPolarHBondContact O-CB 3.33Å; E139-L143 VanDerWaalsContact O-CG 3.3Å; E139-L143 WeakPolarHBondContact O-CG 3.33Å; E139-L143 PolarHBondContact O-N 3.42Å
140N97.8Very high97.2Very high80 Ų8093.8 Ų93.843%0.42849%0.491SS..Hα-helixtrans-63-43.5174.5-17210.2000111.8F136 E137 R138 L143 K144F136-N140 VanDerWaalsContact O-CB 3.23Å; F136-N140 WeakPolarHBondContact O-CB 3.45Å; F136-N140 PolarHBondContact O-N 2.95Å; E137-N140 WeakPolarHBondContact O-CB 3.21Å; E137-N140 PolarHBondContact O-N 2.93Å; R138-N140 VanDerWaalsContact C-N 3.35Å; N140-L143 PolarHBondContact O-N 2.82Å; N140-K144 WeakPolarHBondContact O-CB 3.39Å; N140-K144 VanDerWaalsContact O-CG 3.31Å; N140-K144 WeakPolarHBondContact O-CG 3.39Å; N140-K144 PolarHBondContact O-N 3.43Å; N140-K144 WeakPolarHBondContact OD1-CE 3.45Å
141E97.8Very high97.3Very high137 Ų13792.5 Ų92.564%0.6449%0.488SS*.Hα-helixtrans-60.5-44.8173.7-73.1-179.7168.200112.1E137 R138 K144 S145E137-E141 WeakPolarHBondContact O-CG 3.44Å; E137-E141 PolarHBondContact O-N 3.46Å; R138-E141 PolarHBondContact O-N 2.92Å; E141-K144 PolarHBondContact O-N 3.02Å; E141-S145 PolarHBondContact O-N 3.38Å
142K98.1Very high97.4Very high123 Ų12394 Ų9454%0.53549%0.49SS..Hα-helixtrans-60.6-46.5175.5-176.9-175.4167.6-156.40111.7R138 E139 K144 S145 L146R138-K142 PolarHBondContact O-N 3.05Å; E139-K142 PolarHBondContact O-N 2.91Å; E139-K142 IonicContact OE1-NZ 3.49Å; E139-K142 PolarHBondContact OE1-NZ 2.86Å; E139-K142 IonicContact OE2-NZ 3.5Å; E139-K142 PolarHBondContact OE2-NZ 3.46Å; K142-K144 PolarHBondContact O-N 2.86Å; K142-S145 PolarHBondContact O-N 3.47Å; K142-S145 PolarHBondContact O-OG 2.81Å; K142-L146 PolarHBondContact O-N 2.89Å
143L98.2Very high97.6Very high95 Ų9597.3 Ų97.350%0.49750%0.498SS..Hα-helixtrans-62.1-40.9176.8-74.6173.5000112.2E139 N140 L146 A147E139-L143 HydrophobicContact CG-CD1 4.36Å; E139-L143 HydrophobicContact CG-CG 4.49Å; E139-L143 WeakPolarHBondContact O-CB 3.33Å; E139-L143 VanDerWaalsContact O-CG 3.3Å; E139-L143 WeakPolarHBondContact O-CG 3.33Å; E139-L143 PolarHBondContact O-N 3.42Å; N140-L143 PolarHBondContact O-N 2.82Å; L143-L146 PolarHBondContact O-N 3.35Å; L143-A147 WeakPolarHBondContact O-CB 3.27Å; L143-A147 PolarHBondContact O-N 2.9Å
144K98.1Very high97.7Very high118 Ų118102.1 Ų102.151%0.51351%0.509SS..Hα-helixtrans-59.9-47.7173.2-75.3172.9-178.3173.80111.5N140 E141 K142 L146 A147 D148N140-K144 WeakPolarHBondContact O-CB 3.39Å; N140-K144 VanDerWaalsContact O-CG 3.31Å; N140-K144 WeakPolarHBondContact O-CG 3.39Å; N140-K144 PolarHBondContact O-N 3.43Å; N140-K144 WeakPolarHBondContact OD1-CE 3.45Å; E141-K144 PolarHBondContact O-N 3.02Å; K142-K144 PolarHBondContact O-N 2.86Å; K144-L146 VanDerWaalsContact C-N 3.3Å; K144-L146 PolarHBondContact O-N 2.85Å; K144-A147 WeakPolarHBondContact O-CB 3.36Å; K144-A147 PolarHBondContact O-N 3.48Å; K144-D148 PolarHBondContact O-N 3.32Å
145S97.9Very high97.8Very high65 Ų65104.5 Ų104.546%0.45551%0.513SS..Hα-helixtrans-61-39.3178.177.60000112.5E141 K142 D148 V149E141-S145 PolarHBondContact O-N 3.38Å; K142-S145 PolarHBondContact O-N 3.47Å; K142-S145 PolarHBondContact O-OG 2.81Å; S145-D148 PolarHBondContact O-N 3.27Å; S145-V149 WeakPolarHBondContact O-CG2 3.45Å; S145-V149 PolarHBondContact O-N 3.41Å
146L98.1Very high97.8Very high104 Ų104106.2 Ų106.255%0.54552%0.519SS..Hα-helixtrans-67.8-39.8177.1-178.163.6000111.4K142 L143 K144 S150K142-L146 PolarHBondContact O-N 2.89Å; L143-L146 PolarHBondContact O-N 3.35Å; K144-L146 VanDerWaalsContact C-N 3.3Å; K144-L146 PolarHBondContact O-N 2.85Å; L146-S150 WeakPolarHBondContact O-CB 3.34Å; L146-S150 PolarHBondContact O-N 3.03Å; L146-S150 PolarHBondContact O-OG 3.26Å
147A98.1Very high97.9Very high51 Ų51102.7 Ų102.742%0.42151%0.509SS..Hα-helixtrans-62.3-46.4174.700000110.9L143 K144 V149 S150 V151L143-A147 WeakPolarHBondContact O-CB 3.27Å; L143-A147 PolarHBondContact O-N 2.9Å; K144-A147 WeakPolarHBondContact O-CB 3.36Å; K144-A147 PolarHBondContact O-N 3.48Å; A147-V149 PolarHBondContact O-N 2.93Å; A147-S150 WeakPolarHBondContact O-CB 3.48Å; A147-S150 PolarHBondContact O-N 2.85Å; A147-S150 VanDerWaalsContact O-N 3.12Å; A147-V151 WeakPolarHBondContact O-CG2 3.48Å; A147-V151 PolarHBondContact O-N 2.68Å
148D98Very high97.9Very high102 Ų10299.1 Ų99.155%0.54550%0.495SS..Hα-helixtrans-60.6-43.7178-70.7-20.1000112.2K144 S145 S150 V151 K152K144-D148 PolarHBondContact O-N 3.32Å; S145-D148 PolarHBondContact O-N 3.27Å; D148-S150 VanDerWaalsContact C-N 3.32Å; D148-S150 PolarHBondContact O-N 3.13Å; D148-V151 PolarHBondContact O-N 3.48Å; D148-K152 WeakPolarHBondContact O-CG 3.39Å; D148-K152 PolarHBondContact O-N 2.93Å
149V98Very high97.9Very high74 Ų7495.4 Ų95.445%0.44849%0.491SS..Hα-helixtrans-62.7-40.5174.5170.60000111.3S145 A147 K152 K153S145-V149 WeakPolarHBondContact O-CG2 3.45Å; S145-V149 PolarHBondContact O-N 3.41Å; A147-V149 PolarHBondContact O-N 2.93Å; V149-K152 PolarHBondContact O-N 2.96Å; V149-K153 HydrophobicContact CG1-CD 4.38Å; V149-K153 WeakPolarHBondContact O-CG 3.38Å; V149-K153 PolarHBondContact O-N 3.49Å
150S97.5Very high97.9Very high64 Ų6496.6 Ų96.645%0.44850%0.497SS..Hα-helixtrans-67.5-40180-58.60000111.9L146 A147 D148 K153 Y154L146-S150 WeakPolarHBondContact O-CB 3.34Å; L146-S150 PolarHBondContact O-N 3.03Å; L146-S150 PolarHBondContact O-OG 3.26Å; A147-S150 WeakPolarHBondContact O-CB 3.48Å; A147-S150 PolarHBondContact O-N 2.85Å; A147-S150 VanDerWaalsContact O-N 3.12Å; D148-S150 VanDerWaalsContact C-N 3.32Å; D148-S150 PolarHBondContact O-N 3.13Å; S150-K153 PolarHBondContact O-N 3.08Å; S150-Y154 WeakPolarHBondContact O-CB 3.47Å; S150-Y154 PolarHBondContact O-N 3.34Å
151V98Very high97.8Very high75 Ų7597.2 Ų97.246%0.45550%0.499SS..Hα-helixtrans-62.6-47.5174.6170.60000110.6A147 D148 K153 Y154 E155A147-V151 WeakPolarHBondContact O-CG2 3.48Å; A147-V151 PolarHBondContact O-N 2.68Å; D148-V151 PolarHBondContact O-N 3.48Å; V151-K153 PolarHBondContact O-N 3.16Å; V151-Y154 WeakPolarHBondContact O-CB 3.3Å; V151-Y154 PolarHBondContact O-N 2.83Å; V151-Y154 VanDerWaalsContact O-N 3.11Å; V151-E155 HydrophobicContact CG1-CG 4.48Å; V151-E155 WeakPolarHBondContact O-CG 3.45Å; V151-E155 PolarHBondContact O-N 3.47Å
152K97.9Very high97.8Very high132 Ų13294.5 Ų94.557%0.57449%0.489SS*.Hα-helixtrans-58.9-45.8176.9-72.8178.2-179-179.70112.5D148 V149 Y154 E155 E156D148-K152 WeakPolarHBondContact O-CG 3.39Å; D148-K152 PolarHBondContact O-N 2.93Å; V149-K152 PolarHBondContact O-N 2.96Å; K152-Y154 VanDerWaalsContact C-N 3.28Å; K152-Y154 PolarHBondContact O-N 3.46Å; K152-E155 PolarHBondContact O-N 3.2Å; K152-E156 WeakPolarHBondContact O-CG 3.38Å; K152-E156 PolarHBondContact O-N 2.93Å
153K98Very high97.8Very high129 Ų12993.4 Ų93.456%0.56149%0.489SS*.Hα-helixtrans-60.7-38.7175.5-76.4-178.2177.9-1780112.3V149 S150 V151 E156 V157V149-K153 HydrophobicContact CG1-CD 4.38Å; V149-K153 WeakPolarHBondContact O-CG 3.38Å; V149-K153 PolarHBondContact O-N 3.49Å; S150-K153 PolarHBondContact O-N 3.08Å; V151-K153 PolarHBondContact O-N 3.16Å; K153-E156 PolarHBondContact O-N 2.97Å; K153-V157 VanDerWaalsContact O-CG2 3.29Å; K153-V157 WeakPolarHBondContact O-CG2 3.47Å; K153-V157 PolarHBondContact O-N 3.15Å
154Y97.8Very high97.7Very high165 Ų16594.9 Ų94.965%0.64749%0.492SS*.Hα-helixtrans-63.9-46.9176177.3-94.3000111.3S150 V151 K152 E156 V157 V158S150-Y154 WeakPolarHBondContact O-CB 3.47Å; S150-Y154 PolarHBondContact O-N 3.34Å; V151-Y154 WeakPolarHBondContact O-CB 3.3Å; V151-Y154 PolarHBondContact O-N 2.83Å; V151-Y154 VanDerWaalsContact O-N 3.11Å; K152-Y154 VanDerWaalsContact C-N 3.28Å; K152-Y154 PolarHBondContact O-N 3.46Å; Y154-E156 VanDerWaalsContact C-N 3.33Å; Y154-E156 PolarHBondContact O-N 3.27Å; Y154-V157 PolarHBondContact O-N 2.98Å; Y154-V158 HydrophobicContact CD1-CG2 4.13Å; Y154-V158 HydrophobicContact CE1-CG2 3.68Å; Y154-V158 HydrophobicContact CE2-CG2 4.18Å; Y154-V158 WeakPolarHBondContact O-CG2 3.2Å; Y154-V158 PolarHBondContact O-N 3.31Å
155E97.9Very high97.7Very high109 Ų10994.4 Ų94.451%0.50949%0.491SS..Hα-helixtrans-59.9-40.9176-69.4172.3165.200112.2V151 K152 V158 S159V151-E155 HydrophobicContact CG1-CG 4.48Å; V151-E155 WeakPolarHBondContact O-CG 3.45Å; V151-E155 PolarHBondContact O-N 3.47Å; K152-E155 PolarHBondContact O-N 3.2Å; E155-V158 PolarHBondContact O-N 2.97Å; E155-S159 WeakPolarHBondContact O-CB 3.2Å; E155-S159 PolarHBondContact O-N 3.21Å; E155-S159 PolarHBondContact O-OG 2.75Å
156E97.8Very high97.6Very high114 Ų11496.6 Ų96.653%0.53350%0.497SS..Hα-helixtrans-62.3-45.9174.8-74.1170.8-170.900111.9K152 K153 Y154 S159 Q160K152-E156 WeakPolarHBondContact O-CG 3.38Å; K152-E156 PolarHBondContact O-N 2.93Å; K153-E156 PolarHBondContact O-N 2.97Å; Y154-E156 VanDerWaalsContact C-N 3.33Å; Y154-E156 PolarHBondContact O-N 3.27Å; E156-S159 PolarHBondContact O-N 2.83Å; E156-Q160 VanDerWaalsContact O-CG 3.32Å; E156-Q160 WeakPolarHBondContact O-CG 3.35Å; E156-Q160 PolarHBondContact O-N 2.85Å
157V97.8Very high97.6Very high73 Ų7396 Ų9644%0.44249%0.493SS..Hα-helixtrans-65.1-42.8178.71690000111.2K153 Y154 Q160 I161K153-V157 VanDerWaalsContact O-CG2 3.29Å; K153-V157 WeakPolarHBondContact O-CG2 3.47Å; K153-V157 PolarHBondContact O-N 3.15Å; Y154-V157 PolarHBondContact O-N 2.98Å; V157-Q160 PolarHBondContact O-N 3.37Å; V157-I161 HydrophobicContact CG1-CD1 3.83Å; V157-I161 HydrophobicContact CG1-CG1 4.46Å; V157-I161 VanDerWaalsContact O-CG1 3.29Å; V157-I161 WeakPolarHBondContact O-CG1 3.33Å; V157-I161 PolarHBondContact O-N 2.81Å
158V97.9Very high97.5Very high49 Ų4997.7 Ų97.730%0.29750%0.495SS..Hα-helixtrans-58.9-48.4175.21700000110.4Y154 E155 Q160 I161 D162Y154-V158 HydrophobicContact CD1-CG2 4.13Å; Y154-V158 HydrophobicContact CE1-CG2 3.68Å; Y154-V158 HydrophobicContact CE2-CG2 4.18Å; Y154-V158 WeakPolarHBondContact O-CG2 3.2Å; Y154-V158 PolarHBondContact O-N 3.31Å; E155-V158 PolarHBondContact O-N 2.97Å; V158-Q160 VanDerWaalsContact C-N 3.33Å; V158-Q160 PolarHBondContact O-N 3.41Å; V158-I161 WeakPolarHBondContact O-CB 3.31Å; V158-I161 PolarHBondContact O-N 3.03Å; V158-I161 VanDerWaalsContact O-N 3.08Å; V158-D162 PolarHBondContact O-N 2.89Å
159S97.4Very high97.5Very high65 Ų6597.7 Ų97.746%0.45549%0.494SS..Hα-helixtrans-59.5-42.9178.2-54.30000112.1E155 E156 I161 D162 D163E155-S159 WeakPolarHBondContact O-CB 3.2Å; E155-S159 PolarHBondContact O-N 3.21Å; E155-S159 PolarHBondContact O-OG 2.75Å; E156-S159 PolarHBondContact O-N 2.83Å; S159-I161 VanDerWaalsContact C-N 3.31Å; S159-I161 PolarHBondContact O-N 3.04Å; S159-D162 PolarHBondContact O-N 3.12Å; S159-D163 PolarHBondContact O-N 3.07Å
160Q97.5Very high97.5Very high105 Ų10598 Ų9849%0.49150%0.499SS..Hα-helixtrans-65.5-32176.3-71.9176.418.100113.4E156 V157 V158 K164E156-Q160 VanDerWaalsContact O-CG 3.32Å; E156-Q160 WeakPolarHBondContact O-CG 3.35Å; E156-Q160 PolarHBondContact O-N 2.85Å; V157-Q160 PolarHBondContact O-N 3.37Å; V158-Q160 VanDerWaalsContact C-N 3.33Å; V158-Q160 PolarHBondContact O-N 3.41Å; Q160-K164 WeakPolarHBondContact O-CB 3.48Å; Q160-K164 WeakPolarHBondContact O-CD 3.2Å; Q160-K164 VanDerWaalsContact O-CG 3.23Å; Q160-K164 WeakPolarHBondContact O-CG 3.47Å; Q160-K164 PolarHBondContact O-N 2.89Å
161I97.1Very high97.5Very high92 Ų92101.2 Ų101.247%0.47251%0.505SS..Hα-helixtrans-69.4-46.3175.5-72.8167.7000109.6V157 V158 S159 D163 K164 E165V157-I161 HydrophobicContact CG1-CD1 3.83Å; V157-I161 HydrophobicContact CG1-CG1 4.46Å; V157-I161 VanDerWaalsContact O-CG1 3.29Å; V157-I161 WeakPolarHBondContact O-CG1 3.33Å; V157-I161 PolarHBondContact O-N 2.81Å; V158-I161 WeakPolarHBondContact O-CB 3.31Å; V158-I161 PolarHBondContact O-N 3.03Å; V158-I161 VanDerWaalsContact O-N 3.08Å; S159-I161 VanDerWaalsContact C-N 3.31Å; S159-I161 PolarHBondContact O-N 3.04Å; I161-D163 VanDerWaalsContact C-N 3.34Å; I161-D163 PolarHBondContact O-N 2.75Å; I161-K164 PolarHBondContact O-N 3.46Å; I161-E165 WeakPolarHBondContact O-CB 3.24Å; I161-E165 PolarHBondContact O-N 2.85Å
162D97.1Very high97.4Very high80 Ų80103.7 Ų103.743%0.42851%0.51SS..Hα-helixtrans-59.4-44.8178.5-69-11000111.1V158 S159 K164 E165 I166V158-D162 PolarHBondContact O-N 2.89Å; S159-D162 PolarHBondContact O-N 3.12Å; D162-K164 PolarHBondContact O-N 2.89Å; D162-E165 WeakPolarHBondContact O-CB 3.21Å; D162-E165 PolarHBondContact O-N 3.31Å; D162-I166 WeakPolarHBondContact O-CG1 3.45Å; D162-I166 PolarHBondContact O-N 3.04Å
163D97.1Very high97.4Very high101 Ų101100.1 Ų100.154%0.5450%0.502SS..Hα-helixtrans-61.1-43.3175.8-75.6-18.8000112.3S159 I161 E165 I166 I167S159-D163 PolarHBondContact O-N 3.07Å; I161-D163 VanDerWaalsContact C-N 3.34Å; I161-D163 PolarHBondContact O-N 2.75Å; D163-E165 VanDerWaalsContact C-N 3.35Å; D163-I166 PolarHBondContact O-N 2.77Å; D163-I167 VanDerWaalsContact O-CG1 3.3Å; D163-I167 WeakPolarHBondContact O-CG1 3.23Å; D163-I167 PolarHBondContact O-N 3.01Å; D163-I167 VanDerWaalsContact O-N 3.1Å
164K97.3Very high97.3Very high126 Ų12696.8 Ų96.855%0.54850%0.498SS..Hα-helixtrans-65.5-38.6177.1-77172.2-175169.80111.7Q160 I161 D162 I167 L168Q160-K164 WeakPolarHBondContact O-CB 3.48Å; Q160-K164 WeakPolarHBondContact O-CD 3.2Å; Q160-K164 VanDerWaalsContact O-CG 3.23Å; Q160-K164 WeakPolarHBondContact O-CG 3.47Å; Q160-K164 PolarHBondContact O-N 2.89Å; I161-K164 PolarHBondContact O-N 3.46Å; D162-K164 PolarHBondContact O-N 2.89Å; K164-I167 PolarHBondContact O-N 2.73Å; K164-L168 WeakPolarHBondContact O-CB 3.43Å; K164-L168 VanDerWaalsContact O-CG 3.32Å; K164-L168 WeakPolarHBondContact O-CG 3.32Å; K164-L168 PolarHBondContact O-N 2.79Å
165E97.4Very high97.2Very high107 Ų10793.1 Ų93.150%0.549%0.493SS..Hα-helixtrans-61.1-47.6176.4-175.7174.7179.900110.6I161 D162 D163 I167 L168 L169I161-E165 WeakPolarHBondContact O-CB 3.24Å; I161-E165 PolarHBondContact O-N 2.85Å; D162-E165 WeakPolarHBondContact O-CB 3.21Å; D162-E165 PolarHBondContact O-N 3.31Å; D163-E165 VanDerWaalsContact C-N 3.35Å; E165-I167 VanDerWaalsContact C-N 3.34Å; E165-I167 PolarHBondContact O-N 2.84Å; E165-L168 PolarHBondContact O-N 3.17Å; E165-L169 HydrophobicContact CG-CD1 3.89Å; E165-L169 HydrophobicContact CG-CG 4.31Å; E165-L169 WeakPolarHBondContact O-CB 3.06Å; E165-L169 VanDerWaalsContact O-CG 3.31Å; E165-L169 WeakPolarHBondContact O-CG 3.25Å; E165-L169 PolarHBondContact O-N 3.25Å
166I96.8Very high97.2Very high111 Ų11193.7 Ų93.757%0.56950%0.499SS*.Hα-helixtrans-58.1-46176.5-67166.4000111.2D162 D163 L168 L169 S170D162-I166 WeakPolarHBondContact O-CG1 3.45Å; D162-I166 PolarHBondContact O-N 3.04Å; D163-I166 PolarHBondContact O-N 2.77Å; I166-L168 PolarHBondContact O-N 3.15Å; I166-L169 PolarHBondContact O-N 3.35Å; I166-S170 WeakPolarHBondContact O-CB 3.38Å; I166-S170 PolarHBondContact O-N 3.13Å
167I97Very high97.1Very high93 Ų9392.7 Ų92.748%0.47750%0.497SS..Hα-helixtrans-62.5-44178.8-68165.6000111.1D163 K164 E165 S170 K171D163-I167 VanDerWaalsContact O-CG1 3.3Å; D163-I167 WeakPolarHBondContact O-CG1 3.23Å; D163-I167 PolarHBondContact O-N 3.01Å; D163-I167 VanDerWaalsContact O-N 3.1Å; K164-I167 PolarHBondContact O-N 2.73Å; E165-I167 VanDerWaalsContact C-N 3.34Å; E165-I167 PolarHBondContact O-N 2.84Å; I167-S170 PolarHBondContact O-N 2.79Å; I167-K171 HydrophobicContact CG2-CD 4.37Å; I167-K171 WeakPolarHBondContact O-CG 3.24Å; I167-K171 PolarHBondContact O-N 2.84Å
168L97.2Very high97Very high86 Ų8692.2 Ų92.245%0.4549%0.49SS..Hα-helixtrans-66.7-44.9179.4-75.1170.8000111.7K164 E165 I166 S170 K171 F172K164-L168 WeakPolarHBondContact O-CB 3.43Å; K164-L168 VanDerWaalsContact O-CG 3.32Å; K164-L168 WeakPolarHBondContact O-CG 3.32Å; K164-L168 PolarHBondContact O-N 2.79Å; E165-L168 PolarHBondContact O-N 3.17Å; I166-L168 PolarHBondContact O-N 3.15Å; L168-S170 VanDerWaalsContact C-N 3.32Å; L168-S170 PolarHBondContact O-N 3.17Å; L168-K171 PolarHBondContact O-N 3.36Å; L168-F172 HydrophobicContact CB-CE2 4.2Å; L168-F172 VanDerWaalsContact O-CD2 3.24Å; L168-F172 WeakPolarHBondContact O-CD2 3.46Å; L168-F172 WeakPolarHBondContact O-CG 3.43Å; L168-F172 PolarHBondContact O-N 3.14Å
169L97.5Very high96.8Very high101 Ų10196 Ų9653%0.52950%0.503SS..Hα-helixtrans-59.7-42.1175.9-73.5172.7000111.7E165 I166 F172 S173E165-L169 HydrophobicContact CG-CD1 3.89Å; E165-L169 HydrophobicContact CG-CG 4.31Å; E165-L169 WeakPolarHBondContact O-CB 3.06Å; E165-L169 VanDerWaalsContact O-CG 3.31Å; E165-L169 WeakPolarHBondContact O-CG 3.25Å; E165-L169 PolarHBondContact O-N 3.25Å; I166-L169 PolarHBondContact O-N 3.35Å; L169-F172 PolarHBondContact O-N 2.84Å; L169-S173 WeakPolarHBondContact O-CB 3.21Å; L169-S173 PolarHBondContact O-N 2.81Å
170S96.9Very high96.7Very high80 Ų8098.8 Ų98.856%0.55951%0.506SS*.Hα-helixtrans-61.1-45.5174.8-179.50000112I166 I167 L168 S173 A174I166-S170 WeakPolarHBondContact O-CB 3.38Å; I166-S170 PolarHBondContact O-N 3.13Å; I167-S170 PolarHBondContact O-N 2.79Å; L168-S170 VanDerWaalsContact C-N 3.32Å; L168-S170 PolarHBondContact O-N 3.17Å; S170-S173 PolarHBondContact O-N 2.77Å; S170-A174 PolarHBondContact O-N 2.84Å
171K97.1Very high96.4Very high133 Ų133101 Ų10158%0.57851%0.51SS*.Hα-helixtrans-62-44.4175.2-73.4177.1-178.9179.60112.2I167 L168 A174 V175I167-K171 HydrophobicContact CG2-CD 4.37Å; I167-K171 WeakPolarHBondContact O-CG 3.24Å; I167-K171 PolarHBondContact O-N 2.84Å; L168-K171 PolarHBondContact O-N 3.36Å; K171-A174 PolarHBondContact O-N 3.46Å; K171-V175 WeakPolarHBondContact O-CG2 3.43Å; K171-V175 PolarHBondContact O-N 2.82Å
172F97Very high96.2Very high127 Ų127101.1 Ų101.156%0.55751%0.508SS*.Hα-helixtrans-63.8-43.4177.5-67.3-38.7000111.9L168 L169 A174 V175 L176L168-F172 HydrophobicContact CB-CE2 4.2Å; L168-F172 VanDerWaalsContact O-CD2 3.24Å; L168-F172 WeakPolarHBondContact O-CD2 3.46Å; L168-F172 WeakPolarHBondContact O-CG 3.43Å; L168-F172 PolarHBondContact O-N 3.14Å; L169-F172 PolarHBondContact O-N 2.84Å; F172-A174 PolarHBondContact O-N 2.94Å; F172-V175 PolarHBondContact O-N 2.88Å; F172-L176 WeakPolarHBondContact O-CB 3.39Å; F172-L176 WeakPolarHBondContact O-CG 3.44Å; F172-L176 PolarHBondContact O-N 2.97Å
173S97Very high95.8Very high57 Ų57102.3 Ų102.340%0.39951%0.513SS..Hα-helixtrans-58.5-45.2174.7-179.10000111.8L169 S170 V175 L176 N177L169-S173 WeakPolarHBondContact O-CB 3.21Å; L169-S173 PolarHBondContact O-N 2.81Å; S170-S173 PolarHBondContact O-N 2.77Å; S173-V175 PolarHBondContact O-N 2.81Å; S173-L176 PolarHBondContact O-N 3.39Å; S173-N177 WeakPolarHBondContact O-CB 3.34Å; S173-N177 VanDerWaalsContact O-CG 3.22Å; S173-N177 PolarHBondContact O-N 3.21Å; S173-N177 PolarHBondContact O-ND2 2.85Å
174A96.5Very high95.4Very high59 Ų59102.6 Ų102.649%0.48851%0.511SS..Hα-helixtrans-60.1-44176.400000112.5S170 K171 F172 E178S170-A174 PolarHBondContact O-N 2.84Å; K171-A174 PolarHBondContact O-N 3.46Å; F172-A174 PolarHBondContact O-N 2.94Å; A174-E178 WeakPolarHBondContact O-CB 3.49Å; A174-E178 PolarHBondContact O-N 2.9Å
175V97Very high94.7Very high88 Ų88100.3 Ų100.353%0.53351%0.511SS..Hα-helixtrans-65.2-42.2176.4173.90000111.5K171 F172 S173 E178 K179K171-V175 WeakPolarHBondContact O-CG2 3.43Å; K171-V175 PolarHBondContact O-N 2.82Å; F172-V175 PolarHBondContact O-N 2.88Å; S173-V175 PolarHBondContact O-N 2.81Å; V175-E178 WeakPolarHBondContact O-CB 3.49Å; V175-E178 PolarHBondContact O-N 2.84Å; V175-K179 WeakPolarHBondContact O-CG 3.43Å; V175-K179 PolarHBondContact O-N 2.84Å
176L96.8Very high94Very high120 Ų120103.7 Ų103.763%0.62852%0.521SS*.Hα-helixtrans-64-44.7177.5-75171.1000111.6F172 S173 E178 K179 K180F172-L176 WeakPolarHBondContact O-CB 3.39Å; F172-L176 WeakPolarHBondContact O-CG 3.44Å; F172-L176 PolarHBondContact O-N 2.97Å; S173-L176 PolarHBondContact O-N 3.39Å; L176-E178 VanDerWaalsContact C-N 3.31Å; L176-E178 PolarHBondContact O-N 3.25Å; L176-K179 PolarHBondContact O-N 3.21Å; L176-K180 WeakPolarHBondContact O-CB 3.3Å; L176-K180 PolarHBondContact O-N 2.95Å
177N95.6Very high92.7Very high94 Ų94105.6 Ų105.650%0.50353%0.525SS..Hα-helixtrans-62.1-39.8176.2-71.8-26.1000111.5S173 K179 K180 R181S173-N177 WeakPolarHBondContact O-CB 3.34Å; S173-N177 VanDerWaalsContact O-CG 3.22Å; S173-N177 PolarHBondContact O-N 3.21Å; S173-N177 PolarHBondContact O-ND2 2.85Å; N177-K179 PolarHBondContact O-N 2.8Å; N177-K180 PolarHBondContact O-N 2.99Å; N177-R181 WeakPolarHBondContact O-CB 3.48Å; N177-R181 PolarHBondContact O-N 3.24Å
178E95.4Very high90.4Very high63 Ų63106.2 Ų106.229%0.29454%0.536SS..Hα-helixtrans-62-43.1174.6-177.457.2-155.700112.3A174 V175 L176 R181 K182A174-E178 WeakPolarHBondContact O-CB 3.49Å; A174-E178 PolarHBondContact O-N 2.9Å; V175-E178 WeakPolarHBondContact O-CB 3.49Å; V175-E178 PolarHBondContact O-N 2.84Å; L176-E178 VanDerWaalsContact C-N 3.31Å; L176-E178 PolarHBondContact O-N 3.25Å; E178-R181 IonicContact OE1-CZ 3.6Å; E178-R181 IonicContact OE1-NE 3.82Å; E178-R181 IonicContact OE1-NH2 2.73Å; E178-R181 PolarHBondContact OE1-NH2 3.38Å; E178-R181 IonicContact OE2-CZ 3.22Å; E178-R181 VanDerWaalsContact OE2-CZ 3.22Å; E178-R181 IonicContact OE2-NE 3.18Å; E178-R181 PolarHBondContact OE2-NE 3.47Å; E178-R181 IonicContact OE2-NH2 2.57Å; E178-R181 PolarHBondContact OE2-NH2 3.47Å; E178-K182 WeakPolarHBondContact O-CG 3.32Å; E178-K182 PolarHBondContact O-N 2.81Å; E178-K182 WeakPolarHBondContact OE1-CE 3.42Å; E178-K182 IonicContact OE1-NZ 3.86Å
179K94.9Very high88.1Confident129 Ų129106.5 Ų106.556%0.56154%0.544SS*.Hα-helixtrans-67.4-40.5176.8-70.6-72-177.1171.30111.8V175 L176 N177 K182 L183V175-K179 WeakPolarHBondContact O-CG 3.43Å; V175-K179 PolarHBondContact O-N 2.84Å; L176-K179 PolarHBondContact O-N 3.21Å; N177-K179 PolarHBondContact O-N 2.8Å; K179-K182 PolarHBondContact O-N 2.81Å; K179-L183 WeakPolarHBondContact O-CG 3.38Å; K179-L183 PolarHBondContact O-N 2.91Å
180K95Very high85.5Confident122 Ų122107.8 Ų107.853%0.5356%0.556SS.*Hα-helixtrans-60.4-48.7175.3-175177.8175.9-178.70111L176 N177 K182 L183 E184L176-K180 WeakPolarHBondContact O-CB 3.3Å; L176-K180 PolarHBondContact O-N 2.95Å; N177-K180 PolarHBondContact O-N 2.99Å; K180-K182 VanDerWaalsContact C-N 3.33Å; K180-K182 PolarHBondContact O-N 2.96Å; K180-L183 WeakPolarHBondContact O-CB 3.5Å; K180-L183 PolarHBondContact O-N 3.03Å; K180-L183 VanDerWaalsContact O-N 3.13Å; K180-E184 WeakPolarHBondContact CE-OE1 3.43Å; K180-E184 WeakPolarHBondContact O-CG 3.29Å; K180-E184 PolarHBondContact O-N 2.83Å
181R91.8Very high83.1Confident151 Ų151113.9 Ų113.957%0.5757%0.568SS**Hα-helixtrans-57.5-43.3175.8-176.2176.465.9128.9-1.9112.4N177 E178 E184 S185N177-R181 WeakPolarHBondContact O-CB 3.48Å; N177-R181 PolarHBondContact O-N 3.24Å; E178-R181 IonicContact OE1-CZ 3.6Å; E178-R181 IonicContact OE1-NE 3.82Å; E178-R181 IonicContact OE1-NH2 2.73Å; E178-R181 PolarHBondContact OE1-NH2 3.38Å; E178-R181 IonicContact OE2-CZ 3.22Å; E178-R181 VanDerWaalsContact OE2-CZ 3.22Å; E178-R181 IonicContact OE2-NE 3.18Å; E178-R181 PolarHBondContact OE2-NE 3.47Å; E178-R181 IonicContact OE2-NH2 2.57Å; E178-R181 PolarHBondContact OE2-NH2 3.47Å; R181-E184 PolarHBondContact O-N 2.93Å; R181-S185 PolarHBondContact O-N 2.81Å
182K92.3Very high80.3Confident96 Ų96111.2 Ų111.242%0.41757%0.571SS.*Hα-helixtrans-62.1-46.8174.2-74.8178.6179.7177.30111.7E178 K179 K180 E184 S185 Y186E178-K182 WeakPolarHBondContact O-CG 3.32Å; E178-K182 PolarHBondContact O-N 2.81Å; E178-K182 WeakPolarHBondContact OE1-CE 3.42Å; E178-K182 IonicContact OE1-NZ 3.86Å; K179-K182 PolarHBondContact O-N 2.81Å; K180-K182 VanDerWaalsContact C-N 3.33Å; K180-K182 PolarHBondContact O-N 2.96Å; K182-E184 PolarHBondContact O-N 3.13Å; K182-S185 PolarHBondContact O-N 2.95Å; K182-S185 PolarHBondContact O-OG 2.8Å; K182-Y186 HydrophobicContact CB-CE2 4.33Å; K182-Y186 WeakPolarHBondContact O-CD2 3.32Å; K182-Y186 PolarHBondContact O-N 3Å; K182-Y186 VanDerWaalsContact O-N 3.13Å
183L89.2Confident77.5Confident105 Ų105113 Ų11355%0.5559%0.585SS.*Hα-helixtrans-61-42.1177.2-76.5167.5000112.6K179 K180 S185 Y186 K187K179-L183 WeakPolarHBondContact O-CG 3.38Å; K179-L183 PolarHBondContact O-N 2.91Å; K180-L183 WeakPolarHBondContact O-CB 3.5Å; K180-L183 PolarHBondContact O-N 3.03Å; K180-L183 VanDerWaalsContact O-N 3.13Å; L183-S185 VanDerWaalsContact C-N 3.32Å; L183-S185 PolarHBondContact O-N 2.81Å; L183-Y186 PolarHBondContact O-N 2.98Å; L183-Y186 VanDerWaalsContact O-N 3.15Å; L183-K187 WeakPolarHBondContact O-CG 3.3Å; L183-K187 PolarHBondContact O-N 2.83Å
184E87.5Confident74.6Confident106 Ų106114.8 Ų114.850%0.49560%0.598SS.*Hα-helixtrans-62.1-40.2175.3-73.1168.9177.300111.5K180 R181 K182 Y186 K187 C188K180-E184 WeakPolarHBondContact CE-OE1 3.43Å; K180-E184 WeakPolarHBondContact O-CG 3.29Å; K180-E184 PolarHBondContact O-N 2.83Å; R181-E184 PolarHBondContact O-N 2.93Å; K182-E184 PolarHBondContact O-N 3.13Å; E184-Y186 PolarHBondContact O-N 2.62Å; E184-K187 PolarHBondContact O-N 3.48Å; E184-C188 PolarHBondContact O-N 3.04Å
185S82.9Confident72.1Confident79 Ų79120.6 Ų120.655%0.55262%0.615SS**Hα-helixtrans-64.4-27174.573.80000113.7R181 K182 L183R181-S185 PolarHBondContact O-N 2.81Å; K182-S185 PolarHBondContact O-N 2.95Å; K182-S185 PolarHBondContact O-OG 2.8Å; L183-S185 VanDerWaalsContact C-N 3.32Å; L183-S185 PolarHBondContact O-N 2.81Å
186Y82.2Confident69.2Low177 Ų177124.2 Ų124.269%0.69463%0.631SS**Hα-helixtrans-83.6-25.6174.1-67.7-62.4000113.4K182 L183 E184 C188K182-Y186 HydrophobicContact CB-CE2 4.33Å; K182-Y186 WeakPolarHBondContact O-CD2 3.32Å; K182-Y186 PolarHBondContact O-N 3Å; K182-Y186 VanDerWaalsContact O-N 3.13Å; L183-Y186 PolarHBondContact O-N 2.98Å; L183-Y186 VanDerWaalsContact O-N 3.15Å; E184-Y186 PolarHBondContact O-N 2.62Å; Y186-C188 VanDerWaalsContact C-N 3.34Å
187K70.1Confident66.4Low151 Ų151124.3 Ų124.366%0.65763%0.632SS**Hα-helixtrans-78.8-13.7-178.5-77.8-175.7177.2-173.50114L183 E184L183-K187 WeakPolarHBondContact O-CG 3.3Å; L183-K187 PolarHBondContact O-N 2.83Å; E184-K187 PolarHBondContact O-N 3.48Å
188C49.5Very low63.8Low106 Ų106127.3 Ų127.372%0.71664%0.641SS**THydrogen-bonded Turntrans-108.5111.9178.1-116.90000111.2E184 Y186E184-C188 PolarHBondContact O-N 3.04Å; Y186-C188 VanDerWaalsContact C-N 3.34Å
189P48.8Very low61.1Low93 Ų93130.6 Ų130.660%0.60467%0.666SS**THydrogen-bonded Turncis-133.1106.5-10.531.4-9.9000112.8A192P189-A192 HydrophobicContact CB-CB 4.46Å
190T42.7Very low58.5Low127 Ų127129.9 Ų129.978%0.77967%0.674SS**SBendtrans-845.2151.6-21.80000111.7
191Y45.5Very low55.6Low208 Ų208131.6 Ų131.682%0.81669%0.689SS**  trans-107.768.7167.1-68.8-85.1000109.3
192A39.1Very low53Low78 Ų78133.3 Ų133.365%0.64570%0.701SS**SBendtrans-131.311.4164.900000111.8P189P189-A192 HydrophobicContact CB-CB 4.46Å
193L37.5Very low50.4Low163 Ų163136.6 Ų136.685%0.85372%0.722SS**SBendtrans-146.579.5-174.6-71.9172.5000110.4
194S37.5Very low47.7Very low95 Ų95136.4 Ų136.466%0.66473%0.729SS**SBendtrans172.1122.4147.350.80000110.4
195E42.3Very low45.4Very low182 Ų182138.6 Ų138.685%0.8574%0.744SS**  trans76.792.8154.2-59.7174.2-165.700114.2
196D37Very low43Very low164 Ų164143.4 Ų143.488%0.87776%0.757SS**  34.8125.161.5-109.8-2.7000114.5
197D38.5Very low41.1Very low122 Ų122142.6 Ų142.665%0.65276%0.76SS**  trans90.7103.3170.9-101-2000120.2
198K40.5Very low39.4Very low157 Ų157141.5 Ų141.568%0.68376%0.761SS**  80.9115.2125.8-73.5168.5-172141.60121.7
199T38.9Very low39.2Very low132 Ų132143.2 Ų143.281%0.8177%0.768SS**  trans84.1136.1131.248.90000120.6
200P39.5Very low38.5Very low114 Ų114145 Ų14574%0.7477%0.773SS**  trans-90.4132.8-177.636-28.3000110.1
201D35.5Very low38.4Very low157 Ų157146 Ų14684%0.8477%0.773SS**  trans-163126.2149.7-107.4-30.6000112.5
202K35.6Very low38.3Very low188 Ų188144.4 Ų144.482%0.81778%0.778SS**  trans12.2122.9146.7-92166.9167.4174.70117
203L38.6Very low38.7Very low165 Ų165148.2 Ų148.286%0.86479%0.786SS**  -167.3103.3128.2-97.2149.4000109.9L205L203-L205 PolarHBondContact O-N 3.21Å
204S32.9Very low39Very low100 Ų100146.1 Ų146.170%0.69978%0.781SS**  trans-8.3114.2147.249.20000116.9
205L39.5Very low39.3Very low153 Ų153145.9 Ų145.980%0.80178%0.78SS**  trans-147.6101.5140.8-83.8-179.9000108.5L203 E207L203-L205 PolarHBondContact O-N 3.21Å; L205-E207 PolarHBondContact O-N 3.18Å
206Q32.3Very low39.5Very low180 Ų180147 Ų14784%0.84178%0.782SS**  trans-77.697.8163.9-176.7160.3-11.800105.9
207E41.6Very low39.8Very low159 Ų159145.7 Ų145.774%0.74378%0.775SS**  trans-99.5105.1168.2-77.7-173.1164.700108.3L205 V209L205-E207 PolarHBondContact O-N 3.18Å; E207-V209 PolarHBondContact O-N 3.27Å
208D34.5Very low39.8Very low129 Ų129151.2 Ų151.269%0.6979%0.787SS**  trans-47.8117161.1-68.2-45.4000109.5D210D208-D210 VanDerWaalsContact C-N 3.26Å
209V44.6Very low39.9Very low141 Ų141154.9 Ų154.986%0.85580%0.796SS**  trans-10159.2160.4-168.10000107.5E207E207-V209 PolarHBondContact O-N 3.27Å
210D34.9Very low39.8Very low132 Ų132158.6 Ų158.671%0.70680%0.801SS**  trans-70.2158.8143.9-95.1-32.4000108.1D208D208-D210 VanDerWaalsContact C-N 3.26Å
211D39.9Very low39.9Very low148 Ų148160 Ų16079%0.79180%0.802SS**  trans9253.8172.3-59.3-21.5000119.7
212L44.1Very low40.1Very low174 Ų174161.7 Ų161.791%0.91180%0.801SS**  trans-144.418.8152-80.6-174000116.1
213I46.3Very low40.4Very low158 Ų158159.9 Ų159.981%0.8180%0.8SS**SBendtrans-97.9118163.7-56.6177.4000107.4S215I213-S215 PolarHBondContact O-N 3.37Å
214P45.2Very low40.6Very low118 Ų118158 Ų15877%0.76680%0.795SS**  trans-62.3108.7171.3-10.524.3000107.7K216P214-K216 PolarHBondContact O-N 3.41Å
215S42.6Very low41.2Very low90 Ų90160.8 Ų160.863%0.62980%0.799SS**  trans-41.3110.1168.9168.30000109.9I213 D217I213-S215 PolarHBondContact O-N 3.37Å; S215-D217 PolarHBondContact O-N 2.89Å
216K48Very low41.2Very low207 Ų207156.9 Ų156.990%0.980%0.796SS**SBendtrans-70.160.2164.2-82.6-175.2171.2-179.60109.1P214P214-K216 PolarHBondContact O-N 3.41Å
217D41.9Very low41.7Very low136 Ų136160.1 Ų160.173%0.72780%0.801SS**  trans-166.766.1173.7-103.1-27.9000111S215S215-D217 PolarHBondContact O-N 2.89Å
218R40Very low42.1Very low238 Ų238164.3 Ų164.390%0.89881%0.81SS**  trans-175.465.6161.9-104.4158.8-164.7-146.99.1113.4
219R41.6Very low42.8Very low233 Ų233171.4 Ų171.488%0.87983%0.834SS**  trans-130.383145.7-75.5-168.8-172.2167.25.6109.6L221R219-L221 PolarHBondContact O-N 2.98Å
220K36.5Very low42.7Very low211 Ų211173 Ų17392%0.91783%0.833SS**  trans-58.381.6151.6-72.1179.5177.7176.90108.2
221L42.5Very low43.2Very low144 Ų144175.1 Ų175.175%0.75484%0.84SS**  trans-91.698.9152.6-84.7159.6000105.6R219 L223R219-L221 PolarHBondContact O-N 2.98Å; L221-L223 PolarHBondContact O-N 2.86Å
222K38.8Very low43.3Very low191 Ų191176.6 Ų176.683%0.8384%0.843SS**  trans-57.490161.9-87.2-179.6171.7178.70107.4V224K222-V224 HydrophobicContact CB-CG2 4.26Å; K222-V224 PolarHBondContact O-N 2.54Å
223L41.6Very low43.3Very low150 Ų150176.8 Ų176.879%0.78584%0.839SS**  trans-71.388.7155.1-103.9152.3000106.1L221 M225L221-L223 PolarHBondContact O-N 2.86Å; L223-M225 HydrophobicContact CD2-CG 4.08Å; L223-M225 PolarHBondContact O-N 3.06Å
224V42.6Very low43.1Very low126 Ų126177.9 Ų177.976%0.76484%0.841SS**  trans-72.277.4164-178.70000106.4K222 G226K222-V224 HydrophobicContact CB-CG2 4.26Å; K222-V224 PolarHBondContact O-N 2.54Å; V224-G226 PolarHBondContact O-N 3.44Å
225M45.4Very low43Very low158 Ų158181.9 Ų181.978%0.77885%0.845SS**  trans-74.898.3160.6-80.3-78.7-78.200106.4L223 R227L223-M225 HydrophobicContact CD2-CG 4.08Å; L223-M225 PolarHBondContact O-N 3.06Å; M225-R227 PolarHBondContact O-N 2.89Å
226G40.7Very low43Very low72 Ų72188.5 Ų188.574%0.74286%0.861SS**  trans-59.897.4174.300000110.7V224 R228V224-G226 PolarHBondContact O-N 3.44Å; G226-R228 PolarHBondContact O-N 2.88Å
227R43.2Very low42.6Very low248 Ų248187.1 Ų187.194%0.93686%0.858SS**  trans-76102.1158.2-81.7-175.4173.9-178.7-1.6107.8M225M225-R227 PolarHBondContact O-N 2.89Å
228R49.7Very low42.7Very low247 Ų247191.3 Ų191.393%0.93287%0.869SS**  trans-77.4117.7152-81.5-176.9174168.1-1.8107.3G226G226-R228 PolarHBondContact O-N 2.88Å
229K49.3Very low42.9Very low278 Ų278187.1 Ų187.1100%1.20987%0.866SS**  trans-68.50149.8-78-175.4175.3-178.40108.7

Retrieved 229 of 229 residues in 408.4 ms (Link to these results)

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