A0A077ZCV5_TRITR Loading...

Metallophos domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCV5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 240 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
1M63.9Low69.1Low188 Ų188126.7 Ų126.793%0.92663%0.625SS**  0-50.60-149.6159.179.900113.2S3 V4 L5M1-S3 PolarHBondContact O-N 3.48Å; M1-V4 PolarHBondContact O-N 3.49Å; M1-L5 HydrophobicContact CG-CD1 4.44Å; M1-L5 PolarHBondContact O-N 2.94Å; M1-L5 VanDerWaalsContact O-N 3.14Å
2H70.8Confident69.1Low155 Ų155129.7 Ų129.772%0.71863%0.632SS**Hα-helixtrans-60.6-39.1-177.9-75-67.6000116.2V4 L5 R6H2-V4 VanDerWaalsContact C-N 3.33Å; H2-V4 PolarHBondContact O-N 3.06Å; H2-L5 PolarHBondContact O-N 3.41Å; H2-R6 PolarHBondContact O-N 3.45Å; H2-R6 VanDerWaalsContact O-N 3.09Å
3S72.3Confident69.6Low82 Ų82125.4 Ų125.457%0.57362%0.618SS**Hα-helixtrans-67-35.3178.4660000112.6M1 R7M1-S3 PolarHBondContact O-N 3.48Å; S3-R7 WeakPolarHBondContact O-CG 3.34Å; S3-R7 PolarHBondContact O-N 3.09Å
4V71.5Confident70.2Confident75 Ų75119.4 Ų119.446%0.45560%0.598SS.*Hα-helixtrans-66.3-47.6176.4176.10000110M1 H2 R6 R7 F8M1-V4 PolarHBondContact O-N 3.49Å; H2-V4 VanDerWaalsContact C-N 3.33Å; H2-V4 PolarHBondContact O-N 3.06Å; V4-R6 PolarHBondContact O-N 3.46Å; V4-R7 PolarHBondContact O-N 3.46Å; V4-F8 HydrophobicContact CG1-CD2 3.55Å; V4-F8 HydrophobicContact CG1-CE2 3.32Å; V4-F8 WeakPolarHBondContact O-CD2 3.49Å; V4-F8 PolarHBondContact O-N 3.01Å
5L70.1Confident71.1Confident99 Ų99115.5 Ų115.552%0.51859%0.587SS.*Hα-helixtrans-61-40.3176.5-70.7170000113.1M1 H2 F8 S9M1-L5 HydrophobicContact CG-CD1 4.44Å; M1-L5 PolarHBondContact O-N 2.94Å; M1-L5 VanDerWaalsContact O-N 3.14Å; H2-L5 PolarHBondContact O-N 3.41Å; L5-F8 PolarHBondContact O-N 3Å; L5-S9 WeakPolarHBondContact O-CB 3.43Å; L5-S9 PolarHBondContact O-N 3.39Å
6R69.8Low72.2Confident200 Ų200110.1 Ų110.176%0.75557%0.568SS**Hα-helixtrans-65.4-40174.7-76.4-172.6179.3-170.20.8112.5H2 V4 S9 T10H2-R6 PolarHBondContact O-N 3.45Å; H2-R6 VanDerWaalsContact O-N 3.09Å; V4-R6 PolarHBondContact O-N 3.46Å; R6-S9 PolarHBondContact O-N 2.97Å; R6-T10 WeakPolarHBondContact O-CG2 3.39Å; R6-T10 PolarHBondContact O-N 3.49Å; R6-T10 PolarHBondContact O-OG1 3.42Å
7R65.5Low73.3Confident183 Ų183113.8 Ų113.869%0.69157%0.573SS**Hα-helixtrans-64.3-42.7174-77.8-174.4179.4-156.30.9111.8S3 V4 T10 I11S3-R7 WeakPolarHBondContact O-CG 3.34Å; S3-R7 PolarHBondContact O-N 3.09Å; V4-R7 PolarHBondContact O-N 3.46Å; R7-T10 WeakPolarHBondContact CA-OG1 3.48Å; R7-T10 PolarHBondContact O-N 2.92Å; R7-T10 PolarHBondContact O-OG1 3.14Å; R7-I11 WeakPolarHBondContact O-CB 3.47Å; R7-I11 VanDerWaalsContact O-CG1 3.26Å; R7-I11 WeakPolarHBondContact O-CG1 3.17Å; R7-I11 PolarHBondContact O-N 3.29Å
8F66.3Low74.4Confident138 Ų138117.3 Ų117.361%0.60558%0.579SS**Hα-helixtrans-62.6-45.8174.9-82.6-68.1000112.3V4 L5 T10 I11 F12V4-F8 HydrophobicContact CG1-CD2 3.55Å; V4-F8 HydrophobicContact CG1-CE2 3.32Å; V4-F8 WeakPolarHBondContact O-CD2 3.49Å; V4-F8 PolarHBondContact O-N 3.01Å; L5-F8 PolarHBondContact O-N 3Å; F8-T10 PolarHBondContact O-N 3.41Å; F8-I11 PolarHBondContact O-N 3.35Å; F8-F12 WeakPolarHBondContact O-CB 3.3Å; F8-F12 PolarHBondContact O-N 2.95Å
9S70Confident75.5Confident72 Ų72117.2 Ų117.250%0.50358%0.58SS.*Hα-helixtrans-60.7-43.7177.5177.10000112.3L5 R6 F12 V13L5-S9 WeakPolarHBondContact O-CB 3.43Å; L5-S9 PolarHBondContact O-N 3.39Å; R6-S9 PolarHBondContact O-N 2.97Å; S9-F12 PolarHBondContact O-N 2.82Å; S9-V13 WeakPolarHBondContact O-CB 3.25Å; S9-V13 VanDerWaalsContact O-CG2 3.25Å; S9-V13 WeakPolarHBondContact O-CG2 3.48Å; S9-V13 PolarHBondContact O-N 2.98Å
10T67.5Low76.5Confident90 Ų90117.6 Ų117.655%0.55258%0.584SS**Hα-helixtrans-67.2-40.9177.944.30000113R6 R7 F8 V13 A14R6-T10 WeakPolarHBondContact O-CG2 3.39Å; R6-T10 PolarHBondContact O-N 3.49Å; R6-T10 PolarHBondContact O-OG1 3.42Å; R7-T10 WeakPolarHBondContact CA-OG1 3.48Å; R7-T10 PolarHBondContact O-N 2.92Å; R7-T10 PolarHBondContact O-OG1 3.14Å; F8-T10 PolarHBondContact O-N 3.41Å; T10-V13 PolarHBondContact O-N 2.9Å; T10-A14 WeakPolarHBondContact O-CB 3.26Å; T10-A14 PolarHBondContact O-N 3.2Å
11I72Confident77.4Confident112 Ų112116.7 Ų116.757%0.57458%0.581SS**Hα-helixtrans-63-43.3174.1-68.6166.6000110.9R7 F8 A14 S15R7-I11 WeakPolarHBondContact O-CB 3.47Å; R7-I11 VanDerWaalsContact O-CG1 3.26Å; R7-I11 WeakPolarHBondContact O-CG1 3.17Å; R7-I11 PolarHBondContact O-N 3.29Å; F8-I11 PolarHBondContact O-N 3.35Å; I11-A14 PolarHBondContact O-N 3.28Å; I11-S15 PolarHBondContact O-N 2.95Å; I11-S15 PolarHBondContact O-OG 3.02Å
12F69.9Low78.9Confident162 Ų162111.4 Ų111.471%0.71156%0.559SS**Hα-helixtrans-67.6-37.9-179.6-154.9-88.9000112.4F8 S9 S15 G16F8-F12 WeakPolarHBondContact O-CB 3.3Å; F8-F12 PolarHBondContact O-N 2.95Å; S9-F12 PolarHBondContact O-N 2.82Å; F12-S15 WeakPolarHBondContact CA-OG 3.37Å; F12-S15 PolarHBondContact O-OG 3.35Å; F12-G16 PolarHBondContact O-N 3.24Å
13V75.3Confident80.2Confident74 Ų74107.9 Ų107.945%0.44855%0.548SS..Hα-helixtrans-67.3-40.8172.8171.50000110.8S9 T10 G16 R17S9-V13 WeakPolarHBondContact O-CB 3.25Å; S9-V13 VanDerWaalsContact O-CG2 3.25Å; S9-V13 WeakPolarHBondContact O-CG2 3.48Å; S9-V13 PolarHBondContact O-N 2.98Å; T10-V13 PolarHBondContact O-N 2.9Å; V13-G16 PolarHBondContact O-N 3.48Å; V13-R17 WeakPolarHBondContact O-CG 3.33Å; V13-R17 PolarHBondContact O-N 2.97Å
14A77.2Confident81.4Confident42 Ų42106.6 Ų106.635%0.34754%0.542SS..Hα-helixtrans-64.6-45.6176.800000111.7T10 I11 G16 R17 W18T10-A14 WeakPolarHBondContact O-CB 3.26Å; T10-A14 PolarHBondContact O-N 3.2Å; I11-A14 PolarHBondContact O-N 3.28Å; A14-G16 VanDerWaalsContact C-N 3.34Å; A14-G16 PolarHBondContact O-N 3.44Å; A14-R17 PolarHBondContact O-N 2.95Å; A14-W18 PolarHBondContact O-N 3.26Å
15S83.7Confident82.6Confident61 Ų61107 Ų10743%0.42755%0.545SS..Hα-helixtrans-63.6-39.2176.363.60000111.9I11 F12 W18 L19I11-S15 PolarHBondContact O-N 2.95Å; I11-S15 PolarHBondContact O-OG 3.02Å; F12-S15 WeakPolarHBondContact CA-OG 3.37Å; F12-S15 PolarHBondContact O-OG 3.35Å; S15-W18 PolarHBondContact O-N 2.92Å; S15-L19 WeakPolarHBondContact O-CB 3.43Å; S15-L19 PolarHBondContact O-N 2.87Å
16G89.2Confident83.9Confident28 Ų28106.8 Ų106.829%0.28954%0.544SS..Hα-helixtrans-60.2-43.3172.900000112.8F12 V13 A14 L19 L20F12-G16 PolarHBondContact O-N 3.24Å; V13-G16 PolarHBondContact O-N 3.48Å; A14-G16 VanDerWaalsContact C-N 3.34Å; A14-G16 PolarHBondContact O-N 3.44Å; G16-L19 PolarHBondContact O-N 2.87Å; G16-L20 VanDerWaalsContact O-CG 3.31Å; G16-L20 WeakPolarHBondContact O-CG 3.31Å; G16-L20 PolarHBondContact O-N 3.26Å
17R91Very high85.2Confident173 Ų173102.7 Ų102.765%0.65353%0.532SS*.Hα-helixtrans-62.6-45.4175.1-73.2175.9-178.2-1680.1112.1V13 A14 L20 L21V13-R17 WeakPolarHBondContact O-CG 3.33Å; V13-R17 PolarHBondContact O-N 2.97Å; A14-R17 PolarHBondContact O-N 2.95Å; R17-L20 PolarHBondContact O-N 3.41Å; R17-L21 VanDerWaalsContact O-CG 3.3Å; R17-L21 WeakPolarHBondContact O-CG 3.27Å; R17-L21 PolarHBondContact O-N 2.84Å
18W93.4Very high86.8Confident178 Ų17898.1 Ų98.167%0.67452%0.517SS*.Hα-helixtrans-62.4-42.3177-75.3114.2000112.2A14 S15 L21 T22A14-W18 PolarHBondContact O-N 3.26Å; S15-W18 PolarHBondContact O-N 2.92Å; W18-L21 HydrophobicContact CE3-CD1 4.35Å; W18-L21 PolarHBondContact O-N 3.45Å; W18-T22 PolarHBondContact O-N 2.91Å; W18-T22 PolarHBondContact O-OG1 3.37Å; W18-T22 VanDerWaalsContact O-OG1 3.04Å
19L94.2Very high88.3Confident115 Ų11595 Ų9560%0.60251%0.507SS*.Hα-helixtrans-60.9-46.9175.6179.662.1000111.6S15 G16 L21 T22 V23S15-L19 WeakPolarHBondContact O-CB 3.43Å; S15-L19 PolarHBondContact O-N 2.87Å; G16-L19 PolarHBondContact O-N 2.87Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L19-L21 PolarHBondContact O-N 3.34Å; L19-T22 PolarHBondContact O-N 3.42Å; L19-V23 HydrophobicContact CD1-CG2 4.35Å; L19-V23 WeakPolarHBondContact O-CG2 3.3Å; L19-V23 PolarHBondContact O-N 3.42Å
20L95.5Very high89.5Confident124 Ų12493 Ų9365%0.64949%0.489SS*.Hα-helixtrans-61.1-41.8177.4-72.9172.8000112.1G16 R17 V23 A24G16-L20 VanDerWaalsContact O-CG 3.31Å; G16-L20 WeakPolarHBondContact O-CG 3.31Å; G16-L20 PolarHBondContact O-N 3.26Å; R17-L20 PolarHBondContact O-N 3.41Å; L20-V23 PolarHBondContact O-N 2.92Å; L20-A24 VanDerWaalsContact O-CB 3.3Å; L20-A24 WeakPolarHBondContact O-CB 3.42Å; L20-A24 PolarHBondContact O-N 3.47Å
21L96Very high90.9Very high100 Ų10092.9 Ų92.952%0.52448%0.479SS..Hα-helixtrans-62.5-45.7175.4-72.2172.6000111.3R17 W18 L19 V23 A24 V25R17-L21 VanDerWaalsContact O-CG 3.3Å; R17-L21 WeakPolarHBondContact O-CG 3.27Å; R17-L21 PolarHBondContact O-N 2.84Å; W18-L21 HydrophobicContact CE3-CD1 4.35Å; W18-L21 PolarHBondContact O-N 3.45Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L19-L21 PolarHBondContact O-N 3.34Å; L21-V23 PolarHBondContact O-N 2.99Å; L21-A24 PolarHBondContact O-N 3.04Å; L21-V25 WeakPolarHBondContact O-CB 3.46Å; L21-V25 VanDerWaalsContact O-CG2 3.27Å; L21-V25 WeakPolarHBondContact O-CG2 3.45Å; L21-V25 PolarHBondContact O-N 3.2Å
22T96.2Very high92.2Very high76 Ų7690.9 Ų90.947%0.46647%0.469SS..Hα-helixtrans-60.4-45.4176.7-60.40000111.5W18 L19 A24 V25 L26W18-T22 PolarHBondContact O-N 2.91Å; W18-T22 PolarHBondContact O-OG1 3.37Å; W18-T22 VanDerWaalsContact O-OG1 3.04Å; L19-T22 PolarHBondContact O-N 3.42Å; T22-A24 PolarHBondContact O-N 3.11Å; T22-V25 PolarHBondContact O-N 3.03Å; T22-L26 HydrophobicContact CG2-CD1 4.13Å; T22-L26 WeakPolarHBondContact O-CB 3.39Å; T22-L26 WeakPolarHBondContact O-CG 3.38Å; T22-L26 PolarHBondContact O-N 3.16Å
23V97.3Very high93.5Very high81 Ų8185.4 Ų85.449%0.49145%0.447SS..Hα-helixtrans-62.5-43176.7171.50000111.2L19 L20 L21 L26 F27L19-V23 HydrophobicContact CD1-CG2 4.35Å; L19-V23 WeakPolarHBondContact O-CG2 3.3Å; L19-V23 PolarHBondContact O-N 3.42Å; L20-V23 PolarHBondContact O-N 2.92Å; L21-V23 PolarHBondContact O-N 2.99Å; V23-L26 PolarHBondContact O-N 2.93Å; V23-F27 VanDerWaalsContact O-CB 3.31Å; V23-F27 WeakPolarHBondContact O-CB 3.25Å; V23-F27 PolarHBondContact O-N 2.91Å
24A97.9Very high94.6Very high55 Ų5583.6 Ų83.646%0.45543%0.433SS..Hα-helixtrans-64-42.2177.900000112.1L20 L21 T22 F27 F28L20-A24 VanDerWaalsContact O-CB 3.3Å; L20-A24 WeakPolarHBondContact O-CB 3.42Å; L20-A24 PolarHBondContact O-N 3.47Å; L21-A24 PolarHBondContact O-N 3.04Å; T22-A24 PolarHBondContact O-N 3.11Å; A24-F27 PolarHBondContact O-N 2.86Å; A24-F28 VanDerWaalsContact O-CB 3.28Å; A24-F28 WeakPolarHBondContact O-CB 3.36Å; A24-F28 PolarHBondContact O-N 3.44Å
25V97.8Very high95.6Very high83 Ų8383.4 Ų83.450%0.50342%0.423SS..Hα-helixtrans-64.4-45.2176.2170.60000110.6L21 T22 F28 N29L21-V25 WeakPolarHBondContact O-CB 3.46Å; L21-V25 VanDerWaalsContact O-CG2 3.27Å; L21-V25 WeakPolarHBondContact O-CG2 3.45Å; L21-V25 PolarHBondContact O-N 3.2Å; T22-V25 PolarHBondContact O-N 3.03Å; V25-F28 PolarHBondContact O-N 3.19Å; V25-N29 WeakPolarHBondContact CG1-ND2 3.35Å; V25-N29 WeakPolarHBondContact O-CB 3.28Å; V25-N29 PolarHBondContact O-N 3.15Å; V25-N29 PolarHBondContact O-ND2 3.39Å
26L96.9Very high96.3Very high95 Ų9583.5 Ų83.550%0.49742%0.421SS..Hα-helixtrans-62.7-48.5176.4-71.4174.1000111.1T22 V23 F28 N29 E30T22-L26 HydrophobicContact CG2-CD1 4.13Å; T22-L26 WeakPolarHBondContact O-CB 3.39Å; T22-L26 WeakPolarHBondContact O-CG 3.38Å; T22-L26 PolarHBondContact O-N 3.16Å; V23-L26 PolarHBondContact O-N 2.93Å; L26-F28 VanDerWaalsContact C-N 3.27Å; L26-F28 PolarHBondContact O-N 3.47Å; L26-N29 PolarHBondContact O-N 3.46Å; L26-E30 VanDerWaalsContact O-CB 3.24Å; L26-E30 WeakPolarHBondContact O-CB 3.37Å; L26-E30 VanDerWaalsContact O-CG 3.25Å; L26-E30 WeakPolarHBondContact O-CG 3.05Å; L26-E30 PolarHBondContact O-N 3.28Å
27F97.6Very high96.7Very high115 Ų11585.9 Ų85.950%0.50443%0.43SS..Hα-helixtrans-58.7-40.4177178.3-105.3000112.2V23 A24 Y31 L32V23-F27 VanDerWaalsContact O-CB 3.31Å; V23-F27 WeakPolarHBondContact O-CB 3.25Å; V23-F27 PolarHBondContact O-N 2.91Å; A24-F27 PolarHBondContact O-N 2.86Å; F27-Y31 HydrophobicContact CD2-CD1 4.46Å; F27-Y31 AromaticContact CE2-CD1 3.6Å; F27-Y31 HydrophobicContact CE2-CD1 3.6Å; F27-Y31 HydrophobicContact CE2-CE1 4.29Å; F27-Y31 HydrophobicContact CE2-CG 4.21Å; F27-Y31 AromaticContact CZ-CD1 3.73Å; F27-Y31 HydrophobicContact CZ-CD1 3.73Å; F27-Y31 HydrophobicContact CZ-CE1 4.26Å; F27-Y31 WeakPolarHBondContact O-CB 3.43Å; F27-Y31 PolarHBondContact O-N 2.92Å; F27-L32 HydrophobicContact CE1-CB 4.39Å; F27-L32 PolarHBondContact O-N 3.09Å; F27-L32 VanDerWaalsContact O-N 3.12Å
28F98Very high97Very high86 Ų8678.8 Ų78.838%0.37741%0.405SS..Iπ-helixtrans-62.9-51.5176.4-176.9-97.8000111.9A24 V25 L26 L32 I33A24-F28 VanDerWaalsContact O-CB 3.28Å; A24-F28 WeakPolarHBondContact O-CB 3.36Å; A24-F28 PolarHBondContact O-N 3.44Å; V25-F28 PolarHBondContact O-N 3.19Å; L26-F28 VanDerWaalsContact C-N 3.27Å; L26-F28 PolarHBondContact O-N 3.47Å; F28-L32 HydrophobicContact CD2-CB 4.13Å; F28-L32 HydrophobicContact CD2-CD2 3.94Å; F28-L32 HydrophobicContact CD2-CG 4.34Å; F28-L32 HydrophobicContact CE2-CD2 4.35Å; F28-L32 PolarHBondContact O-N 3.22Å; F28-I33 HydrophobicContact CE1-CB 4.31Å; F28-I33 HydrophobicContact CE1-CD1 3.88Å; F28-I33 HydrophobicContact CE1-CG1 4.48Å; F28-I33 HydrophobicContact CZ-CD1 3.8Å; F28-I33 WeakPolarHBondContact O-CB 3.41Å; F28-I33 WeakPolarHBondContact O-CG2 3.24Å; F28-I33 PolarHBondContact O-N 3.3Å
29N97.2Very high97.2Very high73 Ų7379.5 Ų79.539%0.3941%0.408SS..Iπ-helixtrans-77-30.7-174-72.3-78.9000113.8V25 L26 I33V25-N29 WeakPolarHBondContact CG1-ND2 3.35Å; V25-N29 WeakPolarHBondContact O-CB 3.28Å; V25-N29 PolarHBondContact O-N 3.15Å; V25-N29 PolarHBondContact O-ND2 3.39Å; L26-N29 PolarHBondContact O-N 3.46Å; N29-I33 VanDerWaalsContact O-CG2 3.25Å; N29-I33 WeakPolarHBondContact O-CG2 3.25Å
30E96.5Very high97.3Very high31 Ų3181 Ų8115%0.14541%0.412CS..Iπ-helixtrans-86.8-18-179.4-62.5-37124.800114.1L26 R76 W79L26-E30 VanDerWaalsContact O-CB 3.24Å; L26-E30 WeakPolarHBondContact O-CB 3.37Å; L26-E30 VanDerWaalsContact O-CG 3.25Å; L26-E30 WeakPolarHBondContact O-CG 3.05Å; L26-E30 PolarHBondContact O-N 3.28Å; E30-R76 IonicContact OE1-CZ 2.95Å; E30-R76 IonicContact OE1-NH1 2.63Å; E30-R76 PolarHBondContact OE1-NH1 3.28Å; E30-R76 IonicContact OE1-NH2 2.63Å; E30-R76 PolarHBondContact OE1-NH2 3.48Å; E30-R76 IonicContact OE2-CZ 2.81Å; E30-R76 IonicContact OE2-NE 3.42Å; E30-R76 PolarHBondContact OE2-NE 2.5Å; E30-R76 IonicContact OE2-NH1 2.79Å; E30-R76 PolarHBondContact OE2-NH1 2.89Å; E30-R76 IonicContact OE2-NH2 3.03Å; E30-R76 PolarHBondContact OE2-NH2 3.23Å; E30-W79 PolarHBondContact O-NE1 2.83Å
31Y97.1Very high97.3Very high86 Ų8678.5 Ų78.534%0.33740%0.404SS..Iπ-helixtrans-142.1-59.5-170.1-173.6-99.8000113.3F27 I33 Y35 V83F27-Y31 HydrophobicContact CD2-CD1 4.46Å; F27-Y31 AromaticContact CE2-CD1 3.6Å; F27-Y31 HydrophobicContact CE2-CD1 3.6Å; F27-Y31 HydrophobicContact CE2-CE1 4.29Å; F27-Y31 HydrophobicContact CE2-CG 4.21Å; F27-Y31 AromaticContact CZ-CD1 3.73Å; F27-Y31 HydrophobicContact CZ-CD1 3.73Å; F27-Y31 HydrophobicContact CZ-CE1 4.26Å; F27-Y31 WeakPolarHBondContact O-CB 3.43Å; F27-Y31 PolarHBondContact O-N 2.92Å; Y31-I33 PolarHBondContact O-N 2.88Å; Y31-Y35 HydrophobicContact CE1-CE2 4.09Å; Y31-Y35 HydrophobicContact CE2-CE2 4.24Å; Y31-Y35 AromaticContact CZ-CE2 3.82Å; Y31-V83 HydrophobicContact CD2-CG1 4.19Å
32L98Very high97.3Very high70 Ų7079 Ų7937%0.36642%0.416SS..Iπ-helixtrans-69.1-34.1-169.5-168.460.9000113.5F27 F28 Y34 Y35 V36F27-L32 HydrophobicContact CE1-CB 4.39Å; F27-L32 PolarHBondContact O-N 3.09Å; F27-L32 VanDerWaalsContact O-N 3.12Å; F28-L32 HydrophobicContact CD2-CB 4.13Å; F28-L32 HydrophobicContact CD2-CD2 3.94Å; F28-L32 HydrophobicContact CD2-CG 4.34Å; F28-L32 HydrophobicContact CE2-CD2 4.35Å; F28-L32 PolarHBondContact O-N 3.22Å; L32-Y34 PolarHBondContact O-N 2.95Å; L32-Y35 WeakPolarHBondContact O-CB 3.48Å; L32-Y35 PolarHBondContact O-N 3.26Å; L32-Y35 VanDerWaalsContact O-N 3.09Å; L32-V36 HydrophobicContact CG-CG2 4.41Å; L32-V36 PolarHBondContact O-N 3.49Å; L32-V36 VanDerWaalsContact O-N 3.15Å
33I98Very high97.1Very high48 Ų4878.7 Ų78.725%0.24641%0.406CS..Hα-helixtrans-58.5-35.2-176.4-172.460.1000112.3F28 N29 Y31 Y35 V36 V37F28-I33 HydrophobicContact CE1-CB 4.31Å; F28-I33 HydrophobicContact CE1-CD1 3.88Å; F28-I33 HydrophobicContact CE1-CG1 4.48Å; F28-I33 HydrophobicContact CZ-CD1 3.8Å; F28-I33 WeakPolarHBondContact O-CB 3.41Å; F28-I33 WeakPolarHBondContact O-CG2 3.24Å; F28-I33 PolarHBondContact O-N 3.3Å; N29-I33 VanDerWaalsContact O-CG2 3.25Å; N29-I33 WeakPolarHBondContact O-CG2 3.25Å; Y31-I33 PolarHBondContact O-N 2.88Å; I33-Y35 PolarHBondContact O-N 3.35Å; I33-V36 PolarHBondContact O-N 2.85Å; I33-V37 HydrophobicContact CD1-CG2 4.03Å; I33-V37 HydrophobicContact CG1-CG2 4.19Å; I33-V37 WeakPolarHBondContact O-CG2 3.45Å; I33-V37 PolarHBondContact O-N 3.27Å
34Y98Very high96.7Very high36 Ų3679.8 Ų79.814%0.14142%0.415CS..Hα-helixtrans-62.2-43.6177.5-62.9-79.5000111.4L32 V36 V37 V38 Q80 V83 A84L32-Y34 PolarHBondContact O-N 2.95Å; Y34-V36 VanDerWaalsContact C-N 3.33Å; Y34-V36 PolarHBondContact O-N 2.81Å; Y34-V37 PolarHBondContact O-N 3.4Å; Y34-V38 WeakPolarHBondContact O-CB 3.4Å; Y34-V38 WeakPolarHBondContact O-CG2 3.4Å; Y34-V38 PolarHBondContact O-N 2.77Å; Y34-Q80 VanDerWaalsContact OH-CB 3.27Å; Y34-Q80 WeakPolarHBondContact OH-CB 3.31Å; Y34-Q80 WeakPolarHBondContact OH-CG 3.48Å; Y34-Q80 PolarHBondContact OH-NE2 3.19Å; Y34-V83 HydrophobicContact CD2-CB 4.36Å; Y34-V83 HydrophobicContact CD2-CG1 3.54Å; Y34-V83 HydrophobicContact CE2-CG1 4.1Å; Y34-V83 HydrophobicContact CG-CG1 3.97Å; Y34-A84 HydrophobicContact CD1-CB 3.66Å; Y34-A84 HydrophobicContact CE1-CB 3.84Å
35Y98.2Very high96.1Very high37 Ų3786.3 Ų86.315%0.14544%0.436CS..Hα-helixtrans-64.6-39.1175.7-77.6-95.7000111.9Y31 L32 I33 R39 T87 K90 L91Y31-Y35 HydrophobicContact CE1-CE2 4.09Å; Y31-Y35 HydrophobicContact CE2-CE2 4.24Å; Y31-Y35 AromaticContact CZ-CE2 3.82Å; L32-Y35 WeakPolarHBondContact O-CB 3.48Å; L32-Y35 PolarHBondContact O-N 3.26Å; L32-Y35 VanDerWaalsContact O-N 3.09Å; I33-Y35 PolarHBondContact O-N 3.35Å; Y35-R39 WeakPolarHBondContact O-CB 3.38Å; Y35-R39 PolarHBondContact O-N 2.91Å; Y35-R39 VanDerWaalsContact O-N 3.16Å; Y35-T87 HydrophobicContact CD1-CG2 3.92Å; Y35-T87 HydrophobicContact CD2-CG2 3.89Å; Y35-T87 HydrophobicContact CE1-CG2 4.12Å; Y35-T87 HydrophobicContact CE2-CG2 4.09Å; Y35-T87 WeakPolarHBondContact CE2-OG1 3.32Å; Y35-T87 HydrophobicContact CG-CG2 3.8Å; Y35-K90 HydrophobicContact CE1-CD 4.21Å; Y35-K90 PolarHBondContact OH-NZ 2.81Å; Y35-L91 HydrophobicContact CD1-CD1 3.93Å; Y35-L91 HydrophobicContact CD1-CD2 4.14Å; Y35-L91 HydrophobicContact CD1-CG 4.21Å; Y35-L91 HydrophobicContact CE1-CD2 4.34Å; Y35-L91 HydrophobicContact CE1-CG 4.43Å
36V98.1Very high95.4Very high63 Ų6384.1 Ų84.138%0.38243%0.426SS..Hα-helixtrans-64.3-46.4178.51740000111.1L32 I33 Y34 Q40L32-V36 HydrophobicContact CG-CG2 4.41Å; L32-V36 PolarHBondContact O-N 3.49Å; L32-V36 VanDerWaalsContact O-N 3.15Å; I33-V36 PolarHBondContact O-N 2.85Å; Y34-V36 VanDerWaalsContact C-N 3.33Å; Y34-V36 PolarHBondContact O-N 2.81Å; V36-Q40 WeakPolarHBondContact O-CG 3.17Å; V36-Q40 PolarHBondContact O-NE2 3.49Å
37V97.9Very high94.4Very high78 Ų7885.4 Ų85.447%0.47344%0.441SS..Hα-helixtrans-74.5-51.5-177.1174.90000110.9I33 Y34 R39 Q40I33-V37 HydrophobicContact CD1-CG2 4.03Å; I33-V37 HydrophobicContact CG1-CG2 4.19Å; I33-V37 WeakPolarHBondContact O-CG2 3.45Å; I33-V37 PolarHBondContact O-N 3.27Å; Y34-V37 PolarHBondContact O-N 3.4Å; V37-R39 VanDerWaalsContact C-N 3.27Å; V37-R39 PolarHBondContact O-N 2.79Å; V37-Q40 WeakPolarHBondContact O-CB 3.5Å; V37-Q40 PolarHBondContact O-N 3.29Å
38V97.1Very high93.4Very high24 Ų2485.3 Ų85.315%0.14545%0.446CS..Hα-helixtrans-63.2-34.4-175.9173.50000111.6Y34 Q40 C41 T87 A88 L91 H92Y34-V38 WeakPolarHBondContact O-CB 3.4Å; Y34-V38 WeakPolarHBondContact O-CG2 3.4Å; Y34-V38 PolarHBondContact O-N 2.77Å; V38-Q40 PolarHBondContact O-N 3.19Å; V38-C41 WeakPolarHBondContact O-CB 3.17Å; V38-C41 PolarHBondContact O-N 3.12Å; V38-C41 VanDerWaalsContact O-N 3.11Å; V38-T87 HydrophobicContact CB-CG2 4.1Å; V38-T87 HydrophobicContact CG1-CG2 4.33Å; V38-T87 HydrophobicContact CG2-CG2 4.26Å; V38-A88 HydrophobicContact CG1-CB 4.39Å; V38-L91 HydrophobicContact CB-CD1 4.22Å; V38-L91 HydrophobicContact CG1-CB 4.4Å; V38-L91 HydrophobicContact CG1-CD1 4.04Å; V38-H92 VanDerWaalsContact CG1-CD2 3.45Å; V38-H92 WeakPolarHBondContact CG1-CD2 3.22Å; V38-H92 PolarHBondContact O-NE2 2.8Å
39R97.2Very high92.3Very high193 Ų19390 Ų9073%0.72847%0.468SS*.THydrogen-bonded Turntrans-62.7-21.7176.4-174.6179.1-178.697.72.6113.5Y35 V37 C41 L91Y35-R39 WeakPolarHBondContact O-CB 3.38Å; Y35-R39 PolarHBondContact O-N 2.91Å; Y35-R39 VanDerWaalsContact O-N 3.16Å; V37-R39 VanDerWaalsContact C-N 3.27Å; V37-R39 PolarHBondContact O-N 2.79Å; R39-C41 VanDerWaalsContact C-N 3.29Å; R39-L91 HydrophobicContact CB-CD1 4.16Å
40Q97.3Very high91.2Very high147 Ų14790.2 Ų90.269%0.68749%0.488SS*.THydrogen-bonded Turntrans-79.4-14.5178.4-63.2168.738.400112.5V36 V37 V38V36-Q40 WeakPolarHBondContact O-CG 3.17Å; V36-Q40 PolarHBondContact O-NE2 3.49Å; V37-Q40 WeakPolarHBondContact O-CB 3.5Å; V37-Q40 PolarHBondContact O-N 3.29Å; V38-Q40 PolarHBondContact O-N 3.19Å
41C96.1Very high90.2Very high72 Ų7290.7 Ų90.749%0.48650%0.495SS..  trans-74.8159.9175.3-56.90000111V38 R39 H92V38-C41 WeakPolarHBondContact O-CB 3.17Å; V38-C41 PolarHBondContact O-N 3.12Å; V38-C41 VanDerWaalsContact O-N 3.11Å; R39-C41 VanDerWaalsContact C-N 3.29Å; C41-H92 PolarHBondContact O-CE1 2.91Å; C41-H92 VanDerWaalsContact O-CE1 3.29Å
42S94.8Very high89.8Confident109 Ų10990.4 Ų90.476%0.76250%0.495SS*.  trans-145.7150.1173.5-69.40000109.5
43W93.1Very high89.5Confident70 Ų7088.4 Ų88.427%0.26549%0.485SS..PPolyproline II helixtrans-66.9140.9173.8-67.1113.8000110.6N54 S55 H92 P94W43-N54 HydrophobicContact CD2-CB 3.9Å; W43-N54 HydrophobicContact CE3-CB 4.2Å; W43-N54 HydrophobicContact CG-CB 4.48Å; W43-N54 HydrophobicContact CH2-CB 4.09Å; W43-N54 HydrophobicContact CZ2-CB 3.74Å; W43-N54 HydrophobicContact CZ3-CB 4.31Å; W43-N54 PolarHBondContact NE1-ND2 2.94Å; W43-S55 WeakPolarHBondContact CZ3-O 3.44Å; W43-H92 HydrophobicContact CZ2-CB 3.64Å; W43-H92 PolarHBondContact NE1-O 3.33Å; W43-P94 HydrophobicContact CH2-CB 3.93Å; W43-P94 HydrophobicContact CZ2-CB 3.95Å
44P87.7Confident89.3Confident105 Ų10587.4 Ų87.468%0.68248%0.48SS*.PPolyproline II helixtrans-63.4151.6169.928.7-33.3000110.4
45E86Confident89Confident192 Ų19287.1 Ų87.190%0.89748%0.483SS*.PPolyproline II helixtrans-70.1133.2176.6-66.9-177.1178.300110.6
46A81.9Confident88.9Confident36 Ų3687.3 Ų87.330%0.29849%0.486SS..PPolyproline II helixtrans-86.3141.9172.500000109.3N48 K52A46-N48 PolarHBondContact O-N 3Å; A46-K52 HydrophobicContact CB-CB 3.82Å; A46-K52 HydrophobicContact CB-CG 4.03Å
47P77.1Confident88.7Confident122 Ų12287.1 Ų87.179%0.79248%0.483SS*.SBendtrans-57.3-33.7178.1-25.633.7000113.7
48N76.9Confident88.5Confident114 Ų11485.6 Ų85.661%0.6147%0.472SS*.SBendtrans-134.8136.9173.9-64.8-49.7000109.3A46 G50 S51 K52A46-N48 PolarHBondContact O-N 3Å; N48-G50 PolarHBondContact O-N 2.63Å; N48-S51 PolarHBondContact O-N 3.42Å; N48-S51 VanDerWaalsContact O-N 3.1Å; N48-S51 PolarHBondContact O-OG 3.03Å; N48-K52 PolarHBondContact O-N 2.63Å
49E73.5Confident88.2Confident183 Ų18386.2 Ų86.286%0.85548%0.48SS*.G310 helixtrans-59.4-36.3178.4-70-170.6160.500112.5S51 K52E49-S51 PolarHBondContact O-N 3.2Å; E49-K52 VanDerWaalsContact O-CB 3.3Å; E49-K52 WeakPolarHBondContact O-CB 3.27Å; E49-K52 PolarHBondContact O-N 2.79Å; E49-K52 VanDerWaalsContact O-N 3.1Å
50G75.7Confident88Confident78 Ų7878.9 Ų78.980%0.80446%0.455SS*.G310 helixtrans-64.8-19.8178.900000114.6N48N48-G50 PolarHBondContact O-N 2.63Å
51S74.6Confident87.9Confident41 Ų4172.5 Ų72.529%0.28743%0.426SS..G310 helixtrans-105.411.7176.563.10000112.8N48 E49 L53N48-S51 PolarHBondContact O-N 3.42Å; N48-S51 VanDerWaalsContact O-N 3.1Å; N48-S51 PolarHBondContact O-OG 3.03Å; E49-S51 PolarHBondContact O-N 3.2Å; S51-L53 PolarHBondContact O-N 3.01Å
52K88Confident87.9Confident80 Ų8071.4 Ų71.435%0.34841%0.414SS..  trans-72.7122.7178.9-172.9173-179.3173.70110.3A46 N48 E49 N54 K171A46-K52 HydrophobicContact CB-CB 3.82Å; A46-K52 HydrophobicContact CB-CG 4.03Å; N48-K52 PolarHBondContact O-N 2.63Å; E49-K52 VanDerWaalsContact O-CB 3.3Å; E49-K52 WeakPolarHBondContact O-CB 3.27Å; E49-K52 PolarHBondContact O-N 2.79Å; E49-K52 VanDerWaalsContact O-N 3.1Å; K52-N54 WeakPolarHBondContact CE-OD1 3.25Å; K52-K171 WeakPolarHBondContact O-CD 3.12Å; K52-K171 PolarHBondContact O-NZ 3.49Å
53L91.5Very high88Confident28 Ų2866.2 Ų66.215%0.14738%0.377CS..  trans-130.9104.5171.7-17871.9000109.2S51 S55 E95 V96 L170 K171 L173 F175S51-L53 PolarHBondContact O-N 3.01Å; L53-S55 PolarHBondContact O-N 3.34Å; L53-S55 VanDerWaalsContact O-N 3.09Å; L53-S55 PolarHBondContact O-OG 2.98Å; L53-E95 WeakPolarHBondContact CA-OE2 3.44Å; L53-E95 HydrophobicContact CD1-CB 3.79Å; L53-E95 HydrophobicContact CD1-CG 4.5Å; L53-V96 HydrophobicContact CD1-CG1 4.47Å; L53-V96 HydrophobicContact CD2-CG1 4.19Å; L53-V96 HydrophobicContact CG-CG1 4.31Å; L53-L170 HydrophobicContact CD1-CB 4.41Å; L53-L170 HydrophobicContact CD2-CB 3.59Å; L53-L170 HydrophobicContact CD2-CD1 4.04Å; L53-L170 HydrophobicContact CD2-CG 4.48Å; L53-K171 HydrophobicContact CB-CD 4.45Å; L53-K171 HydrophobicContact CD1-CD 4.02Å; L53-K171 HydrophobicContact CD1-CG 4.3Å; L53-L173 HydrophobicContact CB-CD1 3.89Å; L53-L173 HydrophobicContact CD2-CD1 4.29Å; L53-F175 HydrophobicContact CD2-CE2 3.5Å; L53-F175 VanDerWaalsContact CD2-CE2 3.5Å; L53-F175 HydrophobicContact CD2-CZ 3.54Å
54N94Very high88.1Confident28 Ų2863.6 Ų63.615%0.1537%0.369CS..  trans-74.5102.9178-73-12.4000109.3W43 K52 P94 E95W43-N54 HydrophobicContact CD2-CB 3.9Å; W43-N54 HydrophobicContact CE3-CB 4.2Å; W43-N54 HydrophobicContact CG-CB 4.48Å; W43-N54 HydrophobicContact CH2-CB 4.09Å; W43-N54 HydrophobicContact CZ2-CB 3.74Å; W43-N54 HydrophobicContact CZ3-CB 4.31Å; W43-N54 PolarHBondContact NE1-ND2 2.94Å; K52-N54 WeakPolarHBondContact CE-OD1 3.25Å; N54-P94 CarbonylContact O-C 3.59Å; N54-P94 WeakPolarHBondContact O-CA 3.07Å; N54-E95 PolarHBondContact N-OE2 3.18Å; N54-E95 PolarHBondContact O-N 2.88Å
55S93.5Very high88.5Confident29 Ų2958.8 Ų58.820%0.20334%0.338CS..EExtended strand (participates in β ladder)trans-110.2123.9-175.3-51.90000109.9W43 L53 V96W43-S55 WeakPolarHBondContact CZ3-O 3.44Å; L53-S55 PolarHBondContact O-N 3.34Å; L53-S55 VanDerWaalsContact O-N 3.09Å; L53-S55 PolarHBondContact O-OG 2.98Å; S55-V96 WeakPolarHBondContact OG-CG1 3.38Å
56L94.9Very high89Confident41 Ų4153.4 Ų53.422%0.21532%0.318CS..EExtended strand (participates in β ladder)trans-88.7133.1170.2-179.862.9000109.1F85 A88 L89 P94 V96 V97 F98L56-F85 HydrophobicContact CD2-CD2 4.15Å; L56-F85 HydrophobicContact CD2-CE2 3.94Å; L56-A88 HydrophobicContact CD2-CB 4.21Å; L56-L89 HydrophobicContact CD2-CD2 4.39Å; L56-P94 HydrophobicContact CB-CB 3.9Å; L56-P94 HydrophobicContact CB-CG 4.07Å; L56-P94 HydrophobicContact CD2-CG 4.45Å; L56-V96 PolarHBondContact N-O 2.72Å; L56-V97 HydrophobicContact CB-CG2 4.23Å; L56-V97 HydrophobicContact CD2-CG1 4.48Å; L56-V97 HydrophobicContact CD2-CG2 4.31Å; L56-V97 CarbonylContact O-C 3.53Å; L56-V97 VanDerWaalsContact O-CA 3.29Å; L56-V97 WeakPolarHBondContact O-CA 3.32Å; L56-F98 PolarHBondContact O-N 3Å
57I93.5Very high89.6Confident60 Ų6058.2 Ų58.231%0.30833%0.329SS..EExtended strand (participates in β ladder)trans-115.9122.9175.9-57.9173.9000107.7F98 L100 Y221 L236I57-F98 CarbonylContact C-O 3.58Å; I57-F98 WeakPolarHBondContact CA-O 3.43Å; I57-F98 HydrophobicContact CG1-CB 4.46Å; I57-L100 HydrophobicContact CG2-CD1 3.57Å; I57-L100 HydrophobicContact CG2-CD2 4.37Å; I57-L100 HydrophobicContact CG2-CG 3.78Å; I57-Y221 HydrophobicContact CD1-CD1 3.56Å; I57-Y221 HydrophobicContact CD1-CD2 4.17Å; I57-Y221 HydrophobicContact CD1-CE1 3.8Å; I57-Y221 HydrophobicContact CD1-CE2 4.38Å; I57-Y221 HydrophobicContact CD1-CG 3.75Å; I57-L236 HydrophobicContact CD1-CD2 4.04Å; I57-L236 HydrophobicContact CG1-CD2 4.37Å
58L93.7Very high90.3Very high45 Ų4561.8 Ų61.824%0.23633%0.326CS..EExtended strand (participates in β ladder)trans-112.4146.8173.3178.266.6000108.4P61 F98 V99 L100 F126L58-P61 HydrophobicContact CD2-CB 4.49Å; L58-F98 PolarHBondContact N-O 3.33Å; L58-V99 HydrophobicContact CB-CG2 4.27Å; L58-V99 HydrophobicContact CD2-CG1 4.22Å; L58-V99 HydrophobicContact CD2-CG2 4.24Å; L58-V99 HydrophobicContact CG-CG1 4.38Å; L58-V99 CarbonylContact O-C 3.51Å; L58-V99 VanDerWaalsContact O-CA 3.29Å; L58-V99 WeakPolarHBondContact O-CA 3.38Å; L58-L100 PolarHBondContact O-N 3.49Å; L58-F126 HydrophobicContact CD2-CD1 3.83Å; L58-F126 HydrophobicContact CD2-CE1 3.43Å; L58-F126 VanDerWaalsContact CD2-CE1 3.43Å; L58-F126 HydrophobicContact CD2-CZ 3.86Å
59A91.7Very high91Very high38 Ų3857.4 Ų57.431%0.31431%0.308SS..EExtended strand (participates in β ladder)trans-138.5149.2176.300000109.9L100A59-L100 HydrophobicContact CB-CB 4.03Å
60D93Very high91.9Very high38 Ų3854 Ų5420%0.20329%0.292CS..  trans47.652.6168.2-55-117.1000114.9H62 S223 Q233D60-H62 PolarHBondContact O-CD2 3.42Å; D60-H62 PolarHBondContact O-N 2.97Å; D60-H62 IonicContact OD1-NE2 3.96Å; D60-S223 WeakPolarHBondContact OD2-CB 3.44Å; D60-S223 PolarHBondContact OD2-OG 2.97Å; D60-Q233 PolarHBondContact OD1-NE2 2.89Å
61P94.4Very high92.9Very high13 Ų1358.8 Ų58.88%0.08429%0.286CS..  trans-65.1-26.1177.330.4-37.7000112.6L58 L63 M81 V99 D102 F122 F126L58-P61 HydrophobicContact CD2-CB 4.49Å; P61-L63 PolarHBondContact O-N 3.32Å; P61-M81 HydrophobicContact CB-SD 3.81Å; P61-V99 HydrophobicContact CG-CG1 4.4Å; P61-D102 VanDerWaalsContact CD-O 3.26Å; P61-D102 WeakPolarHBondContact CD-O 3.3Å; P61-F122 HydrophobicContact CG-CE2 4.34Å; P61-F126 HydrophobicContact CB-CE2 3.84Å; P61-F126 HydrophobicContact CB-CZ 3.6Å; P61-F126 HydrophobicContact CG-CE2 4.42Å
62H95.6Very high93.9Very high49 Ų4962.2 Ų62.223%0.22730%0.296CS..  trans43.966.3178.5-78-86.6000113.3D60 L64 D102 D105 H140D60-H62 PolarHBondContact O-CD2 3.42Å; D60-H62 PolarHBondContact O-N 2.97Å; D60-H62 IonicContact OD1-NE2 3.96Å; H62-L64 PolarHBondContact O-N 3.49Å; H62-D102 WeakPolarHBondContact CA-O 3.19Å; H62-D102 IonicContact CE1-OD2 3.38Å; H62-D102 PolarHBondContact N-O 2.9Å; H62-D102 IonicContact NE2-OD2 3.5Å; H62-D105 HydrophobicContact CB-CB 4.27Å; H62-D105 IonicContact CE1-OD1 3.95Å; H62-D105 IonicContact ND1-OD1 2.69Å; H62-D105 PolarHBondContact ND1-OD1 3.31Å; H62-D105 VanDerWaalsContact ND1-OD1 3.13Å; H62-H140 AromaticContact CE1-CD2 3.52Å; H62-H140 AromaticContact CE1-CE1 3.83Å; H62-H140 AromaticContact CE1-CG 3.56Å; H62-H140 AromaticContact CE1-ND1 3.76Å; H62-H140 AromaticContact CE1-NE2 3.73Å; H62-H140 AromaticContact ND1-CG 3.97Å; H62-H140 AromaticContact ND1-ND1 3.92Å
63L97.6Very high94.3Very high0 Ų061 Ų610%029%0.293CS..BIsolated β-bridgetrans-58.9120174.3-66.5179.1000110.1P61 G65 E78 M81 L103 F104 D105 R121 F122 V125 F126P61-L63 PolarHBondContact O-N 3.32Å; L63-G65 PolarHBondContact O-N 3.11Å; L63-E78 HydrophobicContact CD2-CG 3.99Å; L63-M81 HydrophobicContact CD2-CE 3.75Å; L63-L103 WeakPolarHBondContact CB-O 3.44Å; L63-L103 VanDerWaalsContact CG-O 3.27Å; L63-L103 WeakPolarHBondContact CG-O 2.99Å; L63-L103 PolarHBondContact N-O 3.13Å; L63-F104 HydrophobicContact CB-CD1 4.43Å; L63-F104 HydrophobicContact CD1-CD1 4.21Å; L63-F104 HydrophobicContact CD1-CE1 4.35Å; L63-D105 PolarHBondContact O-N 3.04Å; L63-R121 HydrophobicContact CD1-CG 4.45Å; L63-R121 PolarHBondContact O-NH2 2.94Å; L63-F122 VanDerWaalsContact CD1-CA 3.44Å; L63-F122 HydrophobicContact CD1-CB 3.55Å; L63-F122 HydrophobicContact CD1-CD2 4.01Å; L63-F122 HydrophobicContact CD1-CG 4.29Å; L63-V125 HydrophobicContact CD2-CB 4.34Å; L63-V125 HydrophobicContact CD2-CG1 4.31Å; L63-V125 HydrophobicContact CD2-CG2 4.11Å; L63-F126 HydrophobicContact CD2-CE2 4.27Å
64L96.2Very high94.5Very high16 Ų1662.7 Ų62.78%0.08430%0.3CS..  trans-61.3130.9-167.8-154.572.8000111.1H62 G69 H70 D73 K74 R121H62-L64 PolarHBondContact O-N 3.49Å; L64-G69 VanDerWaalsContact CG-CA 3.46Å; L64-H70 WeakPolarHBondContact CD2-O 3.45Å; L64-D73 HydrophobicContact CD2-CB 4.12Å; L64-K74 HydrophobicContact CB-CB 4.14Å; L64-K74 HydrophobicContact CB-CG 4.19Å; L64-K74 HydrophobicContact CD2-CB 3.76Å; L64-R121 PolarHBondContact O-NH1 3.09Å; L64-R121 PolarHBondContact O-NH2 3.2Å
65G95.8Very high94.6Very high4 Ų466.2 Ų66.24%0.04132%0.318CS..  trans-81.9-173.9-177.300000114.1L63 G69 E106 Y118L63-G65 PolarHBondContact O-N 3.11Å; G65-G69 WeakPolarHBondContact O-CA 3.5Å; G65-E106 VanDerWaalsContact CA-CD 3.46Å; G65-E106 WeakPolarHBondContact CA-OE2 3.31Å; G65-Y118 VanDerWaalsContact CA-OH 3.23Å; G65-Y118 WeakPolarHBondContact CA-OH 3.46Å
66V95.2Very high94.7Very high78 Ų7868.7 Ų68.747%0.47332%0.322SS..SBendtrans-93.3-16.5-174-62.10000113.5E106 L114 Y118V66-E106 PolarHBondContact N-OE2 3.35Å; V66-L114 HydrophobicContact CG1-CD1 4.09Å; V66-L114 HydrophobicContact CG2-CD1 4.5Å; V66-L114 HydrophobicContact CG2-CD2 3.95Å; V66-Y118 HydrophobicContact CG1-CE1 4.34Å; V66-Y118 PolarHBondContact N-OH 3.34Å; V66-Y118 VanDerWaalsContact N-OH 3.11Å
67W94.6Very high94.8Very high138 Ų13873 Ų7352%0.52334%0.336SS..SBendtrans-93.9-52.4-173.5-66-74.1000112.2E106 W109 L114W67-E106 HydrophobicContact CE3-CB 3.88Å; W67-E106 HydrophobicContact CE3-CG 4.38Å; W67-E106 HydrophobicContact CZ3-CB 4.04Å; W67-E106 PolarHBondContact N-OE2 3.2Å; W67-W109 HydrophobicContact CD2-CE3 4.35Å; W67-W109 HydrophobicContact CE3-CB 3.99Å; W67-W109 AromaticContact CE3-CE3 3.72Å; W67-W109 HydrophobicContact CE3-CE3 3.72Å; W67-W109 HydrophobicContact CH2-CB 3.78Å; W67-W109 VanDerWaalsContact CH2-O 3.28Å; W67-W109 WeakPolarHBondContact CH2-O 3.2Å; W67-W109 HydrophobicContact CZ3-CB 3.46Å; W67-W109 VanDerWaalsContact CZ3-CB 3.46Å; W67-W109 HydrophobicContact CZ3-CE3 4.32Å; W67-L114 HydrophobicContact CH2-CD2 3.23Å; W67-L114 HydrophobicContact CZ2-CD2 3.92Å; W67-L114 HydrophobicContact CZ3-CD2 3.63Å
68R92.6Very high95Very high196 Ų19671.1 Ų71.174%0.7433%0.326SS*.SBendtrans-99.6-9.7179.6-59-176.8174.4-178.60.7112.7E106 W109R68-E106 WeakPolarHBondContact CA-OE1 3.14Å; R68-E106 WeakPolarHBondContact CB-OE1 3.35Å; R68-E106 WeakPolarHBondContact CG-OE1 3.36Å; R68-E106 PolarHBondContact N-OE1 2.88Å; R68-W109 HydrophobicContact CG-CH2 4.49Å; R68-W109 HydrophobicContact CG-CZ3 4.19Å; R68-W109 VanDerWaalsContact CZ-CH2 3.43Å
69G90.6Very high95.1Very high23 Ų2375 Ų7524%0.23734%0.337CS..  trans-78.6125.4-177.700000114.2L64 G65L64-G69 VanDerWaalsContact CG-CA 3.46Å; G65-G69 WeakPolarHBondContact O-CA 3.5Å
70H94.1Very high95.4Very high111 Ų11176 Ų7651%0.51434%0.336SS..  trans-82.9135.1168.7-171.5-93000110.8L64 F72 D73 K74L64-H70 WeakPolarHBondContact CD2-O 3.45Å; H70-F72 VanDerWaalsContact C-N 3.29Å; H70-F72 PolarHBondContact ND1-N 2.99Å; H70-F72 PolarHBondContact O-N 3.46Å; H70-D73 HydrophobicContact CB-CB 4.14Å; H70-D73 PolarHBondContact O-N 2.89Å; H70-D73 VanDerWaalsContact O-N 3.1Å; H70-K74 WeakPolarHBondContact O-CB 3.18Å; H70-K74 PolarHBondContact O-N 3.41Å
71W95.1Very high95.6Very high179 Ų17976 Ų7668%0.67834%0.335SS*.Hα-helixtrans-59.2-36.7-173.373.1-90.8000113.8K74 L75W71-K74 WeakPolarHBondContact O-CB 3.37Å; W71-L75 HydrophobicContact CZ3-CD2 4.39Å; W71-L75 WeakPolarHBondContact O-CB 3.4Å; W71-L75 PolarHBondContact O-N 2.98Å
72F95.9Very high95.8Very high113 Ų11376 Ų7650%0.49634%0.338SS..Hα-helixtrans-74.5-36.3178.8-175.6-104.8000111.9H70 L75 R76H70-F72 VanDerWaalsContact C-N 3.29Å; H70-F72 PolarHBondContact ND1-N 2.99Å; H70-F72 PolarHBondContact O-N 3.46Å; F72-L75 HydrophobicContact CD2-CD2 4.43Å; F72-L75 PolarHBondContact O-N 3.35Å; F72-R76 WeakPolarHBondContact O-CB 3.4Å; F72-R76 PolarHBondContact O-N 3.48Å
73D96.1Very high95.9Very high53 Ų5374.3 Ų74.328%0.28333%0.331SS..Hα-helixtrans-65.9-43.7175.1-17538.1000110L64 H70 L75 R76 R77L64-D73 HydrophobicContact CD2-CB 4.12Å; H70-D73 HydrophobicContact CB-CB 4.14Å; H70-D73 PolarHBondContact O-N 2.89Å; H70-D73 VanDerWaalsContact O-N 3.1Å; D73-L75 PolarHBondContact O-N 2.66Å; D73-R76 PolarHBondContact O-N 2.94Å; D73-R77 VanDerWaalsContact CG-NE 3.31Å; D73-R77 WeakPolarHBondContact O-CB 3.36Å; D73-R77 WeakPolarHBondContact O-CG 3.3Å; D73-R77 PolarHBondContact O-N 3.49Å; D73-R77 WeakPolarHBondContact OD1-CD 3.48Å; D73-R77 WeakPolarHBondContact OD1-CG 3.39Å; D73-R77 IonicContact OD1-CZ 3.85Å; D73-R77 IonicContact OD1-NE 2.82Å; D73-R77 PolarHBondContact OD1-NE 3.08Å; D73-R77 IonicContact OD2-CZ 3.92Å; D73-R77 IonicContact OD2-NE 3.1Å; D73-R77 PolarHBondContact OD2-NE 3.49Å; D73-R77 VanDerWaalsContact OD2-NE 3.1Å
74K96.5Very high95.9Very high65 Ų6575.8 Ų75.828%0.28334%0.343SS..Hα-helixtrans-53.6-54.4171.3-176.3-170.1174-65.80111.4L64 H70 W71 R76 E78L64-K74 HydrophobicContact CB-CB 4.14Å; L64-K74 HydrophobicContact CB-CG 4.19Å; L64-K74 HydrophobicContact CD2-CB 3.76Å; H70-K74 WeakPolarHBondContact O-CB 3.18Å; H70-K74 PolarHBondContact O-N 3.41Å; W71-K74 WeakPolarHBondContact O-CB 3.37Å; K74-R76 VanDerWaalsContact C-N 3.27Å; K74-R76 PolarHBondContact O-N 3.33Å; K74-E78 VanDerWaalsContact CE-OE1 3.24Å; K74-E78 WeakPolarHBondContact CE-OE1 3.47Å; K74-E78 HydrophobicContact CG-CG 4.34Å; K74-E78 VanDerWaalsContact CG-OE1 3.22Å; K74-E78 WeakPolarHBondContact CG-OE1 3.47Å; K74-E78 IonicContact NZ-OE1 2.68Å; K74-E78 PolarHBondContact NZ-OE1 3.15Å; K74-E78 IonicContact NZ-OE2 3.49Å; K74-E78 PolarHBondContact NZ-OE2 3.1Å; K74-E78 VanDerWaalsContact O-CB 3.27Å; K74-E78 WeakPolarHBondContact O-CB 3.38Å; K74-E78 VanDerWaalsContact O-CG 3.31Å; K74-E78 WeakPolarHBondContact O-CG 3.41Å; K74-E78 PolarHBondContact O-N 2.8Å
75L95.8Very high96Very high101 Ų10175.6 Ų75.653%0.52934%0.342SS..Hα-helixtrans-54.7-47.6180174.765.5000110.6W71 F72 D73 W79W71-L75 HydrophobicContact CZ3-CD2 4.39Å; W71-L75 WeakPolarHBondContact O-CB 3.4Å; W71-L75 PolarHBondContact O-N 2.98Å; F72-L75 HydrophobicContact CD2-CD2 4.43Å; F72-L75 PolarHBondContact O-N 3.35Å; D73-L75 PolarHBondContact O-N 2.66Å; L75-W79 WeakPolarHBondContact O-CB 3.42Å; L75-W79 PolarHBondContact O-N 2.82Å; L75-W79 VanDerWaalsContact O-N 3.08Å
76R96.4Very high96.1Very high81 Ų8179.8 Ų79.831%0.30636%0.36SS..Hα-helixtrans-69.5-52.5-175.818054179-132.910112.5E30 F72 D73 K74 E78 W79 Q80E30-R76 IonicContact OE1-CZ 2.95Å; E30-R76 IonicContact OE1-NH1 2.63Å; E30-R76 PolarHBondContact OE1-NH1 3.28Å; E30-R76 IonicContact OE1-NH2 2.63Å; E30-R76 PolarHBondContact OE1-NH2 3.48Å; E30-R76 IonicContact OE2-CZ 2.81Å; E30-R76 IonicContact OE2-NE 3.42Å; E30-R76 PolarHBondContact OE2-NE 2.5Å; E30-R76 IonicContact OE2-NH1 2.79Å; E30-R76 PolarHBondContact OE2-NH1 2.89Å; E30-R76 IonicContact OE2-NH2 3.03Å; E30-R76 PolarHBondContact OE2-NH2 3.23Å; F72-R76 WeakPolarHBondContact O-CB 3.4Å; F72-R76 PolarHBondContact O-N 3.48Å; D73-R76 PolarHBondContact O-N 2.94Å; K74-R76 VanDerWaalsContact C-N 3.27Å; K74-R76 PolarHBondContact O-N 3.33Å; R76-E78 PolarHBondContact O-N 3.48Å; R76-W79 WeakPolarHBondContact O-CB 3.23Å; R76-W79 PolarHBondContact O-N 2.82Å; R76-Q80 VanDerWaalsContact NE-CD 3.26Å; R76-Q80 VanDerWaalsContact NE-NE2 3.19Å; R76-Q80 VanDerWaalsContact O-CG 3.25Å; R76-Q80 WeakPolarHBondContact O-CG 3.47Å; R76-Q80 PolarHBondContact O-N 3.35Å
77R96.3Very high96.2Very high133 Ų13376.1 Ų76.150%0.50234%0.338SS..Hα-helixtrans-61.1-47-178.6-71.9179.7-179.7-110.51.3111.7D73 W79 Q80 M81D73-R77 VanDerWaalsContact CG-NE 3.31Å; D73-R77 WeakPolarHBondContact O-CB 3.36Å; D73-R77 WeakPolarHBondContact O-CG 3.3Å; D73-R77 PolarHBondContact O-N 3.49Å; D73-R77 WeakPolarHBondContact OD1-CD 3.48Å; D73-R77 WeakPolarHBondContact OD1-CG 3.39Å; D73-R77 IonicContact OD1-CZ 3.85Å; D73-R77 IonicContact OD1-NE 2.82Å; D73-R77 PolarHBondContact OD1-NE 3.08Å; D73-R77 IonicContact OD2-CZ 3.92Å; D73-R77 IonicContact OD2-NE 3.1Å; D73-R77 PolarHBondContact OD2-NE 3.49Å; D73-R77 VanDerWaalsContact OD2-NE 3.1Å; R77-W79 VanDerWaalsContact C-N 3.35Å; R77-W79 PolarHBondContact O-N 3.01Å; R77-Q80 PolarHBondContact O-N 3.36Å; R77-M81 HydrophobicContact CB-CE 4.33Å; R77-M81 WeakPolarHBondContact O-CG 3.47Å; R77-M81 PolarHBondContact O-N 3.46Å
78E97.3Very high96.3Very high20 Ų2070.3 Ų70.39%0.09332%0.319CS..Hα-helixtrans-66.8-37.3-179.4-66.4179.5-172.600111.8L63 K74 R76 M81 G82 R121 V125L63-E78 HydrophobicContact CD2-CG 3.99Å; K74-E78 VanDerWaalsContact CE-OE1 3.24Å; K74-E78 WeakPolarHBondContact CE-OE1 3.47Å; K74-E78 HydrophobicContact CG-CG 4.34Å; K74-E78 VanDerWaalsContact CG-OE1 3.22Å; K74-E78 WeakPolarHBondContact CG-OE1 3.47Å; K74-E78 IonicContact NZ-OE1 2.68Å; K74-E78 PolarHBondContact NZ-OE1 3.15Å; K74-E78 IonicContact NZ-OE2 3.49Å; K74-E78 PolarHBondContact NZ-OE2 3.1Å; K74-E78 VanDerWaalsContact O-CB 3.27Å; K74-E78 WeakPolarHBondContact O-CB 3.38Å; K74-E78 VanDerWaalsContact O-CG 3.31Å; K74-E78 WeakPolarHBondContact O-CG 3.41Å; K74-E78 PolarHBondContact O-N 2.8Å; R76-E78 PolarHBondContact O-N 3.48Å; E78-M81 HydrophobicContact CB-CE 4.35Å; E78-M81 HydrophobicContact CG-CE 3.9Å; E78-M81 PolarHBondContact O-N 3.37Å; E78-G82 PolarHBondContact O-N 3.1Å; E78-R121 WeakPolarHBondContact OE1-CD 3.37Å; E78-R121 IonicContact OE1-CZ 3.8Å; E78-R121 IonicContact OE1-NE 3.91Å; E78-R121 IonicContact OE1-NH1 3.84Å; E78-R121 PolarHBondContact OE1-NH1 3.16Å; E78-V125 HydrophobicContact CB-CG2 4.11Å; E78-V125 HydrophobicContact CG-CG2 4.35Å
79W97.1Very high96.5Very high125 Ų12561.6 Ų61.647%0.47329%0.287SS..Hα-helixtrans-57.7-49.8170.7173.7-93.5000111.5E30 L75 R76 R77 M81 G82 V83E30-W79 PolarHBondContact O-NE1 2.83Å; L75-W79 WeakPolarHBondContact O-CB 3.42Å; L75-W79 PolarHBondContact O-N 2.82Å; L75-W79 VanDerWaalsContact O-N 3.08Å; R76-W79 WeakPolarHBondContact O-CB 3.23Å; R76-W79 PolarHBondContact O-N 2.82Å; R77-W79 VanDerWaalsContact C-N 3.35Å; R77-W79 PolarHBondContact O-N 3.01Å; W79-M81 PolarHBondContact O-N 3.25Å; W79-G82 PolarHBondContact O-N 2.96Å; W79-V83 HydrophobicContact CD2-CG2 4.07Å; W79-V83 HydrophobicContact CG-CG2 4.47Å; W79-V83 HydrophobicContact CH2-CG2 4.41Å; W79-V83 HydrophobicContact CZ2-CG2 3.85Å; W79-V83 WeakPolarHBondContact O-CG2 3.36Å; W79-V83 PolarHBondContact O-N 3.1Å
80Q97.4Very high96.8Very high61 Ų6167 Ų6729%0.28530%0.304SS..Hα-helixtrans-64.5-41.2-178.3-67.5-176.5-57.300112.3Y34 R76 R77 A84Y34-Q80 VanDerWaalsContact OH-CB 3.27Å; Y34-Q80 WeakPolarHBondContact OH-CB 3.31Å; Y34-Q80 WeakPolarHBondContact OH-CG 3.48Å; Y34-Q80 PolarHBondContact OH-NE2 3.19Å; R76-Q80 VanDerWaalsContact NE-CD 3.26Å; R76-Q80 VanDerWaalsContact NE-NE2 3.19Å; R76-Q80 VanDerWaalsContact O-CG 3.25Å; R76-Q80 WeakPolarHBondContact O-CG 3.47Å; R76-Q80 PolarHBondContact O-N 3.35Å; R77-Q80 PolarHBondContact O-N 3.36Å; Q80-A84 WeakPolarHBondContact O-CB 3.46Å; Q80-A84 PolarHBondContact O-N 3.27Å
81M97.9Very high96.9Very high36 Ų3664.4 Ų64.418%0.17729%0.294CS..Hα-helixtrans-60.5-49.6174.1-74.2-172.5-76.500111.6P61 L63 R77 E78 W79 A84 F85 V125 F126P61-M81 HydrophobicContact CB-SD 3.81Å; L63-M81 HydrophobicContact CD2-CE 3.75Å; R77-M81 HydrophobicContact CB-CE 4.33Å; R77-M81 WeakPolarHBondContact O-CG 3.47Å; R77-M81 PolarHBondContact O-N 3.46Å; E78-M81 HydrophobicContact CB-CE 4.35Å; E78-M81 HydrophobicContact CG-CE 3.9Å; E78-M81 PolarHBondContact O-N 3.37Å; W79-M81 PolarHBondContact O-N 3.25Å; M81-A84 PolarHBondContact O-N 3.1Å; M81-F85 VanDerWaalsContact O-CB 3.24Å; M81-F85 WeakPolarHBondContact O-CB 3.41Å; M81-F85 PolarHBondContact O-N 2.88Å; M81-V125 HydrophobicContact CB-CG1 3.93Å; M81-F126 HydrophobicContact CB-CE1 4.2Å; M81-F126 HydrophobicContact CB-CZ 3.93Å; M81-F126 HydrophobicContact CG-CZ 4.33Å; M81-F126 HydrophobicContact SD-CZ 3.87Å
82G97.8Very high97Very high15 Ų1557.7 Ų57.716%0.15527%0.27CS..Hα-helixtrans-62.7-48.2-178.500000112.5E78 W79 A84 F85 E86 V125E78-G82 PolarHBondContact O-N 3.1Å; W79-G82 PolarHBondContact O-N 2.96Å; G82-A84 PolarHBondContact O-N 3.38Å; G82-F85 PolarHBondContact O-N 2.78Å; G82-E86 WeakPolarHBondContact O-CB 3.43Å; G82-E86 PolarHBondContact O-N 2.63Å; G82-V125 WeakPolarHBondContact CA-O 3.43Å
83V97.7Very high97Very high12 Ų1258.1 Ų58.17%0.07328%0.277CS..Hα-helixtrans-64-42.7178.4175.20000111.3Y31 Y34 W79 T87Y31-V83 HydrophobicContact CD2-CG1 4.19Å; Y34-V83 HydrophobicContact CD2-CB 4.36Å; Y34-V83 HydrophobicContact CD2-CG1 3.54Å; Y34-V83 HydrophobicContact CE2-CG1 4.1Å; Y34-V83 HydrophobicContact CG-CG1 3.97Å; W79-V83 HydrophobicContact CD2-CG2 4.07Å; W79-V83 HydrophobicContact CG-CG2 4.47Å; W79-V83 HydrophobicContact CH2-CG2 4.41Å; W79-V83 HydrophobicContact CZ2-CG2 3.85Å; W79-V83 WeakPolarHBondContact O-CG2 3.36Å; W79-V83 PolarHBondContact O-N 3.1Å; V83-T87 WeakPolarHBondContact O-CB 3.39Å; V83-T87 PolarHBondContact O-N 2.69Å; V83-T87 PolarHBondContact O-OG1 3.21Å
84A97.3Very high97Very high32 Ų3255.8 Ų55.826%0.26427%0.265SS..Hα-helixtrans-62-45.6177.300000111.5Y34 Q80 M81 G82 T87 A88Y34-A84 HydrophobicContact CD1-CB 3.66Å; Y34-A84 HydrophobicContact CE1-CB 3.84Å; Q80-A84 WeakPolarHBondContact O-CB 3.46Å; Q80-A84 PolarHBondContact O-N 3.27Å; M81-A84 PolarHBondContact O-N 3.1Å; G82-A84 PolarHBondContact O-N 3.38Å; A84-T87 PolarHBondContact O-N 2.87Å; A84-A88 WeakPolarHBondContact O-CB 3.29Å; A84-A88 PolarHBondContact O-N 3.09Å
85F98.1Very high97Very high12 Ų1256.3 Ų56.35%0.05327%0.269CS..Hα-helixtrans-65.6-49.9-179.8-178.1-109.9000112.2L56 M81 G82 T87 A88 L89 V97 F126 P127 I133L56-F85 HydrophobicContact CD2-CD2 4.15Å; L56-F85 HydrophobicContact CD2-CE2 3.94Å; M81-F85 VanDerWaalsContact O-CB 3.24Å; M81-F85 WeakPolarHBondContact O-CB 3.41Å; M81-F85 PolarHBondContact O-N 2.88Å; G82-F85 PolarHBondContact O-N 2.78Å; F85-T87 VanDerWaalsContact C-N 3.27Å; F85-T87 PolarHBondContact O-N 3.3Å; F85-A88 WeakPolarHBondContact O-CB 3.37Å; F85-A88 PolarHBondContact O-N 2.8Å; F85-A88 VanDerWaalsContact O-N 3.11Å; F85-L89 HydrophobicContact CD1-CD1 4.1Å; F85-L89 HydrophobicContact CD1-CG 4.36Å; F85-L89 HydrophobicContact CE1-CD1 3.52Å; F85-L89 HydrophobicContact CE1-CG 4.04Å; F85-L89 HydrophobicContact CE2-CD2 4.19Å; F85-L89 HydrophobicContact CE2-CG 4.36Å; F85-L89 HydrophobicContact CZ-CD1 3.82Å; F85-L89 HydrophobicContact CZ-CD2 4.01Å; F85-L89 HydrophobicContact CZ-CG 4.04Å; F85-L89 WeakPolarHBondContact O-CG 3.06Å; F85-L89 PolarHBondContact O-N 3.39Å; F85-V97 HydrophobicContact CE2-CG1 3.93Å; F85-V97 HydrophobicContact CE2-CG2 4.09Å; F85-V97 HydrophobicContact CZ-CG1 4.38Å; F85-V97 HydrophobicContact CZ-CG2 4.1Å; F85-F126 HydrophobicContact CB-CD1 3.89Å; F85-F126 HydrophobicContact CB-CE1 4.19Å; F85-F126 HydrophobicContact CD1-CB 4.08Å; F85-F126 AromaticContact CD1-CD1 3.87Å; F85-F126 HydrophobicContact CD1-CD1 3.87Å; F85-F126 HydrophobicContact CD1-CG 4.47Å; F85-F126 AromaticContact CD2-CD1 3.92Å; F85-F126 HydrophobicContact CD2-CD1 3.92Å; F85-F126 HydrophobicContact CE1-CB 3.9Å; F85-F126 HydrophobicContact CE1-CD1 4.33Å; F85-F126 HydrophobicContact CE2-CD1 4.4Å; F85-F126 AromaticContact CG-CD1 3.62Å; F85-F126 HydrophobicContact CG-CD1 3.62Å; F85-F126 HydrophobicContact CG-CE1 4.34Å; F85-F126 HydrophobicContact CZ-CB 4.34Å; F85-P127 WeakPolarHBondContact CE1-O 3.29Å; F85-I133 HydrophobicContact CE1-CD1 4.46Å; F85-I133 HydrophobicContact CZ-CD1 4.02Å
86E97.3Very high97Very high92 Ų9251.5 Ų51.543%0.4324%0.244SC..Hα-helixtrans-59.5-41177.2-170.8-169.6149.800111.2G82 A88 L89 K90G82-E86 WeakPolarHBondContact O-CB 3.43Å; G82-E86 PolarHBondContact O-N 2.63Å; E86-A88 PolarHBondContact O-N 3.34Å; E86-L89 PolarHBondContact O-N 2.91Å; E86-K90 VanDerWaalsContact O-CB 3.3Å; E86-K90 WeakPolarHBondContact O-CB 3.24Å; E86-K90 PolarHBondContact O-N 2.85Å
87T97.7Very high97.1Very high1 Ų147.7 Ų47.71%0.00623%0.229CC..Hα-helixtrans-62.3-42.9176.1-59.20000111.3Y35 V38 V83 A84 F85 K90 L91Y35-T87 HydrophobicContact CD1-CG2 3.92Å; Y35-T87 HydrophobicContact CD2-CG2 3.89Å; Y35-T87 HydrophobicContact CE1-CG2 4.12Å; Y35-T87 HydrophobicContact CE2-CG2 4.09Å; Y35-T87 WeakPolarHBondContact CE2-OG1 3.32Å; Y35-T87 HydrophobicContact CG-CG2 3.8Å; V38-T87 HydrophobicContact CB-CG2 4.1Å; V38-T87 HydrophobicContact CG1-CG2 4.33Å; V38-T87 HydrophobicContact CG2-CG2 4.26Å; V83-T87 WeakPolarHBondContact O-CB 3.39Å; V83-T87 PolarHBondContact O-N 2.69Å; V83-T87 PolarHBondContact O-OG1 3.21Å; A84-T87 PolarHBondContact O-N 2.87Å; F85-T87 VanDerWaalsContact C-N 3.27Å; F85-T87 PolarHBondContact O-N 3.3Å; T87-K90 PolarHBondContact O-N 2.82Å; T87-L91 HydrophobicContact CG2-CD1 3.73Å; T87-L91 HydrophobicContact CG2-CG 4.24Å; T87-L91 WeakPolarHBondContact O-CB 3.26Å; T87-L91 WeakPolarHBondContact O-CG 3.31Å; T87-L91 PolarHBondContact O-N 2.83Å
88A97.3Very high97Very high16 Ų1641.4 Ų41.413%0.13221%0.205CC..Hα-helixtrans-62.3-45.1175.400000111.9V38 L56 A84 F85 E86 K90 H92V38-A88 HydrophobicContact CG1-CB 4.39Å; L56-A88 HydrophobicContact CD2-CB 4.21Å; A84-A88 WeakPolarHBondContact O-CB 3.29Å; A84-A88 PolarHBondContact O-N 3.09Å; F85-A88 WeakPolarHBondContact O-CB 3.37Å; F85-A88 PolarHBondContact O-N 2.8Å; F85-A88 VanDerWaalsContact O-N 3.11Å; E86-A88 PolarHBondContact O-N 3.34Å; A88-K90 PolarHBondContact O-N 2.91Å; A88-H92 WeakPolarHBondContact O-CB 3.27Å; A88-H92 PolarHBondContact O-N 2.88Å
89L97.3Very high97Very high12 Ų1240.5 Ų40.56%0.06320%0.202CC..Hα-helixtrans-60.1-47.1175.7-66.4-169.7000111.7L56 F85 E86 N93 P94 V97 N129 V131L56-L89 HydrophobicContact CD2-CD2 4.39Å; F85-L89 HydrophobicContact CD1-CD1 4.1Å; F85-L89 HydrophobicContact CD1-CG 4.36Å; F85-L89 HydrophobicContact CE1-CD1 3.52Å; F85-L89 HydrophobicContact CE1-CG 4.04Å; F85-L89 HydrophobicContact CE2-CD2 4.19Å; F85-L89 HydrophobicContact CE2-CG 4.36Å; F85-L89 HydrophobicContact CZ-CD1 3.82Å; F85-L89 HydrophobicContact CZ-CD2 4.01Å; F85-L89 HydrophobicContact CZ-CG 4.04Å; F85-L89 WeakPolarHBondContact O-CG 3.06Å; F85-L89 PolarHBondContact O-N 3.39Å; E86-L89 PolarHBondContact O-N 2.91Å; L89-N93 VanDerWaalsContact O-CA 3.23Å; L89-N93 WeakPolarHBondContact O-CA 3.48Å; L89-N93 PolarHBondContact O-N 2.95Å; L89-P94 HydrophobicContact CD2-CG 3.46Å; L89-P94 VanDerWaalsContact CD2-CG 3.46Å; L89-V97 HydrophobicContact CD2-CG2 4.07Å; L89-N129 HydrophobicContact CD1-CB 4.49Å; L89-V131 HydrophobicContact CD2-CG2 4.47Å
90K96.5Very high96.8Very high136 Ų13634.8 Ų34.859%0.59118%0.18SC*.Hα-helixtrans-68.3-40.5-175.9-175.8177.1178.6179.60113.5Y35 E86 T87 A88Y35-K90 HydrophobicContact CE1-CD 4.21Å; Y35-K90 PolarHBondContact OH-NZ 2.81Å; E86-K90 VanDerWaalsContact O-CB 3.3Å; E86-K90 WeakPolarHBondContact O-CB 3.24Å; E86-K90 PolarHBondContact O-N 2.85Å; T87-K90 PolarHBondContact O-N 2.82Å; A88-K90 PolarHBondContact O-N 2.91Å
91L97.1Very high96.5Very high57 Ų5731.9 Ų31.930%0.29817%0.166SC..Hα-helixtrans-84.6-35.9-175.8-67.5-177.7000112.9Y35 V38 R39 T87Y35-L91 HydrophobicContact CD1-CD1 3.93Å; Y35-L91 HydrophobicContact CD1-CD2 4.14Å; Y35-L91 HydrophobicContact CD1-CG 4.21Å; Y35-L91 HydrophobicContact CE1-CD2 4.34Å; Y35-L91 HydrophobicContact CE1-CG 4.43Å; V38-L91 HydrophobicContact CB-CD1 4.22Å; V38-L91 HydrophobicContact CG1-CB 4.4Å; V38-L91 HydrophobicContact CG1-CD1 4.04Å; R39-L91 HydrophobicContact CB-CD1 4.16Å; T87-L91 HydrophobicContact CG2-CD1 3.73Å; T87-L91 HydrophobicContact CG2-CG 4.24Å; T87-L91 WeakPolarHBondContact O-CB 3.26Å; T87-L91 WeakPolarHBondContact O-CG 3.31Å; T87-L91 PolarHBondContact O-N 2.83Å
92H96.4Very high96.4Very high38 Ų3830.3 Ų30.318%0.17616%0.159CC..Hα-helixtrans-106.7-14-172.9-71.8-67.3000114.5V38 C41 W43 A88V38-H92 VanDerWaalsContact CG1-CD2 3.45Å; V38-H92 WeakPolarHBondContact CG1-CD2 3.22Å; V38-H92 PolarHBondContact O-NE2 2.8Å; C41-H92 PolarHBondContact O-CE1 2.91Å; C41-H92 VanDerWaalsContact O-CE1 3.29Å; W43-H92 HydrophobicContact CZ2-CB 3.64Å; W43-H92 PolarHBondContact NE1-O 3.33Å; A88-H92 WeakPolarHBondContact O-CB 3.27Å; A88-H92 PolarHBondContact O-N 2.88Å
93N95.5Very high96.3Very high122 Ų12229.6 Ų29.665%0.65215%0.152SC*.  trans43.859.4177.9-168.953.4000112.8L89L89-N93 VanDerWaalsContact O-CA 3.23Å; L89-N93 WeakPolarHBondContact O-CA 3.48Å; L89-N93 PolarHBondContact O-N 2.95Å
94P96.4Very high96.3Very high4 Ų429 Ų293%0.02615%0.148CC..  trans-63.8149.9177.229.7-34000110.6W43 N54 L56 L89 V131W43-P94 HydrophobicContact CH2-CB 3.93Å; W43-P94 HydrophobicContact CZ2-CB 3.95Å; N54-P94 CarbonylContact O-C 3.59Å; N54-P94 WeakPolarHBondContact O-CA 3.07Å; L56-P94 HydrophobicContact CB-CB 3.9Å; L56-P94 HydrophobicContact CB-CG 4.07Å; L56-P94 HydrophobicContact CD2-CG 4.45Å; L89-P94 HydrophobicContact CD2-CG 3.46Å; L89-P94 VanDerWaalsContact CD2-CG 3.46Å; P94-V131 WeakPolarHBondContact O-CG1 3.49Å
95E95.9Very high96.1Very high76 Ų7629.3 Ų29.336%0.35515%0.145SC..SBendtrans-87.7-19178.9-61.6-175.18500112.4L53 N54 P132 K171L53-E95 WeakPolarHBondContact CA-OE2 3.44Å; L53-E95 HydrophobicContact CD1-CB 3.79Å; L53-E95 HydrophobicContact CD1-CG 4.5Å; N54-E95 PolarHBondContact N-OE2 3.18Å; N54-E95 PolarHBondContact O-N 2.88Å; E95-P132 WeakPolarHBondContact O-CD 3.47Å; E95-K171 WeakPolarHBondContact OE1-CE 3.3Å; E95-K171 IonicContact OE1-NZ 2.63Å; E95-K171 PolarHBondContact OE1-NZ 3.35Å; E95-K171 IonicContact OE2-NZ 2.78Å; E95-K171 PolarHBondContact OE2-NZ 3.29Å
96V96.8Very high96Very high1 Ų128.7 Ų28.71%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-153.7148.517760.50000110L53 S55 L56 F98 F134 L170L53-V96 HydrophobicContact CD1-CG1 4.47Å; L53-V96 HydrophobicContact CD2-CG1 4.19Å; L53-V96 HydrophobicContact CG-CG1 4.31Å; S55-V96 WeakPolarHBondContact OG-CG1 3.38Å; L56-V96 PolarHBondContact N-O 2.72Å; V96-F98 HydrophobicContact CB-CE2 4.41Å; V96-F98 HydrophobicContact CG1-CD2 4.31Å; V96-F98 HydrophobicContact CG1-CE2 3.6Å; V96-F98 HydrophobicContact CG1-CZ 4.14Å; V96-F98 HydrophobicContact CG2-CD2 4.36Å; V96-F98 HydrophobicContact CG2-CE1 4.26Å; V96-F98 HydrophobicContact CG2-CE2 3.88Å; V96-F98 HydrophobicContact CG2-CZ 3.82Å; V96-F134 HydrophobicContact CG2-CD2 3.55Å; V96-F134 HydrophobicContact CG2-CE2 3.67Å; V96-L170 HydrophobicContact CB-CD1 3.89Å; V96-L170 HydrophobicContact CG1-CD1 3.81Å; V96-L170 HydrophobicContact CG2-CD1 3.71Å
97V97Very high95.8Very high0 Ų024.3 Ų24.30%012%0.122CC..EExtended strand (participates in β ladder)trans-116.2130.5169.6-174.90000109.7L56 F85 L89 V99 V131 P132 I133 F134L56-V97 HydrophobicContact CB-CG2 4.23Å; L56-V97 HydrophobicContact CD2-CG1 4.48Å; L56-V97 HydrophobicContact CD2-CG2 4.31Å; L56-V97 CarbonylContact O-C 3.53Å; L56-V97 VanDerWaalsContact O-CA 3.29Å; L56-V97 WeakPolarHBondContact O-CA 3.32Å; F85-V97 HydrophobicContact CE2-CG1 3.93Å; F85-V97 HydrophobicContact CE2-CG2 4.09Å; F85-V97 HydrophobicContact CZ-CG1 4.38Å; F85-V97 HydrophobicContact CZ-CG2 4.1Å; L89-V97 HydrophobicContact CD2-CG2 4.07Å; V97-V99 HydrophobicContact CG1-CG2 4.17Å; V97-V131 HydrophobicContact CG2-CG1 3.92Å; V97-P132 PolarHBondContact N-O 2.89Å; V97-I133 HydrophobicContact CB-CG1 4.11Å; V97-I133 HydrophobicContact CB-CG2 4.39Å; V97-I133 HydrophobicContact CG1-CG2 4.44Å; V97-I133 HydrophobicContact CG2-CG1 4.43Å; V97-I133 CarbonylContact O-C 3.6Å; V97-I133 WeakPolarHBondContact O-CA 3.5Å; V97-F134 PolarHBondContact O-N 3.48Å
98F96.1Very high95.7Very high1 Ų126.4 Ų26.40%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-107.7133168.4-63.2-77.4000109.6L56 I57 L58 V96 F134 L170 F175 L177 L236L56-F98 PolarHBondContact O-N 3Å; I57-F98 CarbonylContact C-O 3.58Å; I57-F98 WeakPolarHBondContact CA-O 3.43Å; I57-F98 HydrophobicContact CG1-CB 4.46Å; L58-F98 PolarHBondContact N-O 3.33Å; V96-F98 HydrophobicContact CB-CE2 4.41Å; V96-F98 HydrophobicContact CG1-CD2 4.31Å; V96-F98 HydrophobicContact CG1-CE2 3.6Å; V96-F98 HydrophobicContact CG1-CZ 4.14Å; V96-F98 HydrophobicContact CG2-CD2 4.36Å; V96-F98 HydrophobicContact CG2-CE1 4.26Å; V96-F98 HydrophobicContact CG2-CE2 3.88Å; V96-F98 HydrophobicContact CG2-CZ 3.82Å; F98-F134 CarbonylContact C-O 3.59Å; F98-F134 WeakPolarHBondContact CA-O 3.46Å; F98-F134 HydrophobicContact CD1-CB 3.86Å; F98-F134 HydrophobicContact CD1-CD2 4.27Å; F98-F134 HydrophobicContact CD1-CG 4.46Å; F98-F134 HydrophobicContact CE1-CB 4.12Å; F98-F134 AromaticContact CE1-CD2 3.84Å; F98-F134 HydrophobicContact CE1-CD2 3.84Å; F98-F134 HydrophobicContact CE1-CG 4.25Å; F98-F134 HydrophobicContact CZ-CD2 4.48Å; F98-L170 HydrophobicContact CZ-CD1 3.83Å; F98-F175 HydrophobicContact CE1-CB 4.24Å; F98-F175 HydrophobicContact CE1-CD1 4.17Å; F98-F175 HydrophobicContact CE1-CG 4.23Å; F98-F175 AromaticContact CE2-CD1 3.63Å; F98-F175 HydrophobicContact CE2-CD1 3.63Å; F98-F175 AromaticContact CE2-CE1 3.65Å; F98-F175 HydrophobicContact CE2-CE1 3.65Å; F98-F175 HydrophobicContact CE2-CG 4.26Å; F98-F175 HydrophobicContact CE2-CZ 4.29Å; F98-F175 HydrophobicContact CZ-CB 4.08Å; F98-F175 AromaticContact CZ-CD1 3.39Å; F98-F175 HydrophobicContact CZ-CD1 3.39Å; F98-F175 HydrophobicContact CZ-CD2 4.11Å; F98-F175 AromaticContact CZ-CE1 3.84Å; F98-F175 HydrophobicContact CZ-CE1 3.84Å; F98-F175 HydrophobicContact CZ-CE2 4.49Å; F98-F175 AromaticContact CZ-CG 3.58Å; F98-F175 HydrophobicContact CZ-CG 3.58Å; F98-F175 HydrophobicContact CZ-CZ 4.39Å; F98-L177 HydrophobicContact CD1-CD2 3.93Å; F98-L177 HydrophobicContact CD1-CG 4.47Å; F98-L177 HydrophobicContact CE1-CD1 4.24Å; F98-L177 HydrophobicContact CE1-CD2 4.26Å; F98-L236 HydrophobicContact CB-CD2 3.98Å; F98-L236 HydrophobicContact CD1-CD1 4.01Å; F98-L236 HydrophobicContact CD1-CD2 4.27Å; F98-L236 HydrophobicContact CD2-CD2 3.85Å; F98-L236 HydrophobicContact CE1-CD1 4.2Å; F98-L236 HydrophobicContact CE2-CD2 4.41Å; F98-L236 HydrophobicContact CG-CD1 4.35Å; F98-L236 HydrophobicContact CG-CD2 3.77Å
99V95.5Very high95.5Very high2 Ų230.4 Ų30.41%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-115.5120.1176.2-171.30000108.9L58 P61 V97 G101 L103 F122 I133 F134 A135 V136L58-V99 HydrophobicContact CB-CG2 4.27Å; L58-V99 HydrophobicContact CD2-CG1 4.22Å; L58-V99 HydrophobicContact CD2-CG2 4.24Å; L58-V99 HydrophobicContact CG-CG1 4.38Å; L58-V99 CarbonylContact O-C 3.51Å; L58-V99 VanDerWaalsContact O-CA 3.29Å; L58-V99 WeakPolarHBondContact O-CA 3.38Å; P61-V99 HydrophobicContact CG-CG1 4.4Å; V97-V99 HydrophobicContact CG1-CG2 4.17Å; V99-G101 PolarHBondContact O-N 2.88Å; V99-L103 HydrophobicContact CG1-CD1 3.85Å; V99-L103 HydrophobicContact CG1-CG 4.29Å; V99-F122 HydrophobicContact CG1-CE2 4.38Å; V99-F122 HydrophobicContact CG1-CZ 4.3Å; V99-F122 HydrophobicContact CG2-CZ 4.13Å; V99-I133 HydrophobicContact CG2-CG2 3.83Å; V99-F134 PolarHBondContact N-O 3.15Å; V99-A135 HydrophobicContact CB-CB 4.01Å; V99-V136 PolarHBondContact O-N 3.45Å
100L93.1Very high95.4Very high4 Ų429.8 Ų29.82%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-96.268.8-170.2-55.1-172.9000111.9I57 L58 A59 A234 L236I57-L100 HydrophobicContact CG2-CD1 3.57Å; I57-L100 HydrophobicContact CG2-CD2 4.37Å; I57-L100 HydrophobicContact CG2-CG 3.78Å; L58-L100 PolarHBondContact O-N 3.49Å; A59-L100 HydrophobicContact CB-CB 4.03Å; L100-A234 VanDerWaalsContact C-CB 3.48Å; L100-A234 HydrophobicContact CB-CB 4.16Å; L100-L236 HydrophobicContact CD2-CB 3.65Å
101G92.8Very high95.4Very high0 Ų028.1 Ų28.10%014%0.138CC..SBendtrans75.4174171.900000114.7V99 L103 V136V99-G101 PolarHBondContact O-N 2.88Å; G101-L103 VanDerWaalsContact C-N 3.31Å; G101-L103 PolarHBondContact O-N 3.27Å; G101-V136 WeakPolarHBondContact CA-O 3.27Å; G101-V136 PolarHBondContact N-O 3.05Å; G101-V136 VanDerWaalsContact N-O 3.13Å
102D94.1Very high95.4Very high4 Ų429.3 Ų29.32%0.02114%0.141CC..  trans49.251.2176-67.8-13.7000112.7P61 H62 F104 G138 N139 H140 D141P61-D102 VanDerWaalsContact CD-O 3.26Å; P61-D102 WeakPolarHBondContact CD-O 3.3Å; H62-D102 WeakPolarHBondContact CA-O 3.19Å; H62-D102 IonicContact CE1-OD2 3.38Å; H62-D102 PolarHBondContact N-O 2.9Å; H62-D102 IonicContact NE2-OD2 3.5Å; D102-F104 PolarHBondContact O-N 3.03Å; D102-G138 VanDerWaalsContact OD1-C 3.27Å; D102-G138 VanDerWaalsContact OD1-CA 3.29Å; D102-G138 WeakPolarHBondContact OD1-CA 3.44Å; D102-N139 PolarHBondContact OD1-N 3.36Å; D102-N139 PolarHBondContact OD1-OD1 3.33Å; D102-N139 PolarHBondContact OD2-OD1 2.69Å; D102-N139 VanDerWaalsContact OD2-OD1 3.13Å; D102-H140 HydrophobicContact CB-CB 4.37Å; D102-H140 WeakPolarHBondContact OD1-CB 3.44Å; D102-H140 IonicContact OD1-CD2 3.58Å; D102-H140 PolarHBondContact OD1-N 2.78Å; D102-H140 IonicContact OD2-CD2 3.46Å; D102-D141 PolarHBondContact N-OD2 3.11Å; D102-D141 VanDerWaalsContact N-OD2 3.14Å
103L96.4Very high95.5Very high0 Ų030.5 Ų30.50%016%0.157CC..  trans-61.8-38.9174.3-83.168.8000110.7L63 V99 G101 F122 A135 D141 F156 F160L63-L103 WeakPolarHBondContact CB-O 3.44Å; L63-L103 VanDerWaalsContact CG-O 3.27Å; L63-L103 WeakPolarHBondContact CG-O 2.99Å; L63-L103 PolarHBondContact N-O 3.13Å; V99-L103 HydrophobicContact CG1-CD1 3.85Å; V99-L103 HydrophobicContact CG1-CG 4.29Å; G101-L103 VanDerWaalsContact C-N 3.31Å; G101-L103 PolarHBondContact O-N 3.27Å; L103-F122 HydrophobicContact CB-CD2 4.1Å; L103-F122 HydrophobicContact CB-CE2 4.26Å; L103-F122 HydrophobicContact CD2-CD1 4.06Å; L103-F122 HydrophobicContact CD2-CD2 3.76Å; L103-F122 HydrophobicContact CD2-CE1 3.9Å; L103-F122 HydrophobicContact CD2-CE2 3.6Å; L103-F122 HydrophobicContact CD2-CG 3.99Å; L103-F122 HydrophobicContact CD2-CZ 3.67Å; L103-F122 HydrophobicContact CG-CD2 3.83Å; L103-F122 HydrophobicContact CG-CE2 3.53Å; L103-F122 HydrophobicContact CG-CZ 4Å; L103-A135 HydrophobicContact CD1-CB 4.17Å; L103-A135 HydrophobicContact CD2-CB 3.76Å; L103-D141 WeakPolarHBondContact CA-OD1 3.37Å; L103-D141 WeakPolarHBondContact CB-OD1 3.35Å; L103-D141 PolarHBondContact N-OD1 3.13Å; L103-D141 PolarHBondContact N-OD2 2.71Å; L103-F156 HydrophobicContact CD1-CZ 4.34Å; L103-F156 HydrophobicContact CD2-CE2 4.31Å; L103-F156 HydrophobicContact CD2-CZ 4.32Å; L103-F160 HydrophobicContact CD2-CD1 4.29Å; L103-F160 HydrophobicContact CD2-CE1 3.63Å; L103-F160 HydrophobicContact CD2-CE2 4.06Å; L103-F160 HydrophobicContact CD2-CZ 3.49Å; L103-F160 VanDerWaalsContact CD2-CZ 3.49Å
104F96.7Very high95.5Very high0 Ų025.5 Ų25.50%013%0.131CC..BIsolated β-bridgetrans-119.3144.4-177.1-42.4-45.7000109.8L63 D102 F115 Y118 A119 F122 H140 D141 F160L63-F104 HydrophobicContact CB-CD1 4.43Å; L63-F104 HydrophobicContact CD1-CD1 4.21Å; L63-F104 HydrophobicContact CD1-CE1 4.35Å; D102-F104 PolarHBondContact O-N 3.03Å; F104-F115 HydrophobicContact CE2-CD2 4.23Å; F104-F115 AromaticContact CE2-CE2 3.79Å; F104-F115 HydrophobicContact CE2-CE2 3.79Å; F104-F115 HydrophobicContact CE2-CZ 4.37Å; F104-Y118 HydrophobicContact CB-CD2 4.23Å; F104-Y118 HydrophobicContact CD1-CG 4.39Å; F104-Y118 VanDerWaalsContact CE1-C 3.4Å; F104-Y118 WeakPolarHBondContact CE1-O 3.47Å; F104-Y118 HydrophobicContact CG-CD2 4.22Å; F104-Y118 HydrophobicContact CG-CG 4.4Å; F104-A119 HydrophobicContact CZ-CB 4.21Å; F104-F122 HydrophobicContact CE1-CB 4Å; F104-H140 CarbonylContact O-C 3.53Å; F104-H140 WeakPolarHBondContact O-CB 3.42Å; F104-D141 HydrophobicContact CD2-CB 4.4Å; F104-D141 WeakPolarHBondContact CD2-OD1 3.06Å; F104-D141 PolarHBondContact N-OD1 2.72Å; F104-F160 HydrophobicContact CE2-CE2 4.41Å; F104-F160 HydrophobicContact CZ-CE2 4.02Å; F104-F160 AromaticContact CZ-CZ 3.93Å; F104-F160 HydrophobicContact CZ-CZ 3.93Å
105D94.5Very high95.6Very high37 Ų3725.3 Ų25.320%0.19813%0.13CC..SBendtrans-78.3-27.4175.4-167.337.3000113H62 L63 H140H62-D105 HydrophobicContact CB-CB 4.27Å; H62-D105 IonicContact CE1-OD1 3.95Å; H62-D105 IonicContact ND1-OD1 2.69Å; H62-D105 PolarHBondContact ND1-OD1 3.31Å; H62-D105 VanDerWaalsContact ND1-OD1 3.13Å; L63-D105 PolarHBondContact O-N 3.04Å; D105-H140 PolarHBondContact O-ND1 3.38Å; D105-H140 IonicContact OD1-CE1 3.63Å; D105-H140 IonicContact OD1-ND1 3.05Å; D105-H140 PolarHBondContact OD1-ND1 2.98Å
106E94.7Very high95.7Very high0 Ų024.6 Ų24.60%013%0.128CC..SBendtrans-129.921.4-172.1-56.2-176.2155.600112.8G65 V66 W67 R68 M108 W109 Y118G65-E106 VanDerWaalsContact CA-CD 3.46Å; G65-E106 WeakPolarHBondContact CA-OE2 3.31Å; V66-E106 PolarHBondContact N-OE2 3.35Å; W67-E106 HydrophobicContact CE3-CB 3.88Å; W67-E106 HydrophobicContact CE3-CG 4.38Å; W67-E106 HydrophobicContact CZ3-CB 4.04Å; W67-E106 PolarHBondContact N-OE2 3.2Å; R68-E106 WeakPolarHBondContact CA-OE1 3.14Å; R68-E106 WeakPolarHBondContact CB-OE1 3.35Å; R68-E106 WeakPolarHBondContact CG-OE1 3.36Å; R68-E106 PolarHBondContact N-OE1 2.88Å; E106-M108 PolarHBondContact O-N 3.5Å; E106-W109 HydrophobicContact CB-CE3 3.76Å; E106-W109 HydrophobicContact CB-CZ3 4.11Å; E106-W109 HydrophobicContact CG-CE3 3.76Å; E106-W109 HydrophobicContact CG-CZ3 3.58Å; E106-W109 PolarHBondContact O-N 2.93Å; E106-W109 WeakPolarHBondContact OE1-CZ3 3.37Å; E106-Y118 HydrophobicContact CB-CE2 4.47Å
107G95.1Very high95.8Very high0 Ų032.8 Ų32.80%016%0.159CC..G310 helixtrans-58.5-36.2-179.300000112.7W109 S110 H140 D141G107-W109 PolarHBondContact O-N 2.83Å; G107-W109 VanDerWaalsContact O-N 3.1Å; G107-S110 WeakPolarHBondContact O-CB 3.45Å; G107-S110 PolarHBondContact O-N 3.26Å; G107-S110 PolarHBondContact O-OG 3.27Å; G107-H140 CarbonylContact C-O 3.55Å; G107-H140 WeakPolarHBondContact CA-O 3.48Å; G107-H140 PolarHBondContact N-O 3.46Å; G107-D141 CarbonylContact C-O 3.38Å; G107-D141 WeakPolarHBondContact CA-O 3.49Å
108M94.1Very high95.9Very high45 Ų4532.9 Ų32.922%0.22216%0.159CC..G310 helixtrans-60.2-20.117664.6-166.4173.500114.7E106 H140 D141 R152E106-M108 PolarHBondContact O-N 3.5Å; M108-H140 PolarHBondContact N-O 2.82Å; M108-D141 PolarHBondContact N-O 2.84Å; M108-R152 PolarHBondContact O-NE 3.39Å; M108-R152 PolarHBondContact O-NH1 3.34Å
109W94Very high95.9Very high99 Ų9933 Ų3338%0.37516%0.161SC..G310 helixtrans-99.8-5.9178.1-58.3-25.9000113.3W67 R68 E106 G107W67-W109 HydrophobicContact CD2-CE3 4.35Å; W67-W109 HydrophobicContact CE3-CB 3.99Å; W67-W109 AromaticContact CE3-CE3 3.72Å; W67-W109 HydrophobicContact CE3-CE3 3.72Å; W67-W109 HydrophobicContact CH2-CB 3.78Å; W67-W109 VanDerWaalsContact CH2-O 3.28Å; W67-W109 WeakPolarHBondContact CH2-O 3.2Å; W67-W109 HydrophobicContact CZ3-CB 3.46Å; W67-W109 VanDerWaalsContact CZ3-CB 3.46Å; W67-W109 HydrophobicContact CZ3-CE3 4.32Å; R68-W109 HydrophobicContact CG-CH2 4.49Å; R68-W109 HydrophobicContact CG-CZ3 4.19Å; R68-W109 VanDerWaalsContact CZ-CH2 3.43Å; E106-W109 HydrophobicContact CB-CE3 3.76Å; E106-W109 HydrophobicContact CB-CZ3 4.11Å; E106-W109 HydrophobicContact CG-CE3 3.76Å; E106-W109 HydrophobicContact CG-CZ3 3.58Å; E106-W109 PolarHBondContact O-N 2.93Å; E106-W109 WeakPolarHBondContact OE1-CZ3 3.37Å; G107-W109 PolarHBondContact O-N 2.83Å; G107-W109 VanDerWaalsContact O-N 3.1Å
110S94.6Very high96.1Very high0 Ų035.1 Ų35.10%018%0.178CC..  trans-76149.6-172.679.60000113G107 F115 R152G107-S110 WeakPolarHBondContact O-CB 3.45Å; G107-S110 PolarHBondContact O-N 3.26Å; G107-S110 PolarHBondContact O-OG 3.27Å; S110-F115 WeakPolarHBondContact OG-CB 3.48Å; S110-R152 PolarHBondContact O-NE 2.89Å; S110-R152 PolarHBondContact O-NH2 3.48Å
111D95.8Very high96.3Very high100 Ų10036.2 Ų36.254%0.53518%0.182SC..  trans-81.3-177.8155.466.913.8000110A113 L114 F115D111-A113 PolarHBondContact O-N 2.87Å; D111-A113 PolarHBondContact OD1-N 3.42Å; D111-L114 WeakPolarHBondContact OD1-CB 3.29Å; D111-L114 PolarHBondContact OD1-N 2.81Å; D111-F115 VanDerWaalsContact O-CB 3.27Å; D111-F115 WeakPolarHBondContact O-CB 3.43Å; D111-F115 PolarHBondContact O-N 3.05Å
112K97.2Very high96.5Very high82 Ų8236.5 Ų36.536%0.35718%0.183SC..Hα-helixtrans-62.6-41.3-178.8-179.155.2164.976.10112.4F115 D116 W155K112-F115 WeakPolarHBondContact O-CB 3.46Å; K112-F115 PolarHBondContact O-N 3.32Å; K112-D116 IonicContact NZ-OD1 3.35Å; K112-D116 PolarHBondContact NZ-OD1 3.03Å; K112-D116 IonicContact NZ-OD2 3.64Å; K112-D116 PolarHBondContact NZ-OD2 2.74Å; K112-D116 VanDerWaalsContact O-CG 3.22Å; K112-D116 PolarHBondContact O-N 2.8Å; K112-W155 HydrophobicContact CB-CH2 3.85Å; K112-W155 HydrophobicContact CB-CZ2 3.7Å; K112-W155 HydrophobicContact CB-CZ3 4.32Å; K112-W155 HydrophobicContact CD-CD2 3.68Å; K112-W155 HydrophobicContact CD-CE3 4.23Å; K112-W155 HydrophobicContact CD-CG 3.83Å; K112-W155 HydrophobicContact CD-CZ2 4.18Å; K112-W155 HydrophobicContact CG-CZ2 4.38Å
113A98.3Very high96.7Very high63 Ų6341.3 Ų41.352%0.52121%0.207SC..Hα-helixtrans-68.5-41.6-176.600000111.4D111 D116 R117D111-A113 PolarHBondContact O-N 2.87Å; D111-A113 PolarHBondContact OD1-N 3.42Å; A113-D116 PolarHBondContact O-N 2.86Å; A113-R117 WeakPolarHBondContact O-CG 3.31Å; A113-R117 PolarHBondContact O-N 2.87Å; A113-R117 VanDerWaalsContact O-N 3.15Å
114L97.5Very high96.7Very high18 Ų1848.5 Ų48.59%0.09424%0.24CC..Hα-helixtrans-70.6-37175.7-177.462.2000111.8V66 W67 D111 D116 R117 Y118V66-L114 HydrophobicContact CG1-CD1 4.09Å; V66-L114 HydrophobicContact CG2-CD1 4.5Å; V66-L114 HydrophobicContact CG2-CD2 3.95Å; W67-L114 HydrophobicContact CH2-CD2 3.23Å; W67-L114 HydrophobicContact CZ2-CD2 3.92Å; W67-L114 HydrophobicContact CZ3-CD2 3.63Å; D111-L114 WeakPolarHBondContact OD1-CB 3.29Å; D111-L114 PolarHBondContact OD1-N 2.81Å; L114-D116 PolarHBondContact O-N 2.82Å; L114-R117 WeakPolarHBondContact O-CB 3.48Å; L114-R117 PolarHBondContact O-N 3.39Å; L114-Y118 HydrophobicContact CD1-CD1 4.23Å; L114-Y118 HydrophobicContact CD1-CE1 3.7Å; L114-Y118 HydrophobicContact CD1-CE2 4.32Å; L114-Y118 HydrophobicContact CD2-CE2 4.18Å; L114-Y118 HydrophobicContact CG-CD2 4.37Å; L114-Y118 HydrophobicContact CG-CE1 4.2Å; L114-Y118 HydrophobicContact CG-CE2 3.89Å; L114-Y118 PolarHBondContact O-N 3.13Å
115F97.9Very high96.8Very high0 Ų049.3 Ų49.30%025%0.245CC..Hα-helixtrans-55.9-50.3171.5177.9-90.6000111.2F104 S110 D111 K112 R117 Y118 A119 W155 F156 T159 F160F104-F115 HydrophobicContact CE2-CD2 4.23Å; F104-F115 AromaticContact CE2-CE2 3.79Å; F104-F115 HydrophobicContact CE2-CE2 3.79Å; F104-F115 HydrophobicContact CE2-CZ 4.37Å; S110-F115 WeakPolarHBondContact OG-CB 3.48Å; D111-F115 VanDerWaalsContact O-CB 3.27Å; D111-F115 WeakPolarHBondContact O-CB 3.43Å; D111-F115 PolarHBondContact O-N 3.05Å; K112-F115 WeakPolarHBondContact O-CB 3.46Å; K112-F115 PolarHBondContact O-N 3.32Å; F115-R117 VanDerWaalsContact C-N 3.26Å; F115-R117 PolarHBondContact O-N 2.88Å; F115-Y118 WeakPolarHBondContact O-CB 3.31Å; F115-Y118 PolarHBondContact O-N 3.12Å; F115-A119 HydrophobicContact CE1-CB 4.47Å; F115-A119 PolarHBondContact O-N 2.85Å; F115-W155 HydrophobicContact CB-CE3 4.07Å; F115-W155 HydrophobicContact CB-CZ3 4.46Å; F115-W155 HydrophobicContact CD1-CB 3.88Å; F115-W155 HydrophobicContact CD2-CE3 4.41Å; F115-W155 HydrophobicContact CE1-CB 3.71Å; F115-W155 HydrophobicContact CE2-CB 4.41Å; F115-W155 HydrophobicContact CG-CB 4.33Å; F115-W155 HydrophobicContact CG-CE3 4.08Å; F115-W155 HydrophobicContact CZ-CB 4.02Å; F115-F156 HydrophobicContact CE2-CB 4.38Å; F115-F156 HydrophobicContact CE2-CD2 4.38Å; F115-F156 HydrophobicContact CZ-CB 4.23Å; F115-F156 HydrophobicContact CZ-CD2 4.49Å; F115-T159 HydrophobicContact CE1-CG2 4.4Å; F115-F160 HydrophobicContact CZ-CE2 4.4Å
116D98.3Very high97Very high61 Ų6147.9 Ų47.933%0.32624%0.237SC..Hα-helixtrans-61-37.5179.7-69.5-22.2000111.9K112 A113 L114 A119 A120K112-D116 IonicContact NZ-OD1 3.35Å; K112-D116 PolarHBondContact NZ-OD1 3.03Å; K112-D116 IonicContact NZ-OD2 3.64Å; K112-D116 PolarHBondContact NZ-OD2 2.74Å; K112-D116 VanDerWaalsContact O-CG 3.22Å; K112-D116 PolarHBondContact O-N 2.8Å; A113-D116 PolarHBondContact O-N 2.86Å; L114-D116 PolarHBondContact O-N 2.82Å; D116-A119 PolarHBondContact O-N 3.33Å; D116-A120 VanDerWaalsContact O-CB 3.3Å; D116-A120 WeakPolarHBondContact O-CB 3.31Å; D116-A120 PolarHBondContact O-N 2.87Å
117R98.2Very high97Very high172 Ų17249.8 Ų49.865%0.64925%0.249SC*.Hα-helixtrans-65.7-40.3174.5-72.2176.266.9-168.40.2112A113 L114 F115 R121A113-R117 WeakPolarHBondContact O-CG 3.31Å; A113-R117 PolarHBondContact O-N 2.87Å; A113-R117 VanDerWaalsContact O-N 3.15Å; L114-R117 WeakPolarHBondContact O-CB 3.48Å; L114-R117 PolarHBondContact O-N 3.39Å; F115-R117 VanDerWaalsContact C-N 3.26Å; F115-R117 PolarHBondContact O-N 2.88Å; R117-R121 VanDerWaalsContact O-CB 3.25Å; R117-R121 WeakPolarHBondContact O-CB 3.37Å; R117-R121 PolarHBondContact O-N 3.25Å
118Y98.1Very high96.8Very high3 Ų352.7 Ų52.71%0.01227%0.27CS..Hα-helixtrans-65.8-43.7175-70.7-17.9000111.9G65 V66 F104 E106 L114 F115 R121 F122G65-Y118 VanDerWaalsContact CA-OH 3.23Å; G65-Y118 WeakPolarHBondContact CA-OH 3.46Å; V66-Y118 HydrophobicContact CG1-CE1 4.34Å; V66-Y118 PolarHBondContact N-OH 3.34Å; V66-Y118 VanDerWaalsContact N-OH 3.11Å; F104-Y118 HydrophobicContact CB-CD2 4.23Å; F104-Y118 HydrophobicContact CD1-CG 4.39Å; F104-Y118 VanDerWaalsContact CE1-C 3.4Å; F104-Y118 WeakPolarHBondContact CE1-O 3.47Å; F104-Y118 HydrophobicContact CG-CD2 4.22Å; F104-Y118 HydrophobicContact CG-CG 4.4Å; E106-Y118 HydrophobicContact CB-CE2 4.47Å; L114-Y118 HydrophobicContact CD1-CD1 4.23Å; L114-Y118 HydrophobicContact CD1-CE1 3.7Å; L114-Y118 HydrophobicContact CD1-CE2 4.32Å; L114-Y118 HydrophobicContact CD2-CE2 4.18Å; L114-Y118 HydrophobicContact CG-CD2 4.37Å; L114-Y118 HydrophobicContact CG-CE1 4.2Å; L114-Y118 HydrophobicContact CG-CE2 3.89Å; L114-Y118 PolarHBondContact O-N 3.13Å; F115-Y118 WeakPolarHBondContact O-CB 3.31Å; F115-Y118 PolarHBondContact O-N 3.12Å; Y118-R121 PolarHBondContact O-N 2.93Å; Y118-F122 PolarHBondContact O-N 2.83Å
119A98.1Very high96.7Very high4 Ų455.9 Ų55.93%0.03329%0.288CS..Hα-helixtrans-62.4-46175.700000112.5F104 F115 D116 R121 F122 M123 T159 F160F104-A119 HydrophobicContact CZ-CB 4.21Å; F115-A119 HydrophobicContact CE1-CB 4.47Å; F115-A119 PolarHBondContact O-N 2.85Å; D116-A119 PolarHBondContact O-N 3.33Å; A119-R121 VanDerWaalsContact C-N 3.31Å; A119-R121 PolarHBondContact O-N 3.23Å; A119-F122 WeakPolarHBondContact O-CB 3.5Å; A119-F122 PolarHBondContact O-N 3.1Å; A119-M123 WeakPolarHBondContact O-CG 3.21Å; A119-M123 PolarHBondContact O-N 2.91Å; A119-T159 HydrophobicContact CB-CG2 3.69Å; A119-F160 HydrophobicContact CB-CE2 4.48Å; A119-F160 HydrophobicContact CB-CZ 4.22Å
120A98.1Very high96.7Very high45 Ų4554.6 Ų54.637%0.37231%0.305SS..Hα-helixtrans-61.1-41175.600000111.7D116 F122 M123 Q124D116-A120 VanDerWaalsContact O-CB 3.3Å; D116-A120 WeakPolarHBondContact O-CB 3.31Å; D116-A120 PolarHBondContact O-N 2.87Å; A120-F122 VanDerWaalsContact C-N 3.35Å; A120-M123 PolarHBondContact O-N 3.12Å; A120-Q124 VanDerWaalsContact O-CG 3.3Å; A120-Q124 WeakPolarHBondContact O-CG 3.48Å; A120-Q124 PolarHBondContact O-N 2.86Å; A120-Q124 VanDerWaalsContact O-N 3.09Å
121R97.7Very high96.8Very high28 Ų2855.5 Ų55.511%0.10631%0.311CS..Hα-helixtrans-64.4-38.4175.3-175.7176.463.3176.37.4112L63 L64 E78 R117 Y118 A119 Q124 V125L63-R121 HydrophobicContact CD1-CG 4.45Å; L63-R121 PolarHBondContact O-NH2 2.94Å; L64-R121 PolarHBondContact O-NH1 3.09Å; L64-R121 PolarHBondContact O-NH2 3.2Å; E78-R121 WeakPolarHBondContact OE1-CD 3.37Å; E78-R121 IonicContact OE1-CZ 3.8Å; E78-R121 IonicContact OE1-NE 3.91Å; E78-R121 IonicContact OE1-NH1 3.84Å; E78-R121 PolarHBondContact OE1-NH1 3.16Å; R117-R121 VanDerWaalsContact O-CB 3.25Å; R117-R121 WeakPolarHBondContact O-CB 3.37Å; R117-R121 PolarHBondContact O-N 3.25Å; Y118-R121 PolarHBondContact O-N 2.93Å; A119-R121 VanDerWaalsContact C-N 3.31Å; A119-R121 PolarHBondContact O-N 3.23Å; R121-Q124 WeakPolarHBondContact O-CB 3.47Å; R121-Q124 PolarHBondContact O-N 2.84Å; R121-Q124 VanDerWaalsContact O-N 3.16Å; R121-V125 HydrophobicContact CG-CG2 4.42Å; R121-V125 WeakPolarHBondContact O-CG2 3.26Å; R121-V125 PolarHBondContact O-N 3.34Å
122F98.3Very high96.9Very high6 Ų653.8 Ų53.83%0.02631%0.305CS..Hα-helixtrans-60.1-46.8173.7177.5-90000112.1P61 L63 V99 L103 F104 Y118 A119 A120 Q124 V125 F126 F160P61-F122 HydrophobicContact CG-CE2 4.34Å; L63-F122 VanDerWaalsContact CD1-CA 3.44Å; L63-F122 HydrophobicContact CD1-CB 3.55Å; L63-F122 HydrophobicContact CD1-CD2 4.01Å; L63-F122 HydrophobicContact CD1-CG 4.29Å; V99-F122 HydrophobicContact CG1-CE2 4.38Å; V99-F122 HydrophobicContact CG1-CZ 4.3Å; V99-F122 HydrophobicContact CG2-CZ 4.13Å; L103-F122 HydrophobicContact CB-CD2 4.1Å; L103-F122 HydrophobicContact CB-CE2 4.26Å; L103-F122 HydrophobicContact CD2-CD1 4.06Å; L103-F122 HydrophobicContact CD2-CD2 3.76Å; L103-F122 HydrophobicContact CD2-CE1 3.9Å; L103-F122 HydrophobicContact CD2-CE2 3.6Å; L103-F122 HydrophobicContact CD2-CG 3.99Å; L103-F122 HydrophobicContact CD2-CZ 3.67Å; L103-F122 HydrophobicContact CG-CD2 3.83Å; L103-F122 HydrophobicContact CG-CE2 3.53Å; L103-F122 HydrophobicContact CG-CZ 4Å; F104-F122 HydrophobicContact CE1-CB 4Å; Y118-F122 PolarHBondContact O-N 2.83Å; A119-F122 WeakPolarHBondContact O-CB 3.5Å; A119-F122 PolarHBondContact O-N 3.1Å; A120-F122 VanDerWaalsContact C-N 3.35Å; F122-Q124 PolarHBondContact O-N 3.13Å; F122-V125 PolarHBondContact O-N 3.14Å; F122-F126 AromaticContact CD2-CD2 3.51Å; F122-F126 HydrophobicContact CD2-CD2 3.51Å; F122-F126 AromaticContact CD2-CE2 3.86Å; F122-F126 HydrophobicContact CD2-CE2 3.86Å; F122-F126 AromaticContact CE2-CD2 3.4Å; F122-F126 HydrophobicContact CE2-CD2 3.4Å; F122-F126 VanDerWaalsContact CE2-CD2 3.4Å; F122-F126 AromaticContact CE2-CE2 3.76Å; F122-F126 HydrophobicContact CE2-CE2 3.76Å; F122-F126 HydrophobicContact CE2-CG 4.18Å; F122-F126 HydrophobicContact CG-CD2 4.15Å; F122-F126 HydrophobicContact CZ-CB 4.39Å; F122-F126 AromaticContact CZ-CD2 3.99Å; F122-F126 HydrophobicContact CZ-CD2 3.99Å; F122-F126 HydrophobicContact CZ-CG 4.37Å; F122-F126 PolarHBondContact O-N 3.3Å; F122-F160 AromaticContact CD1-CE1 3.79Å; F122-F160 HydrophobicContact CD1-CE1 3.79Å; F122-F160 HydrophobicContact CD1-CZ 4.27Å; F122-F160 HydrophobicContact CE1-CE1 4.02Å
123M97.1Very high96.8Very high105 Ų10552 Ų5252%0.51730%0.299SS..Hα-helixtrans-64-24.1176.3-63.9176.9-176.800113.1A119 A120 T159A119-M123 WeakPolarHBondContact O-CG 3.21Å; A119-M123 PolarHBondContact O-N 2.91Å; A120-M123 PolarHBondContact O-N 3.12Å; M123-T159 HydrophobicContact CE-CG2 4.26Å
124Q97.4Very high96.7Very high150 Ų15050.4 Ų50.470%0.70128%0.28SS*.Hα-helixtrans-79.4-42.2174.4-71.3169.24.900112.9A120 R121 F122A120-Q124 VanDerWaalsContact O-CG 3.3Å; A120-Q124 WeakPolarHBondContact O-CG 3.48Å; A120-Q124 PolarHBondContact O-N 2.86Å; A120-Q124 VanDerWaalsContact O-N 3.09Å; R121-Q124 WeakPolarHBondContact O-CB 3.47Å; R121-Q124 PolarHBondContact O-N 2.84Å; R121-Q124 VanDerWaalsContact O-N 3.16Å; F122-Q124 PolarHBondContact O-N 3.13Å
125V98.1Very high96.6Very high17 Ų1749.6 Ų49.610%0.10328%0.277CS..Hα-helixtrans-73.1-34.9179.1175.60000111L63 E78 M81 G82 R121 F122 P127L63-V125 HydrophobicContact CD2-CB 4.34Å; L63-V125 HydrophobicContact CD2-CG1 4.31Å; L63-V125 HydrophobicContact CD2-CG2 4.11Å; E78-V125 HydrophobicContact CB-CG2 4.11Å; E78-V125 HydrophobicContact CG-CG2 4.35Å; M81-V125 HydrophobicContact CB-CG1 3.93Å; G82-V125 WeakPolarHBondContact CA-O 3.43Å; R121-V125 HydrophobicContact CG-CG2 4.42Å; R121-V125 WeakPolarHBondContact O-CG2 3.26Å; R121-V125 PolarHBondContact O-N 3.34Å; F122-V125 PolarHBondContact O-N 3.14Å; V125-P127 WeakPolarHBondContact O-CD 3.48Å
126F98Very high96.4Very high7 Ų749.9 Ų49.93%0.03128%0.278CS..SBendtrans-117.168.5-179.8-57.1-78.2000111L58 P61 L63 M81 F85 F122 S128 I133L58-F126 HydrophobicContact CD2-CD1 3.83Å; L58-F126 HydrophobicContact CD2-CE1 3.43Å; L58-F126 VanDerWaalsContact CD2-CE1 3.43Å; L58-F126 HydrophobicContact CD2-CZ 3.86Å; P61-F126 HydrophobicContact CB-CE2 3.84Å; P61-F126 HydrophobicContact CB-CZ 3.6Å; P61-F126 HydrophobicContact CG-CE2 4.42Å; L63-F126 HydrophobicContact CD2-CE2 4.27Å; M81-F126 HydrophobicContact CB-CE1 4.2Å; M81-F126 HydrophobicContact CB-CZ 3.93Å; M81-F126 HydrophobicContact CG-CZ 4.33Å; M81-F126 HydrophobicContact SD-CZ 3.87Å; F85-F126 HydrophobicContact CB-CD1 3.89Å; F85-F126 HydrophobicContact CB-CE1 4.19Å; F85-F126 HydrophobicContact CD1-CB 4.08Å; F85-F126 AromaticContact CD1-CD1 3.87Å; F85-F126 HydrophobicContact CD1-CD1 3.87Å; F85-F126 HydrophobicContact CD1-CG 4.47Å; F85-F126 AromaticContact CD2-CD1 3.92Å; F85-F126 HydrophobicContact CD2-CD1 3.92Å; F85-F126 HydrophobicContact CE1-CB 3.9Å; F85-F126 HydrophobicContact CE1-CD1 4.33Å; F85-F126 HydrophobicContact CE2-CD1 4.4Å; F85-F126 AromaticContact CG-CD1 3.62Å; F85-F126 HydrophobicContact CG-CD1 3.62Å; F85-F126 HydrophobicContact CG-CE1 4.34Å; F85-F126 HydrophobicContact CZ-CB 4.34Å; F122-F126 AromaticContact CD2-CD2 3.51Å; F122-F126 HydrophobicContact CD2-CD2 3.51Å; F122-F126 AromaticContact CD2-CE2 3.86Å; F122-F126 HydrophobicContact CD2-CE2 3.86Å; F122-F126 AromaticContact CE2-CD2 3.4Å; F122-F126 HydrophobicContact CE2-CD2 3.4Å; F122-F126 VanDerWaalsContact CE2-CD2 3.4Å; F122-F126 AromaticContact CE2-CE2 3.76Å; F122-F126 HydrophobicContact CE2-CE2 3.76Å; F122-F126 HydrophobicContact CE2-CG 4.18Å; F122-F126 HydrophobicContact CG-CD2 4.15Å; F122-F126 HydrophobicContact CZ-CB 4.39Å; F122-F126 AromaticContact CZ-CD2 3.99Å; F122-F126 HydrophobicContact CZ-CD2 3.99Å; F122-F126 HydrophobicContact CZ-CG 4.37Å; F122-F126 PolarHBondContact O-N 3.3Å; F126-S128 PolarHBondContact O-N 2.9Å; F126-I133 WeakPolarHBondContact O-CD1 3.14Å
127P95.4Very high96.2Very high40 Ų4047.4 Ų47.426%0.2627%0.265SS..  trans-65.9129.4-178.828.2-35000110.8F85 V125 N129F85-P127 WeakPolarHBondContact CE1-O 3.29Å; V125-P127 WeakPolarHBondContact O-CD 3.48Å; P127-N129 VanDerWaalsContact C-N 3.31Å; P127-N129 PolarHBondContact O-N 3.45Å
128S91.5Very high95.8Very high61 Ų6139.2 Ų39.243%0.42723%0.234SC..  trans-63.6-33.5-176.462.20000113.7F126 G130 V131F126-S128 PolarHBondContact O-N 2.9Å; S128-G130 PolarHBondContact O-N 2.9Å; S128-V131 VanDerWaalsContact CB-O 3.31Å; S128-V131 WeakPolarHBondContact CB-O 3.29Å; S128-V131 WeakPolarHBondContact O-CA 2.9Å; S128-V131 VanDerWaalsContact O-CB 3.31Å; S128-V131 WeakPolarHBondContact O-CB 3.36Å; S128-V131 PolarHBondContact O-N 3.31Å
129N91.5Very high95.4Very high113 Ų11340.1 Ų40.160%0.60424%0.239SC*.THydrogen-bonded Turntrans48.233.2-174.3-66.1-23000113.3L89 P127L89-N129 HydrophobicContact CD1-CB 4.49Å; P127-N129 VanDerWaalsContact C-N 3.31Å; P127-N129 PolarHBondContact O-N 3.45Å
130G94.4Very high95.2Very high72 Ų7242.2 Ų42.274%0.74225%0.248SC*.THydrogen-bonded Turntrans87.5-8-176.700000115.3S128S128-G130 PolarHBondContact O-N 2.9Å
131V96.6Very high95Very high19 Ų1940.1 Ų40.112%0.11523%0.231CC..  trans-82.4124.4174.7-173.30000109.8L89 P94 V97 S128 I133L89-V131 HydrophobicContact CD2-CG2 4.47Å; P94-V131 WeakPolarHBondContact O-CG1 3.49Å; V97-V131 HydrophobicContact CG2-CG1 3.92Å; S128-V131 VanDerWaalsContact CB-O 3.31Å; S128-V131 WeakPolarHBondContact CB-O 3.29Å; S128-V131 WeakPolarHBondContact O-CA 2.9Å; S128-V131 VanDerWaalsContact O-CB 3.31Å; S128-V131 WeakPolarHBondContact O-CB 3.36Å; S128-V131 PolarHBondContact O-N 3.31Å; V131-I133 PolarHBondContact O-N 3.41Å
132P96.4Very high94.7Very high63 Ų6338.8 Ų38.841%0.40923%0.226SC..  trans-58.4132.9175-23.933.7000112.2E95 V97 F134E95-P132 WeakPolarHBondContact O-CD 3.47Å; V97-P132 PolarHBondContact N-O 2.89Å; P132-F134 HydrophobicContact CB-CE2 3.96Å; P132-F134 HydrophobicContact CB-CZ 4.41Å
133I96.7Very high94.2Very high45 Ų4538.5 Ų38.523%0.23123%0.225CC..EExtended strand (participates in β ladder)trans-117.1122.1175.8-53.5-173.6000108.9F85 V97 V99 F126 V131F85-I133 HydrophobicContact CE1-CD1 4.46Å; F85-I133 HydrophobicContact CZ-CD1 4.02Å; V97-I133 HydrophobicContact CB-CG1 4.11Å; V97-I133 HydrophobicContact CB-CG2 4.39Å; V97-I133 HydrophobicContact CG1-CG2 4.44Å; V97-I133 HydrophobicContact CG2-CG1 4.43Å; V97-I133 CarbonylContact O-C 3.6Å; V97-I133 WeakPolarHBondContact O-CA 3.5Å; V99-I133 HydrophobicContact CG2-CG2 3.83Å; F126-I133 WeakPolarHBondContact O-CD1 3.14Å; V131-I133 PolarHBondContact O-N 3.41Å
134F96.1Very high93.5Very high29 Ų2935 Ų3513%0.12721%0.207CC..EExtended strand (participates in β ladder)trans-111.7113.8173.9-61.4-80.7000109.7V96 V97 F98 V99 P132 M162 Q168 L170 L177V96-F134 HydrophobicContact CG2-CD2 3.55Å; V96-F134 HydrophobicContact CG2-CE2 3.67Å; V97-F134 PolarHBondContact O-N 3.48Å; F98-F134 CarbonylContact C-O 3.59Å; F98-F134 WeakPolarHBondContact CA-O 3.46Å; F98-F134 HydrophobicContact CD1-CB 3.86Å; F98-F134 HydrophobicContact CD1-CD2 4.27Å; F98-F134 HydrophobicContact CD1-CG 4.46Å; F98-F134 HydrophobicContact CE1-CB 4.12Å; F98-F134 AromaticContact CE1-CD2 3.84Å; F98-F134 HydrophobicContact CE1-CD2 3.84Å; F98-F134 HydrophobicContact CE1-CG 4.25Å; F98-F134 HydrophobicContact CZ-CD2 4.48Å; V99-F134 PolarHBondContact N-O 3.15Å; P132-F134 HydrophobicContact CB-CE2 3.96Å; P132-F134 HydrophobicContact CB-CZ 4.41Å; F134-M162 HydrophobicContact CB-SD 4.44Å; F134-M162 HydrophobicContact CD1-CE 3.75Å; F134-M162 HydrophobicContact CD1-SD 4.39Å; F134-M162 HydrophobicContact CE1-CE 4.43Å; F134-Q168 HydrophobicContact CE1-CG 3.98Å; F134-Q168 HydrophobicContact CE2-CG 3.99Å; F134-Q168 HydrophobicContact CZ-CG 3.66Å; F134-L170 HydrophobicContact CE2-CD1 4.35Å; F134-L177 HydrophobicContact CB-CD2 3.68Å
135A95.3Very high92.5Very high2 Ų230.7 Ų30.72%0.01719%0.186CC..EExtended strand (participates in β ladder)trans-113.1111.2-173.700000111.6V99 L103 F156 F160 M162V99-A135 HydrophobicContact CB-CB 4.01Å; L103-A135 HydrophobicContact CD1-CB 4.17Å; L103-A135 HydrophobicContact CD2-CB 3.76Å; A135-F156 WeakPolarHBondContact O-CE1 3.36Å; A135-F160 HydrophobicContact CB-CD1 3.98Å; A135-F160 HydrophobicContact CB-CE1 4.46Å; A135-F160 HydrophobicContact CB-CG 4.42Å; A135-M162 WeakPolarHBondContact O-CG 3.38Å
136V93.6Very high91.3Very high5 Ų539.9 Ų39.93%0.0322%0.221CC..EExtended strand (participates in β ladder)trans-77.2149.3175.6-168.20000109.5V99 G101 L177 V178 A234V99-V136 PolarHBondContact O-N 3.45Å; G101-V136 WeakPolarHBondContact CA-O 3.27Å; G101-V136 PolarHBondContact N-O 3.05Å; G101-V136 VanDerWaalsContact N-O 3.13Å; V136-L177 HydrophobicContact CG2-CB 3.75Å; V136-L177 HydrophobicContact CG2-CD2 3.61Å; V136-L177 HydrophobicContact CG2-CG 4.1Å; V136-V178 WeakPolarHBondContact CG1-O 3.27Å; V136-A234 HydrophobicContact CB-CB 3.5Å; V136-A234 VanDerWaalsContact CB-CB 3.5Å; V136-A234 HydrophobicContact CG1-CB 3.43Å; V136-A234 VanDerWaalsContact CG1-CB 3.43Å; V136-A234 HydrophobicContact CG2-CB 4.3Å
137V92.5Very high90.2Very high10 Ų1045.8 Ų45.86%0.06125%0.253CS..  trans-75.5139.9176.9660000111.5D141 T142 L153 F156 N179 M181V137-D141 HydrophobicContact CG2-CB 3.91Å; V137-T142 HydrophobicContact CG2-CG2 3.58Å; V137-T142 WeakPolarHBondContact CG2-OG1 3.43Å; V137-L153 HydrophobicContact CG1-CD2 4.37Å; V137-L153 HydrophobicContact CG2-CD2 4.34Å; V137-F156 VanDerWaalsContact CA-CZ 3.48Å; V137-F156 HydrophobicContact CB-CD1 3.68Å; V137-F156 HydrophobicContact CB-CD2 4.27Å; V137-F156 HydrophobicContact CB-CE1 3.57Å; V137-F156 HydrophobicContact CB-CE2 4.16Å; V137-F156 HydrophobicContact CB-CG 4.04Å; V137-F156 HydrophobicContact CB-CZ 3.82Å; V137-F156 HydrophobicContact CG2-CD1 4.06Å; V137-F156 HydrophobicContact CG2-CD2 3.9Å; V137-F156 HydrophobicContact CG2-CE1 4.26Å; V137-F156 HydrophobicContact CG2-CE2 4.09Å; V137-F156 HydrophobicContact CG2-CG 3.88Å; V137-F156 HydrophobicContact CG2-CZ 4.28Å; V137-N179 HydrophobicContact CG1-CB 3.75Å; V137-N179 VanDerWaalsContact CG1-ND2 3.34Å; V137-N179 WeakPolarHBondContact CG1-ND2 3.46Å; V137-M181 HydrophobicContact CB-CE 4.49Å; V137-M181 HydrophobicContact CG1-CE 3.94Å; V137-M181 HydrophobicContact CG2-CE 3.98Å
138G91Very high89.5Confident0 Ų045.3 Ų45.30%025%0.248CC..  trans-113.7179.7167.700000113.4D102 D141 M181D102-G138 VanDerWaalsContact OD1-C 3.27Å; D102-G138 VanDerWaalsContact OD1-CA 3.29Å; D102-G138 WeakPolarHBondContact OD1-CA 3.44Å; G138-D141 PolarHBondContact N-OD2 2.83Å; G138-D141 WeakPolarHBondContact O-CB 3.42Å; G138-D141 PolarHBondContact O-N 3.02Å; G138-M181 VanDerWaalsContact O-CE 3.27Å; G138-M181 WeakPolarHBondContact O-CE 3.5Å
139N90.3Very high89.1Confident21 Ų2146.4 Ų46.411%0.11225%0.246CC..Hα-helixtrans-71.7-32.8-17863.6-43.5000113D102 D141 G143 F144 M181 S232D102-N139 PolarHBondContact OD1-N 3.36Å; D102-N139 PolarHBondContact OD1-OD1 3.33Å; D102-N139 PolarHBondContact OD2-OD1 2.69Å; D102-N139 VanDerWaalsContact OD2-OD1 3.13Å; N139-D141 PolarHBondContact O-N 2.89Å; N139-G143 CarbonylContact O-C 3.57Å; N139-G143 WeakPolarHBondContact O-CA 3.44Å; N139-G143 PolarHBondContact O-N 3.32Å; N139-F144 HydrophobicContact CB-CB 3.92Å; N139-M181 VanDerWaalsContact CA-SD 3.51Å; N139-M181 HydrophobicContact CB-SD 3.84Å; N139-S232 PolarHBondContact N-O 3Å; N139-S232 PolarHBondContact OD1-O 2.89Å
140H92.6Very high88.9Confident49 Ų4945.7 Ų45.723%0.22725%0.248CC..Hα-helixtrans-70.2-22.7175.5-78.5-107.2000112.4H62 D102 F104 D105 G107 M108H62-H140 AromaticContact CE1-CD2 3.52Å; H62-H140 AromaticContact CE1-CE1 3.83Å; H62-H140 AromaticContact CE1-CG 3.56Å; H62-H140 AromaticContact CE1-ND1 3.76Å; H62-H140 AromaticContact CE1-NE2 3.73Å; H62-H140 AromaticContact ND1-CG 3.97Å; H62-H140 AromaticContact ND1-ND1 3.92Å; D102-H140 HydrophobicContact CB-CB 4.37Å; D102-H140 WeakPolarHBondContact OD1-CB 3.44Å; D102-H140 IonicContact OD1-CD2 3.58Å; D102-H140 PolarHBondContact OD1-N 2.78Å; D102-H140 IonicContact OD2-CD2 3.46Å; F104-H140 CarbonylContact O-C 3.53Å; F104-H140 WeakPolarHBondContact O-CB 3.42Å; D105-H140 PolarHBondContact O-ND1 3.38Å; D105-H140 IonicContact OD1-CE1 3.63Å; D105-H140 IonicContact OD1-ND1 3.05Å; D105-H140 PolarHBondContact OD1-ND1 2.98Å; G107-H140 CarbonylContact C-O 3.55Å; G107-H140 WeakPolarHBondContact CA-O 3.48Å; G107-H140 PolarHBondContact N-O 3.46Å; M108-H140 PolarHBondContact N-O 2.82Å
141D94.3Very high88.8Confident0 Ų045.2 Ų45.20%023%0.23CC..Hα-helixtrans-73.7-39.6178.5-60.4-42.6000112.7D102 L103 F104 G107 M108 V137 G138 N139 F156D102-D141 PolarHBondContact N-OD2 3.11Å; D102-D141 VanDerWaalsContact N-OD2 3.14Å; L103-D141 WeakPolarHBondContact CA-OD1 3.37Å; L103-D141 WeakPolarHBondContact CB-OD1 3.35Å; L103-D141 PolarHBondContact N-OD1 3.13Å; L103-D141 PolarHBondContact N-OD2 2.71Å; F104-D141 HydrophobicContact CD2-CB 4.4Å; F104-D141 WeakPolarHBondContact CD2-OD1 3.06Å; F104-D141 PolarHBondContact N-OD1 2.72Å; G107-D141 CarbonylContact C-O 3.38Å; G107-D141 WeakPolarHBondContact CA-O 3.49Å; M108-D141 PolarHBondContact N-O 2.84Å; V137-D141 HydrophobicContact CG2-CB 3.91Å; G138-D141 PolarHBondContact N-OD2 2.83Å; G138-D141 WeakPolarHBondContact O-CB 3.42Å; G138-D141 PolarHBondContact O-N 3.02Å; N139-D141 PolarHBondContact O-N 2.89Å; D141-F156 HydrophobicContact CB-CD2 4.06Å; D141-F156 HydrophobicContact CB-CE2 4Å
142T91.6Very high88.6Confident0 Ų046.6 Ų46.60%023%0.233CC..Hα-helixtrans-138.8-4.4-168.362.80000116V137 H149 R152 L153 F156V137-T142 HydrophobicContact CG2-CG2 3.58Å; V137-T142 WeakPolarHBondContact CG2-OG1 3.43Å; T142-H149 PolarHBondContact O-N 2.96Å; T142-R152 HydrophobicContact CG2-CB 4.03Å; T142-L153 HydrophobicContact CG2-CD2 4.28Å; T142-F156 HydrophobicContact CG2-CB 4.07Å; T142-F156 HydrophobicContact CG2-CD2 4.44Å; T142-F156 HydrophobicContact CG2-CG 4.5Å
143G87.6Confident88.5Confident1 Ų145 Ų451%0.0122%0.221CC..  trans95162.6-175.600000112.6N139 L148N139-G143 CarbonylContact O-C 3.57Å; N139-G143 WeakPolarHBondContact O-CA 3.44Å; N139-G143 PolarHBondContact O-N 3.32Å; G143-L148 WeakPolarHBondContact O-CD1 3Å
144F82.4Confident88.3Confident31 Ų3148.7 Ų48.714%0.13624%0.236CC..  trans-114.8143.4177.1-175.6-117.9000112N139 Y146 N147 M181 E229 C231N139-F144 HydrophobicContact CB-CB 3.92Å; F144-Y146 PolarHBondContact O-N 2.95Å; F144-Y146 VanDerWaalsContact O-N 3.13Å; F144-N147 WeakPolarHBondContact O-CB 3.24Å; F144-N147 PolarHBondContact O-N 2.9Å; F144-M181 HydrophobicContact CD2-CB 4.01Å; F144-M181 HydrophobicContact CD2-CG 3.74Å; F144-M181 HydrophobicContact CD2-SD 4.19Å; F144-M181 HydrophobicContact CE2-CB 4.2Å; F144-M181 HydrophobicContact CE2-CG 4.19Å; F144-E229 WeakPolarHBondContact CD1-OE2 3.37Å; F144-C231 HydrophobicContact CE2-CB 4.45Å
145H76.4Confident88.3Confident59 Ų5949.5 Ų49.527%0.27324%0.238SC..G310 helixtrans46.6-112.1174.1-164.865.4000113.3N147 L148 D186H145-N147 PolarHBondContact O-N 3.04Å; H145-L148 WeakPolarHBondContact O-CB 3.35Å; H145-L148 PolarHBondContact O-N 3.07Å; H145-L148 VanDerWaalsContact O-N 3.08Å; H145-D186 IonicContact CE1-OD2 2.65Å; H145-D186 PolarHBondContact CE1-OD2 3.26Å; H145-D186 IonicContact ND1-OD2 2.64Å
146Y72.6Confident88.4Confident210 Ų21049.6 Ų49.682%0.82424%0.238SC*.G310 helixtrans-64.5-22.6179.1-61.1-58.6000114.5F144F144-Y146 PolarHBondContact O-N 2.95Å; F144-Y146 VanDerWaalsContact O-N 3.13Å
147N75.5Confident88.4Confident131 Ų13151.4 Ų51.470%0.70125%0.251SS*.G310 helixtrans-89.2-6.7176.9-67.3-37.9000112.8F144 H145 H149F144-N147 WeakPolarHBondContact O-CB 3.24Å; F144-N147 PolarHBondContact O-N 2.9Å; H145-N147 PolarHBondContact O-N 3.04Å; N147-H149 PolarHBondContact O-N 3.17Å
148L80Confident88.6Confident31 Ų3156.8 Ų56.816%0.16228%0.275CS..  trans-67114.6178-175.973.8000109.8G143 H145 L153 M181 L190G143-L148 WeakPolarHBondContact O-CD1 3Å; H145-L148 WeakPolarHBondContact O-CB 3.35Å; H145-L148 PolarHBondContact O-N 3.07Å; H145-L148 VanDerWaalsContact O-N 3.08Å; L148-L153 HydrophobicContact CD1-CD1 3.73Å; L148-L153 HydrophobicContact CD1-CD2 3.99Å; L148-L153 HydrophobicContact CD1-CG 3.83Å; L148-L153 HydrophobicContact CD2-CD1 3.75Å; L148-L153 HydrophobicContact CG-CD1 3.71Å; L148-L153 HydrophobicContact CG-CG 4.27Å; L148-M181 HydrophobicContact CD1-CE 4.24Å; L148-M181 HydrophobicContact CD1-SD 4.21Å; L148-L190 HydrophobicContact CD2-CB 4.39Å; L148-L190 HydrophobicContact CD2-CD2 3.38Å; L148-L190 HydrophobicContact CD2-CG 4.46Å
149H83.6Confident88.9Confident84 Ų8459 Ų5939%0.38929%0.289SS..  trans-100.2117.6-177-162.7-82.8000111.3T142 N147 V151 R152 L153T142-H149 PolarHBondContact O-N 2.96Å; N147-H149 PolarHBondContact O-N 3.17Å; H149-V151 VanDerWaalsContact CE1-CG2 3.49Å; H149-V151 WeakPolarHBondContact CE1-CG2 3.23Å; H149-V151 WeakPolarHBondContact ND1-CB 3.48Å; H149-V151 PolarHBondContact ND1-N 3.28Å; H149-V151 PolarHBondContact O-N 3.08Å; H149-R152 HydrophobicContact CB-CB 4.44Å; H149-R152 HydrophobicContact CB-CG 4.24Å; H149-R152 PolarHBondContact O-N 3.42Å; H149-L153 PolarHBondContact O-N 3.42Å
150P87.7Confident89.1Confident98 Ų9859.5 Ų59.564%0.63629%0.29SS*.Hα-helixtrans-54.7-32.9-175.6-28.234.7000114.2K154P150-K154 WeakPolarHBondContact O-CB 3.35Å; P150-K154 PolarHBondContact O-N 3.41Å
151V92.2Very high89.2Confident62 Ų6259.6 Ų59.638%0.37630%0.304SS..Hα-helixtrans-68.4-37.7178.1-178.70000111.9H149 K154 W155H149-V151 VanDerWaalsContact CE1-CG2 3.49Å; H149-V151 WeakPolarHBondContact CE1-CG2 3.23Å; H149-V151 WeakPolarHBondContact ND1-CB 3.48Å; H149-V151 PolarHBondContact ND1-N 3.28Å; H149-V151 PolarHBondContact O-N 3.08Å; V151-K154 WeakPolarHBondContact O-CB 3.39Å; V151-K154 PolarHBondContact O-N 3.28Å; V151-W155 HydrophobicContact CG1-CD2 4.19Å; V151-W155 HydrophobicContact CG1-CH2 4.09Å; V151-W155 HydrophobicContact CG1-CZ2 3.28Å; V151-W155 PolarHBondContact O-N 3.34Å
152R93.3Very high89Confident47 Ų4760.3 Ų60.318%0.17731%0.307CS..Hα-helixtrans-71.6-39.8177.7-68.4-172-17990.94.4111.5M108 S110 T142 H149 K154 W155 F156M108-R152 PolarHBondContact O-NE 3.39Å; M108-R152 PolarHBondContact O-NH1 3.34Å; S110-R152 PolarHBondContact O-NE 2.89Å; S110-R152 PolarHBondContact O-NH2 3.48Å; T142-R152 HydrophobicContact CG2-CB 4.03Å; H149-R152 HydrophobicContact CB-CB 4.44Å; H149-R152 HydrophobicContact CB-CG 4.24Å; H149-R152 PolarHBondContact O-N 3.42Å; R152-K154 VanDerWaalsContact C-N 3.26Å; R152-K154 PolarHBondContact O-N 2.88Å; R152-W155 HydrophobicContact CB-CE3 4.38Å; R152-W155 HydrophobicContact CG-CE3 3.93Å; R152-W155 HydrophobicContact CG-CZ3 3.81Å; R152-W155 PolarHBondContact O-N 2.81Å; R152-F156 PolarHBondContact O-N 2.82Å
153L92.6Very high88.8Confident31 Ų3162.5 Ų62.516%0.16232%0.319CS..Hα-helixtrans-56.5-42.7170.3-80.6175.9000112V137 T142 L148 H149 F156 S157 L190V137-L153 HydrophobicContact CG1-CD2 4.37Å; V137-L153 HydrophobicContact CG2-CD2 4.34Å; T142-L153 HydrophobicContact CG2-CD2 4.28Å; L148-L153 HydrophobicContact CD1-CD1 3.73Å; L148-L153 HydrophobicContact CD1-CD2 3.99Å; L148-L153 HydrophobicContact CD1-CG 3.83Å; L148-L153 HydrophobicContact CD2-CD1 3.75Å; L148-L153 HydrophobicContact CG-CD1 3.71Å; L148-L153 HydrophobicContact CG-CG 4.27Å; H149-L153 PolarHBondContact O-N 3.42Å; L153-F156 PolarHBondContact O-N 2.85Å; L153-S157 VanDerWaalsContact O-CB 3.28Å; L153-S157 WeakPolarHBondContact O-CB 3.35Å; L153-S157 PolarHBondContact O-N 3.38Å; L153-L190 HydrophobicContact CD1-CD1 4.27Å; L153-L190 HydrophobicContact CD1-CD2 4.16Å
154K94.2Very high88.9Confident122 Ų12262.8 Ų62.853%0.5332%0.321SS..Hα-helixtrans-62.4-46.9175.9-178.3175.4174.5178.30111.6P150 V151 R152 F156 S157 E158P150-K154 WeakPolarHBondContact O-CB 3.35Å; P150-K154 PolarHBondContact O-N 3.41Å; V151-K154 WeakPolarHBondContact O-CB 3.39Å; V151-K154 PolarHBondContact O-N 3.28Å; R152-K154 VanDerWaalsContact C-N 3.26Å; R152-K154 PolarHBondContact O-N 2.88Å; K154-F156 VanDerWaalsContact C-N 3.34Å; K154-F156 PolarHBondContact O-N 2.88Å; K154-S157 PolarHBondContact O-N 3.05Å; K154-E158 WeakPolarHBondContact CE-OE1 3.35Å; K154-E158 HydrophobicContact CG-CG 4.33Å; K154-E158 IonicContact NZ-OE1 3.73Å; K154-E158 WeakPolarHBondContact O-CB 3.43Å; K154-E158 WeakPolarHBondContact O-CG 3.26Å; K154-E158 PolarHBondContact O-N 2.99Å
155W96.2Very high89.4Confident46 Ų4661.6 Ų61.617%0.17432%0.316CS..Hα-helixtrans-59.3-45.4176.6-57.4-23.6000112K112 F115 V151 R152 S157 E158 T159K112-W155 HydrophobicContact CB-CH2 3.85Å; K112-W155 HydrophobicContact CB-CZ2 3.7Å; K112-W155 HydrophobicContact CB-CZ3 4.32Å; K112-W155 HydrophobicContact CD-CD2 3.68Å; K112-W155 HydrophobicContact CD-CE3 4.23Å; K112-W155 HydrophobicContact CD-CG 3.83Å; K112-W155 HydrophobicContact CD-CZ2 4.18Å; K112-W155 HydrophobicContact CG-CZ2 4.38Å; F115-W155 HydrophobicContact CB-CE3 4.07Å; F115-W155 HydrophobicContact CB-CZ3 4.46Å; F115-W155 HydrophobicContact CD1-CB 3.88Å; F115-W155 HydrophobicContact CD2-CE3 4.41Å; F115-W155 HydrophobicContact CE1-CB 3.71Å; F115-W155 HydrophobicContact CE2-CB 4.41Å; F115-W155 HydrophobicContact CG-CB 4.33Å; F115-W155 HydrophobicContact CG-CE3 4.08Å; F115-W155 HydrophobicContact CZ-CB 4.02Å; V151-W155 HydrophobicContact CG1-CD2 4.19Å; V151-W155 HydrophobicContact CG1-CH2 4.09Å; V151-W155 HydrophobicContact CG1-CZ2 3.28Å; V151-W155 PolarHBondContact O-N 3.34Å; R152-W155 HydrophobicContact CB-CE3 4.38Å; R152-W155 HydrophobicContact CG-CE3 3.93Å; R152-W155 HydrophobicContact CG-CZ3 3.81Å; R152-W155 PolarHBondContact O-N 2.81Å; W155-S157 PolarHBondContact O-N 3.06Å; W155-E158 PolarHBondContact O-N 3.26Å; W155-T159 VanDerWaalsContact O-CB 3.31Å; W155-T159 WeakPolarHBondContact O-CB 3.43Å; W155-T159 PolarHBondContact O-N 3.45Å; W155-T159 PolarHBondContact O-OG1 2.81Å; W155-T159 VanDerWaalsContact O-OG1 3.07Å
156F95.7Very high90.1Very high4 Ų460.9 Ų60.92%0.01831%0.313CS..Hα-helixtrans-59.1-48.3176-167.1-76.3000111.6L103 F115 A135 V137 D141 T142 R152 L153 K154 E158 T159 F160L103-F156 HydrophobicContact CD1-CZ 4.34Å; L103-F156 HydrophobicContact CD2-CE2 4.31Å; L103-F156 HydrophobicContact CD2-CZ 4.32Å; F115-F156 HydrophobicContact CE2-CB 4.38Å; F115-F156 HydrophobicContact CE2-CD2 4.38Å; F115-F156 HydrophobicContact CZ-CB 4.23Å; F115-F156 HydrophobicContact CZ-CD2 4.49Å; A135-F156 WeakPolarHBondContact O-CE1 3.36Å; V137-F156 VanDerWaalsContact CA-CZ 3.48Å; V137-F156 HydrophobicContact CB-CD1 3.68Å; V137-F156 HydrophobicContact CB-CD2 4.27Å; V137-F156 HydrophobicContact CB-CE1 3.57Å; V137-F156 HydrophobicContact CB-CE2 4.16Å; V137-F156 HydrophobicContact CB-CG 4.04Å; V137-F156 HydrophobicContact CB-CZ 3.82Å; V137-F156 HydrophobicContact CG2-CD1 4.06Å; V137-F156 HydrophobicContact CG2-CD2 3.9Å; V137-F156 HydrophobicContact CG2-CE1 4.26Å; V137-F156 HydrophobicContact CG2-CE2 4.09Å; V137-F156 HydrophobicContact CG2-CG 3.88Å; V137-F156 HydrophobicContact CG2-CZ 4.28Å; D141-F156 HydrophobicContact CB-CD2 4.06Å; D141-F156 HydrophobicContact CB-CE2 4Å; T142-F156 HydrophobicContact CG2-CB 4.07Å; T142-F156 HydrophobicContact CG2-CD2 4.44Å; T142-F156 HydrophobicContact CG2-CG 4.5Å; R152-F156 PolarHBondContact O-N 2.82Å; L153-F156 PolarHBondContact O-N 2.85Å; K154-F156 VanDerWaalsContact C-N 3.34Å; K154-F156 PolarHBondContact O-N 2.88Å; F156-E158 PolarHBondContact O-N 3.34Å; F156-T159 PolarHBondContact O-N 3.18Å; F156-F160 HydrophobicContact CD1-CB 4.36Å; F156-F160 AromaticContact CD1-CD2 3.92Å; F156-F160 HydrophobicContact CD1-CD2 3.92Å; F156-F160 AromaticContact CD2-CD2 3.81Å; F156-F160 HydrophobicContact CD2-CD2 3.81Å; F156-F160 AromaticContact CD2-CE2 3.94Å; F156-F160 HydrophobicContact CD2-CE2 3.94Å; F156-F160 HydrophobicContact CE1-CB 4.01Å; F156-F160 AromaticContact CE1-CD2 3.78Å; F156-F160 HydrophobicContact CE1-CD2 3.78Å; F156-F160 HydrophobicContact CE1-CG 4.13Å; F156-F160 AromaticContact CE2-CD2 3.69Å; F156-F160 HydrophobicContact CE2-CD2 3.69Å; F156-F160 AromaticContact CE2-CE2 3.75Å; F156-F160 HydrophobicContact CE2-CE2 3.75Å; F156-F160 AromaticContact CG-CD2 3.92Å; F156-F160 HydrophobicContact CG-CD2 3.92Å; F156-F160 HydrophobicContact CG-CE2 4.47Å; F156-F160 HydrophobicContact CZ-CB 4.5Å; F156-F160 AromaticContact CZ-CD2 3.67Å; F156-F160 HydrophobicContact CZ-CD2 3.67Å; F156-F160 HydrophobicContact CZ-CE2 4.12Å; F156-F160 HydrophobicContact CZ-CG 4.16Å; F156-F160 PolarHBondContact O-N 2.86Å
157S94.8Very high91.1Very high42 Ų4253.1 Ų53.129%0.29429%0.286SS..Hα-helixtrans-60.7-43.3179.3-172.20000112.7L153 K154 W155 G161 M162L153-S157 VanDerWaalsContact O-CB 3.28Å; L153-S157 WeakPolarHBondContact O-CB 3.35Å; L153-S157 PolarHBondContact O-N 3.38Å; K154-S157 PolarHBondContact O-N 3.05Å; W155-S157 PolarHBondContact O-N 3.06Å; S157-G161 CarbonylContact O-C 3.52Å; S157-G161 WeakPolarHBondContact O-CA 3.32Å; S157-G161 PolarHBondContact O-N 3.28Å; S157-M162 WeakPolarHBondContact CA-O 3.43Å; S157-M162 WeakPolarHBondContact CB-O 3.41Å; S157-M162 PolarHBondContact O-N 2.97Å; S157-M162 PolarHBondContact OG-O 2.88Å
158E96Very high91.9Very high123 Ų12349.1 Ų49.158%0.57526%0.262SS*.Hα-helixtrans-69.3-37.3178.2-72.1175.2163.400112.4K154 W155 F156K154-E158 WeakPolarHBondContact CE-OE1 3.35Å; K154-E158 HydrophobicContact CG-CG 4.33Å; K154-E158 IonicContact NZ-OE1 3.73Å; K154-E158 WeakPolarHBondContact O-CB 3.43Å; K154-E158 WeakPolarHBondContact O-CG 3.26Å; K154-E158 PolarHBondContact O-N 2.99Å; W155-E158 PolarHBondContact O-N 3.26Å; F156-E158 PolarHBondContact O-N 3.34Å
159T96.8Very high92.4Very high47 Ų4751 Ų5129%0.28828%0.276SS..Hα-helixtrans-78.5-39.7-177.7-65.90000113.3F115 A119 M123 W155 F156F115-T159 HydrophobicContact CE1-CG2 4.4Å; A119-T159 HydrophobicContact CB-CG2 3.69Å; M123-T159 HydrophobicContact CE-CG2 4.26Å; W155-T159 VanDerWaalsContact O-CB 3.31Å; W155-T159 WeakPolarHBondContact O-CB 3.43Å; W155-T159 PolarHBondContact O-N 3.45Å; W155-T159 PolarHBondContact O-OG1 2.81Å; W155-T159 VanDerWaalsContact O-OG1 3.07Å; F156-T159 PolarHBondContact O-N 3.18Å
160F95.7Very high92.7Very high32 Ų3248.5 Ų48.514%0.1427%0.265CS..Hα-helixtrans-103.3-3.4-177.1-65.1-76.5000113.5L103 F104 F115 A119 F122 A135 F156 M162L103-F160 HydrophobicContact CD2-CD1 4.29Å; L103-F160 HydrophobicContact CD2-CE1 3.63Å; L103-F160 HydrophobicContact CD2-CE2 4.06Å; L103-F160 HydrophobicContact CD2-CZ 3.49Å; L103-F160 VanDerWaalsContact CD2-CZ 3.49Å; F104-F160 HydrophobicContact CE2-CE2 4.41Å; F104-F160 HydrophobicContact CZ-CE2 4.02Å; F104-F160 AromaticContact CZ-CZ 3.93Å; F104-F160 HydrophobicContact CZ-CZ 3.93Å; F115-F160 HydrophobicContact CZ-CE2 4.4Å; A119-F160 HydrophobicContact CB-CE2 4.48Å; A119-F160 HydrophobicContact CB-CZ 4.22Å; F122-F160 AromaticContact CD1-CE1 3.79Å; F122-F160 HydrophobicContact CD1-CE1 3.79Å; F122-F160 HydrophobicContact CD1-CZ 4.27Å; F122-F160 HydrophobicContact CE1-CE1 4.02Å; A135-F160 HydrophobicContact CB-CD1 3.98Å; A135-F160 HydrophobicContact CB-CE1 4.46Å; A135-F160 HydrophobicContact CB-CG 4.42Å; F156-F160 HydrophobicContact CD1-CB 4.36Å; F156-F160 AromaticContact CD1-CD2 3.92Å; F156-F160 HydrophobicContact CD1-CD2 3.92Å; F156-F160 AromaticContact CD2-CD2 3.81Å; F156-F160 HydrophobicContact CD2-CD2 3.81Å; F156-F160 AromaticContact CD2-CE2 3.94Å; F156-F160 HydrophobicContact CD2-CE2 3.94Å; F156-F160 HydrophobicContact CE1-CB 4.01Å; F156-F160 AromaticContact CE1-CD2 3.78Å; F156-F160 HydrophobicContact CE1-CD2 3.78Å; F156-F160 HydrophobicContact CE1-CG 4.13Å; F156-F160 AromaticContact CE2-CD2 3.69Å; F156-F160 HydrophobicContact CE2-CD2 3.69Å; F156-F160 AromaticContact CE2-CE2 3.75Å; F156-F160 HydrophobicContact CE2-CE2 3.75Å; F156-F160 AromaticContact CG-CD2 3.92Å; F156-F160 HydrophobicContact CG-CD2 3.92Å; F156-F160 HydrophobicContact CG-CE2 4.47Å; F156-F160 HydrophobicContact CZ-CB 4.5Å; F156-F160 AromaticContact CZ-CD2 3.67Å; F156-F160 HydrophobicContact CZ-CD2 3.67Å; F156-F160 HydrophobicContact CZ-CE2 4.12Å; F156-F160 HydrophobicContact CZ-CG 4.16Å; F156-F160 PolarHBondContact O-N 2.86Å; F160-M162 HydrophobicContact CB-CG 4.44Å; F160-M162 PolarHBondContact O-N 3.41Å
161G93.6Very high92.7Very high50 Ų5049.5 Ų49.552%0.51526%0.259SS..  trans69.715.1179.900000114.4S157S157-G161 CarbonylContact O-C 3.52Å; S157-G161 WeakPolarHBondContact O-CA 3.32Å; S157-G161 PolarHBondContact O-N 3.28Å
162M89.9Confident92.3Very high15 Ų1549 Ų497%0.07427%0.266CS..  trans-102.1137.9-172.8-68-64.294.800112.8F134 A135 S157 F160 H166 L177F134-M162 HydrophobicContact CB-SD 4.44Å; F134-M162 HydrophobicContact CD1-CE 3.75Å; F134-M162 HydrophobicContact CD1-SD 4.39Å; F134-M162 HydrophobicContact CE1-CE 4.43Å; A135-M162 WeakPolarHBondContact O-CG 3.38Å; S157-M162 WeakPolarHBondContact CA-O 3.43Å; S157-M162 WeakPolarHBondContact CB-O 3.41Å; S157-M162 PolarHBondContact O-N 2.97Å; S157-M162 PolarHBondContact OG-O 2.88Å; F160-M162 HydrophobicContact CB-CG 4.44Å; F160-M162 PolarHBondContact O-N 3.41Å; M162-H166 HydrophobicContact SD-CB 4.26Å; M162-L177 HydrophobicContact SD-CD2 3.93Å
163D89Confident91.9Very high47 Ų4748.1 Ų48.125%0.25127%0.265SS..  trans-102.1173.2176.4-159.3-14.7000109.7V165 Y193 K197D163-V165 PolarHBondContact O-N 3.46Å; D163-V165 VanDerWaalsContact O-N 3.17Å; D163-Y193 VanDerWaalsContact OD1-CE1 3.23Å; D163-Y193 WeakPolarHBondContact OD1-CE1 3.39Å; D163-Y193 PolarHBondContact OD2-OH 2.95Å; D163-K197 WeakPolarHBondContact OD2-CE 3.23Å; D163-K197 IonicContact OD2-NZ 3.13Å; D163-K197 PolarHBondContact OD2-NZ 2.9Å
164S89.2Confident91.7Very high7 Ų746.9 Ų46.95%0.04926%0.259CS..SBendtrans-49.5-38.1172.554.60000113N179 Y193S164-N179 WeakPolarHBondContact O-CB 3.2Å; S164-N179 PolarHBondContact O-N 2.87Å; S164-Y193 VanDerWaalsContact OG-CD1 3.23Å; S164-Y193 WeakPolarHBondContact OG-CD1 3.34Å; S164-Y193 VanDerWaalsContact OG-CE1 3.29Å; S164-Y193 WeakPolarHBondContact OG-CE1 3.46Å
165V92Very high91.6Very high5 Ų541.7 Ų41.73%0.0324%0.236CC..EExtended strand (participates in β ladder)trans-141.3119.3172.71770000107D163 V176 L177 V178 M183 A194 K197 L198 V201D163-V165 PolarHBondContact O-N 3.46Å; D163-V165 VanDerWaalsContact O-N 3.17Å; V165-V176 HydrophobicContact CG1-CG1 3.88Å; V165-L177 CarbonylContact C-O 3.59Å; V165-L177 WeakPolarHBondContact CA-O 3.3Å; V165-V178 HydrophobicContact CG2-CG1 4.42Å; V165-M183 HydrophobicContact CG2-CE 4.25Å; V165-A194 HydrophobicContact CG2-CB 3.94Å; V165-K197 HydrophobicContact CB-CB 3.67Å; V165-K197 HydrophobicContact CB-CG 4.5Å; V165-K197 HydrophobicContact CG1-CB 4.21Å; V165-K197 HydrophobicContact CG2-CB 4.09Å; V165-L198 HydrophobicContact CG1-CD2 3.83Å; V165-L198 HydrophobicContact CG1-CG 4.3Å; V165-L198 HydrophobicContact CG2-CD2 4.17Å; V165-L198 HydrophobicContact CG2-CG 3.98Å; V165-V201 HydrophobicContact CG1-CG2 4.12Å
166H92.7Very high91.4Very high45 Ų4539.8 Ų39.821%0.20823%0.23CC..EExtended strand (participates in β ladder)trans-122.5122.4-176.5-173.790.1000110.3M162 V176 L177M162-H166 HydrophobicContact SD-CB 4.26Å; H166-V176 CarbonylContact O-C 3.57Å; H166-V176 WeakPolarHBondContact O-CA 3.25Å; H166-L177 HydrophobicContact CB-CB 4.29Å; H166-L177 PolarHBondContact N-O 2.87Å; H166-L177 PolarHBondContact O-N 3.05Å
167L92.2Very high91.3Very high47 Ų4739.7 Ų39.725%0.24623%0.229CC..EExtended strand (participates in β ladder)trans-96.3111.1173.6173.166.6000109V169 P174 F175 V176 V201 T204 L205L167-V169 HydrophobicContact CD1-CG2 4.45Å; L167-V169 HydrophobicContact CG-CG2 4.4Å; L167-P174 HydrophobicContact CD1-CB 3.88Å; L167-F175 CarbonylContact C-O 3.55Å; L167-F175 WeakPolarHBondContact CA-O 3.32Å; L167-V176 HydrophobicContact CD1-CG2 3.96Å; L167-V201 HydrophobicContact CB-CG1 4.5Å; L167-V201 HydrophobicContact CB-CG2 3.95Å; L167-V201 HydrophobicContact CD1-CG1 4.35Å; L167-V201 HydrophobicContact CD2-CG1 4.4Å; L167-T204 HydrophobicContact CD2-CG2 4.04Å; L167-L205 HydrophobicContact CD1-CD2 4.41Å
168Q92.6Very high91.1Very high46 Ų4637.9 Ų37.922%0.21522%0.216CC..EExtended strand (participates in β ladder)trans-107.4131.4172.8-179.756.959.200109.2F134 L170 F175 L177F134-Q168 HydrophobicContact CE1-CG 3.98Å; F134-Q168 HydrophobicContact CE2-CG 3.99Å; F134-Q168 HydrophobicContact CZ-CG 3.66Å; Q168-L170 HydrophobicContact CG-CD1 4.31Å; Q168-L170 HydrophobicContact CG-CD2 4.1Å; Q168-L170 HydrophobicContact CG-CG 3.97Å; Q168-F175 HydrophobicContact CB-CB 4.41Å; Q168-F175 PolarHBondContact N-O 2.93Å; Q168-F175 WeakPolarHBondContact O-CA 3.34Å; Q168-F175 WeakPolarHBondContact O-CB 3.44Å; Q168-F175 PolarHBondContact O-N 3.06Å; Q168-L177 HydrophobicContact CB-CD1 3.99Å
169V90.4Very high90.8Very high72 Ų7232.1 Ų32.144%0.43619%0.19SC..EExtended strand (participates in β ladder)trans-111.7124.7175.6-177.90000109.1L167 L173L167-V169 HydrophobicContact CD1-CG2 4.45Å; L167-V169 HydrophobicContact CG-CG2 4.4Å; V169-L173 WeakPolarHBondContact CA-O 3.44Å
170L90.8Very high90.3Very high31 Ų3130 Ų3016%0.16218%0.177CC..EExtended strand (participates in β ladder)trans-128.8123.7-178.7-60.7172.1000109L53 V96 F98 F134 Q168 G172 L173 F175L53-L170 HydrophobicContact CD1-CB 4.41Å; L53-L170 HydrophobicContact CD2-CB 3.59Å; L53-L170 HydrophobicContact CD2-CD1 4.04Å; L53-L170 HydrophobicContact CD2-CG 4.48Å; V96-L170 HydrophobicContact CB-CD1 3.89Å; V96-L170 HydrophobicContact CG1-CD1 3.81Å; V96-L170 HydrophobicContact CG2-CD1 3.71Å; F98-L170 HydrophobicContact CZ-CD1 3.83Å; F134-L170 HydrophobicContact CE2-CD1 4.35Å; Q168-L170 HydrophobicContact CG-CD1 4.31Å; Q168-L170 HydrophobicContact CG-CD2 4.1Å; Q168-L170 HydrophobicContact CG-CG 3.97Å; L170-G172 PolarHBondContact O-N 3.37Å; L170-G172 VanDerWaalsContact O-N 3.08Å; L170-L173 PolarHBondContact N-O 2.98Å; L170-L173 WeakPolarHBondContact O-CA 3.38Å; L170-L173 VanDerWaalsContact O-CB 3.29Å; L170-L173 WeakPolarHBondContact O-CB 3.31Å; L170-L173 PolarHBondContact O-N 2.88Å; L170-F175 HydrophobicContact CB-CD2 4.31Å; L170-F175 HydrophobicContact CB-CE2 4.04Å; L170-F175 HydrophobicContact CD1-CD2 4.12Å; L170-F175 HydrophobicContact CD1-CE2 4.15Å; L170-F175 HydrophobicContact CG-CD2 4.3Å; L170-F175 HydrophobicContact CG-CE2 4.42Å
171K87.5Confident89.8Confident118 Ų11828.8 Ų28.851%0.51317%0.172SC..THydrogen-bonded Turntrans48.834.3-172.8-66.5-174.6172.2174.50113.6K52 L53 E95 L173K52-K171 WeakPolarHBondContact O-CD 3.12Å; K52-K171 PolarHBondContact O-NZ 3.49Å; L53-K171 HydrophobicContact CB-CD 4.45Å; L53-K171 HydrophobicContact CD1-CD 4.02Å; L53-K171 HydrophobicContact CD1-CG 4.3Å; E95-K171 WeakPolarHBondContact OE1-CE 3.3Å; E95-K171 IonicContact OE1-NZ 2.63Å; E95-K171 PolarHBondContact OE1-NZ 3.35Å; E95-K171 IonicContact OE2-NZ 2.78Å; E95-K171 PolarHBondContact OE2-NZ 3.29Å; K171-L173 PolarHBondContact O-N 3.2Å
172G82.9Confident89.4Confident51 Ų5126.5 Ų26.553%0.52615%0.148SC..THydrogen-bonded Turntrans77.9-2.5-176.600000115.3L170 P174L170-G172 PolarHBondContact O-N 3.37Å; L170-G172 VanDerWaalsContact O-N 3.08Å; G172-P174 WeakPolarHBondContact O-CD 3.21Å
173L85.3Confident89.3Confident29 Ų2928.4 Ų28.415%0.15216%0.158CC..EExtended strand (participates in β ladder)trans-86121.2174.2-60173.9000110.1L53 V169 L170 K171 F175 W216L53-L173 HydrophobicContact CB-CD1 3.89Å; L53-L173 HydrophobicContact CD2-CD1 4.29Å; V169-L173 WeakPolarHBondContact CA-O 3.44Å; L170-L173 PolarHBondContact N-O 2.98Å; L170-L173 WeakPolarHBondContact O-CA 3.38Å; L170-L173 VanDerWaalsContact O-CB 3.29Å; L170-L173 WeakPolarHBondContact O-CB 3.31Å; L170-L173 PolarHBondContact O-N 2.88Å; K171-L173 PolarHBondContact O-N 3.2Å; L173-F175 HydrophobicContact CB-CE2 3.76Å; L173-F175 HydrophobicContact CB-CZ 4.36Å; L173-F175 VanDerWaalsContact O-CD2 3.31Å; L173-F175 WeakPolarHBondContact O-CD2 3.26Å; L173-W216 HydrophobicContact CD2-CZ3 4.36Å
174P87.5Confident88.9Confident6 Ų629.3 Ų29.34%0.03916%0.16CC..EExtended strand (participates in β ladder)trans-76.7130.1173.20.311.3000113.1L167 G172 L205 W216 V239L167-P174 HydrophobicContact CD1-CB 3.88Å; G172-P174 WeakPolarHBondContact O-CD 3.21Å; P174-L205 HydrophobicContact CB-CD2 3.64Å; P174-L205 HydrophobicContact CG-CD2 3.66Å; P174-W216 HydrophobicContact CG-CH2 4.3Å; P174-W216 HydrophobicContact CG-CZ3 4.45Å; P174-V239 HydrophobicContact CB-CB 4.11Å; P174-V239 HydrophobicContact CB-CG2 4.39Å; P174-V239 VanDerWaalsContact CD-O 3.31Å; P174-V239 WeakPolarHBondContact CD-O 3.38Å; P174-V239 HydrophobicContact CG-CB 3.88Å; P174-V239 HydrophobicContact CG-CG1 4.2Å; P174-V239 PolarHBondContact O-N 3.19Å
175F92.1Very high88.4Confident12 Ų1234.5 Ų34.55%0.05319%0.187CC..EExtended strand (participates in β ladder)trans-116121.8170.2-65.8-94.2000108.3L53 F98 L167 Q168 L170 L173 L177 L236 T238L53-F175 HydrophobicContact CD2-CE2 3.5Å; L53-F175 VanDerWaalsContact CD2-CE2 3.5Å; L53-F175 HydrophobicContact CD2-CZ 3.54Å; F98-F175 HydrophobicContact CE1-CB 4.24Å; F98-F175 HydrophobicContact CE1-CD1 4.17Å; F98-F175 HydrophobicContact CE1-CG 4.23Å; F98-F175 AromaticContact CE2-CD1 3.63Å; F98-F175 HydrophobicContact CE2-CD1 3.63Å; F98-F175 AromaticContact CE2-CE1 3.65Å; F98-F175 HydrophobicContact CE2-CE1 3.65Å; F98-F175 HydrophobicContact CE2-CG 4.26Å; F98-F175 HydrophobicContact CE2-CZ 4.29Å; F98-F175 HydrophobicContact CZ-CB 4.08Å; F98-F175 AromaticContact CZ-CD1 3.39Å; F98-F175 HydrophobicContact CZ-CD1 3.39Å; F98-F175 HydrophobicContact CZ-CD2 4.11Å; F98-F175 AromaticContact CZ-CE1 3.84Å; F98-F175 HydrophobicContact CZ-CE1 3.84Å; F98-F175 HydrophobicContact CZ-CE2 4.49Å; F98-F175 AromaticContact CZ-CG 3.58Å; F98-F175 HydrophobicContact CZ-CG 3.58Å; F98-F175 HydrophobicContact CZ-CZ 4.39Å; L167-F175 CarbonylContact C-O 3.55Å; L167-F175 WeakPolarHBondContact CA-O 3.32Å; Q168-F175 HydrophobicContact CB-CB 4.41Å; Q168-F175 PolarHBondContact N-O 2.93Å; Q168-F175 WeakPolarHBondContact O-CA 3.34Å; Q168-F175 WeakPolarHBondContact O-CB 3.44Å; Q168-F175 PolarHBondContact O-N 3.06Å; L170-F175 HydrophobicContact CB-CD2 4.31Å; L170-F175 HydrophobicContact CB-CE2 4.04Å; L170-F175 HydrophobicContact CD1-CD2 4.12Å; L170-F175 HydrophobicContact CD1-CE2 4.15Å; L170-F175 HydrophobicContact CG-CD2 4.3Å; L170-F175 HydrophobicContact CG-CE2 4.42Å; L173-F175 HydrophobicContact CB-CE2 3.76Å; L173-F175 HydrophobicContact CB-CZ 4.36Å; L173-F175 VanDerWaalsContact O-CD2 3.31Å; L173-F175 WeakPolarHBondContact O-CD2 3.26Å; F175-L177 HydrophobicContact CB-CD1 4.18Å; F175-L236 HydrophobicContact CB-CD1 4.17Å; F175-L236 HydrophobicContact CD1-CD1 4.07Å; F175-L236 HydrophobicContact CD1-CD2 4.39Å; F175-T238 HydrophobicContact CD1-CG2 3.53Å; F175-T238 HydrophobicContact CE1-CG2 3.45Å; F175-T238 VanDerWaalsContact CE1-CG2 3.45Å
176V92Very high88Confident6 Ų638 Ų384%0.03621%0.206CC..EExtended strand (participates in β ladder)trans-107108.3174.7-169.60000107.8V165 H166 L167 V178 V201 I237V165-V176 HydrophobicContact CG1-CG1 3.88Å; H166-V176 CarbonylContact O-C 3.57Å; H166-V176 WeakPolarHBondContact O-CA 3.25Å; L167-V176 HydrophobicContact CD1-CG2 3.96Å; V176-V178 HydrophobicContact CG1-CG2 3.85Å; V176-V201 HydrophobicContact CG1-CG1 4.27Å; V176-V201 HydrophobicContact CG2-CG1 3.78Å; V176-I237 HydrophobicContact CB-CB 4.22Å; V176-I237 PolarHBondContact N-O 2.65Å; V176-I237 PolarHBondContact O-N 3.22Å
177L93.3Very high87.4Confident3 Ų337.9 Ų37.92%0.01622%0.217CC..EExtended strand (participates in β ladder)trans-91.9124.9176.7-62.987.1000108F98 F134 V136 M162 V165 H166 Q168 F175 L236F98-L177 HydrophobicContact CD1-CD2 3.93Å; F98-L177 HydrophobicContact CD1-CG 4.47Å; F98-L177 HydrophobicContact CE1-CD1 4.24Å; F98-L177 HydrophobicContact CE1-CD2 4.26Å; F134-L177 HydrophobicContact CB-CD2 3.68Å; V136-L177 HydrophobicContact CG2-CB 3.75Å; V136-L177 HydrophobicContact CG2-CD2 3.61Å; V136-L177 HydrophobicContact CG2-CG 4.1Å; M162-L177 HydrophobicContact SD-CD2 3.93Å; V165-L177 CarbonylContact C-O 3.59Å; V165-L177 WeakPolarHBondContact CA-O 3.3Å; H166-L177 HydrophobicContact CB-CB 4.29Å; H166-L177 PolarHBondContact N-O 2.87Å; H166-L177 PolarHBondContact O-N 3.05Å; Q168-L177 HydrophobicContact CB-CD1 3.99Å; F175-L177 HydrophobicContact CB-CD1 4.18Å; L177-L236 HydrophobicContact CD1-CD1 4.23Å; L177-L236 HydrophobicContact CG-CD1 3.8Å
178V91Very high87.1Confident3 Ų337.4 Ų37.42%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-126.6123.8-171.3-178.20000109.7V136 V165 V176 S180 M183 I235 I237V136-V178 WeakPolarHBondContact CG1-O 3.27Å; V165-V178 HydrophobicContact CG2-CG1 4.42Å; V176-V178 HydrophobicContact CG1-CG2 3.85Å; V178-S180 PolarHBondContact O-N 3.13Å; V178-S180 VanDerWaalsContact O-N 3.12Å; V178-M183 HydrophobicContact CG1-CE 3.5Å; V178-M183 VanDerWaalsContact CG1-CE 3.5Å; V178-M183 HydrophobicContact CG1-CG 3.84Å; V178-M183 HydrophobicContact CG1-SD 3.76Å; V178-I235 HydrophobicContact CB-CB 4.27Å; V178-I235 PolarHBondContact N-O 3.39Å; V178-I235 PolarHBondContact O-N 3.32Å; V178-I235 VanDerWaalsContact O-N 3.13Å; V178-I237 HydrophobicContact CG2-CD1 4.31Å
179N89.5Confident86.8Confident2 Ų241.4 Ų41.41%0.01124%0.244CC..  trans-66106.2162.2178.1-2.9000108.1V137 S164 M181 A182V137-N179 HydrophobicContact CG1-CB 3.75Å; V137-N179 VanDerWaalsContact CG1-ND2 3.34Å; V137-N179 WeakPolarHBondContact CG1-ND2 3.46Å; S164-N179 WeakPolarHBondContact O-CB 3.2Å; S164-N179 PolarHBondContact O-N 2.87Å; N179-M181 PolarHBondContact O-N 3.37Å; N179-M181 VanDerWaalsContact OD1-CB 3.26Å; N179-M181 WeakPolarHBondContact OD1-CB 3.39Å; N179-M181 WeakPolarHBondContact OD1-CE 3.49Å; N179-M181 WeakPolarHBondContact OD1-CG 3.34Å; N179-M181 PolarHBondContact OD1-N 3.24Å; N179-A182 VanDerWaalsContact O-CB 3.31Å; N179-A182 WeakPolarHBondContact O-CB 3.28Å; N179-A182 PolarHBondContact O-N 3Å
180S86.1Confident86.7Confident3 Ų339.3 Ų39.32%0.02123%0.231CC..G310 helixtrans-61.5-29.2-17959.50000113.2V178 A182 M183 C231 Q233V178-S180 PolarHBondContact O-N 3.13Å; V178-S180 VanDerWaalsContact O-N 3.12Å; S180-A182 PolarHBondContact O-N 2.79Å; S180-A182 VanDerWaalsContact O-N 3.1Å; S180-M183 WeakPolarHBondContact O-CA 3.17Å; S180-M183 VanDerWaalsContact O-CB 3.26Å; S180-M183 WeakPolarHBondContact O-CB 3.47Å; S180-M183 PolarHBondContact O-N 3.41Å; S180-C231 CarbonylContact C-O 3.04Å; S180-C231 WeakPolarHBondContact CB-O 3.45Å; S180-C231 PolarHBondContact OG-O 3.1Å; S180-Q233 WeakPolarHBondContact CB-O 3.49Å; S180-Q233 PolarHBondContact OG-N 3.05Å; S180-Q233 VanDerWaalsContact OG-N 3.12Å; S180-Q233 PolarHBondContact OG-O 3.38Å
181M85.8Confident86.6Confident6 Ų637.9 Ų37.93%0.0322%0.223CC..G310 helixtrans-66-15.5178.8-49.9-179.5-83.900111.9V137 G138 N139 F144 L148 N179 M183 C231V137-M181 HydrophobicContact CB-CE 4.49Å; V137-M181 HydrophobicContact CG1-CE 3.94Å; V137-M181 HydrophobicContact CG2-CE 3.98Å; G138-M181 VanDerWaalsContact O-CE 3.27Å; G138-M181 WeakPolarHBondContact O-CE 3.5Å; N139-M181 VanDerWaalsContact CA-SD 3.51Å; N139-M181 HydrophobicContact CB-SD 3.84Å; F144-M181 HydrophobicContact CD2-CB 4.01Å; F144-M181 HydrophobicContact CD2-CG 3.74Å; F144-M181 HydrophobicContact CD2-SD 4.19Å; F144-M181 HydrophobicContact CE2-CB 4.2Å; F144-M181 HydrophobicContact CE2-CG 4.19Å; L148-M181 HydrophobicContact CD1-CE 4.24Å; L148-M181 HydrophobicContact CD1-SD 4.21Å; N179-M181 PolarHBondContact O-N 3.37Å; N179-M181 VanDerWaalsContact OD1-CB 3.26Å; N179-M181 WeakPolarHBondContact OD1-CB 3.39Å; N179-M181 WeakPolarHBondContact OD1-CE 3.49Å; N179-M181 WeakPolarHBondContact OD1-CG 3.34Å; N179-M181 PolarHBondContact OD1-N 3.24Å; M181-M183 VanDerWaalsContact C-N 3.34Å; M181-C231 PolarHBondContact N-O 3.28Å
182A86.4Confident86.7Confident3 Ų336.4 Ų36.43%0.02522%0.221CC..G310 helixtrans-85.6-4.9171.700000113.5N179 S180 L190 C191 A194N179-A182 VanDerWaalsContact O-CB 3.31Å; N179-A182 WeakPolarHBondContact O-CB 3.28Å; N179-A182 PolarHBondContact O-N 3Å; S180-A182 PolarHBondContact O-N 2.79Å; S180-A182 VanDerWaalsContact O-N 3.1Å; A182-L190 HydrophobicContact CB-CD1 4.3Å; A182-L190 HydrophobicContact CB-CD2 3.85Å; A182-L190 HydrophobicContact CB-CG 3.67Å; A182-C191 WeakPolarHBondContact O-CA 3.39Å; A182-A194 HydrophobicContact CB-CB 3.46Å; A182-A194 VanDerWaalsContact CB-CB 3.46Å
183M86.2Confident87.1Confident55 Ų5538.6 Ų38.627%0.27121%0.214SC..  trans-96.85.5-176.2-56.2-64.9113.200113.5V165 V178 S180 M181 N185 A194 L198V165-M183 HydrophobicContact CG2-CE 4.25Å; V178-M183 HydrophobicContact CG1-CE 3.5Å; V178-M183 VanDerWaalsContact CG1-CE 3.5Å; V178-M183 HydrophobicContact CG1-CG 3.84Å; V178-M183 HydrophobicContact CG1-SD 3.76Å; S180-M183 WeakPolarHBondContact O-CA 3.17Å; S180-M183 VanDerWaalsContact O-CB 3.26Å; S180-M183 WeakPolarHBondContact O-CB 3.47Å; S180-M183 PolarHBondContact O-N 3.41Å; M181-M183 VanDerWaalsContact C-N 3.34Å; M183-N185 PolarHBondContact O-N 3.06Å; M183-A194 HydrophobicContact CE-CB 3.59Å; M183-L198 HydrophobicContact CE-CD1 3.92Å; M183-L198 HydrophobicContact SD-CD1 3.84Å
184E80.5Confident87.3Confident65 Ų6537.2 Ų37.230%0.30421%0.207SC..SBendtrans-59.9-26.8175.7-165.863.9-156.800112.2D186E184-D186 HydrophobicContact CG-CB 4.26Å; E184-D186 PolarHBondContact O-N 3.04Å
185N78.6Confident87.5Confident116 Ų11639.9 Ų39.962%0.6222%0.22SC*.  trans55.633.2175.7-168.446.1000114M183 G187M183-N185 PolarHBondContact O-N 3.06Å; N185-G187 VanDerWaalsContact C-N 3.33Å
186D83.8Confident87.5Confident80 Ų8045.9 Ų45.943%0.42824%0.243SC..SBendtrans-88.73.2176.469-18.5000113.3H145 E184 C188 C191H145-D186 IonicContact CE1-OD2 2.65Å; H145-D186 PolarHBondContact CE1-OD2 3.26Å; H145-D186 IonicContact ND1-OD2 2.64Å; E184-D186 HydrophobicContact CG-CB 4.26Å; E184-D186 PolarHBondContact O-N 3.04Å; D186-C188 WeakPolarHBondContact OD1-CB 3.34Å; D186-C188 PolarHBondContact OD1-N 3.12Å; D186-C191 PolarHBondContact OD1-SG 3.3Å
187G81.9Confident87.5Confident42 Ų4248 Ų4843%0.43325%0.253SS..  trans81.512.8-175.900000114.6N185 N192N185-G187 VanDerWaalsContact C-N 3.33Å; G187-N192 PolarHBondContact O-ND2 2.96Å
188C85.5Confident87.4Confident37 Ų3750.6 Ų50.625%0.2527%0.266CS..  trans-59.1155.717489.50000112.3D186 L190 C191 N192D186-C188 WeakPolarHBondContact OD1-CB 3.34Å; D186-C188 PolarHBondContact OD1-N 3.12Å; C188-L190 VanDerWaalsContact C-N 3.31Å; C188-L190 PolarHBondContact O-N 3.44Å; C188-C191 HydrophobicContact CB-CB 4.1Å; C188-C191 WeakPolarHBondContact CB-SG 3.46Å; C188-C191 WeakPolarHBondContact O-CA 3.4Å; C188-C191 WeakPolarHBondContact O-CB 3.45Å; C188-C191 PolarHBondContact O-N 2.98Å; C188-C191 WeakPolarHBondContact SG-CB 3.41Å; C188-C191 PolarHBondContact SG-N 3.48Å; C188-C191 CovalentContact SG-SG 2.07Å; C188-C191 PolarHBondContact SG-SG 3.15Å; C188-N192 PolarHBondContact O-N 3.09Å; C188-N192 PolarHBondContact O-ND2 2.97Å
189T86.8Confident87.4Confident129 Ų12954.5 Ų54.579%0.79129%0.286SS*.Hα-helixtrans-56.9-42.9-179.6-56.30000112.4C191 Y193T189-C191 VanDerWaalsContact C-N 3.32Å; T189-C191 PolarHBondContact O-N 2.82Å; T189-Y193 WeakPolarHBondContact O-CB 3.13Å; T189-Y193 PolarHBondContact O-N 3.47Å; T189-Y193 VanDerWaalsContact O-N 3.16Å
190L87.3Confident87.5Confident28 Ų2856.7 Ų56.715%0.14730%0.298CS..Hα-helixtrans-62.4-41.3175.2176.168.9000111.3L148 L153 A182 C188 Y193 A194L148-L190 HydrophobicContact CD2-CB 4.39Å; L148-L190 HydrophobicContact CD2-CD2 3.38Å; L148-L190 HydrophobicContact CD2-CG 4.46Å; L153-L190 HydrophobicContact CD1-CD1 4.27Å; L153-L190 HydrophobicContact CD1-CD2 4.16Å; A182-L190 HydrophobicContact CB-CD1 4.3Å; A182-L190 HydrophobicContact CB-CD2 3.85Å; A182-L190 HydrophobicContact CB-CG 3.67Å; C188-L190 VanDerWaalsContact C-N 3.31Å; C188-L190 PolarHBondContact O-N 3.44Å; L190-Y193 PolarHBondContact O-N 3.42Å; L190-A194 WeakPolarHBondContact O-CB 3.37Å; L190-A194 PolarHBondContact O-N 3.39Å
191C87.8Confident87.7Confident1 Ų157.4 Ų57.41%0.00730%0.302CS..Hα-helixtrans-67.1-48.3-175.8-50.80000111.1A182 D186 C188 T189 Y193 A194 I195A182-C191 WeakPolarHBondContact O-CA 3.39Å; D186-C191 PolarHBondContact OD1-SG 3.3Å; C188-C191 HydrophobicContact CB-CB 4.1Å; C188-C191 WeakPolarHBondContact CB-SG 3.46Å; C188-C191 WeakPolarHBondContact O-CA 3.4Å; C188-C191 WeakPolarHBondContact O-CB 3.45Å; C188-C191 PolarHBondContact O-N 2.98Å; C188-C191 WeakPolarHBondContact SG-CB 3.41Å; C188-C191 PolarHBondContact SG-N 3.48Å; C188-C191 CovalentContact SG-SG 2.07Å; C188-C191 PolarHBondContact SG-SG 3.15Å; T189-C191 VanDerWaalsContact C-N 3.32Å; T189-C191 PolarHBondContact O-N 2.82Å; C191-Y193 VanDerWaalsContact C-N 3.29Å; C191-Y193 PolarHBondContact O-N 2.8Å; C191-A194 PolarHBondContact O-N 3.45Å; C191-A194 VanDerWaalsContact O-N 3.16Å; C191-I195 WeakPolarHBondContact O-CG1 3.46Å; C191-I195 PolarHBondContact O-N 3.33Å
192N90.7Very high87.8Confident88 Ų8860.5 Ų60.547%0.47132%0.319SS..Hα-helixtrans-60.8-39.7175.3-71.7-32.4000111.9G187 C188 I195 Y196G187-N192 PolarHBondContact O-ND2 2.96Å; C188-N192 PolarHBondContact O-N 3.09Å; C188-N192 PolarHBondContact O-ND2 2.97Å; N192-I195 PolarHBondContact O-N 3.45Å; N192-Y196 PolarHBondContact O-N 3.06Å
193Y90.9Very high87.9Confident96 Ų9667.8 Ų67.838%0.37635%0.345SS..Hα-helixtrans-65.8-40.3175.9-179.9-112.9000112D163 S164 T189 L190 C191 Y196 K197D163-Y193 VanDerWaalsContact OD1-CE1 3.23Å; D163-Y193 WeakPolarHBondContact OD1-CE1 3.39Å; D163-Y193 PolarHBondContact OD2-OH 2.95Å; S164-Y193 VanDerWaalsContact OG-CD1 3.23Å; S164-Y193 WeakPolarHBondContact OG-CD1 3.34Å; S164-Y193 VanDerWaalsContact OG-CE1 3.29Å; S164-Y193 WeakPolarHBondContact OG-CE1 3.46Å; T189-Y193 WeakPolarHBondContact O-CB 3.13Å; T189-Y193 PolarHBondContact O-N 3.47Å; T189-Y193 VanDerWaalsContact O-N 3.16Å; L190-Y193 PolarHBondContact O-N 3.42Å; C191-Y193 VanDerWaalsContact C-N 3.29Å; C191-Y193 PolarHBondContact O-N 2.8Å; Y193-Y196 WeakPolarHBondContact O-CB 3.34Å; Y193-Y196 PolarHBondContact O-N 3.46Å; Y193-K197 HydrophobicContact CE1-CG 4.37Å; Y193-K197 WeakPolarHBondContact O-CG 3.23Å; Y193-K197 PolarHBondContact O-N 3.34Å; Y193-K197 WeakPolarHBondContact OH-CE 3.13Å; Y193-K197 PolarHBondContact OH-NZ 2.81Å
194A90.5Very high87.9Confident0 Ų068.4 Ų68.40%035%0.353CS..Hα-helixtrans-66.3-39.417500000112.6V165 A182 M183 L190 C191 Y196 K197 L198V165-A194 HydrophobicContact CG2-CB 3.94Å; A182-A194 HydrophobicContact CB-CB 3.46Å; A182-A194 VanDerWaalsContact CB-CB 3.46Å; M183-A194 HydrophobicContact CE-CB 3.59Å; L190-A194 WeakPolarHBondContact O-CB 3.37Å; L190-A194 PolarHBondContact O-N 3.39Å; C191-A194 PolarHBondContact O-N 3.45Å; C191-A194 VanDerWaalsContact O-N 3.16Å; A194-Y196 VanDerWaalsContact C-N 3.35Å; A194-Y196 PolarHBondContact O-N 3.33Å; A194-K197 PolarHBondContact O-N 3.43Å; A194-L198 WeakPolarHBondContact O-CG 3.19Å; A194-L198 PolarHBondContact O-N 3.17Å
195I90.6Very high88.1Confident62 Ų6266.3 Ų66.332%0.31834%0.343SS..Hα-helixtrans-57.6-48.6172.3-69.5163.7000110.4C191 N192 K197 L198 L199C191-I195 WeakPolarHBondContact O-CG1 3.46Å; C191-I195 PolarHBondContact O-N 3.33Å; N192-I195 PolarHBondContact O-N 3.45Å; I195-K197 VanDerWaalsContact C-N 3.28Å; I195-K197 PolarHBondContact O-N 2.88Å; I195-L198 PolarHBondContact O-N 3.31Å; I195-L199 HydrophobicContact CG2-CD1 4.17Å; I195-L199 HydrophobicContact CG2-CG 4.49Å; I195-L199 WeakPolarHBondContact O-CG 3.31Å; I195-L199 PolarHBondContact O-N 3.17Å
196Y92.1Very high88.3Confident138 Ų13865.8 Ų65.854%0.54134%0.337SS..Hα-helixtrans-56.6-43.1176.3168.8-100.4000111.9N192 Y193 A194 L199 N200N192-Y196 PolarHBondContact O-N 3.06Å; Y193-Y196 WeakPolarHBondContact O-CB 3.34Å; Y193-Y196 PolarHBondContact O-N 3.46Å; A194-Y196 VanDerWaalsContact C-N 3.35Å; A194-Y196 PolarHBondContact O-N 3.33Å; Y196-L199 PolarHBondContact O-N 2.64Å; Y196-N200 WeakPolarHBondContact CE1-ND2 3.46Å; Y196-N200 PolarHBondContact O-N 2.86Å; Y196-N200 VanDerWaalsContact O-N 3.15Å; Y196-N200 PolarHBondContact O-ND2 3.26Å; Y196-N200 PolarHBondContact OH-ND2 3.45Å
197K92.9Very high88.3Confident52 Ų5265.6 Ų65.623%0.22634%0.341CS..Hα-helixtrans-66.9-44.4177-69.6-75.6-169.9156.70112.8D163 V165 Y193 A194 I195 L199 N200 V201D163-K197 WeakPolarHBondContact OD2-CE 3.23Å; D163-K197 IonicContact OD2-NZ 3.13Å; D163-K197 PolarHBondContact OD2-NZ 2.9Å; V165-K197 HydrophobicContact CB-CB 3.67Å; V165-K197 HydrophobicContact CB-CG 4.5Å; V165-K197 HydrophobicContact CG1-CB 4.21Å; V165-K197 HydrophobicContact CG2-CB 4.09Å; Y193-K197 HydrophobicContact CE1-CG 4.37Å; Y193-K197 WeakPolarHBondContact O-CG 3.23Å; Y193-K197 PolarHBondContact O-N 3.34Å; Y193-K197 WeakPolarHBondContact OH-CE 3.13Å; Y193-K197 PolarHBondContact OH-NZ 2.81Å; A194-K197 PolarHBondContact O-N 3.43Å; I195-K197 VanDerWaalsContact C-N 3.28Å; I195-K197 PolarHBondContact O-N 2.88Å; K197-L199 VanDerWaalsContact C-N 3.29Å; K197-L199 PolarHBondContact O-N 3.38Å; K197-N200 WeakPolarHBondContact O-CB 3.29Å; K197-N200 PolarHBondContact O-N 2.91Å; K197-N200 VanDerWaalsContact O-N 3.09Å; K197-V201 WeakPolarHBondContact O-CG2 3.28Å; K197-V201 PolarHBondContact O-N 2.89Å
198L91Very high88.2Confident57 Ų5766.3 Ų66.330%0.29834%0.337SS..Hα-helixtrans-59-41.2176-75.3172.2000111.5V165 M183 A194 I195 N200 V201 N202V165-L198 HydrophobicContact CG1-CD2 3.83Å; V165-L198 HydrophobicContact CG1-CG 4.3Å; V165-L198 HydrophobicContact CG2-CD2 4.17Å; V165-L198 HydrophobicContact CG2-CG 3.98Å; M183-L198 HydrophobicContact CE-CD1 3.92Å; M183-L198 HydrophobicContact SD-CD1 3.84Å; A194-L198 WeakPolarHBondContact O-CG 3.19Å; A194-L198 PolarHBondContact O-N 3.17Å; I195-L198 PolarHBondContact O-N 3.31Å; L198-N200 VanDerWaalsContact C-N 3.32Å; L198-N200 PolarHBondContact O-N 3.32Å; L198-V201 PolarHBondContact O-N 3.01Å; L198-N202 WeakPolarHBondContact O-CB 3.17Å; L198-N202 PolarHBondContact O-N 3.38Å
199L90.5Very high87.9Confident85 Ų8569.8 Ų69.845%0.44535%0.348SS..Hα-helixtrans-62.3-39.5175.1-70174.7000112I195 Y196 K197 N202 R203I195-L199 HydrophobicContact CG2-CD1 4.17Å; I195-L199 HydrophobicContact CG2-CG 4.49Å; I195-L199 WeakPolarHBondContact O-CG 3.31Å; I195-L199 PolarHBondContact O-N 3.17Å; Y196-L199 PolarHBondContact O-N 2.64Å; K197-L199 VanDerWaalsContact C-N 3.29Å; K197-L199 PolarHBondContact O-N 3.38Å; L199-N202 PolarHBondContact O-N 3.16Å; L199-R203 WeakPolarHBondContact O-CG 3.24Å; L199-R203 PolarHBondContact O-N 3.37Å
200N92.5Very high87.4Confident48 Ų4869.7 Ų69.726%0.25735%0.347SS..Hα-helixtrans-68.2-41.6175.9-72.9-23.2000112.4Y196 K197 L198 R203 T204Y196-N200 WeakPolarHBondContact CE1-ND2 3.46Å; Y196-N200 PolarHBondContact O-N 2.86Å; Y196-N200 VanDerWaalsContact O-N 3.15Å; Y196-N200 PolarHBondContact O-ND2 3.26Å; Y196-N200 PolarHBondContact OH-ND2 3.45Å; K197-N200 WeakPolarHBondContact O-CB 3.29Å; K197-N200 PolarHBondContact O-N 2.91Å; K197-N200 VanDerWaalsContact O-N 3.09Å; L198-N200 VanDerWaalsContact C-N 3.32Å; L198-N200 PolarHBondContact O-N 3.32Å; N200-R203 PolarHBondContact O-N 2.88Å; N200-T204 WeakPolarHBondContact O-CB 3.39Å; N200-T204 PolarHBondContact O-N 3.47Å; N200-T204 PolarHBondContact O-OG1 2.92Å
201V90.1Very high86.8Confident17 Ų1779 Ų7910%0.10338%0.38CS..Hα-helixtrans-61-47173.6171.50000110.1V165 L167 V176 K197 L198 R203 T204 L205V165-V201 HydrophobicContact CG1-CG2 4.12Å; L167-V201 HydrophobicContact CB-CG1 4.5Å; L167-V201 HydrophobicContact CB-CG2 3.95Å; L167-V201 HydrophobicContact CD1-CG1 4.35Å; L167-V201 HydrophobicContact CD2-CG1 4.4Å; V176-V201 HydrophobicContact CG1-CG1 4.27Å; V176-V201 HydrophobicContact CG2-CG1 3.78Å; K197-V201 WeakPolarHBondContact O-CG2 3.28Å; K197-V201 PolarHBondContact O-N 2.89Å; L198-V201 PolarHBondContact O-N 3.01Å; V201-R203 PolarHBondContact O-N 3.42Å; V201-T204 WeakPolarHBondContact O-CB 3.49Å; V201-T204 PolarHBondContact O-N 3.27Å; V201-T204 VanDerWaalsContact O-N 3.12Å; V201-L205 HydrophobicContact CG1-CD1 3.83Å; V201-L205 HydrophobicContact CG1-CG 4.22Å; V201-L205 WeakPolarHBondContact O-CG 3.16Å; V201-L205 PolarHBondContact O-N 3.45Å
202N86.7Confident86.2Confident71 Ų7182.5 Ų82.538%0.3840%0.402SS..Hα-helixtrans-57.5-49.1177-177.930.3000111.7L198 L199 T204 L205 Q206L198-N202 WeakPolarHBondContact O-CB 3.17Å; L198-N202 PolarHBondContact O-N 3.38Å; L199-N202 PolarHBondContact O-N 3.16Å; N202-T204 VanDerWaalsContact C-N 3.28Å; N202-T204 PolarHBondContact O-N 2.9Å; N202-L205 PolarHBondContact O-N 2.9Å; N202-Q206 WeakPolarHBondContact O-CB 3.34Å; N202-Q206 VanDerWaalsContact O-CG 3.26Å; N202-Q206 WeakPolarHBondContact O-CG 3.14Å; N202-Q206 PolarHBondContact O-N 2.89Å; N202-Q206 PolarHBondContact OD1-NE2 3.01Å
203R88.3Confident85.2Confident156 Ų15681.4 Ų81.459%0.58941%0.411SS*.Hα-helixtrans-57.6-42.4175.4-72177-161.1176.35.6111.9L199 N200 V201 Q206 C207L199-R203 WeakPolarHBondContact O-CG 3.24Å; L199-R203 PolarHBondContact O-N 3.37Å; N200-R203 PolarHBondContact O-N 2.88Å; V201-R203 PolarHBondContact O-N 3.42Å; R203-Q206 PolarHBondContact O-N 2.89Å; R203-C207 PolarHBondContact O-N 3.5Å; R203-C207 PolarHBondContact O-SG 3.48Å
204T87.6Confident84.2Confident69 Ų6980.2 Ų80.242%0.42341%0.411SS..Hα-helixtrans-62.2-49.1179-57.60000111L167 N200 V201 N202 Q206 C207 V208L167-T204 HydrophobicContact CD2-CG2 4.04Å; N200-T204 WeakPolarHBondContact O-CB 3.39Å; N200-T204 PolarHBondContact O-N 3.47Å; N200-T204 PolarHBondContact O-OG1 2.92Å; V201-T204 WeakPolarHBondContact O-CB 3.49Å; V201-T204 PolarHBondContact O-N 3.27Å; V201-T204 VanDerWaalsContact O-N 3.12Å; N202-T204 VanDerWaalsContact C-N 3.28Å; N202-T204 PolarHBondContact O-N 2.9Å; T204-Q206 PolarHBondContact O-N 3.06Å; T204-C207 WeakPolarHBondContact O-CB 3.27Å; T204-C207 PolarHBondContact O-N 3.3Å; T204-V208 WeakPolarHBondContact O-CG2 3.43Å; T204-V208 PolarHBondContact O-N 3.19Å
205L84.7Confident83.1Confident21 Ų2190.6 Ų90.611%0.1145%0.45CS..Hα-helixtrans-66.3-36.1179.1-65.4177.8000112.3L167 P174 V201 N202 V208 K209 V239L167-L205 HydrophobicContact CD1-CD2 4.41Å; P174-L205 HydrophobicContact CB-CD2 3.64Å; P174-L205 HydrophobicContact CG-CD2 3.66Å; V201-L205 HydrophobicContact CG1-CD1 3.83Å; V201-L205 HydrophobicContact CG1-CG 4.22Å; V201-L205 WeakPolarHBondContact O-CG 3.16Å; V201-L205 PolarHBondContact O-N 3.45Å; N202-L205 PolarHBondContact O-N 2.9Å; L205-V208 PolarHBondContact O-N 3.07Å; L205-K209 WeakPolarHBondContact O-CB 3.48Å; L205-K209 PolarHBondContact O-N 3.04Å; L205-V239 HydrophobicContact CD1-CG2 4.17Å
206Q82.8Confident82Confident104 Ų10489.1 Ų89.149%0.48644%0.44SS..Hα-helixtrans-62.8-45.1172.6-75.3179.4-12.700111.6N202 R203 T204 V208 K209 V210N202-Q206 WeakPolarHBondContact O-CB 3.34Å; N202-Q206 VanDerWaalsContact O-CG 3.26Å; N202-Q206 WeakPolarHBondContact O-CG 3.14Å; N202-Q206 PolarHBondContact O-N 2.89Å; N202-Q206 PolarHBondContact OD1-NE2 3.01Å; R203-Q206 PolarHBondContact O-N 2.89Å; T204-Q206 PolarHBondContact O-N 3.06Å; Q206-V208 VanDerWaalsContact C-N 3.32Å; Q206-V208 PolarHBondContact O-N 2.07Å; Q206-K209 PolarHBondContact O-N 3.08Å; Q206-V210 WeakPolarHBondContact O-CG2 3.49Å; Q206-V210 PolarHBondContact O-N 3.31Å
207C82.6Confident80.6Confident76 Ų7686.8 Ų86.851%0.51444%0.437SS..Hα-helixtrans-60.1-41.4175.5-74.50000112.1R203 T204 R211R203-C207 PolarHBondContact O-N 3.5Å; R203-C207 PolarHBondContact O-SG 3.48Å; T204-C207 WeakPolarHBondContact O-CB 3.27Å; T204-C207 PolarHBondContact O-N 3.3Å; C207-R211 WeakPolarHBondContact O-CG 3.33Å; C207-R211 PolarHBondContact O-N 3.15Å
208V81.5Confident79.2Confident57 Ų5790.5 Ų90.535%0.34545%0.451SS..Hα-helixtrans-64.1-48.9175.5173.30000110.5T204 L205 Q206 V210 R211 T212 W216T204-V208 WeakPolarHBondContact O-CG2 3.43Å; T204-V208 PolarHBondContact O-N 3.19Å; L205-V208 PolarHBondContact O-N 3.07Å; Q206-V208 VanDerWaalsContact C-N 3.32Å; Q206-V208 PolarHBondContact O-N 2.07Å; V208-V210 VanDerWaalsContact C-N 3.31Å; V208-V210 PolarHBondContact O-N 3.25Å; V208-R211 PolarHBondContact O-N 3.49Å; V208-T212 HydrophobicContact CG1-CG2 4.28Å; V208-T212 PolarHBondContact O-N 3.5Å; V208-T212 PolarHBondContact O-OG1 3.41Å; V208-W216 HydrophobicContact CG1-CZ2 4.36Å
209K77.4Confident77.8Confident110 Ų11093.3 Ų93.348%0.47846%0.458SS..Hα-helixtrans-55-43.9178-179.8177-177.5-179.40112.4L205 Q206 R211 G213L205-K209 WeakPolarHBondContact O-CB 3.48Å; L205-K209 PolarHBondContact O-N 3.04Å; Q206-K209 PolarHBondContact O-N 3.08Å; K209-R211 VanDerWaalsContact C-N 3.35Å; K209-G213 WeakPolarHBondContact O-CA 3.11Å; K209-G213 PolarHBondContact O-N 2.91Å
210V76.9Confident76.5Confident127 Ų12794.9 Ų94.977%0.7746%0.462SS*.Hα-helixtrans-65.1-38.3177.9171.20000111.7Q206 V208Q206-V210 WeakPolarHBondContact O-CG2 3.49Å; Q206-V210 PolarHBondContact O-N 3.31Å; V208-V210 VanDerWaalsContact C-N 3.31Å; V208-V210 PolarHBondContact O-N 3.25Å
211R74.9Confident75.3Confident223 Ų22397.4 Ų97.484%0.84247%0.468SS*.Hα-helixtrans-75.5-34.6-178.6-74.7-178.5175.3-177.1-0.6113.8C207 V208 K209C207-R211 WeakPolarHBondContact O-CG 3.33Å; C207-R211 PolarHBondContact O-N 3.15Å; V208-R211 PolarHBondContact O-N 3.49Å; K209-R211 VanDerWaalsContact C-N 3.35Å
212T75Confident74Confident75 Ų75103.3 Ų103.346%0.4649%0.49SS..Hα-helixtrans-102-18.9-17463.30000113.6V208 I214V208-T212 HydrophobicContact CG1-CG2 4.28Å; V208-T212 PolarHBondContact O-N 3.5Å; V208-T212 PolarHBondContact O-OG1 3.41Å; T212-I214 HydrophobicContact CG2-CD1 4.28Å; T212-I214 PolarHBondContact O-N 2.98Å; T212-I214 WeakPolarHBondContact OG1-CD1 3.23Å; T212-I214 WeakPolarHBondContact OG1-CG1 3.32Å; T212-I214 PolarHBondContact OG1-N 3.08Å
213G70.7Confident72.5Confident65 Ų65101 Ų10167%0.6748%0.479SS*.  trans70.55.9-173.500000114.4K209 R215K209-G213 WeakPolarHBondContact O-CA 3.11Å; K209-G213 PolarHBondContact O-N 2.91Å; G213-R215 PolarHBondContact O-N 2.92Å
214I68.9Low70.5Confident72 Ų7298.4 Ų98.437%0.36948%0.481SS..  trans-68.7130.9-175.7-64.4169.2000110.4T212 W216T212-I214 HydrophobicContact CG2-CD1 4.28Å; T212-I214 PolarHBondContact O-N 2.98Å; T212-I214 WeakPolarHBondContact OG1-CD1 3.23Å; T212-I214 WeakPolarHBondContact OG1-CG1 3.32Å; T212-I214 PolarHBondContact OG1-N 3.08Å; I214-W216 HydrophobicContact CB-CZ2 4.21Å; I214-W216 HydrophobicContact CD1-CH2 4.38Å; I214-W216 HydrophobicContact CD1-CZ2 4.09Å; I214-W216 HydrophobicContact CG2-CD2 3.76Å; I214-W216 HydrophobicContact CG2-CE3 4.12Å; I214-W216 HydrophobicContact CG2-CG 4.27Å; I214-W216 HydrophobicContact CG2-CH2 4.23Å; I214-W216 HydrophobicContact CG2-CZ2 3.86Å; I214-W216 HydrophobicContact CG2-CZ3 4.34Å
215R67.3Low68.4Low218 Ų21898.2 Ų98.282%0.82348%0.482SS*.  trans-89.2115.7167179.6-179.1-87.3-167.8-5.4108.4G213G213-R215 PolarHBondContact O-N 2.92Å
216W67Low66.3Low30 Ų30101.9 Ų101.911%0.11451%0.508CS..PPolyproline II helixtrans-93.4139.9177.4-56.2101.2000111.7L173 P174 V208 I214 V239 A240L173-W216 HydrophobicContact CD2-CZ3 4.36Å; P174-W216 HydrophobicContact CG-CH2 4.3Å; P174-W216 HydrophobicContact CG-CZ3 4.45Å; V208-W216 HydrophobicContact CG1-CZ2 4.36Å; I214-W216 HydrophobicContact CB-CZ2 4.21Å; I214-W216 HydrophobicContact CD1-CH2 4.38Å; I214-W216 HydrophobicContact CD1-CZ2 4.09Å; I214-W216 HydrophobicContact CG2-CD2 3.76Å; I214-W216 HydrophobicContact CG2-CE3 4.12Å; I214-W216 HydrophobicContact CG2-CG 4.27Å; I214-W216 HydrophobicContact CG2-CH2 4.23Å; I214-W216 HydrophobicContact CG2-CZ2 3.86Å; I214-W216 HydrophobicContact CG2-CZ3 4.34Å; W216-V239 HydrophobicContact CB-CG1 3.37Å; W216-V239 HydrophobicContact CD2-CG1 3.63Å; W216-V239 HydrophobicContact CE3-CB 4.5Å; W216-V239 HydrophobicContact CE3-CG1 3.8Å; W216-V239 HydrophobicContact CG-CG1 3.46Å; W216-V239 VanDerWaalsContact CG-CG1 3.46Å; W216-V239 WeakPolarHBondContact CZ3-O 3.49Å; W216-A240 VanDerWaalsContact CE3-OXT 3.27Å
217N64.2Low64.2Low90 Ų90101.7 Ų101.748%0.48152%0.518SS..PPolyproline II helixtrans-95.8146161.4-60.4-60.8000109.2Y219 V239 A240N217-Y219 HydrophobicContact CB-CE2 3.81Å; N217-V239 CarbonylContact O-C 3.58Å; N217-V239 WeakPolarHBondContact O-CA 3.13Å; N217-A240 WeakPolarHBondContact CA-O 2.79Å; N217-A240 WeakPolarHBondContact CB-O 2.91Å; N217-A240 PolarHBondContact N-O 3.24Å; N217-A240 PolarHBondContact O-N 3.47Å
218Y62.2Low62.3Low129 Ų129104 Ų10451%0.50653%0.532SS..EExtended strand (participates in β ladder)trans-102.8124.3177.2-60.4-86.7000108.9I237 T238 V239Y218-I237 HydrophobicContact CD1-CG2 4.42Å; Y218-T238 WeakPolarHBondContact CA-O 3.47Å; Y218-V239 HydrophobicContact CD1-CG1 4.48Å; Y218-V239 HydrophobicContact CD1-CG2 3.91Å; Y218-V239 HydrophobicContact CE1-CG1 4.16Å; Y218-V239 HydrophobicContact CE1-CG2 3.92Å
219Y62.7Low60.6Low116 Ų116105.7 Ų105.746%0.45554%0.536SS..EExtended strand (participates in β ladder)trans-114.1127169.5-53.5-95.8000109.2N217 T238 A240N217-Y219 HydrophobicContact CB-CE2 3.81Å; Y219-T238 WeakPolarHBondContact CB-OG1 3.33Å; Y219-T238 PolarHBondContact N-O 2.64Å; Y219-T238 PolarHBondContact O-N 3.2Å; Y219-T238 PolarHBondContact O-OG1 3.38Å; Y219-A240 HydrophobicContact CD2-CB 4.24Å; Y219-A240 HydrophobicContact CE2-CB 3.99Å
220F62.9Low59.2Low119 Ų119104.3 Ų104.352%0.52254%0.539SS..EExtended strand (participates in β ladder)trans-98.7121.9178.6-64.3-94.1000108.7Y222 I235 I237F220-Y222 HydrophobicContact CB-CD1 4.33Å; F220-I235 HydrophobicContact CD1-CG2 4.48Å; F220-I237 HydrophobicContact CD1-CD1 4.16Å; F220-I237 HydrophobicContact CD1-CG1 3.83Å; F220-I237 HydrophobicContact CD1-CG2 4.29Å; F220-I237 HydrophobicContact CE1-CD1 3.76Å; F220-I237 HydrophobicContact CE1-CG1 3.92Å; F220-I237 HydrophobicContact CE1-CG2 4.08Å; F220-I237 HydrophobicContact CZ-CG2 4.44Å
221Y67.3Low57.8Low100 Ų10099.8 Ų99.839%0.39251%0.513SS..EExtended strand (participates in β ladder)trans-108.4128.3167.8-61.2-90.8000107.8I57 L236 T238I57-Y221 HydrophobicContact CD1-CD1 3.56Å; I57-Y221 HydrophobicContact CD1-CD2 4.17Å; I57-Y221 HydrophobicContact CD1-CE1 3.8Å; I57-Y221 HydrophobicContact CD1-CE2 4.38Å; I57-Y221 HydrophobicContact CD1-CG 3.75Å; Y221-L236 HydrophobicContact CD2-CD2 4.38Å; Y221-L236 PolarHBondContact N-O 3.02Å; Y221-L236 PolarHBondContact O-N 2.89Å; Y221-T238 HydrophobicContact CD2-CG2 3.85Å; Y221-T238 HydrophobicContact CE2-CG2 3.62Å
222Y63.3Low56.8Low142 Ų14289.8 Ų89.856%0.55748%0.477SS*.EExtended strand (participates in β ladder)trans-141.1141.6-179.248.4-78000107.3F220 T224F220-Y222 HydrophobicContact CB-CD1 4.33Å; Y222-T224 HydrophobicContact CD2-CG2 3.3Å; Y222-T224 HydrophobicContact CE2-CG2 3.11Å
223S54.7Low56Low21 Ų2187 Ų8715%0.14746%0.459CS..  trans-69.9134157.1-171.40000107.5D60 Q233D60-S223 WeakPolarHBondContact OD2-CB 3.44Å; D60-S223 PolarHBondContact OD2-OG 2.97Å; S223-Q233 VanDerWaalsContact C-OE1 3.22Å; S223-Q233 PolarHBondContact O-OE1 3.16Å; S223-Q233 PolarHBondContact OG-NE2 2.81Å
224T45.4Very low55.4Low103 Ų10384 Ų8463%0.63243%0.427SS*.  trans-98109.4179.145.70000111.5Y222Y222-T224 HydrophobicContact CD2-CG2 3.3Å; Y222-T224 HydrophobicContact CE2-CG2 3.11Å
225S43Very low54.8Low65 Ų6582.8 Ų82.846%0.45542%0.421SS..  trans-147.352.1143.158.70000110.7S227 Q233S225-S227 PolarHBondContact O-N 3.21Å; S225-Q233 PolarHBondContact OG-NE2 3.35Å; S225-Q233 VanDerWaalsContact OG-NE2 3.15Å; S225-Q233 PolarHBondContact OG-OE1 3.01Å
226C41.9Very low54.6Low97 Ų9772.4 Ų72.466%0.65538%0.382SS*.  trans-70.473.4171-65.40000111.1
227S38.4Very low54.4Low100 Ų10072.5 Ų72.570%0.69938%0.384SS*.SBendtrans171.9127.1153.9171.40000109.2S225S225-S227 PolarHBondContact O-N 3.21Å
228P43Very low54Low124 Ų12468.8 Ų68.881%0.80537%0.365SS*.SBendcis-102.50.613.635.7-28.6000115.5
229E45.6Very low53.4Low93 Ų9362.8 Ų62.844%0.43534%0.342SS..SBendtrans-92.6119.2172.5-66.1-161.5170.300110.3F144 C231F144-E229 WeakPolarHBondContact CD1-OE2 3.37Å; E229-C231 VanDerWaalsContact C-N 3.35Å; E229-C231 PolarHBondContact O-N 2.68Å
230P47Very low52.8Low81 Ų8160.1 Ų60.153%0.52634%0.343SS..THydrogen-bonded Turntrans-72.5-15.9-164.521.8-29.4000115.8
231C49.2Very low52.3Low33 Ų3357.2 Ų57.222%0.22333%0.334CS..THydrogen-bonded Turntrans-146.737.8-172.5-67.20000115.7F144 S180 M181 E229F144-C231 HydrophobicContact CE2-CB 4.45Å; S180-C231 CarbonylContact C-O 3.04Å; S180-C231 WeakPolarHBondContact CB-O 3.45Å; S180-C231 PolarHBondContact OG-O 3.1Å; M181-C231 PolarHBondContact N-O 3.28Å; E229-C231 VanDerWaalsContact C-N 3.35Å; E229-C231 PolarHBondContact O-N 2.68Å
232S53.7Low51.5Low12 Ų1254.9 Ų54.98%0.08433%0.331CS..  trans-76.4-19.4-17552.20000116.1N139N139-S232 PolarHBondContact N-O 3Å; N139-S232 PolarHBondContact OD1-O 2.89Å
233Q57.8Low50.8Low18 Ų1850.1 Ų50.18%0.08432%0.319CS..SBendtrans-120.4140.3-166.5-68.6176.5-40.600115.3D60 S180 S223 S225D60-Q233 PolarHBondContact OD1-NE2 2.89Å; S180-Q233 WeakPolarHBondContact CB-O 3.49Å; S180-Q233 PolarHBondContact OG-N 3.05Å; S180-Q233 VanDerWaalsContact OG-N 3.12Å; S180-Q233 PolarHBondContact OG-O 3.38Å; S223-Q233 VanDerWaalsContact C-OE1 3.22Å; S223-Q233 PolarHBondContact O-OE1 3.16Å; S223-Q233 PolarHBondContact OG-NE2 2.81Å; S225-Q233 PolarHBondContact OG-NE2 3.35Å; S225-Q233 VanDerWaalsContact OG-NE2 3.15Å; S225-Q233 PolarHBondContact OG-OE1 3.01Å
234A57.7Low50.6Low0 Ų051.8 Ų51.80%033%0.329CS..  trans-55.2142.6-175.100000115L100 V136L100-A234 VanDerWaalsContact C-CB 3.48Å; L100-A234 HydrophobicContact CB-CB 4.16Å; V136-A234 HydrophobicContact CB-CB 3.5Å; V136-A234 VanDerWaalsContact CB-CB 3.5Å; V136-A234 HydrophobicContact CG1-CB 3.43Å; V136-A234 VanDerWaalsContact CG1-CB 3.43Å; V136-A234 HydrophobicContact CG2-CB 4.3Å
235I57.4Low50.9Low47 Ų4748.6 Ų48.624%0.24131%0.31CS..EExtended strand (participates in β ladder)trans-113.8126.5178.5-55.2169.3000108.8V178 F220 I237V178-I235 HydrophobicContact CB-CB 4.27Å; V178-I235 PolarHBondContact N-O 3.39Å; V178-I235 PolarHBondContact O-N 3.32Å; V178-I235 VanDerWaalsContact O-N 3.13Å; F220-I235 HydrophobicContact CD1-CG2 4.48Å; I235-I237 HydrophobicContact CG2-CD1 4.35Å; I235-I237 HydrophobicContact CG2-CG1 3.69Å
236L62.5Low51.5Low1 Ų147.5 Ų47.51%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-104.5115.3164.8175.972.2000108.4I57 F98 L100 F175 L177 Y221 T238I57-L236 HydrophobicContact CD1-CD2 4.04Å; I57-L236 HydrophobicContact CG1-CD2 4.37Å; F98-L236 HydrophobicContact CB-CD2 3.98Å; F98-L236 HydrophobicContact CD1-CD1 4.01Å; F98-L236 HydrophobicContact CD1-CD2 4.27Å; F98-L236 HydrophobicContact CD2-CD2 3.85Å; F98-L236 HydrophobicContact CE1-CD1 4.2Å; F98-L236 HydrophobicContact CE2-CD2 4.41Å; F98-L236 HydrophobicContact CG-CD1 4.35Å; F98-L236 HydrophobicContact CG-CD2 3.77Å; L100-L236 HydrophobicContact CD2-CB 3.65Å; F175-L236 HydrophobicContact CB-CD1 4.17Å; F175-L236 HydrophobicContact CD1-CD1 4.07Å; F175-L236 HydrophobicContact CD1-CD2 4.39Å; L177-L236 HydrophobicContact CD1-CD1 4.23Å; L177-L236 HydrophobicContact CG-CD1 3.8Å; Y221-L236 HydrophobicContact CD2-CD2 4.38Å; Y221-L236 PolarHBondContact N-O 3.02Å; Y221-L236 PolarHBondContact O-N 2.89Å; L236-T238 HydrophobicContact CD2-CG2 4.21Å; L236-T238 HydrophobicContact CG-CG2 4.15Å
237I63.4Low52.1Low31 Ų3143.9 Ų43.916%0.15928%0.275CS..EExtended strand (participates in β ladder)trans-100.7117.5173-48.6175.9000107V176 V178 Y218 F220 I235V176-I237 HydrophobicContact CB-CB 4.22Å; V176-I237 PolarHBondContact N-O 2.65Å; V176-I237 PolarHBondContact O-N 3.22Å; V178-I237 HydrophobicContact CG2-CD1 4.31Å; Y218-I237 HydrophobicContact CD1-CG2 4.42Å; F220-I237 HydrophobicContact CD1-CD1 4.16Å; F220-I237 HydrophobicContact CD1-CG1 3.83Å; F220-I237 HydrophobicContact CD1-CG2 4.29Å; F220-I237 HydrophobicContact CE1-CD1 3.76Å; F220-I237 HydrophobicContact CE1-CG1 3.92Å; F220-I237 HydrophobicContact CE1-CG2 4.08Å; F220-I237 HydrophobicContact CZ-CG2 4.44Å; I235-I237 HydrophobicContact CG2-CD1 4.35Å; I235-I237 HydrophobicContact CG2-CG1 3.69Å
238T55Low53.2Low13 Ų1339.6 Ų39.68%0.0824%0.242CC..EExtended strand (participates in β ladder)trans-97.8139.6170.368.90000109.2F175 Y218 Y219 Y221 L236F175-T238 HydrophobicContact CD1-CG2 3.53Å; F175-T238 HydrophobicContact CE1-CG2 3.45Å; F175-T238 VanDerWaalsContact CE1-CG2 3.45Å; Y218-T238 WeakPolarHBondContact CA-O 3.47Å; Y219-T238 WeakPolarHBondContact CB-OG1 3.33Å; Y219-T238 PolarHBondContact N-O 2.64Å; Y219-T238 PolarHBondContact O-N 3.2Å; Y219-T238 PolarHBondContact O-OG1 3.38Å; Y221-T238 HydrophobicContact CD2-CG2 3.85Å; Y221-T238 HydrophobicContact CE2-CG2 3.62Å; L236-T238 HydrophobicContact CD2-CG2 4.21Å; L236-T238 HydrophobicContact CG-CG2 4.15Å
239V49.5Very low54.1Low3 Ų332.6 Ų32.62%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-112.7106.1176.2-175.10000105P174 L205 W216 N217 Y218P174-V239 HydrophobicContact CB-CB 4.11Å; P174-V239 HydrophobicContact CB-CG2 4.39Å; P174-V239 VanDerWaalsContact CD-O 3.31Å; P174-V239 WeakPolarHBondContact CD-O 3.38Å; P174-V239 HydrophobicContact CG-CB 3.88Å; P174-V239 HydrophobicContact CG-CG1 4.2Å; P174-V239 PolarHBondContact O-N 3.19Å; L205-V239 HydrophobicContact CD1-CG2 4.17Å; W216-V239 HydrophobicContact CB-CG1 3.37Å; W216-V239 HydrophobicContact CD2-CG1 3.63Å; W216-V239 HydrophobicContact CE3-CB 4.5Å; W216-V239 HydrophobicContact CE3-CG1 3.8Å; W216-V239 HydrophobicContact CG-CG1 3.46Å; W216-V239 VanDerWaalsContact CG-CG1 3.46Å; W216-V239 WeakPolarHBondContact CZ3-O 3.49Å; N217-V239 CarbonylContact O-C 3.58Å; N217-V239 WeakPolarHBondContact O-CA 3.13Å; Y218-V239 HydrophobicContact CD1-CG1 4.48Å; Y218-V239 HydrophobicContact CD1-CG2 3.91Å; Y218-V239 HydrophobicContact CE1-CG1 4.16Å; Y218-V239 HydrophobicContact CE1-CG2 3.92Å
240A49.8Very low54.8Low59 Ų5927.1 Ų27.149%0.48817%0.173SC..  trans-125.10-176.500000112.1W216 N217 Y219W216-A240 VanDerWaalsContact CE3-OXT 3.27Å; N217-A240 WeakPolarHBondContact CA-O 2.79Å; N217-A240 WeakPolarHBondContact CB-O 2.91Å; N217-A240 PolarHBondContact N-O 3.24Å; N217-A240 PolarHBondContact O-N 3.47Å; Y219-A240 HydrophobicContact CD2-CB 4.24Å; Y219-A240 HydrophobicContact CE2-CB 3.99Å

Retrieved 240 of 240 residues in 172.9 ms (Link to these results)

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