A0A096N5S0_PAPAN Loading...

Transmembrane protein 248

AlphaFold DB , UniProt , Accession A0A096N5S0, Species PAPAN (Papio anubis, Olive baboon), Gene TMEM248, Length 314 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
1M38.7Very low66.5Low242 Ų242115.5 Ų115.5100%1.19259%0.59SS**  0107.30-156.1165.5-173.500106.8S3M1-S3 PolarHBondContact O-N 3.11Å; M1-S3 VanDerWaalsContact O-N 3.11Å
2F50.8Low67.4Low202 Ų202109.9 Ų109.989%0.88657%0.565SS**  trans-70.4105.1-178.1-85-86.6000108.8I4F2-I4 PolarHBondContact O-N 3.44Å; F2-I4 VanDerWaalsContact O-N 3.08Å
3S56.3Low68Low109 Ų109102.7 Ų102.776%0.76253%0.527SS*.  trans-74.595.5169.5-159.10000107.5M1 N5M1-S3 PolarHBondContact O-N 3.11Å; M1-S3 VanDerWaalsContact O-N 3.11Å; S3-N5 PolarHBondContact O-N 3.08Å
4I63.1Low68.8Low108 Ų108101 Ų10155%0.55452%0.518SS*.  trans-77.7115.5172-52.8170.9000105.2F2 P6F2-I4 PolarHBondContact O-N 3.44Å; F2-I4 VanDerWaalsContact O-N 3.08Å; I4-P6 WeakPolarHBondContact O-CD 2.99Å
5N76.6Confident69.4Low77 Ų77100.3 Ų100.341%0.41253%0.526SS..  trans-91.988.5169.1-78-14.8000108S3 L7 E8 N9S3-N5 PolarHBondContact O-N 3.08Å; N5-L7 PolarHBondContact O-N 2.96Å; N5-E8 HydrophobicContact CB-CB 4.06Å; N5-E8 HydrophobicContact CB-CG 4.22Å; N5-E8 WeakPolarHBondContact CB-OE2 3.41Å; N5-E8 PolarHBondContact ND2-OE2 3.2Å; N5-E8 PolarHBondContact O-N 2.84Å; N5-N9 PolarHBondContact O-N 3.15Å; N5-N9 PolarHBondContact O-OD1 3.09Å
6P72.6Confident70Confident71 Ų7198.5 Ų98.546%0.46152%0.524SS..Hα-helixtrans-60.5-34.1-171.125.2-36.2000112.4I4 L10 V289I4-P6 WeakPolarHBondContact O-CD 2.99Å; P6-L10 WeakPolarHBondContact O-CB 3.34Å; P6-L10 PolarHBondContact O-N 3.49Å; P6-V289 HydrophobicContact CB-CG1 3.99Å
7L73.8Confident70.6Confident144 Ų144100.4 Ų100.475%0.75452%0.522SS*.Hα-helixtrans-67.1-42.2178.7-105158.9000112.8N5 K11N5-L7 PolarHBondContact O-N 2.96Å; L7-K11 VanDerWaalsContact O-CB 3.31Å; L7-K11 WeakPolarHBondContact O-CB 3.03Å; L7-K11 PolarHBondContact O-N 3.49Å
8E75.3Confident71Confident111 Ų11199.2 Ų99.252%0.51952%0.522SS..Hα-helixtrans-70.8-41.4177.8-70.2-176.2145.900111.2N5 L10 K11 V12N5-E8 HydrophobicContact CB-CB 4.06Å; N5-E8 HydrophobicContact CB-CG 4.22Å; N5-E8 WeakPolarHBondContact CB-OE2 3.41Å; N5-E8 PolarHBondContact ND2-OE2 3.2Å; N5-E8 PolarHBondContact O-N 2.84Å; E8-L10 VanDerWaalsContact C-N 3.33Å; E8-L10 PolarHBondContact O-N 2.94Å; E8-K11 PolarHBondContact O-N 2.98Å; E8-V12 WeakPolarHBondContact O-CG2 3.44Å; E8-V12 PolarHBondContact O-N 2.98Å
9N74Confident71.6Confident16 Ų1699.5 Ų99.59%0.08653%0.53CS..Hα-helixtrans-61.1-43.5176.3-70.51.3000111.7N5 Y13 V289 G292N5-N9 PolarHBondContact O-N 3.15Å; N5-N9 PolarHBondContact O-OD1 3.09Å; N9-Y13 VanDerWaalsContact O-CB 3.31Å; N9-Y13 WeakPolarHBondContact O-CB 3.4Å; N9-Y13 PolarHBondContact O-N 3.06Å; N9-V289 PolarHBondContact ND2-O 3.18Å; N9-V289 VanDerWaalsContact ND2-O 3.15Å; N9-G292 WeakPolarHBondContact CA-O 3.21Å; N9-G292 WeakPolarHBondContact CB-O 3.44Å; N9-G292 PolarHBondContact OD1-O 2.9Å
10L72.9Confident71.9Confident39 Ų3996.5 Ų96.520%0.20451%0.514CS..Hα-helixtrans-64.8-43.9175.9-175.267.2000111.2P6 E8 V12 Y13 I14 F285 A288P6-L10 WeakPolarHBondContact O-CB 3.34Å; P6-L10 PolarHBondContact O-N 3.49Å; E8-L10 VanDerWaalsContact C-N 3.33Å; E8-L10 PolarHBondContact O-N 2.94Å; L10-V12 PolarHBondContact O-N 2.88Å; L10-Y13 PolarHBondContact O-N 2.96Å; L10-I14 HydrophobicContact CD1-CD1 4.25Å; L10-I14 HydrophobicContact CD1-CG1 4.5Å; L10-I14 HydrophobicContact CD2-CD1 4.44Å; L10-I14 HydrophobicContact CG-CD1 3.82Å; L10-I14 HydrophobicContact CG-CG1 4.45Å; L10-I14 WeakPolarHBondContact O-CB 3.2Å; L10-I14 VanDerWaalsContact O-CG1 3.22Å; L10-I14 WeakPolarHBondContact O-CG1 3.31Å; L10-I14 PolarHBondContact O-N 3.32Å; L10-F285 HydrophobicContact CD1-CD2 4.14Å; L10-F285 HydrophobicContact CD1-CE2 3.73Å; L10-F285 HydrophobicContact CD1-CZ 4.5Å; L10-F285 HydrophobicContact CD2-CE2 3.8Å; L10-F285 HydrophobicContact CD2-CZ 4.18Å; L10-F285 HydrophobicContact CG-CE2 4.44Å; L10-A288 HydrophobicContact CD1-CB 4.2Å
11K77.9Confident72.4Confident151 Ų15193.4 Ų93.466%0.65750%0.499SS*.Hα-helixtrans-60.2-46.4177.9-174178.2179.4-179.20111.8L7 E8 Y13 I14 S15L7-K11 VanDerWaalsContact O-CB 3.31Å; L7-K11 WeakPolarHBondContact O-CB 3.03Å; L7-K11 PolarHBondContact O-N 3.49Å; E8-K11 PolarHBondContact O-N 2.98Å; K11-Y13 VanDerWaalsContact C-N 3.34Å; K11-I14 PolarHBondContact O-N 2.85Å; K11-S15 PolarHBondContact O-N 3.32Å; K11-S15 PolarHBondContact O-OG 3.48Å
12V76.4Confident74.7Confident49 Ų4986.6 Ų86.630%0.29747%0.47SS..Hα-helixtrans-64.4-40.1176.7172.50000111.2E8 L10 S15 S16E8-V12 WeakPolarHBondContact O-CG2 3.44Å; E8-V12 PolarHBondContact O-N 2.98Å; L10-V12 PolarHBondContact O-N 2.88Å; V12-S15 PolarHBondContact O-N 2.94Å; V12-S16 WeakPolarHBondContact O-CB 3.31Å; V12-S16 PolarHBondContact O-N 3.46Å; V12-S16 PolarHBondContact O-OG 2.97Å
13Y76.1Confident76.4Confident16 Ų1681.5 Ų81.56%0.06345%0.448CS..Hα-helixtrans-63.2-43.9176.3-172.5-92.9000112.1N9 L10 K11 S16 R17 L20 Y287 A288N9-Y13 VanDerWaalsContact O-CB 3.31Å; N9-Y13 WeakPolarHBondContact O-CB 3.4Å; N9-Y13 PolarHBondContact O-N 3.06Å; L10-Y13 PolarHBondContact O-N 2.96Å; K11-Y13 VanDerWaalsContact C-N 3.34Å; Y13-S16 PolarHBondContact O-N 2.88Å; Y13-S16 PolarHBondContact O-OG 2.85Å; Y13-R17 PolarHBondContact O-N 2.77Å; Y13-R17 VanDerWaalsContact O-N 3.16Å; Y13-L20 HydrophobicContact CE1-CD2 3.76Å; Y13-L20 WeakPolarHBondContact OH-CD1 3.18Å; Y13-L20 WeakPolarHBondContact OH-CD2 3.35Å; Y13-Y287 HydrophobicContact CE2-CD1 4.1Å; Y13-Y287 HydrophobicContact CE2-CE1 4.12Å; Y13-A288 HydrophobicContact CD1-CB 3.34Å; Y13-A288 HydrophobicContact CD2-CB 3.98Å; Y13-A288 HydrophobicContact CE1-CB 3.48Å; Y13-A288 VanDerWaalsContact CE1-CB 3.48Å; Y13-A288 HydrophobicContact CE2-CB 4.1Å; Y13-A288 HydrophobicContact CG-CB 3.59Å
14I79.3Confident77.7Confident79 Ų7977.7 Ų77.741%0.40542%0.418SS..Hα-helixtrans-61.7-46.1177.5-70.7166.7000111L10 K11 V21L10-I14 HydrophobicContact CD1-CD1 4.25Å; L10-I14 HydrophobicContact CD1-CG1 4.5Å; L10-I14 HydrophobicContact CD2-CD1 4.44Å; L10-I14 HydrophobicContact CG-CD1 3.82Å; L10-I14 HydrophobicContact CG-CG1 4.45Å; L10-I14 WeakPolarHBondContact O-CB 3.2Å; L10-I14 VanDerWaalsContact O-CG1 3.22Å; L10-I14 WeakPolarHBondContact O-CG1 3.31Å; L10-I14 PolarHBondContact O-N 3.32Å; K11-I14 PolarHBondContact O-N 2.85Å; I14-V21 HydrophobicContact CB-CG2 4.2Å; I14-V21 HydrophobicContact CG1-CG2 4.18Å; I14-V21 HydrophobicContact CG2-CG1 4.46Å; I14-V21 HydrophobicContact CG2-CG2 4.14Å
15S77.2Confident78.8Confident91 Ų9177.9 Ų77.964%0.63642%0.419SS*.Hα-helixtrans-72.2-28.3-179.7-60.30000113.6K11 V12K11-S15 PolarHBondContact O-N 3.32Å; K11-S15 PolarHBondContact O-OG 3.48Å; V12-S15 PolarHBondContact O-N 2.94Å
16S79.1Confident79.3Confident71 Ų7177.1 Ų77.150%0.49742%0.42SS..Hα-helixtrans-86.3-22.7-17661.90000114.2V12 Y13V12-S16 WeakPolarHBondContact O-CB 3.31Å; V12-S16 PolarHBondContact O-N 3.46Å; V12-S16 PolarHBondContact O-OG 2.97Å; Y13-S16 PolarHBondContact O-N 2.88Å; Y13-S16 PolarHBondContact O-OG 2.85Å
17R80.1Confident79.9Confident131 Ų13174.6 Ų74.649%0.49440%0.403SS..  trans-133.667.5-177.2-57.2-157.6-177.6-151.7-1.8113.6Y13 P19 L20 V21Y13-R17 PolarHBondContact O-N 2.77Å; Y13-R17 VanDerWaalsContact O-N 3.16Å; R17-P19 VanDerWaalsContact C-CD 3.47Å; R17-L20 HydrophobicContact CB-CB 4.19Å; R17-L20 PolarHBondContact O-N 2.93Å; R17-L20 VanDerWaalsContact O-N 3.13Å; R17-V21 PolarHBondContact O-N 3.25Å
18P77.8Confident80.4Confident79 Ų7969.6 Ų69.651%0.51338%0.381SS..Hα-helixtrans-52.4-43.2-179.1-19.828000114.8L20 V21 V22P18-L20 VanDerWaalsContact C-N 3.29Å; P18-L20 PolarHBondContact O-N 2.96Å; P18-V21 PolarHBondContact O-N 3.27Å; P18-V22 WeakPolarHBondContact O-CG2 3.29Å; P18-V22 PolarHBondContact O-N 2.89Å; P18-V22 VanDerWaalsContact O-N 3.16Å
19P81.6Confident81Confident104 Ų10467 Ų6768%0.67538%0.378SS*.Hα-helixtrans-62.5-34.4-179.4-24.434.8000113.8R17 F23R17-P19 VanDerWaalsContact C-CD 3.47Å; P19-F23 PolarHBondContact O-N 2.84Å; P19-F23 VanDerWaalsContact O-N 3.15Å
20L79Confident81.6Confident40 Ų4070.9 Ų70.921%0.20940%0.397CS..Hα-helixtrans-75.5-35.1-178.9-164.1154000110.8Y13 R17 P18 F23 M24 M284Y13-L20 HydrophobicContact CE1-CD2 3.76Å; Y13-L20 WeakPolarHBondContact OH-CD1 3.18Å; Y13-L20 WeakPolarHBondContact OH-CD2 3.35Å; R17-L20 HydrophobicContact CB-CB 4.19Å; R17-L20 PolarHBondContact O-N 2.93Å; R17-L20 VanDerWaalsContact O-N 3.13Å; P18-L20 VanDerWaalsContact C-N 3.29Å; P18-L20 PolarHBondContact O-N 2.96Å; L20-F23 WeakPolarHBondContact O-CB 3.13Å; L20-F23 PolarHBondContact O-N 3.24Å; L20-M24 HydrophobicContact CD2-CG 3.89Å; L20-M24 VanDerWaalsContact O-CG 3.23Å; L20-M24 WeakPolarHBondContact O-CG 3.37Å; L20-M24 PolarHBondContact O-N 2.85Å; L20-M284 HydrophobicContact CD1-SD 4.4Å; L20-M284 HydrophobicContact CD2-SD 4.05Å; L20-M284 HydrophobicContact CG-SD 4.47Å
21V82.6Confident82.2Confident32 Ų3269.1 Ų69.119%0.19439%0.387CS..Hα-helixtrans-62.3-44.1173.51790000111.1I14 R17 P18 F23 M24 I25I14-V21 HydrophobicContact CB-CG2 4.2Å; I14-V21 HydrophobicContact CG1-CG2 4.18Å; I14-V21 HydrophobicContact CG2-CG1 4.46Å; I14-V21 HydrophobicContact CG2-CG2 4.14Å; R17-V21 PolarHBondContact O-N 3.25Å; P18-V21 PolarHBondContact O-N 3.27Å; V21-F23 VanDerWaalsContact C-N 3.33Å; V21-F23 PolarHBondContact O-N 3.49Å; V21-M24 WeakPolarHBondContact O-CB 3.43Å; V21-M24 PolarHBondContact O-N 3.11Å; V21-I25 HydrophobicContact CG1-CD1 3.96Å; V21-I25 WeakPolarHBondContact O-CG1 3.44Å; V21-I25 PolarHBondContact O-N 2.9Å
22V86.1Confident82.6Confident98 Ų9866.6 Ų66.659%0.59438%0.38SS*.Hα-helixtrans-62-42.9177176.30000111P18 M24 I25 S26P18-V22 WeakPolarHBondContact O-CG2 3.29Å; P18-V22 PolarHBondContact O-N 2.89Å; P18-V22 VanDerWaalsContact O-N 3.16Å; V22-M24 VanDerWaalsContact C-N 3.33Å; V22-M24 PolarHBondContact O-N 2.89Å; V22-I25 PolarHBondContact O-N 2.86Å; V22-S26 PolarHBondContact O-N 3.48Å; V22-S26 PolarHBondContact O-OG 3.48Å
23F85.8Confident83.1Confident96 Ų9666 Ų6642%0.42138%0.381SS..Hα-helixtrans-60.2-41.1174.3177.5-99.9000112.6P19 L20 V21 S26 V27P19-F23 PolarHBondContact O-N 2.84Å; P19-F23 VanDerWaalsContact O-N 3.15Å; L20-F23 WeakPolarHBondContact O-CB 3.13Å; L20-F23 PolarHBondContact O-N 3.24Å; V21-F23 VanDerWaalsContact C-N 3.33Å; V21-F23 PolarHBondContact O-N 3.49Å; F23-S26 WeakPolarHBondContact CA-OG 3.48Å; F23-S26 PolarHBondContact O-N 3.25Å; F23-S26 PolarHBondContact O-OG 3.38Å; F23-V27 HydrophobicContact CD1-CG2 4.29Å; F23-V27 HydrophobicContact CD2-CG2 4.2Å; F23-V27 HydrophobicContact CE1-CG2 3.91Å; F23-V27 HydrophobicContact CE2-CG2 3.8Å; F23-V27 HydrophobicContact CG-CG2 4.43Å; F23-V27 HydrophobicContact CZ-CG2 3.65Å; F23-V27 WeakPolarHBondContact O-CB 3.49Å; F23-V27 VanDerWaalsContact O-CG2 3.25Å; F23-V27 WeakPolarHBondContact O-CG2 3.24Å; F23-V27 PolarHBondContact O-N 3.36Å
24M84.1Confident83.3Confident28 Ų2868.2 Ų68.214%0.13839%0.391CS..Hα-helixtrans-65.1-41.9177.9-73.9-66.7-73.500112.6L20 V21 V22 S28 V281 M284L20-M24 HydrophobicContact CD2-CG 3.89Å; L20-M24 VanDerWaalsContact O-CG 3.23Å; L20-M24 WeakPolarHBondContact O-CG 3.37Å; L20-M24 PolarHBondContact O-N 2.85Å; V21-M24 WeakPolarHBondContact O-CB 3.43Å; V21-M24 PolarHBondContact O-N 3.11Å; V22-M24 VanDerWaalsContact C-N 3.33Å; V22-M24 PolarHBondContact O-N 2.89Å; M24-S28 WeakPolarHBondContact O-CB 3.22Å; M24-S28 PolarHBondContact O-N 3.16Å; M24-S28 PolarHBondContact O-OG 3.02Å; M24-V281 HydrophobicContact CE-CB 4.27Å; M24-V281 HydrophobicContact CE-CG1 3.85Å; M24-V281 WeakPolarHBondContact CE-O 3.31Å; M24-M284 HydrophobicContact CE-CB 3.35Å; M24-M284 HydrophobicContact CE-CG 4.39Å; M24-M284 HydrophobicContact SD-CB 3.24Å; M24-M284 WeakPolarHBondContact SD-CB 3.38Å; M24-M284 HydrophobicContact SD-CG 3.65Å; M24-M284 HydrophobicContact SD-SD 4.34Å
25I86.8Confident83.4Confident112 Ų11268.2 Ų68.257%0.57439%0.391SS*.Hα-helixtrans-65.6-44.1176.9-67.3168.1000110.4V21 V22 S28 A29V21-I25 HydrophobicContact CG1-CD1 3.96Å; V21-I25 WeakPolarHBondContact O-CG1 3.44Å; V21-I25 PolarHBondContact O-N 2.9Å; V22-I25 PolarHBondContact O-N 2.86Å; I25-S28 PolarHBondContact O-N 3.38Å; I25-A29 WeakPolarHBondContact O-CB 3.36Å; I25-A29 PolarHBondContact O-N 2.95Å
26S86.8Confident83.6Confident62 Ų6267.8 Ų67.843%0.43439%0.385SS..Hα-helixtrans-67-43-179.164.10000112.5V22 F23 S28 A29 M30V22-S26 PolarHBondContact O-N 3.48Å; V22-S26 PolarHBondContact O-OG 3.48Å; F23-S26 WeakPolarHBondContact CA-OG 3.48Å; F23-S26 PolarHBondContact O-N 3.25Å; F23-S26 PolarHBondContact O-OG 3.38Å; S26-S28 VanDerWaalsContact C-N 3.32Å; S26-S28 PolarHBondContact O-N 3.36Å; S26-A29 PolarHBondContact O-N 3.47Å; S26-M30 PolarHBondContact O-N 2.88Å
27V86Confident83.6Confident18 Ų1868 Ų6811%0.10938%0.38CS..Hα-helixtrans-62.9-40.7175.1171.10000111.1F23 M30 A31 L277 V281F23-V27 HydrophobicContact CD1-CG2 4.29Å; F23-V27 HydrophobicContact CD2-CG2 4.2Å; F23-V27 HydrophobicContact CE1-CG2 3.91Å; F23-V27 HydrophobicContact CE2-CG2 3.8Å; F23-V27 HydrophobicContact CG-CG2 4.43Å; F23-V27 HydrophobicContact CZ-CG2 3.65Å; F23-V27 WeakPolarHBondContact O-CB 3.49Å; F23-V27 VanDerWaalsContact O-CG2 3.25Å; F23-V27 WeakPolarHBondContact O-CG2 3.24Å; F23-V27 PolarHBondContact O-N 3.36Å; V27-M30 PolarHBondContact O-N 3.16Å; V27-A31 WeakPolarHBondContact O-CB 3.46Å; V27-A31 PolarHBondContact O-N 2.8Å; V27-L277 HydrophobicContact CG1-CB 4.2Å; V27-L277 HydrophobicContact CG1-CD2 4.03Å; V27-V281 HydrophobicContact CB-CG2 4.31Å; V27-V281 HydrophobicContact CG1-CG2 3.65Å
28S84.3Confident83.5Confident39 Ų3962.2 Ų62.227%0.27336%0.361SS..Hα-helixtrans-64.5-43.3176.7-57.90000111.8M24 I25 S26 M30 A31 I32M24-S28 WeakPolarHBondContact O-CB 3.22Å; M24-S28 PolarHBondContact O-N 3.16Å; M24-S28 PolarHBondContact O-OG 3.02Å; I25-S28 PolarHBondContact O-N 3.38Å; S26-S28 VanDerWaalsContact C-N 3.32Å; S26-S28 PolarHBondContact O-N 3.36Å; S28-M30 PolarHBondContact O-N 3.22Å; S28-A31 PolarHBondContact O-N 3.35Å; S28-I32 WeakPolarHBondContact O-CG1 3.42Å; S28-I32 PolarHBondContact O-N 3.23Å
29A88.1Confident83.4Confident56 Ų5666.1 Ų66.146%0.46337%0.366SS..Hα-helixtrans-62.8-41.6176.400000112I25 S26 I32 A33I25-A29 WeakPolarHBondContact O-CB 3.36Å; I25-A29 PolarHBondContact O-N 2.95Å; S26-A29 PolarHBondContact O-N 3.47Å; A29-I32 PolarHBondContact O-N 3.47Å; A29-A33 WeakPolarHBondContact O-CB 3.23Å; A29-A33 PolarHBondContact O-N 2.79Å
30M86.4Confident83Confident98 Ų9865.4 Ų65.448%0.48335%0.353SS..Hα-helixtrans-63.4-42.3175.5-171.767.385.800111.9S26 V27 S28 I32 A33 F34 L277S26-M30 PolarHBondContact O-N 2.88Å; V27-M30 PolarHBondContact O-N 3.16Å; S28-M30 PolarHBondContact O-N 3.22Å; M30-I32 VanDerWaalsContact C-N 3.34Å; M30-I32 PolarHBondContact O-N 3.05Å; M30-A33 PolarHBondContact O-N 3.46Å; M30-F34 HydrophobicContact CG-CD2 4.14Å; M30-F34 HydrophobicContact CG-CE1 4.38Å; M30-F34 HydrophobicContact CG-CE2 3.63Å; M30-F34 HydrophobicContact CG-CZ 3.77Å; M30-F34 WeakPolarHBondContact O-CG 3.32Å; M30-F34 PolarHBondContact O-N 3.47Å; M30-F34 HydrophobicContact SD-CD1 4.44Å; M30-F34 HydrophobicContact SD-CE1 3.74Å; M30-F34 HydrophobicContact SD-CE2 4.04Å; M30-F34 HydrophobicContact SD-CZ 3.51Å; M30-F34 VanDerWaalsContact SD-CZ 3.51Å; M30-L277 HydrophobicContact CG-CD1 4.24Å
31A84.2Confident82.5Confident1 Ų166.8 Ų66.81%0.00836%0.357CS..Hα-helixtrans-61.8-42.3176.900000112V27 S28 F34 L35 L277 F278V27-A31 WeakPolarHBondContact O-CB 3.46Å; V27-A31 PolarHBondContact O-N 2.8Å; S28-A31 PolarHBondContact O-N 3.35Å; A31-F34 PolarHBondContact O-N 3.48Å; A31-L35 WeakPolarHBondContact O-CG 3.26Å; A31-L35 PolarHBondContact O-N 3.01Å; A31-L277 HydrophobicContact CB-CB 3.92Å; A31-L277 HydrophobicContact CB-CD1 4.2Å; A31-F278 HydrophobicContact CB-CD2 4.3Å; A31-F278 HydrophobicContact CB-CE2 3.96Å; A31-F278 HydrophobicContact CB-CZ 4.36Å
32I86.7Confident81.7Confident99 Ų9972.1 Ų72.151%0.50838%0.378SS..Hα-helixtrans-64-43.9175.5-65.8165.4000110.5S28 A29 M30 F34 L35 T36S28-I32 WeakPolarHBondContact O-CG1 3.42Å; S28-I32 PolarHBondContact O-N 3.23Å; A29-I32 PolarHBondContact O-N 3.47Å; M30-I32 VanDerWaalsContact C-N 3.34Å; M30-I32 PolarHBondContact O-N 3.05Å; I32-F34 VanDerWaalsContact C-N 3.34Å; I32-F34 PolarHBondContact O-N 3.41Å; I32-L35 PolarHBondContact O-N 3.34Å; I32-T36 HydrophobicContact CG2-CG2 4.3Å; I32-T36 WeakPolarHBondContact O-CG2 3.2Å; I32-T36 PolarHBondContact O-N 3.04Å; I32-T36 PolarHBondContact O-OG1 2.96Å
33A86.2Confident80.6Confident37 Ų3772.1 Ų72.131%0.30637%0.373SS..Hα-helixtrans-60.6-41.3177.300000112.4A29 M30 T36 L37A29-A33 WeakPolarHBondContact O-CB 3.23Å; A29-A33 PolarHBondContact O-N 2.79Å; M30-A33 PolarHBondContact O-N 3.46Å; A33-T36 WeakPolarHBondContact CA-OG1 3.32Å; A33-T36 PolarHBondContact O-N 3.13Å; A33-T36 PolarHBondContact O-OG1 2.96Å; A33-L37 WeakPolarHBondContact O-CB 3.31Å; A33-L37 WeakPolarHBondContact O-CD1 3.39Å; A33-L37 WeakPolarHBondContact O-CG 3.46Å; A33-L37 PolarHBondContact O-N 3.27Å
34F81.8Confident79.2Confident61 Ų6173.4 Ų73.427%0.26838%0.379SS..Hα-helixtrans-68.8-36175.9-68.4-20.5000113M30 A31 I32 L37 G38 L270 L277M30-F34 HydrophobicContact CG-CD2 4.14Å; M30-F34 HydrophobicContact CG-CE1 4.38Å; M30-F34 HydrophobicContact CG-CE2 3.63Å; M30-F34 HydrophobicContact CG-CZ 3.77Å; M30-F34 WeakPolarHBondContact O-CG 3.32Å; M30-F34 PolarHBondContact O-N 3.47Å; M30-F34 HydrophobicContact SD-CD1 4.44Å; M30-F34 HydrophobicContact SD-CE1 3.74Å; M30-F34 HydrophobicContact SD-CE2 4.04Å; M30-F34 HydrophobicContact SD-CZ 3.51Å; M30-F34 VanDerWaalsContact SD-CZ 3.51Å; A31-F34 PolarHBondContact O-N 3.48Å; I32-F34 VanDerWaalsContact C-N 3.34Å; I32-F34 PolarHBondContact O-N 3.41Å; F34-L37 HydrophobicContact CD1-CD1 4.37Å; F34-G38 PolarHBondContact O-N 3.31Å; F34-L270 HydrophobicContact CB-CD2 3.94Å; F34-L270 HydrophobicContact CD1-CD2 4.17Å; F34-L270 HydrophobicContact CG-CD2 4.19Å; F34-L277 HydrophobicContact CD2-CD1 3.92Å; F34-L277 HydrophobicContact CE2-CD1 4.06Å
35L80.8Confident77.7Confident80 Ų8079.3 Ų79.342%0.41941%0.406SS..Hα-helixtrans-66.2-42.9172.9-76.4-178.4000112.4A31 I32 G38 Y39 F278A31-L35 WeakPolarHBondContact O-CG 3.26Å; A31-L35 PolarHBondContact O-N 3.01Å; I32-L35 PolarHBondContact O-N 3.34Å; L35-G38 PolarHBondContact O-N 3.1Å; L35-Y39 WeakPolarHBondContact O-CB 3.23Å; L35-Y39 PolarHBondContact O-N 3.44Å; L35-F278 HydrophobicContact CD1-CE2 3.42Å; L35-F278 VanDerWaalsContact CD1-CE2 3.42Å; L35-F278 HydrophobicContact CD1-CZ 3.78Å; L35-F278 HydrophobicContact CG-CE2 4.15Å
36T82.1Confident76.1Confident81 Ų8176.6 Ų76.650%0.49739%0.392SS..Hα-helixtrans-67.4-39.1178.855.80000111.2I32 A33 Y39 F40I32-T36 HydrophobicContact CG2-CG2 4.3Å; I32-T36 WeakPolarHBondContact O-CG2 3.2Å; I32-T36 PolarHBondContact O-N 3.04Å; I32-T36 PolarHBondContact O-OG1 2.96Å; A33-T36 WeakPolarHBondContact CA-OG1 3.32Å; A33-T36 PolarHBondContact O-N 3.13Å; A33-T36 PolarHBondContact O-OG1 2.96Å; T36-Y39 PolarHBondContact O-N 3.01Å; T36-F40 VanDerWaalsContact O-CB 3.22Å; T36-F40 WeakPolarHBondContact O-CB 3.24Å; T36-F40 PolarHBondContact O-N 3.21Å
37L79.4Confident74Confident77 Ų7780.1 Ų80.140%0.40340%0.4SS..Hα-helixtrans-61.4-49.1170.5-80.1159.8000111.3A33 F34 Y39 F40 F41A33-L37 WeakPolarHBondContact O-CB 3.31Å; A33-L37 WeakPolarHBondContact O-CD1 3.39Å; A33-L37 WeakPolarHBondContact O-CG 3.46Å; A33-L37 PolarHBondContact O-N 3.27Å; F34-L37 HydrophobicContact CD1-CD1 4.37Å; L37-Y39 VanDerWaalsContact C-N 3.33Å; L37-Y39 PolarHBondContact O-N 3.47Å; L37-F40 WeakPolarHBondContact O-CB 3.37Å; L37-F40 PolarHBondContact O-N 3.48Å; L37-F40 VanDerWaalsContact O-N 3.13Å; L37-F41 HydrophobicContact CB-CE2 4.38Å; L37-F41 HydrophobicContact CD2-CE2 4.17Å; L37-F41 WeakPolarHBondContact O-CD2 3.48Å; L37-F41 PolarHBondContact O-N 3.08Å
38G76.2Confident71.8Confident8 Ų881.5 Ų81.58%0.08241%0.41CS..Hα-helixtrans-59.1-42.1177.300000113F34 L35 F41 K42F34-G38 PolarHBondContact O-N 3.31Å; L35-G38 PolarHBondContact O-N 3.1Å; G38-F41 PolarHBondContact O-N 3.41Å; G38-K42 WeakPolarHBondContact O-CB 3.26Å; G38-K42 PolarHBondContact O-N 3.25Å
39Y75.8Confident69.9Low162 Ų16286 Ų8664%0.63544%0.438SS*.Hα-helixtrans-65.3-39.7174.4-174.1-105.2000112.2L35 T36 L37 K42 I43L35-Y39 WeakPolarHBondContact O-CB 3.23Å; L35-Y39 PolarHBondContact O-N 3.44Å; T36-Y39 PolarHBondContact O-N 3.01Å; L37-Y39 VanDerWaalsContact C-N 3.33Å; L37-Y39 PolarHBondContact O-N 3.47Å; Y39-K42 WeakPolarHBondContact O-CB 3.24Å; Y39-K42 PolarHBondContact O-N 3.46Å; Y39-I43 HydrophobicContact CD1-CD1 3.71Å; Y39-I43 HydrophobicContact CD2-CD1 3.8Å; Y39-I43 HydrophobicContact CE1-CD1 3.17Å; Y39-I43 HydrophobicContact CE2-CD1 3.27Å; Y39-I43 HydrophobicContact CE2-CG1 4.46Å; Y39-I43 HydrophobicContact CG-CD1 4.01Å; Y39-I43 PolarHBondContact O-N 2.94Å; Y39-I43 WeakPolarHBondContact OH-CD1 3.15Å
40F73.8Confident67.8Low89 Ų8991.6 Ų91.639%0.3946%0.455SS..Hα-helixtrans-62.4-46.9174.9-179.2-97.1000111.7T36 L37 K42 I43 K44 I46T36-F40 VanDerWaalsContact O-CB 3.22Å; T36-F40 WeakPolarHBondContact O-CB 3.24Å; T36-F40 PolarHBondContact O-N 3.21Å; L37-F40 WeakPolarHBondContact O-CB 3.37Å; L37-F40 PolarHBondContact O-N 3.48Å; L37-F40 VanDerWaalsContact O-N 3.13Å; F40-K42 PolarHBondContact O-N 3.37Å; F40-I43 PolarHBondContact O-N 3.47Å; F40-K44 HydrophobicContact CD2-CD 4.22Å; F40-K44 HydrophobicContact CD2-CG 4.24Å; F40-K44 HydrophobicContact CE2-CD 3.48Å; F40-K44 VanDerWaalsContact CE2-CD 3.48Å; F40-K44 HydrophobicContact CE2-CG 3.98Å; F40-K44 HydrophobicContact CZ-CB 4.49Å; F40-K44 HydrophobicContact CZ-CD 3.71Å; F40-K44 HydrophobicContact CZ-CG 4.34Å; F40-K44 PolarHBondContact O-N 3.36Å; F40-I46 HydrophobicContact CD1-CD1 3.61Å; F40-I46 HydrophobicContact CD1-CG1 4.48Å; F40-I46 HydrophobicContact CE1-CD1 3.45Å; F40-I46 VanDerWaalsContact CE1-CD1 3.45Å; F40-I46 HydrophobicContact CE1-CG1 3.92Å
41F68.6Low65.8Low69 Ų6993.7 Ų93.730%0.30347%0.465SS..Hα-helixtrans-63-28.4173.1-74.6-70.5000112.7L37 G38 I46 R263 I266 L270L37-F41 HydrophobicContact CB-CE2 4.38Å; L37-F41 HydrophobicContact CD2-CE2 4.17Å; L37-F41 WeakPolarHBondContact O-CD2 3.48Å; L37-F41 PolarHBondContact O-N 3.08Å; G38-F41 PolarHBondContact O-N 3.41Å; F41-I46 HydrophobicContact CB-CD1 4.49Å; F41-I46 HydrophobicContact CD1-CD1 3.16Å; F41-I46 HydrophobicContact CE1-CD1 3.38Å; F41-I46 HydrophobicContact CG-CD1 3.96Å; F41-I46 HydrophobicContact CZ-CD1 4.35Å; F41-R263 PolarHBondContact O-NE 3.18Å; F41-R263 PolarHBondContact O-NH2 2.85Å; F41-I266 HydrophobicContact CD2-CG2 4.42Å; F41-L270 HydrophobicContact CD2-CD1 3.95Å; F41-L270 HydrophobicContact CE2-CD1 4.37Å
42K65.3Low64.5Low143 Ų14396 Ų9662%0.62248%0.484SS*.Hα-helixtrans-77.2-26.7177.1-167.6179.3179.6-176.80113.7G38 Y39 F40 R263G38-K42 WeakPolarHBondContact O-CB 3.26Å; G38-K42 PolarHBondContact O-N 3.25Å; Y39-K42 WeakPolarHBondContact O-CB 3.24Å; Y39-K42 PolarHBondContact O-N 3.46Å; F40-K42 PolarHBondContact O-N 3.37Å; K42-R263 PolarHBondContact O-NH2 3.04Å
43I63.7Low63.6Low99 Ų9994 Ų9451%0.50847%0.473SS..Hα-helixtrans-107.9-34.9-174.3-73.3165.4000113.1Y39 F40Y39-I43 HydrophobicContact CD1-CD1 3.71Å; Y39-I43 HydrophobicContact CD2-CD1 3.8Å; Y39-I43 HydrophobicContact CE1-CD1 3.17Å; Y39-I43 HydrophobicContact CE2-CD1 3.27Å; Y39-I43 HydrophobicContact CE2-CG1 4.46Å; Y39-I43 HydrophobicContact CG-CD1 4.01Å; Y39-I43 PolarHBondContact O-N 2.94Å; Y39-I43 WeakPolarHBondContact OH-CD1 3.15Å; F40-I43 PolarHBondContact O-N 3.47Å
44K56.7Low63.3Low122 Ų12292.8 Ų92.853%0.5346%0.461SS..SBendtrans-91.6119.2172.2-66.5-149.1-177.9-173.30108.7F40 I46F40-K44 HydrophobicContact CD2-CD 4.22Å; F40-K44 HydrophobicContact CD2-CG 4.24Å; F40-K44 HydrophobicContact CE2-CD 3.48Å; F40-K44 VanDerWaalsContact CE2-CD 3.48Å; F40-K44 HydrophobicContact CE2-CG 3.98Å; F40-K44 HydrophobicContact CZ-CB 4.49Å; F40-K44 HydrophobicContact CZ-CD 3.71Å; F40-K44 HydrophobicContact CZ-CG 4.34Å; F40-K44 PolarHBondContact O-N 3.36Å; K44-I46 HydrophobicContact CB-CG1 3.99Å; K44-I46 PolarHBondContact O-N 3.03Å
45E52.9Low63.5Low153 Ų15389.9 Ų89.972%0.71545%0.448SS*.  trans-60.793.9154.5-76175.9174.200106.9K47E45-K47 PolarHBondContact O-N 2.95Å; E45-K47 VanDerWaalsContact O-N 3.12Å
46I51.5Low63.8Low55 Ų5586.2 Ų86.228%0.28243%0.429SS..  trans-79.1100.5177.3-68.1151.9000105.7F40 F41 K44 S48 V258F40-I46 HydrophobicContact CD1-CD1 3.61Å; F40-I46 HydrophobicContact CD1-CG1 4.48Å; F40-I46 HydrophobicContact CE1-CD1 3.45Å; F40-I46 VanDerWaalsContact CE1-CD1 3.45Å; F40-I46 HydrophobicContact CE1-CG1 3.92Å; F41-I46 HydrophobicContact CB-CD1 4.49Å; F41-I46 HydrophobicContact CD1-CD1 3.16Å; F41-I46 HydrophobicContact CE1-CD1 3.38Å; F41-I46 HydrophobicContact CG-CD1 3.96Å; F41-I46 HydrophobicContact CZ-CD1 4.35Å; K44-I46 HydrophobicContact CB-CG1 3.99Å; K44-I46 PolarHBondContact O-N 3.03Å; I46-S48 PolarHBondContact O-N 3.39Å; I46-V258 VanDerWaalsContact O-CG2 3.25Å; I46-V258 WeakPolarHBondContact O-CG2 3.38Å
47K42.6Very low64Low135 Ų13584.1 Ų84.159%0.58742%0.416SS*.  trans-55.2119.6167.3-165.9162.1-173.1162.80107.2E45 D54 T57E45-K47 PolarHBondContact O-N 2.95Å; E45-K47 VanDerWaalsContact O-N 3.12Å; K47-D54 WeakPolarHBondContact CE-OD2 3.18Å; K47-D54 IonicContact NZ-OD2 3.22Å; K47-D54 PolarHBondContact NZ-OD2 3.35Å; K47-T57 PolarHBondContact NZ-OG1 3.47Å
48S41.3Very low64.5Low48 Ų4880.5 Ų80.534%0.33640%0.397SS..  trans-55.7129.3-175.9-170.50000109.8I46 E50I46-S48 PolarHBondContact O-N 3.39Å; S48-E50 PolarHBondContact O-N 2.92Å; S48-E50 VanDerWaalsContact O-N 3.11Å
49P42.8Very low65.3Low132 Ų13280.1 Ų80.186%0.85739%0.393SS*.THydrogen-bonded Turntrans-71.11.2179.728.3-33.4000113.7
50E44.9Very low66Low175 Ų17575.2 Ų75.282%0.81838%0.378SS*.THydrogen-bonded Turntrans-135.942.6-174.6-156.9-169.817100112.8S48S48-E50 PolarHBondContact O-N 2.92Å; S48-E50 VanDerWaalsContact O-N 3.11Å
51M45.3Very low66.7Low141 Ų14175.9 Ų75.970%0.69538%0.378SS*.SBendtrans-135.9129174.8-66-79.5-173.200109.4
52A55.7Low67.8Low49 Ų4972.6 Ų72.641%0.40536%0.364SS..  trans-38.4143176.100000112.9D54 V197A52-D54 PolarHBondContact O-N 3.5Å; A52-V197 HydrophobicContact CB-CG2 3.5Å; A52-V197 VanDerWaalsContact CB-CG2 3.5Å
53E69.1Low69Low59 Ų5967.9 Ų67.928%0.27635%0.345SS..  trans-42.2128.7175.3-167.3164.7-157.900110T57 F58 R61 P196E53-T57 HydrophobicContact CG-CG2 3.8Å; E53-T57 WeakPolarHBondContact OE1-CG2 3.32Å; E53-F58 HydrophobicContact CG-CB 4.44Å; E53-R61 IonicContact OE1-CZ 3.22Å; E53-R61 IonicContact OE1-NE 3.76Å; E53-R61 PolarHBondContact OE1-NE 3.33Å; E53-R61 IonicContact OE1-NH2 3.66Å; E53-R61 PolarHBondContact OE1-NH2 2.69Å; E53-P196 WeakPolarHBondContact O-CB 3.15Å; E53-P196 WeakPolarHBondContact O-CG 3.31Å
54D78.5Confident70.1Confident11 Ų1166.8 Ų66.86%0.05934%0.34CS..  trans-74.7155.7179.260.948.3000110.6K47 A52 N56 T57 F58K47-D54 WeakPolarHBondContact CE-OD2 3.18Å; K47-D54 IonicContact NZ-OD2 3.22Å; K47-D54 PolarHBondContact NZ-OD2 3.35Å; A52-D54 PolarHBondContact O-N 3.5Å; D54-N56 PolarHBondContact O-N 3.45Å; D54-N56 PolarHBondContact OD1-N 3.2Å; D54-T57 VanDerWaalsContact CG-OG1 3.24Å; D54-T57 PolarHBondContact O-N 2.93Å; D54-T57 VanDerWaalsContact O-N 3.07Å; D54-T57 WeakPolarHBondContact OD1-CB 3.49Å; D54-T57 PolarHBondContact OD1-N 3.26Å; D54-T57 PolarHBondContact OD1-OG1 2.96Å; D54-T57 PolarHBondContact OD2-OG1 3Å; D54-F58 PolarHBondContact O-N 3.42Å
55W86.6Confident71.7Confident0 Ų061.1 Ų61.10%032%0.316CS..Hα-helixtrans-57.5-32.2-178.5-85.3100.8000113.6F58 L59 I112 F195 P196 T198 Q200 P201 L254W55-F58 AromaticContact CE3-CD1 3.94Å; W55-F58 HydrophobicContact CE3-CD1 3.94Å; W55-F58 HydrophobicContact CE3-CE1 4.48Å; W55-F58 AromaticContact CZ3-CD1 3.88Å; W55-F58 HydrophobicContact CZ3-CD1 3.88Å; W55-F58 AromaticContact CZ3-CE1 3.95Å; W55-F58 HydrophobicContact CZ3-CE1 3.95Å; W55-L59 HydrophobicContact CE3-CD1 4.41Å; W55-L59 HydrophobicContact CE3-CG 4.3Å; W55-L59 VanDerWaalsContact O-CB 3.26Å; W55-L59 WeakPolarHBondContact O-CB 3.45Å; W55-L59 WeakPolarHBondContact O-CD1 3.48Å; W55-L59 WeakPolarHBondContact O-CG 3.37Å; W55-L59 PolarHBondContact O-N 3.32Å; W55-I112 HydrophobicContact CH2-CB 4.08Å; W55-I112 HydrophobicContact CH2-CG1 3.98Å; W55-I112 HydrophobicContact CH2-CG2 3.58Å; W55-I112 HydrophobicContact CZ2-CG1 4.46Å; W55-I112 HydrophobicContact CZ2-CG2 4.25Å; W55-I112 HydrophobicContact CZ3-CG2 4.02Å; W55-F195 HydrophobicContact CH2-CB 4.14Å; W55-F195 AromaticContact CH2-CD1 3.6Å; W55-F195 HydrophobicContact CH2-CD1 3.6Å; W55-F195 HydrophobicContact CH2-CE1 4.4Å; W55-F195 HydrophobicContact CH2-CG 4.18Å; W55-F195 HydrophobicContact CZ2-CB 4.14Å; W55-F195 HydrophobicContact CZ2-CD1 4.42Å; W55-F195 HydrophobicContact CZ3-CD1 4.31Å; W55-P196 HydrophobicContact CD2-CB 4.06Å; W55-P196 HydrophobicContact CD2-CG 4.04Å; W55-P196 HydrophobicContact CE3-CG 4.4Å; W55-P196 HydrophobicContact CG-CB 4.02Å; W55-P196 HydrophobicContact CG-CG 4.24Å; W55-P196 HydrophobicContact CZ2-CB 4.47Å; W55-P196 PolarHBondContact NE1-O 2.8Å; W55-T198 VanDerWaalsContact CD1-OG1 3.27Å; W55-T198 PolarHBondContact NE1-O 2.74Å; W55-Q200 HydrophobicContact CZ2-CG 4.13Å; W55-P201 HydrophobicContact CD2-CG 4.09Å; W55-P201 HydrophobicContact CE3-CG 3.94Å; W55-P201 HydrophobicContact CZ3-CG 4.27Å; W55-L254 HydrophobicContact CB-CB 4.25Å
56N86.7Confident73.5Confident2 Ų255 Ų551%0.01129%0.288CS..Hα-helixtrans-66.1-46.3175.2-82.2-38.5000111.9D54 F58 L59 L60 H248 L250 N251 T255D54-N56 PolarHBondContact O-N 3.45Å; D54-N56 PolarHBondContact OD1-N 3.2Å; N56-F58 VanDerWaalsContact C-N 3.34Å; N56-L59 PolarHBondContact O-N 2.93Å; N56-L60 VanDerWaalsContact O-CB 3.3Å; N56-L60 WeakPolarHBondContact O-CB 3.49Å; N56-L60 WeakPolarHBondContact O-CG 3.48Å; N56-L60 PolarHBondContact O-N 2.97Å; N56-H248 PolarHBondContact OD1-NE2 2.96Å; N56-L250 HydrophobicContact CB-CD2 3.81Å; N56-N251 PolarHBondContact ND2-O 2.82Å; N56-N251 PolarHBondContact OD1-N 2.81Å; N56-N251 VanDerWaalsContact OD1-N 3.11Å; N56-T255 HydrophobicContact CB-CG2 4.47Å; N56-T255 WeakPolarHBondContact ND2-CG2 3.4Å; N56-T255 PolarHBondContact ND2-N 2.72Å
57T86.9Confident75.4Confident37 Ų3752.5 Ų52.523%0.22728%0.275CS..Hα-helixtrans-62.5-46.4178.8-53.30000109.5K47 E53 D54 L60 R61K47-T57 PolarHBondContact NZ-OG1 3.47Å; E53-T57 HydrophobicContact CG-CG2 3.8Å; E53-T57 WeakPolarHBondContact OE1-CG2 3.32Å; D54-T57 VanDerWaalsContact CG-OG1 3.24Å; D54-T57 PolarHBondContact O-N 2.93Å; D54-T57 VanDerWaalsContact O-N 3.07Å; D54-T57 WeakPolarHBondContact OD1-CB 3.49Å; D54-T57 PolarHBondContact OD1-N 3.26Å; D54-T57 PolarHBondContact OD1-OG1 2.96Å; D54-T57 PolarHBondContact OD2-OG1 3Å; T57-L60 PolarHBondContact O-N 3.15Å; T57-R61 WeakPolarHBondContact O-CG 3.45Å; T57-R61 PolarHBondContact O-N 3.26Å
58F90.1Very high77.6Confident1 Ų146.2 Ų46.20%0.00425%0.248CC..Hα-helixtrans-58.5-51.1176.5178.3-100.8000112.2E53 D54 W55 N56 L60 R61 F62 I145 L188 V194 F195 P196E53-F58 HydrophobicContact CG-CB 4.44Å; D54-F58 PolarHBondContact O-N 3.42Å; W55-F58 AromaticContact CE3-CD1 3.94Å; W55-F58 HydrophobicContact CE3-CD1 3.94Å; W55-F58 HydrophobicContact CE3-CE1 4.48Å; W55-F58 AromaticContact CZ3-CD1 3.88Å; W55-F58 HydrophobicContact CZ3-CD1 3.88Å; W55-F58 AromaticContact CZ3-CE1 3.95Å; W55-F58 HydrophobicContact CZ3-CE1 3.95Å; N56-F58 VanDerWaalsContact C-N 3.34Å; F58-L60 VanDerWaalsContact C-N 3.31Å; F58-L60 PolarHBondContact O-N 3.16Å; F58-R61 WeakPolarHBondContact O-CB 3.47Å; F58-R61 PolarHBondContact O-N 3.3Å; F58-F62 HydrophobicContact CD1-CE2 4.14Å; F58-F62 AromaticContact CE1-CE2 3.7Å; F58-F62 HydrophobicContact CE1-CE2 3.7Å; F58-F62 HydrophobicContact CE1-CZ 4.18Å; F58-F62 HydrophobicContact CE2-CE2 4.46Å; F58-F62 AromaticContact CZ-CE2 3.88Å; F58-F62 HydrophobicContact CZ-CE2 3.88Å; F58-F62 HydrophobicContact CZ-CZ 4.11Å; F58-F62 WeakPolarHBondContact O-CD2 3.32Å; F58-I145 HydrophobicContact CE2-CD1 3.87Å; F58-I145 HydrophobicContact CZ-CD1 4.21Å; F58-L188 HydrophobicContact CE1-CD1 3.72Å; F58-L188 HydrophobicContact CZ-CD1 4.32Å; F58-V194 HydrophobicContact CE2-CG1 4.42Å; F58-V194 HydrophobicContact CZ-CG1 4.47Å; F58-F195 HydrophobicContact CE1-CD1 4.41Å; F58-F195 HydrophobicContact CZ-CD1 4.33Å; F58-P196 HydrophobicContact CB-CG 3.62Å; F58-P196 HydrophobicContact CD1-CG 4.3Å; F58-P196 HydrophobicContact CD2-CG 4.27Å; F58-P196 HydrophobicContact CG-CG 3.82Å
59L91.9Very high79.8Confident0 Ų044 Ų440%023%0.232CC..Hα-helixtrans-67.1-30.7-179.7-68.8168000112.8W55 N56 R61 F62 V114 M186 H248W55-L59 HydrophobicContact CE3-CD1 4.41Å; W55-L59 HydrophobicContact CE3-CG 4.3Å; W55-L59 VanDerWaalsContact O-CB 3.26Å; W55-L59 WeakPolarHBondContact O-CB 3.45Å; W55-L59 WeakPolarHBondContact O-CD1 3.48Å; W55-L59 WeakPolarHBondContact O-CG 3.37Å; W55-L59 PolarHBondContact O-N 3.32Å; N56-L59 PolarHBondContact O-N 2.93Å; L59-R61 VanDerWaalsContact C-N 3.26Å; L59-R61 PolarHBondContact O-N 3.46Å; L59-F62 WeakPolarHBondContact O-CB 3.49Å; L59-F62 PolarHBondContact O-N 2.81Å; L59-V114 HydrophobicContact CD1-CG1 3.81Å; L59-V114 HydrophobicContact CD2-CB 4.41Å; L59-V114 HydrophobicContact CD2-CG1 4.29Å; L59-V114 HydrophobicContact CD2-CG2 4.22Å; L59-M186 HydrophobicContact CD2-CE 3.73Å; L59-H248 HydrophobicContact CB-CB 4.05Å
60L90.4Very high81.5Confident60 Ų6038.6 Ų38.631%0.31420%0.198SC..Hα-helixtrans-65-27.8174.7-79.7173.5000112.7N56 T57 F58 F62 N63 L250N56-L60 VanDerWaalsContact O-CB 3.3Å; N56-L60 WeakPolarHBondContact O-CB 3.49Å; N56-L60 WeakPolarHBondContact O-CG 3.48Å; N56-L60 PolarHBondContact O-N 2.97Å; T57-L60 PolarHBondContact O-N 3.15Å; F58-L60 VanDerWaalsContact C-N 3.31Å; F58-L60 PolarHBondContact O-N 3.16Å; L60-F62 PolarHBondContact O-N 2.84Å; L60-N63 WeakPolarHBondContact CD2-ND2 3.43Å; L60-N63 VanDerWaalsContact O-CB 3.24Å; L60-N63 WeakPolarHBondContact O-CB 3.46Å; L60-N63 PolarHBondContact O-N 3.04Å; L60-L250 HydrophobicContact CD1-CD2 3.74Å; L60-L250 HydrophobicContact CD1-CG 4.46Å; L60-L250 HydrophobicContact CG-CD2 4.4Å
61R89.6Confident82.6Confident102 Ų10233.8 Ų33.839%0.38518%0.175SC..Hα-helixtrans-60.5-29.2175.9-58.1-61.4-173.8167.45.4112.7E53 T57 F58 L59 N63 D64 I145E53-R61 IonicContact OE1-CZ 3.22Å; E53-R61 IonicContact OE1-NE 3.76Å; E53-R61 PolarHBondContact OE1-NE 3.33Å; E53-R61 IonicContact OE1-NH2 3.66Å; E53-R61 PolarHBondContact OE1-NH2 2.69Å; T57-R61 WeakPolarHBondContact O-CG 3.45Å; T57-R61 PolarHBondContact O-N 3.26Å; F58-R61 WeakPolarHBondContact O-CB 3.47Å; F58-R61 PolarHBondContact O-N 3.3Å; L59-R61 VanDerWaalsContact C-N 3.26Å; L59-R61 PolarHBondContact O-N 3.46Å; R61-N63 PolarHBondContact O-N 2.95Å; R61-D64 PolarHBondContact O-N 2.97Å; R61-I145 HydrophobicContact CB-CB 3.91Å; R61-I145 HydrophobicContact CB-CG2 4.44Å; R61-I145 VanDerWaalsContact CB-O 3.31Å; R61-I145 WeakPolarHBondContact CB-O 3.09Å; R61-I145 WeakPolarHBondContact CD-O 3.43Å; R61-I145 WeakPolarHBondContact CG-O 3.21Å
62F91.1Very high83.5Confident1 Ų132.8 Ų32.80%0.00417%0.173CC..G310 helixtrans-69.8-17.2177.4-68.2-99.5000112.6F58 L59 L60 D64 L65 I140 I145 I158 M186 L188 V246F58-F62 HydrophobicContact CD1-CE2 4.14Å; F58-F62 AromaticContact CE1-CE2 3.7Å; F58-F62 HydrophobicContact CE1-CE2 3.7Å; F58-F62 HydrophobicContact CE1-CZ 4.18Å; F58-F62 HydrophobicContact CE2-CE2 4.46Å; F58-F62 AromaticContact CZ-CE2 3.88Å; F58-F62 HydrophobicContact CZ-CE2 3.88Å; F58-F62 HydrophobicContact CZ-CZ 4.11Å; F58-F62 WeakPolarHBondContact O-CD2 3.32Å; L59-F62 WeakPolarHBondContact O-CB 3.49Å; L59-F62 PolarHBondContact O-N 2.81Å; L60-F62 PolarHBondContact O-N 2.84Å; F62-D64 PolarHBondContact O-N 3.49Å; F62-L65 HydrophobicContact CD1-CD1 3.79Å; F62-L65 HydrophobicContact CE1-CD1 4.43Å; F62-L65 HydrophobicContact CG-CD1 4.41Å; F62-L65 WeakPolarHBondContact O-CB 3.38Å; F62-L65 PolarHBondContact O-N 2.94Å; F62-L65 VanDerWaalsContact O-N 3.15Å; F62-I140 HydrophobicContact CE1-CD1 3.91Å; F62-I140 HydrophobicContact CZ-CD1 4.48Å; F62-I145 HydrophobicContact CD1-CG2 4.36Å; F62-I145 HydrophobicContact CE1-CG2 4.31Å; F62-I145 HydrophobicContact CE2-CD1 4.08Å; F62-I145 HydrophobicContact CG-CG2 4.49Å; F62-I145 HydrophobicContact CZ-CD1 3.89Å; F62-I145 HydrophobicContact CZ-CG2 4.38Å; F62-I158 HydrophobicContact CD1-CD1 4.23Å; F62-I158 HydrophobicContact CE1-CD1 3.78Å; F62-I158 HydrophobicContact CE1-CG1 4.34Å; F62-M186 HydrophobicContact CD1-SD 4.41Å; F62-L188 HydrophobicContact CE1-CD2 3.85Å; F62-L188 HydrophobicContact CE2-CD1 4.38Å; F62-L188 HydrophobicContact CZ-CD1 3.98Å; F62-L188 HydrophobicContact CZ-CD2 3.9Å; F62-V246 HydrophobicContact CB-CB 4.48Å; F62-V246 HydrophobicContact CB-CG1 4.12Å
63N90.4Very high84Confident43 Ų4332.5 Ų32.523%0.2316%0.163CC..G310 helixtrans-67-23.2175.7-64.1-0.4000112.8L60 R61 L65 V246 Y247 H248L60-N63 WeakPolarHBondContact CD2-ND2 3.43Å; L60-N63 VanDerWaalsContact O-CB 3.24Å; L60-N63 WeakPolarHBondContact O-CB 3.46Å; L60-N63 PolarHBondContact O-N 3.04Å; R61-N63 PolarHBondContact O-N 2.95Å; N63-L65 VanDerWaalsContact C-N 3.26Å; N63-V246 WeakPolarHBondContact CA-O 3.34Å; N63-V246 PolarHBondContact OD1-O 2.79Å; N63-Y247 WeakPolarHBondContact OD1-CA 3.28Å; N63-H248 PolarHBondContact OD1-N 2.96Å
64D87.8Confident83.8Confident76 Ų7631.4 Ų31.441%0.40616%0.161SC..G310 helixtrans-87.33.7177.8-63.2-35.7000112R61 F62 A225R61-D64 PolarHBondContact O-N 2.97Å; F62-D64 PolarHBondContact O-N 3.49Å; D64-A225 WeakPolarHBondContact O-CB 3.46Å; D64-A225 PolarHBondContact O-N 2.97Å
65L89.2Confident82.9Confident3 Ų336.4 Ų36.42%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-95.2128.5174.5-63.3177.1000111.3F62 N63 I140 Q144 I145 R223F62-L65 HydrophobicContact CD1-CD1 3.79Å; F62-L65 HydrophobicContact CE1-CD1 4.43Å; F62-L65 HydrophobicContact CG-CD1 4.41Å; F62-L65 WeakPolarHBondContact O-CB 3.38Å; F62-L65 PolarHBondContact O-N 2.94Å; F62-L65 VanDerWaalsContact O-N 3.15Å; N63-L65 VanDerWaalsContact C-N 3.26Å; L65-I140 HydrophobicContact CD1-CD1 3.91Å; L65-Q144 HydrophobicContact CD2-CB 4.28Å; L65-I145 HydrophobicContact CD1-CG2 3.61Å; L65-I145 HydrophobicContact CD2-CG2 4.29Å; L65-I145 HydrophobicContact CG-CG2 4.1Å; L65-R223 WeakPolarHBondContact CA-O 3.24Å
66D90.8Very high81.6Confident25 Ų2542 Ų4213%0.13421%0.211CC..EExtended strand (participates in β ladder)trans-98127.1163.8-70.9-30.1000108.8A222 R223 W237 I243 K245D66-A222 CarbonylContact O-C 3.53Å; D66-A222 WeakPolarHBondContact O-CA 3.33Å; D66-R223 PolarHBondContact N-O 3.44Å; D66-R223 PolarHBondContact O-N 2.74Å; D66-W237 HydrophobicContact CB-CH2 3.68Å; D66-W237 HydrophobicContact CB-CZ2 3.73Å; D66-I243 HydrophobicContact CB-CG2 4.42Å; D66-K245 WeakPolarHBondContact OD1-CE 3.41Å; D66-K245 IonicContact OD1-NZ 2.78Å
67L90.7Very high80.3Confident3 Ų345.1 Ų45.12%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-97.4139.2173.6-58.8170.8000109.3L118 F160 T221 A222 I243 G244 V246L67-L118 HydrophobicContact CD1-CD1 4.2Å; L67-F160 HydrophobicContact CD1-CD2 4.35Å; L67-F160 HydrophobicContact CD1-CE2 3.51Å; L67-F160 HydrophobicContact CD1-CZ 3.81Å; L67-T221 CarbonylContact C-O 3.54Å; L67-T221 WeakPolarHBondContact CA-O 3.33Å; L67-A222 HydrophobicContact CD2-CB 3.58Å; L67-I243 CarbonylContact O-C 3.57Å; L67-I243 WeakPolarHBondContact O-CA 3.34Å; L67-G244 PolarHBondContact N-O 2.97Å; L67-G244 PolarHBondContact O-N 3.24Å; L67-V246 HydrophobicContact CD1-CG2 4.07Å
68C89Confident79Confident2 Ų248.9 Ų48.91%0.01424%0.244CC..EExtended strand (participates in β ladder)trans-107.5119.7167.6-175.70000110.9T220 T221 W237 C238C68-T220 WeakPolarHBondContact O-CA 2.96Å; C68-T220 VanDerWaalsContact O-CB 3.31Å; C68-T220 WeakPolarHBondContact O-CB 3.48Å; C68-T221 PolarHBondContact N-O 2.98Å; C68-T221 PolarHBondContact O-N 3.15Å; C68-T221 VanDerWaalsContact O-N 3.14Å; C68-W237 HydrophobicContact CB-CE3 3.87Å; C68-W237 HydrophobicContact CB-CH2 3.94Å; C68-W237 HydrophobicContact CB-CZ3 3.35Å; C68-C238 WeakPolarHBondContact CA-SG 3.22Å; C68-C238 HydrophobicContact CB-CB 3.56Å; C68-C238 WeakPolarHBondContact CB-SG 3.39Å; C68-C238 WeakPolarHBondContact SG-CA 3.28Å; C68-C238 WeakPolarHBondContact SG-CB 3.43Å; C68-C238 CovalentContact SG-SG 2.04Å; C68-C238 PolarHBondContact SG-SG 3.24Å
69V87.8Confident77.3Confident1 Ų153.2 Ų53.21%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-93111.9170.3-176.30000108.2L120 L136 W166 I218 T220 G241 A242V69-L120 HydrophobicContact CG2-CD2 4.04Å; V69-L136 HydrophobicContact CG1-CD2 4.42Å; V69-L136 HydrophobicContact CG2-CD2 4.36Å; V69-W166 HydrophobicContact CB-CH2 4.44Å; V69-W166 HydrophobicContact CB-CZ3 4.45Å; V69-W166 HydrophobicContact CG1-CH2 3.95Å; V69-W166 HydrophobicContact CG1-CZ3 3.63Å; V69-I218 HydrophobicContact CG1-CD1 4.31Å; V69-I218 HydrophobicContact CG1-CG2 3.68Å; V69-T220 HydrophobicContact CB-CG2 4.32Å; V69-T220 HydrophobicContact CG2-CG2 3.78Å; V69-G241 CarbonylContact O-C 3.51Å; V69-G241 WeakPolarHBondContact O-CA 3.34Å; V69-A242 HydrophobicContact CB-CB 4.21Å; V69-A242 PolarHBondContact N-O 3.28Å; V69-A242 PolarHBondContact O-N 3.05Å
70S78.6Confident75.5Confident19 Ų1958.2 Ų58.213%0.13330%0.297CS..  trans-145.2151.2176.173.50000112.1N72S70-N72 VanDerWaalsContact C-N 3.29Å; S70-N72 PolarHBondContact O-N 2.87Å
71E69.1Low73.8Confident74 Ų7460.7 Ų60.735%0.34631%0.31SS..Hα-helixtrans-64.1-32.5177.9-73-174.9160.100113.1E73 T74 L75 Y129E71-E73 PolarHBondContact O-N 3.13Å; E71-T74 PolarHBondContact O-N 2.85Å; E71-T74 VanDerWaalsContact O-N 3.07Å; E71-T74 PolarHBondContact O-OG1 2.94Å; E71-L75 PolarHBondContact O-N 3.45Å; E71-Y129 VanDerWaalsContact CD-N 3.32Å; E71-Y129 WeakPolarHBondContact OE1-CA 3.04Å; E71-Y129 PolarHBondContact OE1-N 3.3Å
72N64Low71.5Confident121 Ų12161 Ų6165%0.64732%0.323SS*.Hα-helixtrans-57.8-38.5-177.4-76.4-11.5000112.4S70 K76S70-N72 VanDerWaalsContact C-N 3.29Å; S70-N72 PolarHBondContact O-N 2.87Å; N72-K76 WeakPolarHBondContact O-CG 3.32Å; N72-K76 PolarHBondContact O-N 3.04Å
73E65.4Low68.9Low43 Ų4366.2 Ų66.220%0.20136%0.356CS..Hα-helixtrans-72.8-33.1179.8-62.9-56.6140.800111.8E71 L75 K76 H77 F219 T221E71-E73 PolarHBondContact O-N 3.13Å; E73-L75 PolarHBondContact O-N 2.9Å; E73-K76 IonicContact OE1-NZ 2.72Å; E73-K76 PolarHBondContact OE1-NZ 3.38Å; E73-K76 IonicContact OE2-NZ 3.51Å; E73-H77 PolarHBondContact O-N 3.48Å; E73-F219 HydrophobicContact CB-CB 4.43Å; E73-T221 HydrophobicContact CG-CG2 3.68Å
74T64.6Low66Low36 Ų3669.8 Ų69.822%0.22138%0.379CS..Hα-helixtrans-62.6-41.3174.1660000112.7E71 H77 L78 I218E71-T74 PolarHBondContact O-N 2.85Å; E71-T74 VanDerWaalsContact O-N 3.07Å; E71-T74 PolarHBondContact O-OG1 2.94Å; T74-H77 PolarHBondContact O-N 3.34Å; T74-L78 PolarHBondContact O-N 2.85Å; T74-L78 VanDerWaalsContact O-N 3.1Å; T74-I218 HydrophobicContact CG2-CB 3.98Å; T74-I218 HydrophobicContact CG2-CG1 4.09Å; T74-I218 HydrophobicContact CG2-CG2 3.61Å
75L59.6Low63.5Low115 Ų11572 Ų7260%0.60240%0.398SS*.Hα-helixtrans-69.8-38.6-177.8-169.369.2000112.2E71 E73 H77 L78 T79E71-L75 PolarHBondContact O-N 3.45Å; E73-L75 PolarHBondContact O-N 2.9Å; L75-H77 VanDerWaalsContact C-N 3.31Å; L75-H77 PolarHBondContact O-N 3.02Å; L75-L78 PolarHBondContact O-N 2.91Å; L75-T79 PolarHBondContact O-N 3.44Å; L75-T79 PolarHBondContact O-OG1 3.26Å
76K60Low60.6Low117 Ų11780.3 Ų80.351%0.50944%0.437SS..Hα-helixtrans-58.4-45.2175-71.8174.1-175.41720111.2N72 E73 T79 N80N72-K76 WeakPolarHBondContact O-CG 3.32Å; N72-K76 PolarHBondContact O-N 3.04Å; E73-K76 IonicContact OE1-NZ 2.72Å; E73-K76 PolarHBondContact OE1-NZ 3.38Å; E73-K76 IonicContact OE2-NZ 3.51Å; K76-T79 PolarHBondContact O-N 3.41Å; K76-N80 PolarHBondContact O-N 3.24Å
77H59.9Low57.8Low69 Ų6984.5 Ų84.532%0.31947%0.468SS..Hα-helixtrans-72.8-35.8-177.2-137.2-75.3000113E73 T74 L75 T79 N80 D81 F219E73-H77 PolarHBondContact O-N 3.48Å; T74-H77 PolarHBondContact O-N 3.34Å; L75-H77 VanDerWaalsContact C-N 3.31Å; L75-H77 PolarHBondContact O-N 3.02Å; H77-T79 PolarHBondContact O-N 2.95Å; H77-N80 PolarHBondContact O-N 3.32Å; H77-N80 VanDerWaalsContact O-N 3.15Å; H77-D81 IonicContact ND1-OD2 3.73Å; H77-D81 PolarHBondContact O-N 2.95Å; H77-F219 HydrophobicContact CB-CD1 4.01Å; H77-F219 HydrophobicContact CB-CD2 3.46Å; H77-F219 VanDerWaalsContact CB-CD2 3.46Å; H77-F219 HydrophobicContact CB-CE1 4.05Å; H77-F219 HydrophobicContact CB-CE2 3.5Å; H77-F219 VanDerWaalsContact CB-CE2 3.5Å; H77-F219 HydrophobicContact CB-CG 3.72Å; H77-F219 HydrophobicContact CB-CZ 3.79Å; H77-F219 AromaticContact CD2-CD1 3.45Å; H77-F219 VanDerWaalsContact CD2-CD1 3.45Å; H77-F219 WeakPolarHBondContact CD2-CD1 3.36Å; H77-F219 AromaticContact CD2-CE1 3.49Å; H77-F219 VanDerWaalsContact CD2-CE1 3.49Å; H77-F219 WeakPolarHBondContact CD2-CE1 3.45Å; H77-F219 AromaticContact CD2-CG 3.98Å; H77-F219 AromaticContact CE1-CE1 3.49Å; H77-F219 VanDerWaalsContact CE1-CE1 3.49Å; H77-F219 WeakPolarHBondContact CE1-CE1 3.41Å; H77-F219 AromaticContact CE1-CZ 3.79Å; H77-F219 AromaticContact CG-CD1 3.57Å; H77-F219 AromaticContact CG-CD2 3.89Å; H77-F219 AromaticContact CG-CE1 3.35Å; H77-F219 AromaticContact CG-CE2 3.69Å; H77-F219 AromaticContact CG-CG 3.83Å; H77-F219 AromaticContact CG-CZ 3.41Å; H77-F219 VanDerWaalsContact CG-CZ 3.41Å; H77-F219 AromaticContact ND1-CE1 3.37Å; H77-F219 WeakPolarHBondContact ND1-CE1 3.43Å; H77-F219 AromaticContact ND1-CE2 3.87Å; H77-F219 AromaticContact ND1-CZ 3.24Å; H77-F219 WeakPolarHBondContact ND1-CZ 3.31Å; H77-F219 AromaticContact NE2-CD1 3.91Å; H77-F219 AromaticContact NE2-CE1 3.59Å
78L59.1Low54.7Low116 Ų11689.9 Ų89.961%0.60750%0.501SS*.Hα-helixtrans-62-33.8174.3-156.877.2000112.1T74 L75 T82T74-L78 PolarHBondContact O-N 2.85Å; T74-L78 VanDerWaalsContact O-N 3.1Å; L75-L78 PolarHBondContact O-N 2.91Å; L78-T82 PolarHBondContact O-OG1 3.21Å
79T54.9Low51.8Low91 Ų9198.8 Ų98.856%0.55855%0.545SS*.Hα-helixtrans-69.6-34.4177.3-48.90000111.6L75 K76 H77L75-T79 PolarHBondContact O-N 3.44Å; L75-T79 PolarHBondContact O-OG1 3.26Å; K76-T79 PolarHBondContact O-N 3.41Å; H77-T79 PolarHBondContact O-N 2.95Å
80N54.1Low48.9Very low105 Ų105104.9 Ų104.956%0.56158%0.582SS**Hα-helixtrans-77.3-34.6178.4-70.4-8.5000113.1K76 H77 T82 T83K76-N80 PolarHBondContact O-N 3.24Å; H77-N80 PolarHBondContact O-N 3.32Å; H77-N80 VanDerWaalsContact O-N 3.15Å; N80-T82 PolarHBondContact O-N 2.96Å; N80-T83 PolarHBondContact O-N 3.43Å; N80-T83 PolarHBondContact O-OG1 2.77Å
81D53.5Low46.6Very low113 Ų113109.6 Ų109.660%0.60462%0.615SS**Hα-helixtrans-71.6-12176.2-79.2-32000113.3H77 T83H77-D81 IonicContact ND1-OD2 3.73Å; H77-D81 PolarHBondContact O-N 2.95Å; D81-T83 VanDerWaalsContact C-N 3.33Å
82T42.5Very low44.6Very low107 Ų107109.6 Ų109.666%0.65664%0.635SS**THydrogen-bonded Turntrans-82.3-10178.6-49.10000112.7L78 N80 T84L78-T82 PolarHBondContact O-OG1 3.21Å; N80-T82 PolarHBondContact O-N 2.96Å; T82-T84 PolarHBondContact O-N 3.33Å
83T35.9Very low43Very low112 Ų112112.7 Ų112.769%0.68765%0.645SS**SBendtrans-83.791.5166.746.10000110N80 D81N80-T83 PolarHBondContact O-N 3.43Å; N80-T83 PolarHBondContact O-OG1 2.77Å; D81-T83 VanDerWaalsContact C-N 3.33Å
84T29.2Very low41.3Very low118 Ų118115 Ų11572%0.72467%0.672SS**  trans-44.5130.1172.842.60000113.5T82T82-T84 PolarHBondContact O-N 3.33Å
85P36.6Very low39.5Very low123 Ų123125.5 Ų125.580%0.79971%0.708SS**  trans-78.1116.6153.412.81.2000108.4S87P85-S87 PolarHBondContact O-N 3.43Å
86E27.3Very low38.1Very low176 Ų176124.4 Ų124.482%0.82272%0.715SS**  trans-58.8108.7169-75.1-177.8151.700109.4T88E86-T88 PolarHBondContact O-N 2.88Å; E86-T88 VanDerWaalsContact O-N 3.11Å
87S31.4Very low36.5Very low113 Ų113124.2 Ų124.279%0.7973%0.729SS**  trans-73.892.9168.554.90000109.3P85 M89P85-S87 PolarHBondContact O-N 3.43Å; S87-M89 PolarHBondContact O-N 2.82Å
88T27.2Very low35Very low117 Ų117127.7 Ų127.772%0.71876%0.755SS**  trans-84.994.4166.2-24.70000108.7E86 T90E86-T88 PolarHBondContact O-N 2.88Å; E86-T88 VanDerWaalsContact O-N 3.11Å; T88-T90 PolarHBondContact O-N 2.77Å
89M28.4Very low33.9Very low188 Ų188131.6 Ų131.693%0.92677%0.77SS**  trans-63.9119.2158-83.6-164.4171.900108.6S87S87-M89 PolarHBondContact O-N 2.82Å
90T26.5Very low32.6Very low129 Ų129132.4 Ų132.479%0.79178%0.78SS**  trans-133109.5159-18.20000110T88T88-T90 PolarHBondContact O-N 2.77Å
91S29.6Very low31.7Very low118 Ų118133.4 Ų133.483%0.82579%0.792SS**  trans-57.8135.1167.2168.90000111.3
92G27.2Very low30.7Very low74 Ų74136.1 Ų136.176%0.76380%0.801SS**  trans-161.9111.4172.500000112.3
93Q30.3Very low30.2Very low186 Ų186135.3 Ų135.387%0.86981%0.805SS**  trans-64.2139.4-176.5-97.7151.9-56.800115.6
94A30Very low30.4Very low93 Ų93138.1 Ų138.177%0.76982%0.815SS**  trans17.1125.6144.800000121
95R25.8Very low30.9Very low255 Ų255139.5 Ų139.596%0.96281%0.813SS**  -159.7132.4127.9-113.6173.7-171158.33111.9
96A30Very low31.5Very low92 Ų92141 Ų14176%0.7682%0.815SS**  trans-82.3170176.500000112.7
97S27.2Very low33.1Very low114 Ų114136.1 Ų136.180%0.79780%0.8SS**  trans100.4126.5177.7-35.10000111.9
98T29.1Very low35.3Very low142 Ų142133 Ų13387%0.87179%0.786SS**  cis-165.1152.518.9-7.70000108.3
99Q35.1Very low38.2Very low198 Ų198132.1 Ų132.193%0.92578%0.782SS**  trans-63.2140.1-174-71.7164.5-28.600115.6
100S27Very low41.2Very low107 Ų107125.6 Ų125.675%0.74875%0.753SS**  trans-150.7157.2147.977.30000108.8
101P35.8Very low44.3Very low126 Ų126124.2 Ų124.282%0.81874%0.741SS**  trans-68.7132.5-145.322-28.9000114.2A103P101-A103 PolarHBondContact O-N 3.49Å
102Q31.8Very low47.2Very low170 Ų170118.8 Ų118.879%0.79470%0.702SS**  trans-55.4105.7179-68.7171.3-5700110.6L104Q102-L104 PolarHBondContact O-N 2.96Å
103A32.5Very low50.3Low91 Ų91116 Ų11675%0.75267%0.671SS**  trans-61.8124.8151.200000106.7P101 E105P101-A103 PolarHBondContact O-N 3.49Å; A103-E105 PolarHBondContact O-N 2.86Å
104L39.9Very low53.2Low171 Ų171107.5 Ų107.590%0.89563%0.632SS**  trans-20.6111.6173.5-165.372.3000111.9Q102 D106Q102-L104 PolarHBondContact O-N 2.96Å; L104-D106 PolarHBondContact O-N 3.39Å
105E40.2Very low56.2Low146 Ų146105.6 Ų105.668%0.68262%0.616SS**  trans-52.9113.4172.2-73.2176.314700107.8A103 S107A103-E105 PolarHBondContact O-N 2.86Å; E105-S107 PolarHBondContact O-N 2.86Å; E105-S107 PolarHBondContact O-OG 3.27Å
106D49.5Very low59.4Low156 Ų15693.6 Ų93.683%0.83457%0.571SS**  trans-62.590.5169.8-168.428.2000106.4L104 G108L104-D106 PolarHBondContact O-N 3.39Å; D106-G108 PolarHBondContact O-N 3.5Å; D106-G108 VanDerWaalsContact O-N 3.12Å
107S60.6Low62.4Low73 Ų7391.5 Ų91.551%0.5155%0.549SS..  trans-64.8116-177.3-63.90000105.8E105 P192E105-S107 PolarHBondContact O-N 2.86Å; E105-S107 PolarHBondContact O-OG 3.27Å; S107-P192 WeakPolarHBondContact O-CD 3.3Å
108G78.8Confident65.6Low48 Ų4886 Ų8650%0.49551%0.511SS..  trans-54.7176.3-178.700000113.4D106 V110D106-G108 PolarHBondContact O-N 3.5Å; D106-G108 VanDerWaalsContact O-N 3.12Å; G108-V110 PolarHBondContact O-N 2.92Å
109P87.3Confident68.7Low97 Ų9779.8 Ų79.863%0.6347%0.472SS*.  trans-57.5137.2-172.823.8-33.8000112.2T189 A190P109-T189 HydrophobicContact CB-CG2 3.96Å; P109-A190 WeakPolarHBondContact CA-O 3.39Å
110V90.4Very high71.4Confident52 Ų5270.3 Ų70.332%0.31543%0.428SS..EExtended strand (participates in β ladder)trans-103141-179.3179.80000109.5G108 I112 T189 A190 P192 F195G108-V110 PolarHBondContact O-N 2.92Å; V110-I112 HydrophobicContact CG1-CD1 4.02Å; V110-I112 HydrophobicContact CG1-CG1 4.29Å; V110-T189 WeakPolarHBondContact O-CA 3.49Å; V110-A190 PolarHBondContact N-O 3.28Å; V110-A190 PolarHBondContact O-N 3.45Å; V110-P192 HydrophobicContact CG2-CB 4.18Å; V110-P192 HydrophobicContact CG2-CG 3.72Å; V110-F195 HydrophobicContact CB-CD2 4.44Å; V110-F195 HydrophobicContact CB-CE2 4.08Å
111N91.3Very high74.4Confident100 Ų10068.3 Ų68.354%0.53541%0.409SS..EExtended strand (participates in β ladder)trans-108120.6179.5-62.3-17.5000110.6T187 L188 T189N111-T187 HydrophobicContact CB-CG2 4.46Å; N111-L188 CarbonylContact C-O 3.54Å; N111-L188 WeakPolarHBondContact CA-O 3.36Å; N111-T189 WeakPolarHBondContact OD1-CB 3.26Å; N111-T189 WeakPolarHBondContact OD1-CG2 3.37Å; N111-T189 PolarHBondContact OD1-OG1 2.82Å
112I90.9Very high76.9Confident4 Ų462.8 Ų62.82%0.02137%0.373CS..EExtended strand (participates in β ladder)trans-120.1129.4176.3-55.5-65.4000109.7W55 V110 V114 T187 L188 F195 P201W55-I112 HydrophobicContact CH2-CB 4.08Å; W55-I112 HydrophobicContact CH2-CG1 3.98Å; W55-I112 HydrophobicContact CH2-CG2 3.58Å; W55-I112 HydrophobicContact CZ2-CG1 4.46Å; W55-I112 HydrophobicContact CZ2-CG2 4.25Å; W55-I112 HydrophobicContact CZ3-CG2 4.02Å; V110-I112 HydrophobicContact CG1-CD1 4.02Å; V110-I112 HydrophobicContact CG1-CG1 4.29Å; I112-V114 HydrophobicContact CG2-CG2 4.08Å; I112-T187 CarbonylContact O-C 3.59Å; I112-T187 WeakPolarHBondContact O-CA 3.46Å; I112-L188 PolarHBondContact N-O 3.45Å; I112-L188 PolarHBondContact O-N 3.06Å; I112-F195 HydrophobicContact CB-CE1 4.35Å; I112-F195 HydrophobicContact CG1-CD1 4.17Å; I112-F195 HydrophobicContact CG1-CD2 4.45Å; I112-F195 HydrophobicContact CG1-CE1 4.08Å; I112-F195 HydrophobicContact CG1-CE2 4.36Å; I112-F195 HydrophobicContact CG1-CG 4.34Å; I112-F195 HydrophobicContact CG1-CZ 4.17Å; I112-P201 HydrophobicContact CG2-CG 4.25Å
113S92.3Very high79.2Confident16 Ų1657.4 Ų57.411%0.11235%0.349CS..EExtended strand (participates in β ladder)trans-111.5128.5-179.161.30000111.1M186 H203S113-M186 CarbonylContact C-O 3.48Å; S113-M186 VanDerWaalsContact CA-O 3.3Å; S113-M186 WeakPolarHBondContact CA-O 2.87Å; S113-H203 WeakPolarHBondContact OG-CA 3.37Å; S113-H203 WeakPolarHBondContact OG-CB 3.4Å; S113-H203 PolarHBondContact OG-ND1 2.69Å
114V92.4Very high81.3Confident6 Ų660.1 Ų60.14%0.03634%0.344CS..EExtended strand (participates in β ladder)trans-135.2135.5-177.5-1680000110.7L59 I112 I116 M186 P201 C204L59-V114 HydrophobicContact CD1-CG1 3.81Å; L59-V114 HydrophobicContact CD2-CB 4.41Å; L59-V114 HydrophobicContact CD2-CG1 4.29Å; L59-V114 HydrophobicContact CD2-CG2 4.22Å; I112-V114 HydrophobicContact CG2-CG2 4.08Å; V114-I116 PolarHBondContact O-N 2.95Å; V114-M186 PolarHBondContact N-O 2.94Å; V114-M186 PolarHBondContact O-N 2.89Å; V114-P201 HydrophobicContact CB-CG 4.38Å; V114-P201 HydrophobicContact CG1-CB 3.95Å; V114-P201 HydrophobicContact CG1-CG 4.21Å; V114-P201 HydrophobicContact CG2-CB 4Å; V114-P201 HydrophobicContact CG2-CG 3.36Å; V114-C204 PolarHBondContact N-SG 3.27Å; V114-C204 VanDerWaalsContact N-SG 3.41Å; V114-C204 PolarHBondContact O-SG 3.14Å; V114-C204 VanDerWaalsContact O-SG 3.37Å
115A91.6Very high82.7Confident53 Ų5355.4 Ų55.444%0.43832%0.324SS..EExtended strand (participates in β ladder)trans-71.1125171.500000109.8C204A115-C204 HydrophobicContact CB-CB 4.08Å; A115-C204 PolarHBondContact N-SG 3.48Å
116I92.9Very high84Confident4 Ų449.5 Ų49.52%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-139153.4-178.2-155.2153.2000111.2V114 F160 T183 A184 M186 V246 Y247 H248V114-I116 PolarHBondContact O-N 2.95Å; I116-F160 HydrophobicContact CG2-CD1 4.25Å; I116-F160 HydrophobicContact CG2-CE1 4.09Å; I116-T183 CarbonylContact O-C 3.57Å; I116-A184 PolarHBondContact N-O 3.48Å; I116-A184 PolarHBondContact O-N 3.49Å; I116-M186 HydrophobicContact CB-CB 4.42Å; I116-M186 HydrophobicContact CD1-CE 3.66Å; I116-M186 HydrophobicContact CD1-SD 4.09Å; I116-M186 HydrophobicContact CG2-CB 3.62Å; I116-M186 HydrophobicContact CG2-CG 4.48Å; I116-M186 HydrophobicContact CG2-SD 4.24Å; I116-V246 HydrophobicContact CD1-CG1 3.16Å; I116-V246 HydrophobicContact CG1-CG1 3.54Å; I116-V246 HydrophobicContact CG2-CG1 4.23Å; I116-Y247 WeakPolarHBondContact CG1-O 3.44Å; I116-H248 HydrophobicContact CD1-CB 4.2Å; I116-H248 HydrophobicContact CG1-CB 4.48Å
117T94.6Very high84.5Confident47 Ų4743.9 Ų43.929%0.28827%0.274SS..EExtended strand (participates in β ladder)trans-86.2126.9174.5-56.80000108.9V181 F182 V246 Y247T117-V181 HydrophobicContact CG2-CG1 3.74Å; T117-F182 CarbonylContact C-O 3.56Å; T117-F182 WeakPolarHBondContact CA-O 3.18Å; T117-V246 CarbonylContact O-C 3.51Å; T117-V246 WeakPolarHBondContact O-CA 3.41Å; T117-Y247 WeakPolarHBondContact CB-O 3.49Å; T117-Y247 PolarHBondContact N-O 3.28Å; T117-Y247 PolarHBondContact O-N 3.25Å
118L94.2Very high84.7Confident0 Ų040.7 Ų40.70%025%0.253CS..EExtended strand (participates in β ladder)trans-119.8128.4176.117671.5000108.7L67 L120 L136 F160 L162 F182 A184 K245 V246L67-L118 HydrophobicContact CD1-CD1 4.2Å; L118-L120 HydrophobicContact CD1-CD2 4.43Å; L118-L120 HydrophobicContact CD2-CD2 4.23Å; L118-L120 HydrophobicContact CG-CD2 4.29Å; L118-L136 HydrophobicContact CD2-CD1 3.72Å; L118-F160 HydrophobicContact CD2-CB 4.29Å; L118-F160 HydrophobicContact CD2-CD1 4.41Å; L118-F160 HydrophobicContact CD2-CG 4.3Å; L118-L162 HydrophobicContact CD2-CD2 3.82Å; L118-F182 PolarHBondContact N-O 2.85Å; L118-F182 PolarHBondContact O-N 3.25Å; L118-A184 HydrophobicContact CB-CB 4.23Å; L118-K245 CarbonylContact C-O 3.55Å; L118-K245 WeakPolarHBondContact CA-O 3.25Å; L118-V246 HydrophobicContact CD1-CG2 4.1Å
119T94.1Very high83.9Confident10 Ų1043.9 Ų43.96%0.06125%0.251CS..EExtended strand (participates in β ladder)trans-107.8141.1171.367.70000109.4V180 V181 G244 K245 Y247T119-V180 CarbonylContact C-O 3.57Å; T119-V180 VanDerWaalsContact CA-O 3.28Å; T119-V180 WeakPolarHBondContact CA-O 3.48Å; T119-V181 HydrophobicContact CG2-CG1 4.21Å; T119-V181 HydrophobicContact CG2-CG2 3.98Å; T119-G244 CarbonylContact O-C 3.53Å; T119-G244 WeakPolarHBondContact O-CA 3.44Å; T119-K245 PolarHBondContact N-O 3.18Å; T119-K245 PolarHBondContact O-N 3.33Å; T119-K245 WeakPolarHBondContact OG1-CB 3.48Å; T119-K245 PolarHBondContact OG1-O 2.81Å; T119-Y247 HydrophobicContact CG2-CD2 3.94Å; T119-Y247 HydrophobicContact CG2-CE2 3.78Å
120L91.5Very high83.2Confident0 Ų039.4 Ų39.40%022%0.222CC..EExtended strand (participates in β ladder)trans-122.3122.6172.4-57.9176.5000108.8V69 L118 L136 W166 Q179 V180 F182V69-L120 HydrophobicContact CG2-CD2 4.04Å; L118-L120 HydrophobicContact CD1-CD2 4.43Å; L118-L120 HydrophobicContact CD2-CD2 4.23Å; L118-L120 HydrophobicContact CG-CD2 4.29Å; L120-L136 HydrophobicContact CD1-CD1 4.25Å; L120-L136 HydrophobicContact CD2-CD1 4.04Å; L120-W166 HydrophobicContact CB-CZ2 4.42Å; L120-W166 HydrophobicContact CD1-CD2 3.52Å; L120-W166 HydrophobicContact CD1-CE3 3.57Å; L120-W166 HydrophobicContact CD1-CG 4.02Å; L120-W166 HydrophobicContact CD1-CH2 4.21Å; L120-W166 HydrophobicContact CD1-CZ2 4.16Å; L120-W166 HydrophobicContact CD1-CZ3 3.93Å; L120-Q179 WeakPolarHBondContact O-CA 3.48Å; L120-V180 HydrophobicContact CB-CG2 3.76Å; L120-V180 HydrophobicContact CD1-CG2 4.45Å; L120-V180 HydrophobicContact CG-CG2 4.45Å; L120-V180 PolarHBondContact N-O 2.71Å; L120-V180 PolarHBondContact O-N 3.29Å; L120-F182 HydrophobicContact CD1-CD2 4.37Å; L120-F182 HydrophobicContact CD1-CE2 3.91Å; L120-F182 HydrophobicContact CG-CE2 4.45Å
121D89.8Confident82.6Confident65 Ų6542.9 Ų42.935%0.34823%0.229SC..EExtended strand (participates in β ladder)trans-117.899.6-178.5-173.113.3000110.4L123 Q179 A242 I243D121-L123 PolarHBondContact O-N 2.86Å; D121-Q179 HydrophobicContact CB-CG 4.29Å; D121-A242 CarbonylContact O-C 3.58Å; D121-A242 VanDerWaalsContact O-CA 3.3Å; D121-A242 WeakPolarHBondContact O-CA 3.1Å; D121-I243 PolarHBondContact N-O 2.91Å; D121-I243 PolarHBondContact O-N 3.25Å
122P87.6Confident82.2Confident9 Ų943.2 Ų43.26%0.05823%0.231CC..EExtended strand (participates in β ladder)trans-72.2122-179.126.9-29.6000111.9F126 C171 C177 E178 A242P122-F126 HydrophobicContact CB-CD2 3.67Å; P122-F126 HydrophobicContact CB-CE2 3.75Å; P122-F126 HydrophobicContact CB-CG 4.36Å; P122-C171 HydrophobicContact CB-CB 4.4Å; P122-C171 HydrophobicContact CG-CB 4.39Å; P122-C177 HydrophobicContact CB-CB 4.46Å; P122-C177 HydrophobicContact CG-CB 3.99Å; P122-C177 WeakPolarHBondContact O-CB 3.41Å; P122-E178 WeakPolarHBondContact CD-O 3.42Å; P122-A242 HydrophobicContact CB-CB 4.24Å
123L81Confident81.9Confident58 Ų5843 Ų4330%0.30423%0.23SC..PPolyproline II helixtrans-84.7144.2-176.7-62.3177.6000112.6D121 P125 F126 G241 I243D121-L123 PolarHBondContact O-N 2.86Å; L123-P125 CarbonylContact O-C 3.54Å; L123-F126 WeakPolarHBondContact O-CA 3.14Å; L123-F126 VanDerWaalsContact O-CB 3.3Å; L123-F126 WeakPolarHBondContact O-CB 3.16Å; L123-F126 PolarHBondContact O-N 3.09Å; L123-G241 WeakPolarHBondContact CB-O 3.17Å; L123-G241 PolarHBondContact N-O 2.86Å; L123-I243 HydrophobicContact CD1-CD1 3.8Å; L123-I243 HydrophobicContact CD1-CG1 3.84Å; L123-I243 HydrophobicContact CD2-CD1 4.13Å; L123-I243 HydrophobicContact CD2-CG1 4.44Å; L123-I243 HydrophobicContact CG-CD1 4.27Å; L123-I243 HydrophobicContact CG-CG1 4.16Å
124K76.8Confident81.7Confident148 Ų14843.9 Ų43.964%0.64324%0.235SC*.SBendtrans-89.6136.7171.5-65.2-177.4-176.4-1750111.8G175 C177K124-G175 WeakPolarHBondContact CE-O 3.31Å; K124-G175 PolarHBondContact NZ-O 3.2Å; K124-C177 VanDerWaalsContact CE-SG 3.6Å; K124-C177 HydrophobicContact CG-CB 4.37Å
125P68.4Low81.5Confident72 Ų7244.8 Ų44.847%0.46824%0.238SC..SBendcis-70.7131.3-9.829.7-32.8000110.2L123 Y239 K240L123-P125 CarbonylContact O-C 3.54Å; P125-Y239 HydrophobicContact CG-CE2 4.19Å; P125-K240 HydrophobicContact CG-CG 4.37Å; P125-K240 VanDerWaalsContact O-CA 3.27Å; P125-K240 WeakPolarHBondContact O-CA 3.46Å; P125-K240 VanDerWaalsContact O-CG 3.25Å; P125-K240 WeakPolarHBondContact O-CG 3.38Å
126F67.6Low81.4Confident22 Ų2242.3 Ų42.310%0.09622%0.218CC..PPolyproline II helixtrans-85.1122.5174.2-164.8-100.8000107.7P122 L123 G128 S168 C171 A172 G241 A242P122-F126 HydrophobicContact CB-CD2 3.67Å; P122-F126 HydrophobicContact CB-CE2 3.75Å; P122-F126 HydrophobicContact CB-CG 4.36Å; L123-F126 WeakPolarHBondContact O-CA 3.14Å; L123-F126 VanDerWaalsContact O-CB 3.3Å; L123-F126 WeakPolarHBondContact O-CB 3.16Å; L123-F126 PolarHBondContact O-N 3.09Å; F126-G128 WeakPolarHBondContact CD1-O 3.32Å; F126-G128 WeakPolarHBondContact CE1-O 3.23Å; F126-S168 VanDerWaalsContact CE1-CB 3.42Å; F126-S168 WeakPolarHBondContact CE1-OG 3.28Å; F126-C171 WeakPolarHBondContact CB-SG 3.48Å; F126-A172 HydrophobicContact CD1-CB 4.34Å; F126-G241 WeakPolarHBondContact CD2-O 3.48Å; F126-G241 WeakPolarHBondContact CE2-O 3.32Å; F126-A242 HydrophobicContact CE2-CB 3.88Å
127G60.8Low81.3Confident37 Ų3744.5 Ų44.538%0.38123%0.226SC..  trans-114.4-6.8-17100000114.8K240G127-K240 PolarHBondContact N-O 3.11Å
128G64.5Low81.1Confident6 Ų642.5 Ų42.56%0.06221%0.214CC..  trans-94.1155.9172.200000112F126 K240F126-G128 WeakPolarHBondContact CD1-O 3.32Å; F126-G128 WeakPolarHBondContact CE1-O 3.23Å; G128-K240 PolarHBondContact N-O 3.32Å
129Y62.9Low81Confident116 Ų11645.9 Ų45.946%0.45524%0.235SC..  trans-11292.1169.2-66.9-86.7000108.7E71 A172 L173E71-Y129 VanDerWaalsContact CD-N 3.32Å; E71-Y129 WeakPolarHBondContact OE1-CA 3.04Å; E71-Y129 PolarHBondContact OE1-N 3.3Å; Y129-A172 HydrophobicContact CD1-CB 3.94Å; Y129-A172 HydrophobicContact CE1-CB 3.75Å; Y129-L173 HydrophobicContact CE1-CD2 4.33Å
130S71.6Confident80.8Confident2 Ų245.4 Ų45.41%0.01423%0.232CC..  trans-91.8114.2173.7-55.90000108.7S167 S168 I218S130-S167 CarbonylContact O-C 3.56Å; S130-S167 VanDerWaalsContact O-CA 3.28Å; S130-S167 WeakPolarHBondContact O-CA 3.1Å; S130-S168 WeakPolarHBondContact CB-OG 3.16Å; S130-S168 PolarHBondContact N-OG 2.95Å; S130-S168 VanDerWaalsContact N-OG 3.08Å; S130-S168 PolarHBondContact O-N 2.9Å; S130-S168 PolarHBondContact O-OG 3.23Å; S130-I218 WeakPolarHBondContact OG-CD1 3.38Å
131R77.8Confident80.8Confident126 Ų12648.1 Ų48.148%0.47525%0.246SC..  trans-118.2129.1-179.8-68-172172.3-168.5-4.9110.9V133 D169 Y216R131-V133 VanDerWaalsContact C-N 3.25Å; R131-V133 PolarHBondContact O-N 2.99Å; R131-D169 IonicContact CZ-OD1 3.19Å; R131-D169 IonicContact NE-OD1 2.72Å; R131-D169 PolarHBondContact NE-OD1 2.88Å; R131-D169 IonicContact NE-OD2 3.52Å; R131-D169 IonicContact NH2-OD1 2.87Å; R131-D169 PolarHBondContact NH2-OD1 2.97Å; R131-Y216 WeakPolarHBondContact O-CD1 3.34Å
132N83.4Confident80.8Confident106 Ų10645 Ų4557%0.56723%0.229SC*.SBendtrans54.339.7174.3-59.5-29000113.6T134 A165 W166 S167 Y216N132-T134 PolarHBondContact O-N 3.21Å; N132-A165 HydrophobicContact CB-CB 4.32Å; N132-W166 PolarHBondContact N-O 3.33Å; N132-S167 PolarHBondContact N-OG 2.79Å; N132-S167 PolarHBondContact OD1-OG 3.12Å; N132-Y216 VanDerWaalsContact O-CB 3.28Å; N132-Y216 WeakPolarHBondContact O-CB 3.44Å
133V85.3Confident80.9Confident0 Ų049.5 Ų49.50%025%0.25CC..EExtended strand (participates in β ladder)trans-65.2126.4178.4-171.70000109.6R131 L136 A165 W166 Y216 I218R131-V133 VanDerWaalsContact C-N 3.25Å; R131-V133 PolarHBondContact O-N 2.99Å; V133-L136 HydrophobicContact CG1-CD2 3.61Å; V133-L136 HydrophobicContact CG1-CG 4.39Å; V133-A165 CarbonylContact O-C 3.14Å; V133-A165 VanDerWaalsContact O-CA 3.26Å; V133-A165 WeakPolarHBondContact O-CA 3.13Å; V133-W166 HydrophobicContact CB-CB 4.36Å; V133-W166 HydrophobicContact CB-CE3 3.95Å; V133-W166 WeakPolarHBondContact CB-O 3.26Å; V133-W166 HydrophobicContact CG1-CE3 4.31Å; V133-W166 HydrophobicContact CG2-CE3 3.79Å; V133-W166 HydrophobicContact CG2-CZ3 4.25Å; V133-W166 WeakPolarHBondContact CG2-O 3.34Å; V133-W166 PolarHBondContact N-O 2.82Å; V133-W166 PolarHBondContact O-N 3.19Å; V133-Y216 HydrophobicContact CB-CD1 4.46Å; V133-Y216 HydrophobicContact CG2-CD1 4Å; V133-Y216 HydrophobicContact CG2-CE1 4.31Å; V133-I218 HydrophobicContact CB-CD1 4.28Å; V133-I218 HydrophobicContact CG1-CB 4.31Å; V133-I218 HydrophobicContact CG1-CD1 3.93Å; V133-I218 HydrophobicContact CG1-CG1 3.98Å; V133-I218 HydrophobicContact CG2-CD1 3.32Å; V133-I218 HydrophobicContact CG2-CG1 4.1Å
134T86.6Confident81.1Confident35 Ų3548.9 Ų48.922%0.21525%0.245CC..EExtended strand (participates in β ladder)trans-117.7-25179.151.70000112.1N132 L162 A165 Y216N132-T134 PolarHBondContact O-N 3.21Å; T134-L162 PolarHBondContact O-N 2.84Å; T134-A165 HydrophobicContact CG2-CB 4.1Å; T134-Y216 PolarHBondContact N-O 3.03Å; T134-Y216 VanDerWaalsContact N-O 3.14Å; T134-Y216 PolarHBondContact OG1-N 2.78Å; T134-Y216 PolarHBondContact OG1-O 2.96Å
135H88.4Confident81.7Confident24 Ų2442 Ų4211%0.11122%0.215CC..EExtended strand (participates in β ladder)trans-133.5132.5-177.6-66.274.6000110.6Y137 F160 T161 W215 Y216 K217 I218H135-Y137 HydrophobicContact CB-CD2 4.28Å; H135-Y137 HydrophobicContact CB-CE2 3.63Å; H135-F160 VanDerWaalsContact CA-O 3.3Å; H135-F160 WeakPolarHBondContact CA-O 3.21Å; H135-T161 PolarHBondContact CD2-OG1 3.29Å; H135-T161 VanDerWaalsContact CD2-OG1 3.26Å; H135-T161 WeakPolarHBondContact NE2-CG2 3.47Å; H135-T161 PolarHBondContact NE2-OG1 3.11Å; H135-W215 AromaticContact CE1-CD1 3.41Å; H135-W215 VanDerWaalsContact CE1-CD1 3.41Å; H135-W215 AromaticContact CE1-CG 3.92Å; H135-W215 AromaticContact ND1-CD1 3.84Å; H135-Y216 PolarHBondContact N-O 2.99Å; H135-K217 HydrophobicContact CB-CG 4.23Å; H135-K217 WeakPolarHBondContact O-CA 3.37Å; H135-I218 PolarHBondContact O-N 2.95Å
136L89.8Confident82.5Confident1 Ų140.6 Ų40.61%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-112.2128.8170.5-57.5173.4000108.7V69 L118 L120 V133 T159 F160 I218 T220V69-L136 HydrophobicContact CG1-CD2 4.42Å; V69-L136 HydrophobicContact CG2-CD2 4.36Å; L118-L136 HydrophobicContact CD2-CD1 3.72Å; L120-L136 HydrophobicContact CD1-CD1 4.25Å; L120-L136 HydrophobicContact CD2-CD1 4.04Å; V133-L136 HydrophobicContact CG1-CD2 3.61Å; V133-L136 HydrophobicContact CG1-CG 4.39Å; L136-T159 CarbonylContact O-C 3.57Å; L136-T159 WeakPolarHBondContact O-CA 3.15Å; L136-F160 HydrophobicContact CB-CB 4.21Å; L136-F160 HydrophobicContact CB-CD2 4.16Å; L136-F160 PolarHBondContact N-O 2.9Å; L136-F160 PolarHBondContact O-N 2.85Å; L136-I218 CarbonylContact C-O 3.52Å; L136-I218 WeakPolarHBondContact CA-O 3.25Å; L136-I218 HydrophobicContact CD2-CB 3.94Å; L136-I218 HydrophobicContact CD2-CG2 4.28Å; L136-T220 HydrophobicContact CB-CG2 4.17Å; L136-T220 HydrophobicContact CD2-CG2 4.13Å
137Y90.4Very high83.5Confident51 Ų5140.6 Ų40.620%0.221%0.214CC..EExtended strand (participates in β ladder)trans-110.4139.4179-74.5-92.6000109.7H135 I158 T159 K217 I218 F219 T220H135-Y137 HydrophobicContact CB-CD2 4.28Å; H135-Y137 HydrophobicContact CB-CE2 3.63Å; Y137-I158 CarbonylContact C-O 3.58Å; Y137-I158 WeakPolarHBondContact CA-O 3.35Å; Y137-T159 HydrophobicContact CD1-CG2 4.1Å; Y137-T159 WeakPolarHBondContact CD1-OG1 3.47Å; Y137-T159 HydrophobicContact CE1-CG2 3.57Å; Y137-T159 WeakPolarHBondContact CE1-OG1 3.42Å; Y137-T159 HydrophobicContact CE2-CG2 4.06Å; Y137-K217 HydrophobicContact CD2-CB 3.87Å; Y137-K217 HydrophobicContact CD2-CD 4.17Å; Y137-K217 HydrophobicContact CD2-CG 4.2Å; Y137-K217 HydrophobicContact CE2-CB 3.73Å; Y137-K217 HydrophobicContact CE2-CD 3.34Å; Y137-K217 HydrophobicContact CE2-CG 3.52Å; Y137-K217 WeakPolarHBondContact OH-CE 3.09Å; Y137-K217 PolarHBondContact OH-NZ 2.84Å; Y137-I218 PolarHBondContact N-O 3.2Å; Y137-F219 HydrophobicContact CG-CE1 4.47Å; Y137-F219 CarbonylContact O-C 3.54Å; Y137-F219 WeakPolarHBondContact O-CA 3.3Å; Y137-T220 PolarHBondContact O-N 3.12Å; Y137-T220 PolarHBondContact O-OG1 3.4Å
138S90.9Very high84.7Confident5 Ų543.3 Ų43.34%0.03523%0.228CC..EExtended strand (participates in β ladder)trans-145.5153.4170.4-154.90000109.8I158 T220S138-I158 PolarHBondContact N-O 3.45Å; S138-I158 PolarHBondContact O-N 3.07Å; S138-T220 VanDerWaalsContact CB-OG1 3.31Å; S138-T220 WeakPolarHBondContact CB-OG1 3.3Å; S138-T220 PolarHBondContact OG-O 3.02Å; S138-T220 PolarHBondContact OG-OG1 2.96Å
139T91.1Very high85.8Confident70 Ų7045.6 Ų45.643%0.42925%0.252SS..EExtended strand (participates in β ladder)trans-124130.2170.8-59.40000107.2E155 N157T139-E155 HydrophobicContact CG2-CB 4.23Å; T139-E155 HydrophobicContact CG2-CG 4.42Å; T139-N157 VanDerWaalsContact CG2-OD1 3.29Å; T139-N157 WeakPolarHBondContact CG2-OD1 3.35Å; T139-N157 PolarHBondContact OG1-OD1 3.25Å
140I91.8Very high86.9Confident1 Ų149.6 Ų49.61%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-127.1160.2177.166.4167000110.3F62 L65 I145 E155 I156 I158 A222F62-I140 HydrophobicContact CE1-CD1 3.91Å; F62-I140 HydrophobicContact CZ-CD1 4.48Å; L65-I140 HydrophobicContact CD1-CD1 3.91Å; I140-I145 HydrophobicContact CD1-CD1 4.33Å; I140-I145 HydrophobicContact CD1-CG1 4.34Å; I140-I145 HydrophobicContact CD1-CG2 3.56Å; I140-E155 CarbonylContact O-C 3.57Å; I140-E155 WeakPolarHBondContact O-CA 3.4Å; I140-I156 HydrophobicContact CD1-CB 4.47Å; I140-I156 HydrophobicContact CD1-CD1 4.46Å; I140-I156 HydrophobicContact CG1-CB 3.83Å; I140-I156 HydrophobicContact CG1-CD1 4.49Å; I140-I156 HydrophobicContact CG1-CG2 4.49Å; I140-I156 PolarHBondContact N-O 3.28Å; I140-I156 PolarHBondContact O-N 3.49Å; I140-I158 HydrophobicContact CB-CD1 4.49Å; I140-I158 HydrophobicContact CD1-CD1 3.73Å; I140-I158 HydrophobicContact CG1-CD1 3.82Å; I140-I158 HydrophobicContact CG1-CG1 4.42Å; I140-I158 HydrophobicContact CG2-CD1 3.89Å; I140-A222 HydrophobicContact CG2-CB 3.33Å
141L91.6Very high87.6Confident56 Ų5652.7 Ų52.729%0.29328%0.28SS..EExtended strand (participates in β ladder)trans-95147.9168-66.3167.4000110.3H143 Q144 E154 E155L141-H143 WeakPolarHBondContact CB-CD2 3.22Å; L141-H143 WeakPolarHBondContact CD1-NE2 3.37Å; L141-H143 PolarHBondContact O-N 2.88Å; L141-H143 VanDerWaalsContact O-N 3.13Å; L141-Q144 HydrophobicContact CB-CG 4.38Å; L141-Q144 VanDerWaalsContact O-CB 3.3Å; L141-Q144 WeakPolarHBondContact O-CB 3.36Å; L141-Q144 PolarHBondContact O-N 2.73Å; L141-E154 WeakPolarHBondContact CA-O 3.32Å; L141-E155 HydrophobicContact CD2-CG 3.71Å
142G89.1Confident88.1Confident0 Ų047.1 Ų47.10%026%0.261CS..G310 helixtrans-53.3-35.5179.400000114.1Q144 I145 G146 L147 A152 E154G142-Q144 PolarHBondContact O-N 3.07Å; G142-I145 WeakPolarHBondContact O-CG1 3.34Å; G142-I145 PolarHBondContact O-N 3.4Å; G142-I145 VanDerWaalsContact O-N 3.12Å; G142-G146 PolarHBondContact O-N 3.34Å; G142-L147 VanDerWaalsContact O-CB 3.31Å; G142-L147 WeakPolarHBondContact O-CB 3.16Å; G142-L147 PolarHBondContact O-N 2.6Å; G142-A152 PolarHBondContact N-O 3.45Å; G142-E154 PolarHBondContact N-O 2.9Å
143H88.4Confident88.4Confident104 Ų10449.3 Ų49.348%0.48127%0.267SS..G310 helixtrans-62.6-25.7177.775.881.8000113.1L141 I145 G146 A152L141-H143 WeakPolarHBondContact CB-CD2 3.22Å; L141-H143 WeakPolarHBondContact CD1-NE2 3.37Å; L141-H143 PolarHBondContact O-N 2.88Å; L141-H143 VanDerWaalsContact O-N 3.13Å; H143-I145 PolarHBondContact O-N 3.18Å; H143-G146 PolarHBondContact O-N 2.78Å; H143-G146 VanDerWaalsContact O-N 3.17Å; H143-A152 HydrophobicContact CB-CB 4.09Å; H143-A152 WeakPolarHBondContact CB-O 3.22Å; H143-A152 PolarHBondContact CD2-O 3.26Å; H143-A152 PolarHBondContact N-O 3.22Å
144Q87Confident88.6Confident44 Ų4452.4 Ų52.421%0.20628%0.282CS..G310 helixtrans-71.3-21.1178.9-60.4-178.2-97.300112.5L65 L141 G142L65-Q144 HydrophobicContact CD2-CB 4.28Å; L141-Q144 HydrophobicContact CB-CG 4.38Å; L141-Q144 VanDerWaalsContact O-CB 3.3Å; L141-Q144 WeakPolarHBondContact O-CB 3.36Å; L141-Q144 PolarHBondContact O-N 2.73Å; G142-Q144 PolarHBondContact O-N 3.07Å
145I88.8Confident88.9Confident5 Ų556.8 Ų56.83%0.02630%0.3CS..G310 helixtrans-106.515.7172.955.1166.9000111.8F58 R61 F62 L65 I140 G142 H143 L147 I156F58-I145 HydrophobicContact CE2-CD1 3.87Å; F58-I145 HydrophobicContact CZ-CD1 4.21Å; R61-I145 HydrophobicContact CB-CB 3.91Å; R61-I145 HydrophobicContact CB-CG2 4.44Å; R61-I145 VanDerWaalsContact CB-O 3.31Å; R61-I145 WeakPolarHBondContact CB-O 3.09Å; R61-I145 WeakPolarHBondContact CD-O 3.43Å; R61-I145 WeakPolarHBondContact CG-O 3.21Å; F62-I145 HydrophobicContact CD1-CG2 4.36Å; F62-I145 HydrophobicContact CE1-CG2 4.31Å; F62-I145 HydrophobicContact CE2-CD1 4.08Å; F62-I145 HydrophobicContact CG-CG2 4.49Å; F62-I145 HydrophobicContact CZ-CD1 3.89Å; F62-I145 HydrophobicContact CZ-CG2 4.38Å; L65-I145 HydrophobicContact CD1-CG2 3.61Å; L65-I145 HydrophobicContact CD2-CG2 4.29Å; L65-I145 HydrophobicContact CG-CG2 4.1Å; I140-I145 HydrophobicContact CD1-CD1 4.33Å; I140-I145 HydrophobicContact CD1-CG1 4.34Å; I140-I145 HydrophobicContact CD1-CG2 3.56Å; G142-I145 WeakPolarHBondContact O-CG1 3.34Å; G142-I145 PolarHBondContact O-N 3.4Å; G142-I145 VanDerWaalsContact O-N 3.12Å; H143-I145 PolarHBondContact O-N 3.18Å; I145-L147 HydrophobicContact CD1-CD1 4.03Å; I145-L147 HydrophobicContact CD1-CG 4.19Å; I145-L147 HydrophobicContact CG1-CD1 4.31Å; I145-L147 HydrophobicContact CG1-CG 4.08Å; I145-I156 HydrophobicContact CD1-CD1 3.5Å; I145-I156 HydrophobicContact CG1-CD1 4.32Å
146G85.8Confident89.2Confident42 Ų4255.6 Ų55.643%0.43329%0.294SS..THydrogen-bonded Turntrans81.113.7174.700000115.3G142 H143G142-G146 PolarHBondContact O-N 3.34Å; H143-G146 PolarHBondContact O-N 2.78Å; H143-G146 VanDerWaalsContact O-N 3.17Å
147L87.6Confident89.4Confident21 Ų2158.9 Ų58.911%0.1131%0.312CS..  trans-67.7147.2169.1-57.4178.5000110.1G142 I145 E151 A152 I156 V194G142-L147 VanDerWaalsContact O-CB 3.31Å; G142-L147 WeakPolarHBondContact O-CB 3.16Å; G142-L147 PolarHBondContact O-N 2.6Å; I145-L147 HydrophobicContact CD1-CD1 4.03Å; I145-L147 HydrophobicContact CD1-CG 4.19Å; I145-L147 HydrophobicContact CG1-CD1 4.31Å; I145-L147 HydrophobicContact CG1-CG 4.08Å; L147-E151 HydrophobicContact CB-CB 4.34Å; L147-E151 HydrophobicContact CD1-CB 4.31Å; L147-A152 VanDerWaalsContact O-CB 3.31Å; L147-A152 WeakPolarHBondContact O-CB 3.3Å; L147-I156 HydrophobicContact CD1-CD1 4.22Å; L147-V194 HydrophobicContact CD1-CG1 3.77Å
148S86.3Confident89.6Confident95 Ų9556.5 Ų56.566%0.66430%0.303SS*.  trans-124.5163.5-178.1-65.40000109.8
149G87.1Confident89.7Confident54 Ų5457.2 Ų57.256%0.55731%0.307SS*.THydrogen-bonded Turntrans80.3-138.1177.500000113.4A152 H153G149-A152 WeakPolarHBondContact O-CB 3.48Å; G149-H153 PolarHBondContact O-ND1 3.27Å
150R85.7Confident89.7Confident199 Ų19954 Ų5475%0.75129%0.287SS*.THydrogen-bonded Turntrans-71.1-40.9-178.8-179.1-177.1-68.5-148.5-0.4110.1A152 H153R150-A152 PolarHBondContact O-N 3.37Å; R150-H153 PolarHBondContact O-N 3.11Å; R150-H153 VanDerWaalsContact O-N 3.12Å
151E86.9Confident89.7Confident68 Ų6854.7 Ų54.732%0.31829%0.291SS..G310 helixtrans-63.3-23.4-177.6-59.771.2-156.200112L147 H153 E154L147-E151 HydrophobicContact CB-CB 4.34Å; L147-E151 HydrophobicContact CD1-CB 4.31Å; E151-H153 PolarHBondContact O-N 2.92Å; E151-E154 PolarHBondContact O-N 3.29Å
152A87.4Confident89.6Confident9 Ų952 Ų527%0.07428%0.277CS..G310 helixtrans-61.9-28.6175.400000113.5G142 H143 L147 G149 R150G142-A152 PolarHBondContact N-O 3.45Å; H143-A152 HydrophobicContact CB-CB 4.09Å; H143-A152 WeakPolarHBondContact CB-O 3.22Å; H143-A152 PolarHBondContact CD2-O 3.26Å; H143-A152 PolarHBondContact N-O 3.22Å; L147-A152 VanDerWaalsContact O-CB 3.31Å; L147-A152 WeakPolarHBondContact O-CB 3.3Å; G149-A152 WeakPolarHBondContact O-CB 3.48Å; R150-A152 PolarHBondContact O-N 3.37Å
153H90.2Very high89.6Confident151 Ų15153.9 Ų53.970%0.69929%0.289SS*.G310 helixtrans-100.2-0.7-177.3-59.981.8000112.6G149 R150 E151G149-H153 PolarHBondContact O-ND1 3.27Å; R150-H153 PolarHBondContact O-N 3.11Å; R150-H153 VanDerWaalsContact O-N 3.12Å; E151-H153 PolarHBondContact O-N 2.92Å
154E90.8Very high89.5Confident66 Ų6652.8 Ų52.831%0.30829%0.29SS..  trans-75.6137.7177.2-67.3-68.6156.600110.1L141 G142 E151 V194L141-E154 WeakPolarHBondContact CA-O 3.32Å; G142-E154 PolarHBondContact N-O 2.9Å; E151-E154 PolarHBondContact O-N 3.29Å; E154-V194 HydrophobicContact CB-CG2 3.77Å; E154-V194 HydrophobicContact CG-CG2 4.06Å
155E92.7Very high89.4Confident126 Ų12653.1 Ų53.159%0.58930%0.301SS*.EExtended strand (participates in β ladder)trans-81.4134.2172.3-69.8-178176.200110.2T139 I140 L141T139-E155 HydrophobicContact CG2-CB 4.23Å; T139-E155 HydrophobicContact CG2-CG 4.42Å; I140-E155 CarbonylContact O-C 3.57Å; I140-E155 WeakPolarHBondContact O-CA 3.4Å; L141-E155 HydrophobicContact CD2-CG 3.71Å
156I93.9Very high89.3Confident0 Ų053.5 Ų53.50%030%0.302CS..EExtended strand (participates in β ladder)trans-119.7113.9178.4-51.3172.5000106.9I140 I145 L147 I158 L188 A190 V194I140-I156 HydrophobicContact CD1-CB 4.47Å; I140-I156 HydrophobicContact CD1-CD1 4.46Å; I140-I156 HydrophobicContact CG1-CB 3.83Å; I140-I156 HydrophobicContact CG1-CD1 4.49Å; I140-I156 HydrophobicContact CG1-CG2 4.49Å; I140-I156 PolarHBondContact N-O 3.28Å; I140-I156 PolarHBondContact O-N 3.49Å; I145-I156 HydrophobicContact CD1-CD1 3.5Å; I145-I156 HydrophobicContact CG1-CD1 4.32Å; L147-I156 HydrophobicContact CD1-CD1 4.22Å; I156-I158 HydrophobicContact CG2-CG1 4.43Å; I156-L188 HydrophobicContact CG2-CD2 4.3Å; I156-A190 HydrophobicContact CB-CB 4.37Å; I156-A190 HydrophobicContact CG1-CB 4.04Å; I156-A190 HydrophobicContact CG2-CB 4.22Å; I156-V194 HydrophobicContact CD1-CG1 3.57Å; I156-V194 HydrophobicContact CG1-CG1 3.99Å
157N94.2Very high89.3Confident69 Ų6953.8 Ų53.837%0.36930%0.297SS..EExtended strand (participates in β ladder)trans-86.7125.1175.7-71.9-27.1000109.4T139 L188 T189T139-N157 VanDerWaalsContact CG2-OD1 3.29Å; T139-N157 WeakPolarHBondContact CG2-OD1 3.35Å; T139-N157 PolarHBondContact OG1-OD1 3.25Å; N157-L188 CarbonylContact O-C 3.57Å; N157-L188 WeakPolarHBondContact O-CA 3.37Å; N157-T189 PolarHBondContact N-O 3.21Å; N157-T189 PolarHBondContact O-N 3.37Å
158I94Very high89Confident1 Ų153 Ų531%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-113.4126.4-178.1-49.6167.6000108.3F62 Y137 S138 I140 I156 F160 M186 T187 L188F62-I158 HydrophobicContact CD1-CD1 4.23Å; F62-I158 HydrophobicContact CE1-CD1 3.78Å; F62-I158 HydrophobicContact CE1-CG1 4.34Å; Y137-I158 CarbonylContact C-O 3.58Å; Y137-I158 WeakPolarHBondContact CA-O 3.35Å; S138-I158 PolarHBondContact N-O 3.45Å; S138-I158 PolarHBondContact O-N 3.07Å; I140-I158 HydrophobicContact CB-CD1 4.49Å; I140-I158 HydrophobicContact CD1-CD1 3.73Å; I140-I158 HydrophobicContact CG1-CD1 3.82Å; I140-I158 HydrophobicContact CG1-CG1 4.42Å; I140-I158 HydrophobicContact CG2-CD1 3.89Å; I156-I158 HydrophobicContact CG2-CG1 4.43Å; I158-F160 HydrophobicContact CB-CE2 4.38Å; I158-F160 HydrophobicContact CG2-CD2 4.05Å; I158-F160 HydrophobicContact CG2-CE1 4.19Å; I158-F160 HydrophobicContact CG2-CE2 3.4Å; I158-F160 VanDerWaalsContact CG2-CE2 3.4Å; I158-F160 HydrophobicContact CG2-CZ 3.49Å; I158-F160 VanDerWaalsContact CG2-CZ 3.49Å; I158-M186 HydrophobicContact CG2-CG 3.75Å; I158-M186 HydrophobicContact CG2-SD 4.07Å; I158-T187 CarbonylContact C-O 3.52Å; I158-T187 WeakPolarHBondContact CA-O 3.08Å; I158-L188 HydrophobicContact CB-CD2 4.31Å; I158-L188 HydrophobicContact CG1-CD2 3.78Å; I158-L188 HydrophobicContact CG2-CD2 4.02Å
159T92.6Very high88.7Confident21 Ų2150.5 Ų50.513%0.12927%0.272CS..EExtended strand (participates in β ladder)trans-121.9121.8171.2-53.80000109.5L136 Y137 M186 T187L136-T159 CarbonylContact O-C 3.57Å; L136-T159 WeakPolarHBondContact O-CA 3.15Å; Y137-T159 HydrophobicContact CD1-CG2 4.1Å; Y137-T159 WeakPolarHBondContact CD1-OG1 3.47Å; Y137-T159 HydrophobicContact CE1-CG2 3.57Å; Y137-T159 WeakPolarHBondContact CE1-OG1 3.42Å; Y137-T159 HydrophobicContact CE2-CG2 4.06Å; T159-M186 CarbonylContact O-C 3.56Å; T159-M186 WeakPolarHBondContact O-CA 3.28Å; T159-T187 PolarHBondContact N-O 3.41Å; T159-T187 PolarHBondContact O-N 2.04Å
160F92.7Very high88.4Confident1 Ų151.5 Ų51.50%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-98.7119.6170-56-89.1000109.2L67 I116 L118 H135 L136 I158 A184 M186 V246L67-F160 HydrophobicContact CD1-CD2 4.35Å; L67-F160 HydrophobicContact CD1-CE2 3.51Å; L67-F160 HydrophobicContact CD1-CZ 3.81Å; I116-F160 HydrophobicContact CG2-CD1 4.25Å; I116-F160 HydrophobicContact CG2-CE1 4.09Å; L118-F160 HydrophobicContact CD2-CB 4.29Å; L118-F160 HydrophobicContact CD2-CD1 4.41Å; L118-F160 HydrophobicContact CD2-CG 4.3Å; H135-F160 VanDerWaalsContact CA-O 3.3Å; H135-F160 WeakPolarHBondContact CA-O 3.21Å; L136-F160 HydrophobicContact CB-CB 4.21Å; L136-F160 HydrophobicContact CB-CD2 4.16Å; L136-F160 PolarHBondContact N-O 2.9Å; L136-F160 PolarHBondContact O-N 2.85Å; I158-F160 HydrophobicContact CB-CE2 4.38Å; I158-F160 HydrophobicContact CG2-CD2 4.05Å; I158-F160 HydrophobicContact CG2-CE1 4.19Å; I158-F160 HydrophobicContact CG2-CE2 3.4Å; I158-F160 VanDerWaalsContact CG2-CE2 3.4Å; I158-F160 HydrophobicContact CG2-CZ 3.49Å; I158-F160 VanDerWaalsContact CG2-CZ 3.49Å; F160-A184 HydrophobicContact CB-CB 4.43Å; F160-M186 HydrophobicContact CD1-CB 3.92Å; F160-M186 HydrophobicContact CD1-CG 4Å; F160-M186 HydrophobicContact CD1-SD 4.47Å; F160-M186 HydrophobicContact CE1-CB 3.97Å; F160-M186 HydrophobicContact CE1-CG 3.66Å; F160-M186 HydrophobicContact CE1-SD 3.59Å; F160-M186 VanDerWaalsContact CE1-SD 3.59Å; F160-M186 HydrophobicContact CZ-CG 4.25Å; F160-M186 HydrophobicContact CZ-SD 3.99Å; F160-V246 HydrophobicContact CE1-CG2 3.87Å; F160-V246 HydrophobicContact CZ-CG2 3.69Å
161T91.6Very high88.3Confident16 Ų1642.5 Ų42.510%0.09823%0.233CC..EExtended strand (participates in β ladder)trans-96.3121.4168.5-54.90000109.6H135 A184 C185 P206H135-T161 PolarHBondContact CD2-OG1 3.29Å; H135-T161 VanDerWaalsContact CD2-OG1 3.26Å; H135-T161 WeakPolarHBondContact NE2-CG2 3.47Å; H135-T161 PolarHBondContact NE2-OG1 3.11Å; T161-A184 WeakPolarHBondContact O-CA 3.19Å; T161-C185 PolarHBondContact N-O 2.77Å; T161-C185 PolarHBondContact O-N 3.44Å; T161-P206 HydrophobicContact CG2-CB 3.5Å; T161-P206 HydrophobicContact CG2-CG 3.41Å; T161-P206 VanDerWaalsContact CG2-CG 3.41Å
162L89.9Confident88Confident1 Ų140.5 Ų40.51%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-84.2139.2-177-55.4-177.8000111.1L118 T134 T164 W166 F182 A184 T208L118-L162 HydrophobicContact CD2-CD2 3.82Å; T134-L162 PolarHBondContact O-N 2.84Å; L162-T164 WeakPolarHBondContact CB-O 3.39Å; L162-T164 PolarHBondContact O-N 3.24Å; L162-W166 HydrophobicContact CD1-CB 3.91Å; L162-F182 HydrophobicContact CD1-CE2 4.37Å; L162-F182 HydrophobicContact CD2-CB 4.28Å; L162-F182 HydrophobicContact CD2-CD2 4Å; L162-F182 HydrophobicContact CD2-CG 4.09Å; L162-A184 HydrophobicContact CD2-CB 4.18Å; L162-T208 PolarHBondContact O-OG1 3.42Å
163P88.1Confident87.6Confident38 Ų3844.9 Ų44.925%0.24725%0.249CC..EExtended strand (participates in β ladder)trans-71.6-11.917831.7-37.4000113.1F182 T208P163-F182 HydrophobicContact CG-CB 4.4Å; P163-F182 HydrophobicContact CG-CD1 4.05Å; P163-T208 VanDerWaalsContact CA-OG1 3.28Å; P163-T208 WeakPolarHBondContact CA-OG1 3.45Å; P163-T208 WeakPolarHBondContact O-CG2 3.14Å; P163-T208 PolarHBondContact O-OG1 2.86Å
164T85.9Confident87.2Confident81 Ų8144.4 Ų44.450%0.49725%0.247SC..EExtended strand (participates in β ladder)trans-150.4150.1173.153.70000108.5L162 W166 F182L162-T164 WeakPolarHBondContact CB-O 3.39Å; L162-T164 PolarHBondContact O-N 3.24Å; T164-W166 PolarHBondContact O-N 3.38Å; T164-F182 WeakPolarHBondContact OG1-CE1 3.4Å
165A85.7Confident86.7Confident52 Ų5242.8 Ų42.843%0.4325%0.248SC..EExtended strand (participates in β ladder)trans-65.6133.6178.500000111N132 V133 T134N132-A165 HydrophobicContact CB-CB 4.32Å; V133-A165 CarbonylContact O-C 3.14Å; V133-A165 VanDerWaalsContact O-CA 3.26Å; V133-A165 WeakPolarHBondContact O-CA 3.13Å; T134-A165 HydrophobicContact CG2-CB 4.1Å
166W87.4Confident86.3Confident13 Ų1341.1 Ų41.15%0.04924%0.24CC..EExtended strand (participates in β ladder)trans-98.3136.9177172.259.1000111V69 L120 N132 V133 L162 T164 F182 A242V69-W166 HydrophobicContact CB-CH2 4.44Å; V69-W166 HydrophobicContact CB-CZ3 4.45Å; V69-W166 HydrophobicContact CG1-CH2 3.95Å; V69-W166 HydrophobicContact CG1-CZ3 3.63Å; L120-W166 HydrophobicContact CB-CZ2 4.42Å; L120-W166 HydrophobicContact CD1-CD2 3.52Å; L120-W166 HydrophobicContact CD1-CE3 3.57Å; L120-W166 HydrophobicContact CD1-CG 4.02Å; L120-W166 HydrophobicContact CD1-CH2 4.21Å; L120-W166 HydrophobicContact CD1-CZ2 4.16Å; L120-W166 HydrophobicContact CD1-CZ3 3.93Å; N132-W166 PolarHBondContact N-O 3.33Å; V133-W166 HydrophobicContact CB-CB 4.36Å; V133-W166 HydrophobicContact CB-CE3 3.95Å; V133-W166 WeakPolarHBondContact CB-O 3.26Å; V133-W166 HydrophobicContact CG1-CE3 4.31Å; V133-W166 HydrophobicContact CG2-CE3 3.79Å; V133-W166 HydrophobicContact CG2-CZ3 4.25Å; V133-W166 WeakPolarHBondContact CG2-O 3.34Å; V133-W166 PolarHBondContact N-O 2.82Å; V133-W166 PolarHBondContact O-N 3.19Å; L162-W166 HydrophobicContact CD1-CB 3.91Å; T164-W166 PolarHBondContact O-N 3.38Å; W166-F182 HydrophobicContact CB-CE2 4.16Å; W166-F182 HydrophobicContact CB-CZ 3.84Å; W166-F182 HydrophobicContact CG-CE2 4.29Å; W166-F182 HydrophobicContact CG-CZ 4.23Å; W166-A242 HydrophobicContact CH2-CB 3.86Å; W166-A242 HydrophobicContact CZ2-CB 4.11Å
167S85.2Confident85.8Confident47 Ų4742.4 Ų42.433%0.32925%0.249SC..  trans-135.2139.8176.6-62.40000110S130 N132S130-S167 CarbonylContact O-C 3.56Å; S130-S167 VanDerWaalsContact O-CA 3.28Å; S130-S167 WeakPolarHBondContact O-CA 3.1Å; N132-S167 PolarHBondContact N-OG 2.79Å; N132-S167 PolarHBondContact OD1-OG 3.12Å
168S81.8Confident85.5Confident5 Ų545.1 Ų45.14%0.03526%0.259CS..  trans-107.915.3-178.853.60000113.7F126 S130 D170 C171 A172F126-S168 VanDerWaalsContact CE1-CB 3.42Å; F126-S168 WeakPolarHBondContact CE1-OG 3.28Å; S130-S168 WeakPolarHBondContact CB-OG 3.16Å; S130-S168 PolarHBondContact N-OG 2.95Å; S130-S168 VanDerWaalsContact N-OG 3.08Å; S130-S168 PolarHBondContact O-N 2.9Å; S130-S168 PolarHBondContact O-OG 3.23Å; S168-D170 VanDerWaalsContact C-N 3.3Å; S168-D170 PolarHBondContact O-N 2.89Å; S168-C171 PolarHBondContact O-N 3.31Å; S168-A172 PolarHBondContact O-N 3.25Å
169D79.9Confident85.3Confident42 Ų4250.2 Ų50.223%0.22528%0.283CS..Hα-helixtrans-55-41.6-177.4-73.9-51.3000113.2R131 C171 A172 L173R131-D169 IonicContact CZ-OD1 3.19Å; R131-D169 IonicContact NE-OD1 2.72Å; R131-D169 PolarHBondContact NE-OD1 2.88Å; R131-D169 IonicContact NE-OD2 3.52Å; R131-D169 IonicContact NH2-OD1 2.87Å; R131-D169 PolarHBondContact NH2-OD1 2.97Å; D169-C171 VanDerWaalsContact C-N 3.35Å; D169-C171 PolarHBondContact O-N 3.03Å; D169-A172 PolarHBondContact O-N 3.27Å; D169-L173 HydrophobicContact CB-CD1 4.4Å; D169-L173 VanDerWaalsContact O-CB 3.24Å; D169-L173 WeakPolarHBondContact O-CB 3.49Å; D169-L173 WeakPolarHBondContact O-CG 3.45Å; D169-L173 PolarHBondContact O-N 3.39Å
170D80.6Confident85.2Confident76 Ų7651.4 Ų51.441%0.40629%0.29SS..Hα-helixtrans-68.9-35.6-177-160.735.9000112.5S168 H174 G175 H176S168-D170 VanDerWaalsContact C-N 3.3Å; S168-D170 PolarHBondContact O-N 2.89Å; D170-H174 CarbonylContact O-C 3.5Å; D170-H174 WeakPolarHBondContact O-CA 3.22Å; D170-H174 WeakPolarHBondContact O-CB 3.33Å; D170-H174 PolarHBondContact O-N 3.17Å; D170-H174 IonicContact OD1-CE1 3.84Å; D170-H174 IonicContact OD1-CG 3.52Å; D170-H174 IonicContact OD1-ND1 2.74Å; D170-H174 PolarHBondContact OD1-ND1 2.76Å; D170-G175 PolarHBondContact O-N 2.84Å; D170-H176 CarbonylContact C-O 3.55Å; D170-H176 PolarHBondContact O-N 3.33Å; D170-H176 IonicContact OD2-CD2 3.81Å; D170-H176 PolarHBondContact OD2-CD2 3.43Å; D170-H176 VanDerWaalsContact OD2-CD2 3.23Å; D170-H176 IonicContact OD2-CG 3.45Å
171C83.3Confident85.2Confident10 Ų1055.7 Ų55.77%0.06832%0.316CS..Hα-helixtrans-71-42173.9176.50000111.7P122 F126 S168 D169 G175 H176 C177P122-C171 HydrophobicContact CB-CB 4.4Å; P122-C171 HydrophobicContact CG-CB 4.39Å; F126-C171 WeakPolarHBondContact CB-SG 3.48Å; S168-C171 PolarHBondContact O-N 3.31Å; D169-C171 VanDerWaalsContact C-N 3.35Å; D169-C171 PolarHBondContact O-N 3.03Å; C171-G175 VanDerWaalsContact O-CA 3.23Å; C171-G175 WeakPolarHBondContact O-CA 3.33Å; C171-G175 PolarHBondContact O-N 3.15Å; C171-G175 VanDerWaalsContact O-N 3.14Å; C171-H176 WeakPolarHBondContact CA-O 3.24Å; C171-H176 WeakPolarHBondContact CB-O 3.43Å; C171-H176 PolarHBondContact N-O 3.32Å; C171-C177 VanDerWaalsContact CA-SG 3.6Å; C171-C177 HydrophobicContact CB-CB 3.88Å; C171-C177 WeakPolarHBondContact CB-SG 3.44Å; C171-C177 WeakPolarHBondContact SG-CB 3.44Å; C171-C177 CovalentContact SG-SG 2.04Å; C171-C177 PolarHBondContact SG-SG 3.33Å
172A79.4Confident85.2Confident26 Ų2655.8 Ų55.822%0.21532%0.315CS..Hα-helixtrans-69.4-41.3179.700000112.9F126 Y129 S168 D169F126-A172 HydrophobicContact CD1-CB 4.34Å; Y129-A172 HydrophobicContact CD1-CB 3.94Å; Y129-A172 HydrophobicContact CE1-CB 3.75Å; S168-A172 PolarHBondContact O-N 3.25Å; D169-A172 PolarHBondContact O-N 3.27Å
173L80.3Confident85.3Confident101 Ų10160.5 Ų60.553%0.52934%0.344SS..Hα-helixtrans-90.9-41.7-173.4-65.2170.7000113.3Y129 D169Y129-L173 HydrophobicContact CE1-CD2 4.33Å; D169-L173 HydrophobicContact CB-CD1 4.4Å; D169-L173 VanDerWaalsContact O-CB 3.24Å; D169-L173 WeakPolarHBondContact O-CB 3.49Å; D169-L173 WeakPolarHBondContact O-CG 3.45Å; D169-L173 PolarHBondContact O-N 3.39Å
174H81.4Confident85.5Confident141 Ų14158.8 Ų58.865%0.65333%0.333SS*.Hα-helixtrans-109.2-4.7-173.9-52.4113.1000113D170 H176D170-H174 CarbonylContact O-C 3.5Å; D170-H174 WeakPolarHBondContact O-CA 3.22Å; D170-H174 WeakPolarHBondContact O-CB 3.33Å; D170-H174 PolarHBondContact O-N 3.17Å; D170-H174 IonicContact OD1-CE1 3.84Å; D170-H174 IonicContact OD1-CG 3.52Å; D170-H174 IonicContact OD1-ND1 2.74Å; D170-H174 PolarHBondContact OD1-ND1 2.76Å; H174-H176 PolarHBondContact O-N 3.39Å
175G79.4Confident85.8Confident32 Ų3255.3 Ų55.333%0.3331%0.312SS..  trans67.116.8-176.200000113K124 D170 C171 C177K124-G175 WeakPolarHBondContact CE-O 3.31Å; K124-G175 PolarHBondContact NZ-O 3.2Å; D170-G175 PolarHBondContact O-N 2.84Å; C171-G175 VanDerWaalsContact O-CA 3.23Å; C171-G175 WeakPolarHBondContact O-CA 3.33Å; C171-G175 PolarHBondContact O-N 3.15Å; C171-G175 VanDerWaalsContact O-N 3.14Å; G175-C177 PolarHBondContact O-N 3.45Å
176H84.2Confident86.2Confident91 Ų9152.8 Ų52.842%0.42129%0.292SS..  trans-9296.6174.4-171.261.4000108.9D170 C171 H174 E178D170-H176 CarbonylContact C-O 3.55Å; D170-H176 PolarHBondContact O-N 3.33Å; D170-H176 IonicContact OD2-CD2 3.81Å; D170-H176 PolarHBondContact OD2-CD2 3.43Å; D170-H176 VanDerWaalsContact OD2-CD2 3.23Å; D170-H176 IonicContact OD2-CG 3.45Å; C171-H176 WeakPolarHBondContact CA-O 3.24Å; C171-H176 WeakPolarHBondContact CB-O 3.43Å; C171-H176 PolarHBondContact N-O 3.32Å; H174-H176 PolarHBondContact O-N 3.39Å; H176-E178 IonicContact CE1-OE1 3.79Å; H176-E178 PolarHBondContact CE1-OE1 3.22Å; H176-E178 VanDerWaalsContact CE1-OE1 3.26Å; H176-E178 WeakPolarHBondContact NE2-CG 3.43Å; H176-E178 IonicContact NE2-OE1 3.23Å; H176-E178 PolarHBondContact NE2-OE1 3.46Å; H176-E178 IonicContact NE2-OE2 3.26Å
177C84.9Confident86.5Confident27 Ų2753.9 Ų53.918%0.18230%0.3CS..  trans-110.397.8-173.8-550000107.6P122 K124 C171 G175P122-C177 HydrophobicContact CB-CB 4.46Å; P122-C177 HydrophobicContact CG-CB 3.99Å; P122-C177 WeakPolarHBondContact O-CB 3.41Å; K124-C177 VanDerWaalsContact CE-SG 3.6Å; K124-C177 HydrophobicContact CG-CB 4.37Å; C171-C177 VanDerWaalsContact CA-SG 3.6Å; C171-C177 HydrophobicContact CB-CB 3.88Å; C171-C177 WeakPolarHBondContact CB-SG 3.44Å; C171-C177 WeakPolarHBondContact SG-CB 3.44Å; C171-C177 CovalentContact SG-SG 2.04Å; C171-C177 PolarHBondContact SG-SG 3.33Å; G175-C177 PolarHBondContact O-N 3.45Å
178E87Confident86.9Confident126 Ų12651.7 Ų51.759%0.58928%0.284SS*.  trans-103.4145.4174.3-66.2-164.2151.900110.6P122 H176P122-E178 WeakPolarHBondContact CD-O 3.42Å; H176-E178 IonicContact CE1-OE1 3.79Å; H176-E178 PolarHBondContact CE1-OE1 3.22Å; H176-E178 VanDerWaalsContact CE1-OE1 3.26Å; H176-E178 WeakPolarHBondContact NE2-CG 3.43Å; H176-E178 IonicContact NE2-OE1 3.23Å; H176-E178 PolarHBondContact NE2-OE1 3.46Å; H176-E178 IonicContact NE2-OE2 3.26Å
179Q90Very high87.5Confident107 Ų10753 Ų5350%0.529%0.292SS..  trans-70.9133.5173.1-175.1-177.934.700109.6L120 D121L120-Q179 WeakPolarHBondContact O-CA 3.48Å; D121-Q179 HydrophobicContact CB-CG 4.29Å
180V90.9Very high88.1Confident46 Ų4651.1 Ų51.128%0.27928%0.283SS..EExtended strand (participates in β ladder)trans-111.9148.8174.8-64.10000110.8T119 L120 F182T119-V180 CarbonylContact C-O 3.57Å; T119-V180 VanDerWaalsContact CA-O 3.28Å; T119-V180 WeakPolarHBondContact CA-O 3.48Å; L120-V180 HydrophobicContact CB-CG2 3.76Å; L120-V180 HydrophobicContact CD1-CG2 4.45Å; L120-V180 HydrophobicContact CG-CG2 4.45Å; L120-V180 PolarHBondContact N-O 2.71Å; L120-V180 PolarHBondContact O-N 3.29Å; V180-F182 HydrophobicContact CB-CE2 4.2Å; V180-F182 HydrophobicContact CB-CZ 4.33Å; V180-F182 HydrophobicContact CG2-CD2 4.46Å; V180-F182 HydrophobicContact CG2-CE2 3.58Å; V180-F182 HydrophobicContact CG2-CZ 4.03Å
181V93.4Very high88.6Confident92 Ų9249.4 Ų49.456%0.55828%0.276SS*.EExtended strand (participates in β ladder)trans-126.6129.7-177.4-174.50000109.6T117 T119T117-V181 HydrophobicContact CG2-CG1 3.74Å; T119-V181 HydrophobicContact CG2-CG1 4.21Å; T119-V181 HydrophobicContact CG2-CG2 3.98Å
182F91.1Very high88.7Confident18 Ų1851.3 Ų51.38%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-122.2142.3178.3-61.7-71.4000110.7T117 L118 L120 L162 P163 T164 W166 V180 A184T117-F182 CarbonylContact C-O 3.56Å; T117-F182 WeakPolarHBondContact CA-O 3.18Å; L118-F182 PolarHBondContact N-O 2.85Å; L118-F182 PolarHBondContact O-N 3.25Å; L120-F182 HydrophobicContact CD1-CD2 4.37Å; L120-F182 HydrophobicContact CD1-CE2 3.91Å; L120-F182 HydrophobicContact CG-CE2 4.45Å; L162-F182 HydrophobicContact CD1-CE2 4.37Å; L162-F182 HydrophobicContact CD2-CB 4.28Å; L162-F182 HydrophobicContact CD2-CD2 4Å; L162-F182 HydrophobicContact CD2-CG 4.09Å; P163-F182 HydrophobicContact CG-CB 4.4Å; P163-F182 HydrophobicContact CG-CD1 4.05Å; T164-F182 WeakPolarHBondContact OG1-CE1 3.4Å; W166-F182 HydrophobicContact CB-CE2 4.16Å; W166-F182 HydrophobicContact CB-CZ 3.84Å; W166-F182 HydrophobicContact CG-CE2 4.29Å; W166-F182 HydrophobicContact CG-CZ 4.23Å; V180-F182 HydrophobicContact CB-CE2 4.2Å; V180-F182 HydrophobicContact CB-CZ 4.33Å; V180-F182 HydrophobicContact CG2-CD2 4.46Å; V180-F182 HydrophobicContact CG2-CE2 3.58Å; V180-F182 HydrophobicContact CG2-CZ 4.03Å; F182-A184 PolarHBondContact O-N 3.36Å
183T91.9Very high88.9Confident100 Ų10052.5 Ų52.561%0.61330%0.304SS*.EExtended strand (participates in β ladder)trans-89.291.9156.5-53.70000107I116I116-T183 CarbonylContact O-C 3.57Å
184A91.8Very high89.3Confident2 Ų248 Ų482%0.01728%0.28CS..EExtended strand (participates in β ladder)trans-91.6152.3-175.200000111.2I116 L118 F160 T161 L162 F182I116-A184 PolarHBondContact N-O 3.48Å; I116-A184 PolarHBondContact O-N 3.49Å; L118-A184 HydrophobicContact CB-CB 4.23Å; F160-A184 HydrophobicContact CB-CB 4.43Å; T161-A184 WeakPolarHBondContact O-CA 3.19Å; L162-A184 HydrophobicContact CD2-CB 4.18Å; F182-A184 PolarHBondContact O-N 3.36Å
185C92.6Very high89.7Confident7 Ų742.2 Ų42.25%0.04725%0.253CS..EExtended strand (participates in β ladder)trans-90.1109.3168.1-172.90000108.6T161 C204 P206T161-C185 PolarHBondContact N-O 2.77Å; T161-C185 PolarHBondContact O-N 3.44Å; C185-C204 WeakPolarHBondContact CA-SG 3.16Å; C185-C204 HydrophobicContact CB-CB 3.93Å; C185-C204 WeakPolarHBondContact CB-SG 3.23Å; C185-C204 WeakPolarHBondContact SG-CB 3.4Å; C185-C204 PolarHBondContact SG-O 3.36Å; C185-C204 CovalentContact SG-SG 2.04Å; C185-C204 PolarHBondContact SG-SG 3.19Å; C185-P206 HydrophobicContact CB-CB 3.98Å; C185-P206 HydrophobicContact CB-CG 4.21Å
186M93.6Very high90Very high0 Ų041.1 Ų41.10%024%0.24CC..EExtended strand (participates in β ladder)trans-92.2119.8179.4-179.9179.471.400109.7L59 F62 S113 V114 I116 I158 T159 F160 L188L59-M186 HydrophobicContact CD2-CE 3.73Å; F62-M186 HydrophobicContact CD1-SD 4.41Å; S113-M186 CarbonylContact C-O 3.48Å; S113-M186 VanDerWaalsContact CA-O 3.3Å; S113-M186 WeakPolarHBondContact CA-O 2.87Å; V114-M186 PolarHBondContact N-O 2.94Å; V114-M186 PolarHBondContact O-N 2.89Å; I116-M186 HydrophobicContact CB-CB 4.42Å; I116-M186 HydrophobicContact CD1-CE 3.66Å; I116-M186 HydrophobicContact CD1-SD 4.09Å; I116-M186 HydrophobicContact CG2-CB 3.62Å; I116-M186 HydrophobicContact CG2-CG 4.48Å; I116-M186 HydrophobicContact CG2-SD 4.24Å; I158-M186 HydrophobicContact CG2-CG 3.75Å; I158-M186 HydrophobicContact CG2-SD 4.07Å; T159-M186 CarbonylContact O-C 3.56Å; T159-M186 WeakPolarHBondContact O-CA 3.28Å; F160-M186 HydrophobicContact CD1-CB 3.92Å; F160-M186 HydrophobicContact CD1-CG 4Å; F160-M186 HydrophobicContact CD1-SD 4.47Å; F160-M186 HydrophobicContact CE1-CB 3.97Å; F160-M186 HydrophobicContact CE1-CG 3.66Å; F160-M186 HydrophobicContact CE1-SD 3.59Å; F160-M186 VanDerWaalsContact CE1-SD 3.59Å; F160-M186 HydrophobicContact CZ-CG 4.25Å; F160-M186 HydrophobicContact CZ-SD 3.99Å; M186-L188 HydrophobicContact CE-CD1 4.07Å; M186-L188 HydrophobicContact CE-CD2 4.13Å; M186-L188 HydrophobicContact CE-CG 4.16Å; M186-L188 HydrophobicContact CG-CD2 4.11Å; M186-L188 HydrophobicContact CG-CG 4.46Å; M186-L188 HydrophobicContact SD-CD2 4.07Å
187T93.1Very high89.9Confident36 Ų3643 Ų4322%0.22126%0.258CS..EExtended strand (participates in β ladder)trans-104.3123.5174.5-54.40000109.4N111 I112 I158 T159N111-T187 HydrophobicContact CB-CG2 4.46Å; I112-T187 CarbonylContact O-C 3.59Å; I112-T187 WeakPolarHBondContact O-CA 3.46Å; I158-T187 CarbonylContact C-O 3.52Å; I158-T187 WeakPolarHBondContact CA-O 3.08Å; T159-T187 PolarHBondContact N-O 3.41Å; T159-T187 PolarHBondContact O-N 2.04Å
188L94.1Very high89.5Confident0 Ų042.9 Ų42.90%026%0.256CS..EExtended strand (participates in β ladder)trans-105.6128.1176.3-58.3176.3000109F58 F62 N111 I112 I156 N157 I158 M186 F195F58-L188 HydrophobicContact CE1-CD1 3.72Å; F58-L188 HydrophobicContact CZ-CD1 4.32Å; F62-L188 HydrophobicContact CE1-CD2 3.85Å; F62-L188 HydrophobicContact CE2-CD1 4.38Å; F62-L188 HydrophobicContact CZ-CD1 3.98Å; F62-L188 HydrophobicContact CZ-CD2 3.9Å; N111-L188 CarbonylContact C-O 3.54Å; N111-L188 WeakPolarHBondContact CA-O 3.36Å; I112-L188 PolarHBondContact N-O 3.45Å; I112-L188 PolarHBondContact O-N 3.06Å; I156-L188 HydrophobicContact CG2-CD2 4.3Å; N157-L188 CarbonylContact O-C 3.57Å; N157-L188 WeakPolarHBondContact O-CA 3.37Å; I158-L188 HydrophobicContact CB-CD2 4.31Å; I158-L188 HydrophobicContact CG1-CD2 3.78Å; I158-L188 HydrophobicContact CG2-CD2 4.02Å; M186-L188 HydrophobicContact CE-CD1 4.07Å; M186-L188 HydrophobicContact CE-CD2 4.13Å; M186-L188 HydrophobicContact CE-CG 4.16Å; M186-L188 HydrophobicContact CG-CD2 4.11Å; M186-L188 HydrophobicContact CG-CG 4.46Å; M186-L188 HydrophobicContact SD-CD2 4.07Å; L188-F195 HydrophobicContact CB-CE1 3.8Å; L188-F195 HydrophobicContact CB-CZ 4.13Å; L188-F195 HydrophobicContact CD1-CE1 4.26Å
189T93.8Very high89Confident32 Ų3241.7 Ų41.720%0.19626%0.257CS..EExtended strand (participates in β ladder)trans-122.4114.6177-62.40000109P109 V110 N111 N157P109-T189 HydrophobicContact CB-CG2 3.96Å; V110-T189 WeakPolarHBondContact O-CA 3.49Å; N111-T189 WeakPolarHBondContact OD1-CB 3.26Å; N111-T189 WeakPolarHBondContact OD1-CG2 3.37Å; N111-T189 PolarHBondContact OD1-OG1 2.82Å; N157-T189 PolarHBondContact N-O 3.21Å; N157-T189 PolarHBondContact O-N 3.37Å
190A93.1Very high88.6Confident4 Ų441.4 Ų41.43%0.03326%0.256CS..EExtended strand (participates in β ladder)trans-157.6175-179.200000111.7P109 V110 I156 V194 F195P109-A190 WeakPolarHBondContact CA-O 3.39Å; V110-A190 PolarHBondContact N-O 3.28Å; V110-A190 PolarHBondContact O-N 3.45Å; I156-A190 HydrophobicContact CB-CB 4.37Å; I156-A190 HydrophobicContact CG1-CB 4.04Å; I156-A190 HydrophobicContact CG2-CB 4.22Å; A190-V194 HydrophobicContact CB-CB 4.04Å; A190-V194 HydrophobicContact CB-CG1 4.08Å; A190-V194 HydrophobicContact CB-CG2 4.13Å; A190-F195 HydrophobicContact CB-CE2 3.95Å; A190-F195 HydrophobicContact CB-CZ 3.83Å
191S91.1Very high88.3Confident39 Ų3939.4 Ų39.427%0.27324%0.244SC..  trans-58142.9169.7176.30000111.3G193 V194S191-G193 PolarHBondContact O-N 2.76Å; S191-V194 WeakPolarHBondContact O-CB 3.34Å; S191-V194 PolarHBondContact O-N 2.92Å
192P86.1Confident87.9Confident51 Ų5139.5 Ų39.533%0.33125%0.247SC..G310 helixtrans-52.1-32.1179.7-19.722.3000114.4S107 V110 V194 F195S107-P192 WeakPolarHBondContact O-CD 3.3Å; V110-P192 HydrophobicContact CG2-CB 4.18Å; V110-P192 HydrophobicContact CG2-CG 3.72Å; P192-V194 PolarHBondContact O-N 3.03Å; P192-F195 PolarHBondContact O-N 2.89Å
193G83.7Confident87.7Confident51 Ų5144.2 Ų44.253%0.52627%0.269SS..G310 helixtrans-67.6-16.7-178.900000114.8S191S191-G193 PolarHBondContact O-N 2.76Å
194V88.2Confident87.5Confident7 Ų740.5 Ų40.54%0.04225%0.246CC..G310 helixtrans-74.8-28.9176.2171.50000111.6F58 L147 E154 I156 A190 S191 P192F58-V194 HydrophobicContact CE2-CG1 4.42Å; F58-V194 HydrophobicContact CZ-CG1 4.47Å; L147-V194 HydrophobicContact CD1-CG1 3.77Å; E154-V194 HydrophobicContact CB-CG2 3.77Å; E154-V194 HydrophobicContact CG-CG2 4.06Å; I156-V194 HydrophobicContact CD1-CG1 3.57Å; I156-V194 HydrophobicContact CG1-CG1 3.99Å; A190-V194 HydrophobicContact CB-CB 4.04Å; A190-V194 HydrophobicContact CB-CG1 4.08Å; A190-V194 HydrophobicContact CB-CG2 4.13Å; S191-V194 WeakPolarHBondContact O-CB 3.34Å; S191-V194 PolarHBondContact O-N 2.92Å; P192-V194 PolarHBondContact O-N 3.03Å
195F89.1Confident86.9Confident18 Ų1846.1 Ų46.18%0.07928%0.281CS..SBendtrans-89.7143.6-171.4-61.4-67.7000112.4W55 F58 V110 I112 L188 A190 P192 V197W55-F195 HydrophobicContact CH2-CB 4.14Å; W55-F195 AromaticContact CH2-CD1 3.6Å; W55-F195 HydrophobicContact CH2-CD1 3.6Å; W55-F195 HydrophobicContact CH2-CE1 4.4Å; W55-F195 HydrophobicContact CH2-CG 4.18Å; W55-F195 HydrophobicContact CZ2-CB 4.14Å; W55-F195 HydrophobicContact CZ2-CD1 4.42Å; W55-F195 HydrophobicContact CZ3-CD1 4.31Å; F58-F195 HydrophobicContact CE1-CD1 4.41Å; F58-F195 HydrophobicContact CZ-CD1 4.33Å; V110-F195 HydrophobicContact CB-CD2 4.44Å; V110-F195 HydrophobicContact CB-CE2 4.08Å; I112-F195 HydrophobicContact CB-CE1 4.35Å; I112-F195 HydrophobicContact CG1-CD1 4.17Å; I112-F195 HydrophobicContact CG1-CD2 4.45Å; I112-F195 HydrophobicContact CG1-CE1 4.08Å; I112-F195 HydrophobicContact CG1-CE2 4.36Å; I112-F195 HydrophobicContact CG1-CG 4.34Å; I112-F195 HydrophobicContact CG1-CZ 4.17Å; L188-F195 HydrophobicContact CB-CE1 3.8Å; L188-F195 HydrophobicContact CB-CZ 4.13Å; L188-F195 HydrophobicContact CD1-CE1 4.26Å; A190-F195 HydrophobicContact CB-CE2 3.95Å; A190-F195 HydrophobicContact CB-CZ 3.83Å; P192-F195 PolarHBondContact O-N 2.89Å; F195-V197 PolarHBondContact O-N 2.84Å
196P86.8Confident85.8Confident9 Ų947.8 Ų47.86%0.05829%0.291CS..  trans-49.6129.1165-3441.1000113.1E53 W55 F58 T198E53-P196 WeakPolarHBondContact O-CB 3.15Å; E53-P196 WeakPolarHBondContact O-CG 3.31Å; W55-P196 HydrophobicContact CD2-CB 4.06Å; W55-P196 HydrophobicContact CD2-CG 4.04Å; W55-P196 HydrophobicContact CE3-CG 4.4Å; W55-P196 HydrophobicContact CG-CB 4.02Å; W55-P196 HydrophobicContact CG-CG 4.24Å; W55-P196 HydrophobicContact CZ2-CB 4.47Å; W55-P196 PolarHBondContact NE1-O 2.8Å; F58-P196 HydrophobicContact CB-CG 3.62Å; F58-P196 HydrophobicContact CD1-CG 4.3Å; F58-P196 HydrophobicContact CD2-CG 4.27Å; F58-P196 HydrophobicContact CG-CG 3.82Å; P196-T198 PolarHBondContact O-N 2.79Å
197V80.9Confident84.4Confident130 Ų13055.5 Ų55.579%0.78833%0.333SS*.SBendtrans-76.64.6172.6-60.80000113.3A52 F195A52-V197 HydrophobicContact CB-CG2 3.5Å; A52-V197 VanDerWaalsContact CB-CG2 3.5Å; F195-V197 PolarHBondContact O-N 2.84Å
198T76.1Confident82.7Confident25 Ų2555.8 Ų55.815%0.15333%0.334CS..SBendtrans-83176.1-179.560.70000111.6W55 P196 Q200 V256W55-T198 VanDerWaalsContact CD1-OG1 3.27Å; W55-T198 PolarHBondContact NE1-O 2.74Å; P196-T198 PolarHBondContact O-N 2.79Å; T198-Q200 PolarHBondContact O-N 3.27Å; T198-Q200 VanDerWaalsContact O-N 3.07Å; T198-V256 HydrophobicContact CG2-CG2 3.5Å
199V77.8Confident80.8Confident101 Ų10164.5 Ų64.561%0.61237%0.369SS*.PPolyproline II helixtrans-53.6117-176.9-178.50000110.8
200Q82.2Confident78.7Confident101 Ų10168.7 Ų68.747%0.47240%0.399SS..PPolyproline II helixtrans-65.3145.5-176.4-68.7-177.54.300112W55 T198W55-Q200 HydrophobicContact CZ2-CG 4.13Å; T198-Q200 PolarHBondContact O-N 3.27Å; T198-Q200 VanDerWaalsContact O-N 3.07Å
201P84.4Confident76.6Confident4 Ų475.3 Ų75.33%0.02643%0.434CS..PPolyproline II helixtrans-59.4151.4172.724.2-33.3000111.6W55 I112 V114 H203 L254W55-P201 HydrophobicContact CD2-CG 4.09Å; W55-P201 HydrophobicContact CE3-CG 3.94Å; W55-P201 HydrophobicContact CZ3-CG 4.27Å; I112-P201 HydrophobicContact CG2-CG 4.25Å; V114-P201 HydrophobicContact CB-CG 4.38Å; V114-P201 HydrophobicContact CG1-CB 3.95Å; V114-P201 HydrophobicContact CG1-CG 4.21Å; V114-P201 HydrophobicContact CG2-CB 4Å; V114-P201 HydrophobicContact CG2-CG 3.36Å; P201-H203 PolarHBondContact O-N 2.94Å; P201-L254 HydrophobicContact CB-CD1 3.86Å; P201-L254 HydrophobicContact CB-CD2 4.26Å
202P84.9Confident74.7Confident94 Ų9475.1 Ų75.161%0.6143%0.434SS*.PPolyproline II helixtrans-59.8128.1173.126.1-32.9000109.5C204P202-C204 PolarHBondContact O-N 3.22Å
203H85.7Confident73Confident117 Ų11779.6 Ų79.654%0.54246%0.461SS..PPolyproline II helixtrans-58.4126.3175.7-75.7-82.3000110.3S113 P201S113-H203 WeakPolarHBondContact OG-CA 3.37Å; S113-H203 WeakPolarHBondContact OG-CB 3.4Å; S113-H203 PolarHBondContact OG-ND1 2.69Å; P201-H203 PolarHBondContact O-N 2.94Å
204C87.9Confident71.7Confident22 Ų2284.2 Ų84.215%0.14947%0.473CS..PPolyproline II helixtrans-85.8145.7169.756.50000110.4V114 A115 C185 P202V114-C204 PolarHBondContact N-SG 3.27Å; V114-C204 VanDerWaalsContact N-SG 3.41Å; V114-C204 PolarHBondContact O-SG 3.14Å; V114-C204 VanDerWaalsContact O-SG 3.37Å; A115-C204 HydrophobicContact CB-CB 4.08Å; A115-C204 PolarHBondContact N-SG 3.48Å; C185-C204 WeakPolarHBondContact CA-SG 3.16Å; C185-C204 HydrophobicContact CB-CB 3.93Å; C185-C204 WeakPolarHBondContact CB-SG 3.23Å; C185-C204 WeakPolarHBondContact SG-CB 3.4Å; C185-C204 PolarHBondContact SG-O 3.36Å; C185-C204 CovalentContact SG-SG 2.04Å; C185-C204 PolarHBondContact SG-SG 3.19Å; P202-C204 PolarHBondContact O-N 3.22Å
205V79.7Confident70.6Confident121 Ų12190.8 Ų90.873%0.73350%0.497SS*.  trans-118.6120.8162.9-178.40000105D207V205-D207 PolarHBondContact O-N 3.28Å
206P68.6Low69.8Low42 Ų4294.8 Ų94.827%0.27351%0.512SS..  trans-64.7136.6177.625.8-30.3000109.3T161 C185 T208T161-P206 HydrophobicContact CG2-CB 3.5Å; T161-P206 HydrophobicContact CG2-CG 3.41Å; T161-P206 VanDerWaalsContact CG2-CG 3.41Å; C185-P206 HydrophobicContact CB-CB 3.98Å; C185-P206 HydrophobicContact CB-CG 4.21Å; P206-T208 PolarHBondContact O-N 2.04Å
207D64.7Low69.3Low162 Ų16298.7 Ų98.787%0.86653%0.529SS*.SBendtrans-72.515.8-176-74.5-43.3000114.4V205V205-D207 PolarHBondContact O-N 3.28Å
208T58.5Low69.2Low42 Ų4292.8 Ų92.826%0.25849%0.492SS..SBendtrans-122.3122.9-169.2160000116.4L162 P163 P206L162-T208 PolarHBondContact O-OG1 3.42Å; P163-T208 VanDerWaalsContact CA-OG1 3.28Å; P163-T208 WeakPolarHBondContact CA-OG1 3.45Å; P163-T208 WeakPolarHBondContact O-CG2 3.14Å; P163-T208 PolarHBondContact O-OG1 2.86Å; P206-T208 PolarHBondContact O-N 2.04Å
209Y53.4Low69.4Low183 Ų18393.8 Ų93.872%0.71850%0.495SS*.  trans4879.4161.7-76.7-87.4000117.1N211Y209-N211 PolarHBondContact O-N 2.83Å
210S50.7Low69.6Low120 Ų12089.4 Ų89.484%0.83947%0.468SS*.THydrogen-bonded Turntrans-59.5-8.8159.959.80000114.3
211N48.6Very low69.7Low142 Ų14286.7 Ų86.776%0.75946%0.459SS*.THydrogen-bonded Turntrans-122.523.3-173.3-67.3-16.7000113.7Y209 T213Y209-N211 PolarHBondContact O-N 2.83Å; N211-T213 PolarHBondContact O-N 2.74Å
212A49.9Very low69.7Low35 Ų3587.4 Ų87.429%0.28947%0.465SS..  trans-83.2114.4172.700000110.1L214A212-L214 PolarHBondContact O-N 2.8Å
213T50.8Low69.7Low145 Ų14584.9 Ų84.989%0.8944%0.443SS*.SBendtrans-70.5-15.3174.235.10000113.3N211N211-T213 PolarHBondContact O-N 2.74Å
214L56.6Low69.4Low149 Ų14981.6 Ų81.678%0.7843%0.43SS*.SBendtrans-141.9124.2174.7-123.3100.9000110.1A212A212-L214 PolarHBondContact O-N 2.8Å
215W64.7Low68.5Low144 Ų14482.2 Ų82.255%0.54544%0.436SS..  trans-90.5124.6168.2-56.3-71.2000109.2H135 K217H135-W215 AromaticContact CE1-CD1 3.41Å; H135-W215 VanDerWaalsContact CE1-CD1 3.41Å; H135-W215 AromaticContact CE1-CG 3.92Å; H135-W215 AromaticContact ND1-CD1 3.84Å; W215-K217 HydrophobicContact CB-CG 4.21Å; W215-K217 PolarHBondContact O-N 2.83Å
216Y72.3Confident68Low102 Ų10281.6 Ų81.640%0.443%0.429SS..  trans-80.8104.4170.5-156.1-96.3000109.1R131 N132 V133 T134 H135 I218R131-Y216 WeakPolarHBondContact O-CD1 3.34Å; N132-Y216 VanDerWaalsContact O-CB 3.28Å; N132-Y216 WeakPolarHBondContact O-CB 3.44Å; V133-Y216 HydrophobicContact CB-CD1 4.46Å; V133-Y216 HydrophobicContact CG2-CD1 4Å; V133-Y216 HydrophobicContact CG2-CE1 4.31Å; T134-Y216 PolarHBondContact N-O 3.03Å; T134-Y216 VanDerWaalsContact N-O 3.14Å; T134-Y216 PolarHBondContact OG1-N 2.78Å; T134-Y216 PolarHBondContact OG1-O 2.96Å; H135-Y216 PolarHBondContact N-O 2.99Å; Y216-I218 HydrophobicContact CD1-CD1 4.38Å; Y216-I218 HydrophobicContact CD1-CG1 4.09Å; Y216-I218 HydrophobicContact CE1-CD1 4.02Å; Y216-I218 HydrophobicContact CE1-CG1 3.93Å
217K76.3Confident68Low92 Ų9281.4 Ų81.440%0.443%0.427SS..EExtended strand (participates in β ladder)trans-101128.2-176.5-57.2-172.8169.4-169.50109.4H135 Y137 W215H135-K217 HydrophobicContact CB-CG 4.23Å; H135-K217 WeakPolarHBondContact O-CA 3.37Å; Y137-K217 HydrophobicContact CD2-CB 3.87Å; Y137-K217 HydrophobicContact CD2-CD 4.17Å; Y137-K217 HydrophobicContact CD2-CG 4.2Å; Y137-K217 HydrophobicContact CE2-CB 3.73Å; Y137-K217 HydrophobicContact CE2-CD 3.34Å; Y137-K217 HydrophobicContact CE2-CG 3.52Å; Y137-K217 WeakPolarHBondContact OH-CE 3.09Å; Y137-K217 PolarHBondContact OH-NZ 2.84Å; W215-K217 HydrophobicContact CB-CG 4.21Å; W215-K217 PolarHBondContact O-N 2.83Å
218I80.1Confident67.7Low5 Ų579.7 Ų79.73%0.02641%0.412CS..EExtended strand (participates in β ladder)trans-116.6128.8172.3-66.2-170.5000109.4V69 T74 S130 V133 H135 L136 Y137 Y216 T220V69-I218 HydrophobicContact CG1-CD1 4.31Å; V69-I218 HydrophobicContact CG1-CG2 3.68Å; T74-I218 HydrophobicContact CG2-CB 3.98Å; T74-I218 HydrophobicContact CG2-CG1 4.09Å; T74-I218 HydrophobicContact CG2-CG2 3.61Å; S130-I218 WeakPolarHBondContact OG-CD1 3.38Å; V133-I218 HydrophobicContact CB-CD1 4.28Å; V133-I218 HydrophobicContact CG1-CB 4.31Å; V133-I218 HydrophobicContact CG1-CD1 3.93Å; V133-I218 HydrophobicContact CG1-CG1 3.98Å; V133-I218 HydrophobicContact CG2-CD1 3.32Å; V133-I218 HydrophobicContact CG2-CG1 4.1Å; H135-I218 PolarHBondContact O-N 2.95Å; L136-I218 CarbonylContact C-O 3.52Å; L136-I218 WeakPolarHBondContact CA-O 3.25Å; L136-I218 HydrophobicContact CD2-CB 3.94Å; L136-I218 HydrophobicContact CD2-CG2 4.28Å; Y137-I218 PolarHBondContact N-O 3.2Å; Y216-I218 HydrophobicContact CD1-CD1 4.38Å; Y216-I218 HydrophobicContact CD1-CG1 4.09Å; Y216-I218 HydrophobicContact CE1-CD1 4.02Å; Y216-I218 HydrophobicContact CE1-CG1 3.93Å; I218-T220 HydrophobicContact CG2-CG2 4.3Å
219F80.6Confident67.6Low46 Ų4687.6 Ų87.620%0.20244%0.438CS..EExtended strand (participates in β ladder)trans-80.6136.5170.3-66.2-88.3000110.1E73 H77 Y137E73-F219 HydrophobicContact CB-CB 4.43Å; H77-F219 HydrophobicContact CB-CD1 4.01Å; H77-F219 HydrophobicContact CB-CD2 3.46Å; H77-F219 VanDerWaalsContact CB-CD2 3.46Å; H77-F219 HydrophobicContact CB-CE1 4.05Å; H77-F219 HydrophobicContact CB-CE2 3.5Å; H77-F219 VanDerWaalsContact CB-CE2 3.5Å; H77-F219 HydrophobicContact CB-CG 3.72Å; H77-F219 HydrophobicContact CB-CZ 3.79Å; H77-F219 AromaticContact CD2-CD1 3.45Å; H77-F219 VanDerWaalsContact CD2-CD1 3.45Å; H77-F219 WeakPolarHBondContact CD2-CD1 3.36Å; H77-F219 AromaticContact CD2-CE1 3.49Å; H77-F219 VanDerWaalsContact CD2-CE1 3.49Å; H77-F219 WeakPolarHBondContact CD2-CE1 3.45Å; H77-F219 AromaticContact CD2-CG 3.98Å; H77-F219 AromaticContact CE1-CE1 3.49Å; H77-F219 VanDerWaalsContact CE1-CE1 3.49Å; H77-F219 WeakPolarHBondContact CE1-CE1 3.41Å; H77-F219 AromaticContact CE1-CZ 3.79Å; H77-F219 AromaticContact CG-CD1 3.57Å; H77-F219 AromaticContact CG-CD2 3.89Å; H77-F219 AromaticContact CG-CE1 3.35Å; H77-F219 AromaticContact CG-CE2 3.69Å; H77-F219 AromaticContact CG-CG 3.83Å; H77-F219 AromaticContact CG-CZ 3.41Å; H77-F219 VanDerWaalsContact CG-CZ 3.41Å; H77-F219 AromaticContact ND1-CE1 3.37Å; H77-F219 WeakPolarHBondContact ND1-CE1 3.43Å; H77-F219 AromaticContact ND1-CE2 3.87Å; H77-F219 AromaticContact ND1-CZ 3.24Å; H77-F219 WeakPolarHBondContact ND1-CZ 3.31Å; H77-F219 AromaticContact NE2-CD1 3.91Å; H77-F219 AromaticContact NE2-CE1 3.59Å; Y137-F219 HydrophobicContact CG-CE1 4.47Å; Y137-F219 CarbonylContact O-C 3.54Å; Y137-F219 WeakPolarHBondContact O-CA 3.3Å
220T81.3Confident68.1Low9 Ų981.1 Ų81.16%0.05542%0.423CS..EExtended strand (participates in β ladder)trans-128.6140.6-174.765.60000109.3C68 V69 L136 Y137 S138 I218C68-T220 WeakPolarHBondContact O-CA 2.96Å; C68-T220 VanDerWaalsContact O-CB 3.31Å; C68-T220 WeakPolarHBondContact O-CB 3.48Å; V69-T220 HydrophobicContact CB-CG2 4.32Å; V69-T220 HydrophobicContact CG2-CG2 3.78Å; L136-T220 HydrophobicContact CB-CG2 4.17Å; L136-T220 HydrophobicContact CD2-CG2 4.13Å; Y137-T220 PolarHBondContact O-N 3.12Å; Y137-T220 PolarHBondContact O-OG1 3.4Å; S138-T220 VanDerWaalsContact CB-OG1 3.31Å; S138-T220 WeakPolarHBondContact CB-OG1 3.3Å; S138-T220 PolarHBondContact OG-O 3.02Å; S138-T220 PolarHBondContact OG-OG1 2.96Å; I218-T220 HydrophobicContact CG2-CG2 4.3Å
221T84.3Confident68.4Low45 Ų4585 Ų8528%0.27643%0.427SS..EExtended strand (participates in β ladder)trans-94.5127.9175.243.70000109.4L67 C68 E73L67-T221 CarbonylContact C-O 3.54Å; L67-T221 WeakPolarHBondContact CA-O 3.33Å; C68-T221 PolarHBondContact N-O 2.98Å; C68-T221 PolarHBondContact O-N 3.15Å; C68-T221 VanDerWaalsContact O-N 3.14Å; E73-T221 HydrophobicContact CG-CG2 3.68Å
222A84.4Confident69.1Low18 Ų1885.5 Ų85.515%0.14943%0.43CS..EExtended strand (participates in β ladder)trans-95.6149.1175.500000111.3D66 L67 I140D66-A222 CarbonylContact O-C 3.53Å; D66-A222 WeakPolarHBondContact O-CA 3.33Å; L67-A222 HydrophobicContact CD2-CB 3.58Å; I140-A222 HydrophobicContact CG2-CB 3.33Å
223R83.7Confident69.9Low41 Ų4188 Ų8816%0.15543%0.433CS..EExtended strand (participates in β ladder)trans-143.1145.8176.9-174.4-177.9176.6176.53.9110L65 D66 A225 T227 N234 W237L65-R223 WeakPolarHBondContact CA-O 3.24Å; D66-R223 PolarHBondContact N-O 3.44Å; D66-R223 PolarHBondContact O-N 2.74Å; R223-A225 PolarHBondContact O-N 3.06Å; R223-T227 PolarHBondContact NE-OG1 2.83Å; R223-T227 PolarHBondContact NH2-OG1 3.05Å; R223-T227 VanDerWaalsContact NH2-OG1 3.09Å; R223-N234 PolarHBondContact NH1-O 3.41Å; R223-W237 HydrophobicContact CB-CE3 4.29Å; R223-W237 HydrophobicContact CB-CH2 4.25Å; R223-W237 HydrophobicContact CB-CZ3 4Å
224D80.3Confident71.1Confident49 Ų4985.1 Ų85.126%0.26241%0.412SS..EExtended strand (participates in β ladder)trans-69.9120.8167.9170.88.5000110.3N226 T227D224-N226 PolarHBondContact O-N 2.82Å; D224-N226 WeakPolarHBondContact OD1-CB 3.5Å; D224-N226 PolarHBondContact OD1-N 2.67Å; D224-N226 PolarHBondContact OD1-ND2 3.19Å; D224-T227 HydrophobicContact CB-CG2 3.85Å; D224-T227 WeakPolarHBondContact O-CB 3.16Å; D224-T227 PolarHBondContact O-N 3.17Å; D224-T227 PolarHBondContact O-OG1 3.35Å
225A68.9Low72Confident34 Ų3481.7 Ų81.728%0.28140%0.398SS..G310 helixtrans-60.1-27.7-179.200000112.8D64 R223 T227D64-A225 WeakPolarHBondContact O-CB 3.46Å; D64-A225 PolarHBondContact O-N 2.97Å; R223-A225 PolarHBondContact O-N 3.06Å; A225-T227 VanDerWaalsContact C-N 3.25Å; A225-T227 PolarHBondContact O-N 3.4Å
226N69.4Low72.6Confident108 Ų10881.4 Ų81.458%0.57840%0.401SS*.G310 helixtrans-77.3-9.5-178.6-64.8-53.2000113.4D224 K228D224-N226 PolarHBondContact O-N 2.82Å; D224-N226 WeakPolarHBondContact OD1-CB 3.5Å; D224-N226 PolarHBondContact OD1-N 2.67Å; D224-N226 PolarHBondContact OD1-ND2 3.19Å; N226-K228 PolarHBondContact O-N 3.08Å
227T68.4Low73.1Confident39 Ų3979.2 Ų79.224%0.23939%0.392CS..G310 helixtrans-72.17.5177.563.10000114R223 D224 A225 Y229 A230R223-T227 PolarHBondContact NE-OG1 2.83Å; R223-T227 PolarHBondContact NH2-OG1 3.05Å; R223-T227 VanDerWaalsContact NH2-OG1 3.09Å; D224-T227 HydrophobicContact CB-CG2 3.85Å; D224-T227 WeakPolarHBondContact O-CB 3.16Å; D224-T227 PolarHBondContact O-N 3.17Å; D224-T227 PolarHBondContact O-OG1 3.35Å; A225-T227 VanDerWaalsContact C-N 3.25Å; A225-T227 PolarHBondContact O-N 3.4Å; T227-Y229 PolarHBondContact O-N 3Å; T227-Y229 VanDerWaalsContact O-N 3.08Å; T227-A230 WeakPolarHBondContact O-CB 3.36Å; T227-A230 PolarHBondContact O-N 3.09Å
228K58.5Low73.5Confident125 Ų12575.1 Ų75.154%0.54338%0.375SS..G310 helixtrans-55.5-24.2177.1-164.1174.2-179.3179.50114.2N226 Y233N226-K228 PolarHBondContact O-N 3.08Å; K228-Y233 VanDerWaalsContact CA-CD2 3.43Å; K228-Y233 HydrophobicContact CB-CD2 4.45Å; K228-Y233 HydrophobicContact CB-CE2 4.16Å; K228-Y233 HydrophobicContact CG-CD2 4.43Å; K228-Y233 HydrophobicContact CG-CE2 3.87Å
229Y57.5Low73.5Confident209 Ų20981 Ų8182%0.8240%0.398SS*.G310 helixtrans-109.56.5-179.4-59-78.4000113.9T227T227-Y229 PolarHBondContact O-N 3Å; T227-Y229 VanDerWaalsContact O-N 3.08Å
230A63.6Low73.5Confident47 Ų4783.3 Ų83.339%0.38841%0.408SS..SBendtrans-72.6148.4175.500000110.7T227 D232 Y233T227-A230 WeakPolarHBondContact O-CB 3.36Å; T227-A230 PolarHBondContact O-N 3.09Å; A230-D232 PolarHBondContact O-N 3.07Å; A230-D232 VanDerWaalsContact O-N 3.14Å; A230-Y233 VanDerWaalsContact O-CB 3.31Å; A230-Y233 WeakPolarHBondContact O-CB 3.4Å; A230-Y233 PolarHBondContact O-N 3.42Å; A230-Y233 VanDerWaalsContact O-N 3.1Å
231Q56.7Low73.8Confident201 Ų20182.9 Ų82.994%0.93941%0.406SS*.THydrogen-bonded Turntrans-59.9-24.4179.8-76.1178.9-35.500113.1
232D62.3Low74Confident152 Ų15280.8 Ų80.881%0.81339%0.392SS*.THydrogen-bonded Turntrans-96.222.9178.7-57.4-43000113.4A230 N234A230-D232 PolarHBondContact O-N 3.07Å; A230-D232 VanDerWaalsContact O-N 3.14Å; D232-N234 PolarHBondContact O-N 3.38Å
233Y68Low74.2Confident89 Ų8981.5 Ų81.535%0.34939%0.393SS..  trans-64.9105.8-179179.4-100.2000111.9K228 A230 P235K228-Y233 VanDerWaalsContact CA-CD2 3.43Å; K228-Y233 HydrophobicContact CB-CD2 4.45Å; K228-Y233 HydrophobicContact CB-CE2 4.16Å; K228-Y233 HydrophobicContact CG-CD2 4.43Å; K228-Y233 HydrophobicContact CG-CE2 3.87Å; A230-Y233 VanDerWaalsContact O-CB 3.31Å; A230-Y233 WeakPolarHBondContact O-CB 3.4Å; A230-Y233 PolarHBondContact O-N 3.42Å; A230-Y233 VanDerWaalsContact O-N 3.1Å; Y233-P235 HydrophobicContact CD1-CB 4.41Å; Y233-P235 HydrophobicContact CE1-CB 3.75Å; Y233-P235 HydrophobicContact CE1-CG 4.5Å; Y233-P235 VanDerWaalsContact O-CD 3.25Å; Y233-P235 WeakPolarHBondContact O-CD 3.32Å
234N76.1Confident74.6Confident83 Ų8379.5 Ų79.544%0.44439%0.386SS..  trans-86.9110.2167.5-175.71000110.3R223 D232 F236 W237R223-N234 PolarHBondContact NH1-O 3.41Å; D232-N234 PolarHBondContact O-N 3.38Å; N234-F236 PolarHBondContact O-N 3.38Å; N234-F236 PolarHBondContact OD1-N 3.14Å; N234-W237 HydrophobicContact CB-CB 4.41Å; N234-W237 PolarHBondContact O-N 3.21Å
235P74.3Confident75.2Confident77 Ų7780.8 Ų80.850%0.539%0.389SS..THydrogen-bonded Turntrans-68.4-17.4176.726-32.3000113.4Y233Y233-P235 HydrophobicContact CD1-CB 4.41Å; Y233-P235 HydrophobicContact CE1-CB 3.75Å; Y233-P235 HydrophobicContact CE1-CG 4.5Å; Y233-P235 VanDerWaalsContact O-CD 3.25Å; Y233-P235 WeakPolarHBondContact O-CD 3.32Å
236F77.6Confident76.3Confident138 Ų13879.3 Ų79.361%0.60538%0.376SS*.THydrogen-bonded Turntrans-102.217.5-178.2-59.2-70.6000112.9N234 C238 Y239N234-F236 PolarHBondContact O-N 3.38Å; N234-F236 PolarHBondContact OD1-N 3.14Å; F236-C238 PolarHBondContact O-N 3.26Å; F236-Y239 AromaticContact CD1-CD2 3.99Å; F236-Y239 HydrophobicContact CD1-CD2 3.99Å; F236-Y239 HydrophobicContact CD1-CG 4.42Å; F236-Y239 WeakPolarHBondContact O-CB 3.3Å; F236-Y239 PolarHBondContact O-N 2.84Å
237W81.9Confident77.3Confident57 Ų5778.9 Ų78.922%0.21637%0.367CS..THydrogen-bonded Turntrans-58.8-30.1-177.175.7-82.6000113.3D66 C68 R223 N234D66-W237 HydrophobicContact CB-CH2 3.68Å; D66-W237 HydrophobicContact CB-CZ2 3.73Å; C68-W237 HydrophobicContact CB-CE3 3.87Å; C68-W237 HydrophobicContact CB-CH2 3.94Å; C68-W237 HydrophobicContact CB-CZ3 3.35Å; R223-W237 HydrophobicContact CB-CE3 4.29Å; R223-W237 HydrophobicContact CB-CH2 4.25Å; R223-W237 HydrophobicContact CB-CZ3 4Å; N234-W237 HydrophobicContact CB-CB 4.41Å; N234-W237 PolarHBondContact O-N 3.21Å
238C85Confident78.3Confident5 Ų578 Ų783%0.03436%0.361CS..THydrogen-bonded Turntrans-119.239.1171.7-159.90000112.7C68 F236 K240 G241 I243C68-C238 WeakPolarHBondContact CA-SG 3.22Å; C68-C238 HydrophobicContact CB-CB 3.56Å; C68-C238 WeakPolarHBondContact CB-SG 3.39Å; C68-C238 WeakPolarHBondContact SG-CA 3.28Å; C68-C238 WeakPolarHBondContact SG-CB 3.43Å; C68-C238 CovalentContact SG-SG 2.04Å; C68-C238 PolarHBondContact SG-SG 3.24Å; F236-C238 PolarHBondContact O-N 3.26Å; C238-K240 PolarHBondContact O-N 3.21Å; C238-G241 PolarHBondContact O-N 2.84Å; C238-I243 HydrophobicContact CB-CG1 4.4Å
239Y81.4Confident79.4Confident128 Ų12875.7 Ų75.750%0.50237%0.365SS..THydrogen-bonded Turntrans-62.9134.4175.8-177-111000110.6P125 F236 G241P125-Y239 HydrophobicContact CG-CE2 4.19Å; F236-Y239 AromaticContact CD1-CD2 3.99Å; F236-Y239 HydrophobicContact CD1-CD2 3.99Å; F236-Y239 HydrophobicContact CD1-CG 4.42Å; F236-Y239 WeakPolarHBondContact O-CB 3.3Å; F236-Y239 PolarHBondContact O-N 2.84Å; Y239-G241 PolarHBondContact O-N 2.86Å
240K80.7Confident80.3Confident95 Ų9571.4 Ų71.441%0.41336%0.355SS..THydrogen-bonded Turntrans63.711.8-179-74.1174.1171.8-171.50116.3P125 G127 G128 C238P125-K240 HydrophobicContact CG-CG 4.37Å; P125-K240 VanDerWaalsContact O-CA 3.27Å; P125-K240 WeakPolarHBondContact O-CA 3.46Å; P125-K240 VanDerWaalsContact O-CG 3.25Å; P125-K240 WeakPolarHBondContact O-CG 3.38Å; G127-K240 PolarHBondContact N-O 3.11Å; G128-K240 PolarHBondContact N-O 3.32Å; C238-K240 PolarHBondContact O-N 3.21Å
241G85.9Confident80.5Confident1 Ų171.4 Ų71.41%0.0135%0.349CS..SBendtrans-110.4-171.7177.200000113.9V69 L123 F126 C238 Y239V69-G241 CarbonylContact O-C 3.51Å; V69-G241 WeakPolarHBondContact O-CA 3.34Å; L123-G241 WeakPolarHBondContact CB-O 3.17Å; L123-G241 PolarHBondContact N-O 2.86Å; F126-G241 WeakPolarHBondContact CD2-O 3.48Å; F126-G241 WeakPolarHBondContact CE2-O 3.32Å; C238-G241 PolarHBondContact O-N 2.84Å; Y239-G241 PolarHBondContact O-N 2.86Å
242A88.3Confident81Confident0 Ų066.8 Ų66.80%034%0.337CS..EExtended strand (participates in β ladder)trans-109.713617100000109.8V69 D121 P122 F126 W166V69-A242 HydrophobicContact CB-CB 4.21Å; V69-A242 PolarHBondContact N-O 3.28Å; V69-A242 PolarHBondContact O-N 3.05Å; D121-A242 CarbonylContact O-C 3.58Å; D121-A242 VanDerWaalsContact O-CA 3.3Å; D121-A242 WeakPolarHBondContact O-CA 3.1Å; P122-A242 HydrophobicContact CB-CB 4.24Å; F126-A242 HydrophobicContact CE2-CB 3.88Å; W166-A242 HydrophobicContact CH2-CB 3.86Å; W166-A242 HydrophobicContact CZ2-CB 4.11Å
243I90.1Very high81Confident33 Ų3368 Ų6817%0.16933%0.334CS..EExtended strand (participates in β ladder)trans-84118.8172.8-61.7-179.7000108.2D66 L67 D121 L123 C238 K245D66-I243 HydrophobicContact CB-CG2 4.42Å; L67-I243 CarbonylContact O-C 3.57Å; L67-I243 WeakPolarHBondContact O-CA 3.34Å; D121-I243 PolarHBondContact N-O 2.91Å; D121-I243 PolarHBondContact O-N 3.25Å; L123-I243 HydrophobicContact CD1-CD1 3.8Å; L123-I243 HydrophobicContact CD1-CG1 3.84Å; L123-I243 HydrophobicContact CD2-CD1 4.13Å; L123-I243 HydrophobicContact CD2-CG1 4.44Å; L123-I243 HydrophobicContact CG-CD1 4.27Å; L123-I243 HydrophobicContact CG-CG1 4.16Å; C238-I243 HydrophobicContact CB-CG1 4.4Å; I243-K245 HydrophobicContact CG2-CG 4.21Å
244G91.1Very high80.6Confident0 Ų064.2 Ų64.20%032%0.32CS..EExtended strand (participates in β ladder)trans-93132.2170.300000111.4L67 T119L67-G244 PolarHBondContact N-O 2.97Å; L67-G244 PolarHBondContact O-N 3.24Å; T119-G244 CarbonylContact O-C 3.53Å; T119-G244 WeakPolarHBondContact O-CA 3.44Å
245K92.9Very high79.8Confident76 Ų7662.8 Ų62.833%0.3332%0.315SS..EExtended strand (participates in β ladder)trans-124.9138171.8-59.4-169.2175.7-156.50111.5D66 L118 T119 I243 Y247D66-K245 WeakPolarHBondContact OD1-CE 3.41Å; D66-K245 IonicContact OD1-NZ 2.78Å; L118-K245 CarbonylContact C-O 3.55Å; L118-K245 WeakPolarHBondContact CA-O 3.25Å; T119-K245 PolarHBondContact N-O 3.18Å; T119-K245 PolarHBondContact O-N 3.33Å; T119-K245 WeakPolarHBondContact OG1-CB 3.48Å; T119-K245 PolarHBondContact OG1-O 2.81Å; I243-K245 HydrophobicContact CG2-CG 4.21Å; K245-Y247 HydrophobicContact CB-CD2 4.46Å; K245-Y247 HydrophobicContact CB-CE2 3.65Å; K245-Y247 WeakPolarHBondContact CD-OH 3.38Å
246V92.9Very high78.9Confident2 Ų262.6 Ų62.61%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-100138.9-178.8-176.90000109F62 N63 L67 I116 T117 L118 F160F62-V246 HydrophobicContact CB-CB 4.48Å; F62-V246 HydrophobicContact CB-CG1 4.12Å; N63-V246 WeakPolarHBondContact CA-O 3.34Å; N63-V246 PolarHBondContact OD1-O 2.79Å; L67-V246 HydrophobicContact CD1-CG2 4.07Å; I116-V246 HydrophobicContact CD1-CG1 3.16Å; I116-V246 HydrophobicContact CG1-CG1 3.54Å; I116-V246 HydrophobicContact CG2-CG1 4.23Å; T117-V246 CarbonylContact O-C 3.51Å; T117-V246 WeakPolarHBondContact O-CA 3.41Å; L118-V246 HydrophobicContact CD1-CG2 4.1Å; F160-V246 HydrophobicContact CE1-CG2 3.87Å; F160-V246 HydrophobicContact CZ-CG2 3.69Å
247Y90.6Very high77.7Confident99 Ų9960.8 Ų60.839%0.38831%0.307SS..EExtended strand (participates in β ladder)trans-136116.4177.9-63.8-77.5000110.3N63 I116 T117 T119 K245N63-Y247 WeakPolarHBondContact OD1-CA 3.28Å; I116-Y247 WeakPolarHBondContact CG1-O 3.44Å; T117-Y247 WeakPolarHBondContact CB-O 3.49Å; T117-Y247 PolarHBondContact N-O 3.28Å; T117-Y247 PolarHBondContact O-N 3.25Å; T119-Y247 HydrophobicContact CG2-CD2 3.94Å; T119-Y247 HydrophobicContact CG2-CE2 3.78Å; K245-Y247 HydrophobicContact CB-CD2 4.46Å; K245-Y247 HydrophobicContact CB-CE2 3.65Å; K245-Y247 WeakPolarHBondContact CD-OH 3.38Å
248H88.3Confident76.2Confident21 Ų2160.6 Ų60.610%0.09731%0.312CS..PPolyproline II helixtrans-93.7126.7169.5-177.253.1000111.5N56 L59 N63 I116N56-H248 PolarHBondContact OD1-NE2 2.96Å; L59-H248 HydrophobicContact CB-CB 4.05Å; N63-H248 PolarHBondContact OD1-N 2.96Å; I116-H248 HydrophobicContact CD1-CB 4.2Å; I116-H248 HydrophobicContact CG1-CB 4.48Å
249A81.1Confident74.6Confident76 Ų7663.7 Ų63.763%0.62833%0.333SS*.PPolyproline II helixtrans-89.8124.2170.600000109.5N251A249-N251 PolarHBondContact O-N 2.85Å
250L77.8Confident73.2Confident119 Ų11962.9 Ų62.962%0.62334%0.337SS*.PPolyproline II helixtrans-51.7122.7-179.1-77.4171000111.6N56 L60N56-L250 HydrophobicContact CB-CD2 3.81Å; L60-L250 HydrophobicContact CD1-CD2 3.74Å; L60-L250 HydrophobicContact CD1-CG 4.46Å; L60-L250 HydrophobicContact CG-CD2 4.4Å
251N68.1Low72Confident47 Ų4764.4 Ų64.425%0.25135%0.349SS..  trans-105.3116.1177.6-173.1-23.4000110N56 A249 K253 L254N56-N251 PolarHBondContact ND2-O 2.82Å; N56-N251 PolarHBondContact OD1-N 2.81Å; N56-N251 VanDerWaalsContact OD1-N 3.11Å; A249-N251 PolarHBondContact O-N 2.85Å; N251-K253 PolarHBondContact O-N 3.04Å; N251-K253 WeakPolarHBondContact OD1-CB 3.44Å; N251-K253 PolarHBondContact OD1-N 2.87Å; N251-L254 HydrophobicContact CB-CB 4.38Å; N251-L254 HydrophobicContact CB-CD1 3.88Å; N251-L254 HydrophobicContact CB-CG 3.98Å; N251-L254 PolarHBondContact O-N 2.77Å
252P65.9Low70.6Confident105 Ų10568.6 Ų68.668%0.68237%0.372SS*.THydrogen-bonded Turntrans-62.9-15.9-177.826.3-35000113.7L254 T255P252-L254 VanDerWaalsContact C-N 3.32Å; P252-T255 PolarHBondContact O-OG1 3.08Å
253K63.6Low69.3Low177 Ų17772.2 Ų72.277%0.7739%0.386SS*.THydrogen-bonded Turntrans-79.2-12.8174.7-58.5-176.8-177.3-179.70113.8N251N251-K253 PolarHBondContact O-N 3.04Å; N251-K253 WeakPolarHBondContact OD1-CB 3.44Å; N251-K253 PolarHBondContact OD1-N 2.87Å
254L59.3Low67.7Low9 Ų973.9 Ų73.95%0.04740%0.4CS..THydrogen-bonded Turntrans-108.8-5.2-176.8-56.9179.7000113.2W55 P201 N251 P252W55-L254 HydrophobicContact CB-CB 4.25Å; P201-L254 HydrophobicContact CB-CD1 3.86Å; P201-L254 HydrophobicContact CB-CD2 4.26Å; N251-L254 HydrophobicContact CB-CB 4.38Å; N251-L254 HydrophobicContact CB-CD1 3.88Å; N251-L254 HydrophobicContact CB-CG 3.98Å; N251-L254 PolarHBondContact O-N 2.77Å; P252-L254 VanDerWaalsContact C-N 3.32Å
255T58.5Low66.6Low54 Ų5478.1 Ų78.133%0.33142%0.422SS..SBendtrans-81.2115.1166.7400000108.8N56 P252 I257N56-T255 HydrophobicContact CB-CG2 4.47Å; N56-T255 WeakPolarHBondContact ND2-CG2 3.4Å; N56-T255 PolarHBondContact ND2-N 2.72Å; P252-T255 PolarHBondContact O-OG1 3.08Å; T255-I257 VanDerWaalsContact C-N 3.3Å; T255-I257 PolarHBondContact O-N 3.25Å
256V55.3Low65.5Low72 Ų7278.1 Ų78.144%0.43643%0.425SS..  trans-71.893.1168.3-179.70000107.7T198T198-V256 HydrophobicContact CG2-CG2 3.5Å
257I53.9Low64.2Low100 Ų10080.5 Ų80.551%0.51344%0.438SS..PPolyproline II helixtrans-72.8135.3166.4-56.4165.8000105.8T255T255-I257 VanDerWaalsContact C-N 3.3Å; T255-I257 PolarHBondContact O-N 3.25Å
258V49.1Very low63.4Low53 Ų5380.9 Ų80.932%0.32145%0.446SS..PPolyproline II helixtrans-49.8130.4173.21740000108.5I46 D260I46-V258 VanDerWaalsContact O-CG2 3.25Å; I46-V258 WeakPolarHBondContact O-CG2 3.38Å; V258-D260 PolarHBondContact O-N 3.47Å
259P52.8Low62.8Low71 Ų7185.2 Ų85.246%0.46147%0.466SS..PPolyproline II helixtrans-51.2126.2-179.3-24.231.8000110.8D261 D262 R263P259-D261 PolarHBondContact O-N 3.29Å; P259-D261 VanDerWaalsContact O-N 3.09Å; P259-D262 PolarHBondContact O-N 2.94Å; P259-D262 VanDerWaalsContact O-N 3.11Å; P259-R263 PolarHBondContact O-N 2.92Å
260D52Low62.6Low111 Ų11182.8 Ų82.859%0.59444%0.442SS*.Hα-helixtrans-56.8-26.1177.8-81.3-46.1000111.8V258 R263 S264V258-D260 PolarHBondContact O-N 3.47Å; D260-R263 PolarHBondContact O-N 2.79Å; D260-S264 WeakPolarHBondContact O-CB 3.36Å; D260-S264 PolarHBondContact O-N 2.83Å; D260-S264 PolarHBondContact O-OG 2.98Å
261D54Low62.5Low126 Ų12682.3 Ų82.367%0.67444%0.438SS*.Hα-helixtrans-62.2-47.3176.4-67.7-29.5000111.9P259 S264 L265P259-D261 PolarHBondContact O-N 3.29Å; P259-D261 VanDerWaalsContact O-N 3.09Å; D261-S264 PolarHBondContact O-N 3.3Å; D261-S264 PolarHBondContact O-OG 2.94Å; D261-L265 WeakPolarHBondContact O-CB 3.43Å; D261-L265 PolarHBondContact O-N 2.86Å
262D57.7Low63.1Low90 Ų9086.2 Ų86.248%0.48146%0.455SS..Hα-helixtrans-69.7-36.7178.6-69.7-22.5000111.4P259 L265 I266P259-D262 PolarHBondContact O-N 2.94Å; P259-D262 VanDerWaalsContact O-N 3.11Å; D262-L265 PolarHBondContact O-N 3.14Å; D262-I266 WeakPolarHBondContact O-CB 3.38Å; D262-I266 WeakPolarHBondContact O-CD1 3.15Å; D262-I266 WeakPolarHBondContact O-CG1 3.41Å; D262-I266 PolarHBondContact O-N 2.91Å
263R59.5Low63.8Low76 Ų7683.9 Ų83.929%0.28744%0.439SS..Hα-helixtrans-65.9-40.4174.8-168.3-178.7-171.4-171.28111.7F41 K42 P259 D260 N267F41-R263 PolarHBondContact O-NE 3.18Å; F41-R263 PolarHBondContact O-NH2 2.85Å; K42-R263 PolarHBondContact O-NH2 3.04Å; P259-R263 PolarHBondContact O-N 2.92Å; D260-R263 PolarHBondContact O-N 2.79Å; R263-N267 WeakPolarHBondContact O-CB 3.41Å; R263-N267 PolarHBondContact O-N 3.44Å
264S57.8Low64.6Low68 Ų6875.7 Ų75.748%0.47640%0.404SS..Hα-helixtrans-69.5-38.7177.5800000111.2D260 D261 N267 L268D260-S264 WeakPolarHBondContact O-CB 3.36Å; D260-S264 PolarHBondContact O-N 2.83Å; D260-S264 PolarHBondContact O-OG 2.98Å; D261-S264 PolarHBondContact O-N 3.3Å; D261-S264 PolarHBondContact O-OG 2.94Å; S264-N267 PolarHBondContact O-N 3.35Å; S264-L268 WeakPolarHBondContact O-CB 3.46Å; S264-L268 PolarHBondContact O-N 2.99Å
265L67.9Low65.8Low89 Ų8982.9 Ų82.947%0.46643%0.431SS..Hα-helixtrans-66.6-47.2176.8-166.986000111.3D261 D262 N267 L268 H269D261-L265 WeakPolarHBondContact O-CB 3.43Å; D261-L265 PolarHBondContact O-N 2.86Å; D262-L265 PolarHBondContact O-N 3.14Å; L265-N267 PolarHBondContact O-N 3.2Å; L265-L268 PolarHBondContact O-N 3.45Å; L265-H269 WeakPolarHBondContact O-CB 3.31Å; L265-H269 PolarHBondContact O-CD2 2.76Å; L265-H269 PolarHBondContact O-N 3.45Å
266I68.4Low67Low76 Ų7686 Ų8639%0.3944%0.441SS..Hα-helixtrans-63-43.9176.6-69.4165.4000110.4F41 D262 H269 L270F41-I266 HydrophobicContact CD2-CG2 4.42Å; D262-I266 WeakPolarHBondContact O-CB 3.38Å; D262-I266 WeakPolarHBondContact O-CD1 3.15Å; D262-I266 WeakPolarHBondContact O-CG1 3.41Å; D262-I266 PolarHBondContact O-N 2.91Å; I266-H269 PolarHBondContact O-N 3Å; I266-L270 HydrophobicContact CG2-CD1 3.57Å; I266-L270 HydrophobicContact CG2-CG 4.49Å; I266-L270 WeakPolarHBondContact O-CB 3.31Å; I266-L270 WeakPolarHBondContact O-CD1 3.24Å; I266-L270 WeakPolarHBondContact O-CG 3.33Å; I266-L270 PolarHBondContact O-N 3.21Å
267N67.3Low68.4Low51 Ų5184.1 Ų84.127%0.27343%0.428SS..Hα-helixtrans-66.3-37.7176.2-172.432.5000112R263 S264 L265 L270 M271R263-N267 WeakPolarHBondContact O-CB 3.41Å; R263-N267 PolarHBondContact O-N 3.44Å; S264-N267 PolarHBondContact O-N 3.35Å; L265-N267 PolarHBondContact O-N 3.2Å; N267-L270 PolarHBondContact O-N 3.13Å; N267-M271 WeakPolarHBondContact O-CB 2.96Å; N267-M271 PolarHBondContact O-N 3.42Å
268L72.8Confident69.9Low108 Ų10883.2 Ų83.257%0.56542%0.42SS*.Hα-helixtrans-63.4-45.3174.8-176.672.8000110.7S264 L265 M271 H272S264-L268 WeakPolarHBondContact O-CB 3.46Å; S264-L268 PolarHBondContact O-N 2.99Å; L265-L268 PolarHBondContact O-N 3.45Å; L268-M271 PolarHBondContact O-N 2.04Å; L268-H272 WeakPolarHBondContact O-CB 2.89Å; L268-H272 PolarHBondContact O-N 2.88Å
269H77.1Confident71.7Confident111 Ų11183.5 Ų83.551%0.51442%0.422SS..Hα-helixtrans-66.6-43.2176.9-73.8-56.7000112.2L265 I266 T273L265-H269 WeakPolarHBondContact O-CB 3.31Å; L265-H269 PolarHBondContact O-CD2 2.76Å; L265-H269 PolarHBondContact O-N 3.45Å; I266-H269 PolarHBondContact O-N 3Å; H269-T273 WeakPolarHBondContact O-CB 3.37Å; H269-T273 VanDerWaalsContact O-CG2 3.23Å; H269-T273 WeakPolarHBondContact O-CG2 3.44Å; H269-T273 PolarHBondContact O-N 3.43Å; H269-T273 PolarHBondContact O-OG1 3.37Å
270L76.1Confident73.2Confident25 Ų2583.4 Ų83.413%0.13142%0.416CS..Hα-helixtrans-65.1-38.2175.4-79.1159.6000112.2F34 F41 I266 N267 T273 S274F34-L270 HydrophobicContact CB-CD2 3.94Å; F34-L270 HydrophobicContact CD1-CD2 4.17Å; F34-L270 HydrophobicContact CG-CD2 4.19Å; F41-L270 HydrophobicContact CD2-CD1 3.95Å; F41-L270 HydrophobicContact CE2-CD1 4.37Å; I266-L270 HydrophobicContact CG2-CD1 3.57Å; I266-L270 HydrophobicContact CG2-CG 4.49Å; I266-L270 WeakPolarHBondContact O-CB 3.31Å; I266-L270 WeakPolarHBondContact O-CD1 3.24Å; I266-L270 WeakPolarHBondContact O-CG 3.33Å; I266-L270 PolarHBondContact O-N 3.21Å; N267-L270 PolarHBondContact O-N 3.13Å; L270-T273 WeakPolarHBondContact CA-OG1 3.09Å; L270-T273 PolarHBondContact O-OG1 2.92Å; L270-S274 VanDerWaalsContact O-CB 3.24Å; L270-S274 WeakPolarHBondContact O-CB 3.3Å; L270-S274 PolarHBondContact O-N 3.31Å; L270-S274 PolarHBondContact O-OG 3.1Å
271M75.2Confident74.8Confident109 Ų10979.3 Ų79.354%0.53740%0.395SS..Hα-helixtrans-71.5-43.1177.4-169.3-175.4-59.600111.7N267 L268 S274 Y275N267-M271 WeakPolarHBondContact O-CB 2.96Å; N267-M271 PolarHBondContact O-N 3.42Å; L268-M271 PolarHBondContact O-N 2.04Å; M271-S274 WeakPolarHBondContact CA-OG 3.11Å; M271-S274 PolarHBondContact O-OG 3.18Å; M271-Y275 VanDerWaalsContact O-CB 3.26Å; M271-Y275 WeakPolarHBondContact O-CB 3.47Å; M271-Y275 PolarHBondContact O-N 3.03Å
272H80.3Confident76.3Confident129 Ų12978 Ų7860%0.59739%0.387SS*.Hα-helixtrans-66.7-43.4178.3-174.4-91000111.8L268 F276L268-H272 WeakPolarHBondContact O-CB 2.89Å; L268-H272 PolarHBondContact O-N 2.88Å; H272-F276 PolarHBondContact O-N 3.3Å; H272-F276 VanDerWaalsContact O-N 3.1Å
273T80.9Confident77.7Confident57 Ų5777.4 Ų77.435%0.3539%0.387SS..Hα-helixtrans-66.6-46176.951.70000111.9H269 L270 Y275 F276 L277H269-T273 WeakPolarHBondContact O-CB 3.37Å; H269-T273 VanDerWaalsContact O-CG2 3.23Å; H269-T273 WeakPolarHBondContact O-CG2 3.44Å; H269-T273 PolarHBondContact O-N 3.43Å; H269-T273 PolarHBondContact O-OG1 3.37Å; L270-T273 WeakPolarHBondContact CA-OG1 3.09Å; L270-T273 PolarHBondContact O-OG1 2.92Å; T273-Y275 PolarHBondContact O-N 3.14Å; T273-F276 PolarHBondContact O-N 2.76Å; T273-L277 WeakPolarHBondContact O-CG 3.27Å; T273-L277 PolarHBondContact O-N 3.01Å; T273-L277 VanDerWaalsContact O-N 3.08Å
274S80.8Confident78.8Confident5 Ų576.6 Ų76.64%0.03539%0.387CS..Hα-helixtrans-61.5-43.6176.257.60000112.1L270 M271 F276 L277 F278L270-S274 VanDerWaalsContact O-CB 3.24Å; L270-S274 WeakPolarHBondContact O-CB 3.3Å; L270-S274 PolarHBondContact O-N 3.31Å; L270-S274 PolarHBondContact O-OG 3.1Å; M271-S274 WeakPolarHBondContact CA-OG 3.11Å; M271-S274 PolarHBondContact O-OG 3.18Å; S274-F276 VanDerWaalsContact C-N 3.35Å; S274-F276 PolarHBondContact O-N 3.25Å; S274-L277 PolarHBondContact O-N 3.18Å; S274-F278 VanDerWaalsContact O-CD2 3.24Å; S274-F278 WeakPolarHBondContact O-CD2 2.97Å; S274-F278 PolarHBondContact O-N 2.99Å
275Y84Confident80Confident160 Ų16078.5 Ų78.563%0.62739%0.387SS*.Hα-helixtrans-56.8-46.8175.7178-101.8000112.2M271 T273 L277 F278 V279M271-Y275 VanDerWaalsContact O-CB 3.26Å; M271-Y275 WeakPolarHBondContact O-CB 3.47Å; M271-Y275 PolarHBondContact O-N 3.03Å; T273-Y275 PolarHBondContact O-N 3.14Å; Y275-L277 PolarHBondContact O-N 3.5Å; Y275-F278 PolarHBondContact O-N 3.39Å; Y275-V279 HydrophobicContact CD1-CG2 4.38Å; Y275-V279 HydrophobicContact CE1-CG2 3.96Å; Y275-V279 HydrophobicContact CE2-CG2 4.14Å; Y275-V279 WeakPolarHBondContact O-CG2 3.29Å; Y275-V279 PolarHBondContact O-N 3.12Å
276F85.3Confident80.8Confident120 Ų12077 Ų7753%0.52638%0.384SS..Hα-helixtrans-59.8-44.6177.4-177.2-98.5000112.1H272 T273 S274 F278 V279 M280H272-F276 PolarHBondContact O-N 3.3Å; H272-F276 VanDerWaalsContact O-N 3.1Å; T273-F276 PolarHBondContact O-N 2.76Å; S274-F276 VanDerWaalsContact C-N 3.35Å; S274-F276 PolarHBondContact O-N 3.25Å; F276-F278 PolarHBondContact O-N 2.67Å; F276-V279 PolarHBondContact O-N 2.78Å; F276-M280 HydrophobicContact CD1-CG 4.4Å; F276-M280 HydrophobicContact CD1-SD 4.16Å; F276-M280 HydrophobicContact CE1-CG 4.02Å; F276-M280 HydrophobicContact CE1-SD 3.43Å; F276-M280 WeakPolarHBondContact CE1-SD 3.46Å; F276-M280 HydrophobicContact CZ-CG 4.23Å; F276-M280 HydrophobicContact CZ-SD 3.89Å; F276-M280 WeakPolarHBondContact O-CG 3.36Å; F276-M280 PolarHBondContact O-N 2.94Å
277L83.9Confident81.4Confident31 Ų3177.8 Ų77.816%0.16238%0.382CS..Hα-helixtrans-63.5-40177.3-62.7175.4000111.9V27 M30 A31 F34 T273 S274 Y275 M280 V281V27-L277 HydrophobicContact CG1-CB 4.2Å; V27-L277 HydrophobicContact CG1-CD2 4.03Å; M30-L277 HydrophobicContact CG-CD1 4.24Å; A31-L277 HydrophobicContact CB-CB 3.92Å; A31-L277 HydrophobicContact CB-CD1 4.2Å; F34-L277 HydrophobicContact CD2-CD1 3.92Å; F34-L277 HydrophobicContact CE2-CD1 4.06Å; T273-L277 WeakPolarHBondContact O-CG 3.27Å; T273-L277 PolarHBondContact O-N 3.01Å; T273-L277 VanDerWaalsContact O-N 3.08Å; S274-L277 PolarHBondContact O-N 3.18Å; Y275-L277 PolarHBondContact O-N 3.5Å; L277-M280 PolarHBondContact O-N 2.73Å; L277-V281 WeakPolarHBondContact O-CG2 3.25Å; L277-V281 PolarHBondContact O-N 2.77Å
278F84.4Confident81.9Confident82 Ų8275.5 Ų75.536%0.3637%0.37SS..Hα-helixtrans-63.3-43.2175.5-89-73.8000112.7A31 L35 S274 Y275 F276 M280 V281 I282A31-F278 HydrophobicContact CB-CD2 4.3Å; A31-F278 HydrophobicContact CB-CE2 3.96Å; A31-F278 HydrophobicContact CB-CZ 4.36Å; L35-F278 HydrophobicContact CD1-CE2 3.42Å; L35-F278 VanDerWaalsContact CD1-CE2 3.42Å; L35-F278 HydrophobicContact CD1-CZ 3.78Å; L35-F278 HydrophobicContact CG-CE2 4.15Å; S274-F278 VanDerWaalsContact O-CD2 3.24Å; S274-F278 WeakPolarHBondContact O-CD2 2.97Å; S274-F278 PolarHBondContact O-N 2.99Å; Y275-F278 PolarHBondContact O-N 3.39Å; F276-F278 PolarHBondContact O-N 2.67Å; F278-M280 VanDerWaalsContact C-N 3.33Å; F278-M280 PolarHBondContact O-N 2.84Å; F278-V281 PolarHBondContact O-N 3.41Å; F278-I282 VanDerWaalsContact O-CG1 3.31Å; F278-I282 WeakPolarHBondContact O-CG1 3.19Å; F278-I282 PolarHBondContact O-N 2.71Å
279V86.9Confident82.2Confident58 Ų5871.8 Ų71.835%0.35235%0.352SS..Hα-helixtrans-62.5-41.3176.6173.90000110.8Y275 F276 V281 I282 T283Y275-V279 HydrophobicContact CD1-CG2 4.38Å; Y275-V279 HydrophobicContact CE1-CG2 3.96Å; Y275-V279 HydrophobicContact CE2-CG2 4.14Å; Y275-V279 WeakPolarHBondContact O-CG2 3.29Å; Y275-V279 PolarHBondContact O-N 3.12Å; F276-V279 PolarHBondContact O-N 2.78Å; V279-V281 PolarHBondContact O-N 3.12Å; V279-I282 PolarHBondContact O-N 3.44Å; V279-T283 HydrophobicContact CG1-CG2 4.27Å; V279-T283 WeakPolarHBondContact O-CB 3.12Å; V279-T283 VanDerWaalsContact O-CG2 3.23Å; V279-T283 WeakPolarHBondContact O-CG2 3.43Å; V279-T283 PolarHBondContact O-N 3.4Å; V279-T283 PolarHBondContact O-OG1 3.2Å
280M85.6Confident82.3Confident69 Ų6972.9 Ų72.934%0.3436%0.36SS..Hα-helixtrans-61-42.8174-72-163.390.900112.4F276 L277 F278 T283 M284F276-M280 HydrophobicContact CD1-CG 4.4Å; F276-M280 HydrophobicContact CD1-SD 4.16Å; F276-M280 HydrophobicContact CE1-CG 4.02Å; F276-M280 HydrophobicContact CE1-SD 3.43Å; F276-M280 WeakPolarHBondContact CE1-SD 3.46Å; F276-M280 HydrophobicContact CZ-CG 4.23Å; F276-M280 HydrophobicContact CZ-SD 3.89Å; F276-M280 WeakPolarHBondContact O-CG 3.36Å; F276-M280 PolarHBondContact O-N 2.94Å; L277-M280 PolarHBondContact O-N 2.73Å; F278-M280 VanDerWaalsContact C-N 3.33Å; F278-M280 PolarHBondContact O-N 2.84Å; M280-T283 WeakPolarHBondContact CA-OG1 3.46Å; M280-T283 PolarHBondContact O-OG1 3.1Å; M280-M284 WeakPolarHBondContact O-CB 3.35Å; M280-M284 VanDerWaalsContact O-CG 3.26Å; M280-M284 WeakPolarHBondContact O-CG 3.25Å; M280-M284 PolarHBondContact O-N 3.41Å
281V85.7Confident82Confident25 Ų2577.7 Ų77.715%0.15238%0.38CS..Hα-helixtrans-66.7-45.6178.3171.80000111.5M24 V27 L277 F278 V279 T283 M284 F285M24-V281 HydrophobicContact CE-CB 4.27Å; M24-V281 HydrophobicContact CE-CG1 3.85Å; M24-V281 WeakPolarHBondContact CE-O 3.31Å; V27-V281 HydrophobicContact CB-CG2 4.31Å; V27-V281 HydrophobicContact CG1-CG2 3.65Å; L277-V281 WeakPolarHBondContact O-CG2 3.25Å; L277-V281 PolarHBondContact O-N 2.77Å; F278-V281 PolarHBondContact O-N 3.41Å; V279-V281 PolarHBondContact O-N 3.12Å; V281-T283 PolarHBondContact O-N 3.05Å; V281-M284 PolarHBondContact O-N 3.07Å; V281-F285 WeakPolarHBondContact O-CB 3.29Å; V281-F285 PolarHBondContact O-N 3.31Å
282I85.8Confident81.4Confident99 Ų9972.7 Ų72.751%0.50836%0.357SS..Hα-helixtrans-63-45.2179.6-68167.8000110.5F278 V279 M284 F285 C286F278-I282 VanDerWaalsContact O-CG1 3.31Å; F278-I282 WeakPolarHBondContact O-CG1 3.19Å; F278-I282 PolarHBondContact O-N 2.71Å; V279-I282 PolarHBondContact O-N 3.44Å; I282-M284 PolarHBondContact O-N 3.4Å; I282-F285 PolarHBondContact O-N 3Å; I282-C286 WeakPolarHBondContact O-CB 3.49Å; I282-C286 PolarHBondContact O-N 3.19Å; I282-C286 PolarHBondContact O-SG 3.05Å
283T86.2Confident80.4Confident78 Ų7876.2 Ų76.248%0.47937%0.365SS..Hα-helixtrans-64.4-41.3179.5520000112.4V279 M280 V281 C286 Y287V279-T283 HydrophobicContact CG1-CG2 4.27Å; V279-T283 WeakPolarHBondContact O-CB 3.12Å; V279-T283 VanDerWaalsContact O-CG2 3.23Å; V279-T283 WeakPolarHBondContact O-CG2 3.43Å; V279-T283 PolarHBondContact O-N 3.4Å; V279-T283 PolarHBondContact O-OG1 3.2Å; M280-T283 WeakPolarHBondContact CA-OG1 3.46Å; M280-T283 PolarHBondContact O-OG1 3.1Å; V281-T283 PolarHBondContact O-N 3.05Å; T283-C286 PolarHBondContact O-N 2.62Å; T283-Y287 VanDerWaalsContact O-CB 3.29Å; T283-Y287 WeakPolarHBondContact O-CB 3.33Å; T283-Y287 PolarHBondContact O-N 3.47Å
284M83.1Confident79Confident59 Ų5977.5 Ų77.529%0.29137%0.374SS..Hα-helixtrans-64.5-39173.5-78.4-89.5169.500112.4L20 M24 M280 V281 I282 Y287 A288L20-M284 HydrophobicContact CD1-SD 4.4Å; L20-M284 HydrophobicContact CD2-SD 4.05Å; L20-M284 HydrophobicContact CG-SD 4.47Å; M24-M284 HydrophobicContact CE-CB 3.35Å; M24-M284 HydrophobicContact CE-CG 4.39Å; M24-M284 HydrophobicContact SD-CB 3.24Å; M24-M284 WeakPolarHBondContact SD-CB 3.38Å; M24-M284 HydrophobicContact SD-CG 3.65Å; M24-M284 HydrophobicContact SD-SD 4.34Å; M280-M284 WeakPolarHBondContact O-CB 3.35Å; M280-M284 VanDerWaalsContact O-CG 3.26Å; M280-M284 WeakPolarHBondContact O-CG 3.25Å; M280-M284 PolarHBondContact O-N 3.41Å; V281-M284 PolarHBondContact O-N 3.07Å; I282-M284 PolarHBondContact O-N 3.4Å; M284-Y287 WeakPolarHBondContact O-CB 3.17Å; M284-Y287 PolarHBondContact O-N 2.8Å; M284-A288 WeakPolarHBondContact O-CB 3.35Å; M284-A288 PolarHBondContact O-N 3.33Å
285F82.9Confident77.4Confident107 Ų10781.7 Ų81.747%0.46940%0.404SS..Hα-helixtrans-66.5-46.6175.5-175.3-96.2000111.8L10 V281 I282 Y287 A288 V289L10-F285 HydrophobicContact CD1-CD2 4.14Å; L10-F285 HydrophobicContact CD1-CE2 3.73Å; L10-F285 HydrophobicContact CD1-CZ 4.5Å; L10-F285 HydrophobicContact CD2-CE2 3.8Å; L10-F285 HydrophobicContact CD2-CZ 4.18Å; L10-F285 HydrophobicContact CG-CE2 4.44Å; V281-F285 WeakPolarHBondContact O-CB 3.29Å; V281-F285 PolarHBondContact O-N 3.31Å; I282-F285 PolarHBondContact O-N 3Å; F285-Y287 VanDerWaalsContact C-N 3.27Å; F285-Y287 PolarHBondContact O-N 3.36Å; F285-A288 WeakPolarHBondContact O-CB 3.38Å; F285-A288 PolarHBondContact O-N 3.22Å; F285-A288 VanDerWaalsContact O-N 3.11Å; F285-V289 HydrophobicContact CD1-CG2 4.21Å; F285-V289 HydrophobicContact CE1-CG2 3.86Å; F285-V289 HydrophobicContact CZ-CG2 4.15Å; F285-V289 WeakPolarHBondContact O-CG2 3.49Å; F285-V289 PolarHBondContact O-N 3.45Å
286C84.2Confident75.5Confident59 Ų5983.7 Ų83.740%0.39942%0.416SS..Hα-helixtrans-57.5-42.3173-70.60000111.1I282 T283 A288 V289 I290I282-C286 WeakPolarHBondContact O-CB 3.49Å; I282-C286 PolarHBondContact O-N 3.19Å; I282-C286 PolarHBondContact O-SG 3.05Å; T283-C286 PolarHBondContact O-N 2.62Å; C286-A288 PolarHBondContact O-N 3.34Å; C286-V289 PolarHBondContact O-N 2.72Å; C286-I290 WeakPolarHBondContact O-CB 3.37Å; C286-I290 WeakPolarHBondContact O-CD1 3.45Å; C286-I290 WeakPolarHBondContact O-CG1 3.49Å; C286-I290 PolarHBondContact O-N 2.84Å
287Y81.8Confident73.5Confident92 Ų9286 Ų8636%0.36143%0.433SS..Hα-helixtrans-62.5-41175.4178.6-95.8000112.4Y13 T283 M284 F285 I290 K291Y13-Y287 HydrophobicContact CE2-CD1 4.1Å; Y13-Y287 HydrophobicContact CE2-CE1 4.12Å; T283-Y287 VanDerWaalsContact O-CB 3.29Å; T283-Y287 WeakPolarHBondContact O-CB 3.33Å; T283-Y287 PolarHBondContact O-N 3.47Å; M284-Y287 WeakPolarHBondContact O-CB 3.17Å; M284-Y287 PolarHBondContact O-N 2.8Å; F285-Y287 VanDerWaalsContact C-N 3.27Å; F285-Y287 PolarHBondContact O-N 3.36Å; Y287-I290 PolarHBondContact O-N 3.34Å; Y287-K291 HydrophobicContact CD2-CD 4.29Å; Y287-K291 HydrophobicContact CE1-CB 4.49Å; Y287-K291 HydrophobicContact CE1-CD 4Å; Y287-K291 HydrophobicContact CE2-CB 4.35Å; Y287-K291 HydrophobicContact CE2-CD 3.38Å; Y287-K291 VanDerWaalsContact O-CB 3.24Å; Y287-K291 WeakPolarHBondContact O-CB 3.44Å; Y287-K291 PolarHBondContact O-N 3.15Å; Y287-K291 WeakPolarHBondContact OH-CD 3.44Å; Y287-K291 WeakPolarHBondContact OH-CE 3.44Å; Y287-K291 PolarHBondContact OH-NZ 3.18Å
288A77.9Confident71.4Confident3 Ų395.8 Ų95.83%0.02547%0.467CS..Hα-helixtrans-61.5-44175.100000112L10 Y13 M284 F285 C286 G292L10-A288 HydrophobicContact CD1-CB 4.2Å; Y13-A288 HydrophobicContact CD1-CB 3.34Å; Y13-A288 HydrophobicContact CD2-CB 3.98Å; Y13-A288 HydrophobicContact CE1-CB 3.48Å; Y13-A288 VanDerWaalsContact CE1-CB 3.48Å; Y13-A288 HydrophobicContact CE2-CB 4.1Å; Y13-A288 HydrophobicContact CG-CB 3.59Å; M284-A288 WeakPolarHBondContact O-CB 3.35Å; M284-A288 PolarHBondContact O-N 3.33Å; F285-A288 WeakPolarHBondContact O-CB 3.38Å; F285-A288 PolarHBondContact O-N 3.22Å; F285-A288 VanDerWaalsContact O-N 3.11Å; C286-A288 PolarHBondContact O-N 3.34Å; A288-G292 WeakPolarHBondContact O-CA 3.24Å; A288-G292 PolarHBondContact O-N 3.45Å
289V77.7Confident69.2Low29 Ų29100.7 Ų100.718%0.17649%0.491CS..Hα-helixtrans-67.4-39.6179.6174.20000112P6 N9 F285 C286P6-V289 HydrophobicContact CB-CG1 3.99Å; N9-V289 PolarHBondContact ND2-O 3.18Å; N9-V289 VanDerWaalsContact ND2-O 3.15Å; F285-V289 HydrophobicContact CD1-CG2 4.21Å; F285-V289 HydrophobicContact CE1-CG2 3.86Å; F285-V289 HydrophobicContact CZ-CG2 4.15Å; F285-V289 WeakPolarHBondContact O-CG2 3.49Å; F285-V289 PolarHBondContact O-N 3.45Å; C286-V289 PolarHBondContact O-N 2.72Å
290I79.4Confident66.7Low134 Ų134103.1 Ų103.169%0.68751%0.511SS*.Hα-helixtrans-78.5-42.2-178-64.3165.7000111.7C286 Y287C286-I290 WeakPolarHBondContact O-CB 3.37Å; C286-I290 WeakPolarHBondContact O-CD1 3.45Å; C286-I290 WeakPolarHBondContact O-CG1 3.49Å; C286-I290 PolarHBondContact O-N 2.84Å; Y287-I290 PolarHBondContact O-N 3.34Å
291K70.6Confident64Low126 Ų126106.5 Ų106.555%0.54853%0.53SS..Hα-helixtrans-101.1-9.1-171.2-152.6178-178168.30114.2Y287 R293Y287-K291 HydrophobicContact CD2-CD 4.29Å; Y287-K291 HydrophobicContact CE1-CB 4.49Å; Y287-K291 HydrophobicContact CE1-CD 4Å; Y287-K291 HydrophobicContact CE2-CB 4.35Å; Y287-K291 HydrophobicContact CE2-CD 3.38Å; Y287-K291 VanDerWaalsContact O-CB 3.24Å; Y287-K291 WeakPolarHBondContact O-CB 3.44Å; Y287-K291 PolarHBondContact O-N 3.15Å; Y287-K291 WeakPolarHBondContact OH-CD 3.44Å; Y287-K291 WeakPolarHBondContact OH-CE 3.44Å; Y287-K291 PolarHBondContact OH-NZ 3.18Å; K291-R293 PolarHBondContact O-N 2.87Å
292G62.6Low62.2Low5 Ų5111 Ų1115%0.05256%0.56CS.*  trans-67.859.2165.900000111.2N9 A288N9-G292 WeakPolarHBondContact CA-O 3.21Å; N9-G292 WeakPolarHBondContact CB-O 3.44Å; N9-G292 PolarHBondContact OD1-O 2.9Å; A288-G292 WeakPolarHBondContact O-CA 3.24Å; A288-G292 PolarHBondContact O-N 3.45Å
293R58.7Low59.9Low202 Ų202114 Ų11476%0.76257%0.572SS**  trans-66.1137.7172.3-77.3-175.2178.2-178.9-0.5108.4K291 S295K291-R293 PolarHBondContact O-N 2.87Å; R293-S295 PolarHBondContact O-N 3.41Å
294P52.1Low57.3Low85 Ų85119.3 Ų119.355%0.55259%0.589SS**  trans-64.999.4172.426.2-31.4000107.8K296P294-K296 PolarHBondContact O-N 3.28Å; P294-K296 VanDerWaalsContact O-N 3.09Å
295S47.5Very low55Low93 Ų93121.6 Ų121.665%0.6561%0.609SS**  trans-61113.9163.950.50000106R293 L297R293-S295 PolarHBondContact O-N 3.41Å; S295-L297 PolarHBondContact O-N 3.37Å
296K43.1Very low53.3Low202 Ų202121.8 Ų121.888%0.87862%0.621SS**  trans-42.7112.4170.2-80-174173.5-175.90107.5P294 R298P294-K296 PolarHBondContact O-N 3.28Å; P294-K296 VanDerWaalsContact O-N 3.09Å; K296-R298 PolarHBondContact O-N 3.3Å
297L43.8Very low50.8Low169 Ų169126.6 Ų126.689%0.88564%0.638SS**  trans-53.1112.8166.7-106.4104.8000105.7S295 Q299S295-L297 PolarHBondContact O-N 3.37Å; L297-Q299 PolarHBondContact O-N 3.04Å
298R39.2Very low48.5Very low236 Ų236130.4 Ų130.489%0.89166%0.656SS**  trans-61.3107.2170.1-171.8175.8-172.2171.90.9105.3K296 S300K296-R298 PolarHBondContact O-N 3.3Å; R298-S300 VanDerWaalsContact C-N 3.34Å; R298-S300 PolarHBondContact O-N 3.21Å
299Q38.3Very low46.7Very low185 Ų185136.8 Ų136.886%0.86470%0.695SS**  trans-56.898174.7-151.7167.22.200107L297 N301L297-Q299 PolarHBondContact O-N 3.04Å; Q299-N301 PolarHBondContact O-N 3.11Å
300S33.6Very low44.7Very low108 Ų108140 Ų14076%0.75572%0.724SS**  trans-77.3106.5169.353.90000106.6R298R298-S300 VanDerWaalsContact C-N 3.34Å; R298-S300 PolarHBondContact O-N 3.21Å
301N30.3Very low42.7Very low141 Ų141141.4 Ų141.475%0.75473%0.732SS**  trans-48.4137.1167.8-95-14000110.4Q299Q299-N301 PolarHBondContact O-N 3.11Å
302P47.2Very low41Very low118 Ų118140 Ų14077%0.76674%0.744SS**  trans-94.296.116733.8-22.7000108.2
303E38.8Very low39.7Very low164 Ų164149.1 Ų149.177%0.76679%0.785SS**  trans-162.4135.9166.7-116.7166.7-163.600112.1
304F30.8Very low38.6Very low189 Ų189147.9 Ų147.983%0.82982%0.818SS**  trans75.6121171.9-79.8-112.4000116.7
305C35.4Very low37.9Very low106 Ų106151.1 Ų151.172%0.71683%0.832SS**  cis-157.6161.621.6-109.70000112.2
306P47Very low37.4Very low111 Ų111154.1 Ų154.172%0.72184%0.841SS**  trans-91.8179.6175.438.6-32000113
307E31.9Very low37.1Very low161 Ų161151.4 Ų151.475%0.75284%0.839SS**  trans86.7126.3165.6-150.8166.5136.800114.7
308K31.8Very low36.7Very low171 Ų171150.4 Ų150.474%0.74384%0.837SS**  cis-158.8134.636.1-152.6172-119.5-179.60110.8
309V41Very low36.5Very low138 Ų138145.1 Ų145.184%0.83683%0.833SS**  trans-75.8128.3161.4173.60000107.6
310A36.3Very low36.4Very low97 Ų97142.4 Ų142.480%0.80283%0.831SS**  trans-126.3105.2161.400000108.4
311L36.8Very low36.6Very low162 Ų162144.9 Ų144.985%0.84884%0.837SS**  trans-75.2131.8163.3-169.7107.4000107.9
312A34.9Very low37.1Very low96 Ų96145.2 Ų145.279%0.79384%0.843SS**  trans-161.799.2151.600000109.5
313E35.3Very low36.3Very low197 Ų197147.4 Ų147.492%0.92185%0.849SS**  trans-71.5128.3148-81.7178.8128.400108.2
314A35Very low36Very low177 Ų177145.9 Ų145.9100%1.46386%0.857SS**  trans-160.90143.200000108.1

Retrieved 314 of 314 residues in 89.5 ms (Link to these results)

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