A0A087Y804_POEFO Loading...

B-cell translocation gene 3

AlphaFold DB , UniProt , Accession A0A087Y804, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 236 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
1N82.5Confident95.3Very high121 Ų12134.1 Ų34.165%0.64717%0.165SC*.  0136.10-168.6-17.6000107.5M3 E137N1-M3 WeakPolarHBondContact OD1-CG 3.42Å; N1-M3 PolarHBondContact OD1-N 3.49Å; N1-M3 VanDerWaalsContact OD1-N 3.1Å; N1-E137 PolarHBondContact ND2-OE1 3.42Å
2M94.2Very high95.5Very high28 Ų2833.7 Ų33.714%0.13816%0.162CC..  trans-102.1-4.6-175.665.5-173.169.200113.8R4 E5 I6 Q40 F43 W47M2-R4 VanDerWaalsContact C-N 3.28Å; M2-R4 PolarHBondContact O-N 2.92Å; M2-E5 VanDerWaalsContact C-OE2 3.27Å; M2-E5 WeakPolarHBondContact CA-OE2 3.09Å; M2-E5 PolarHBondContact O-N 3.27Å; M2-I6 HydrophobicContact CG-CD1 3.8Å; M2-I6 WeakPolarHBondContact O-CG1 3.15Å; M2-I6 PolarHBondContact O-N 3.5Å; M2-I6 VanDerWaalsContact O-N 3.08Å; M2-I6 HydrophobicContact SD-CD1 4Å; M2-Q40 HydrophobicContact SD-CG 4.44Å; M2-F43 HydrophobicContact CE-CB 4.02Å; M2-F43 HydrophobicContact SD-CB 3.5Å; M2-F43 VanDerWaalsContact SD-CB 3.5Å; M2-F43 HydrophobicContact SD-CD2 4.21Å; M2-F43 HydrophobicContact SD-CG 4.39Å; M2-W47 HydrophobicContact CB-CD2 3.64Å; M2-W47 VanDerWaalsContact CB-CE2 3.49Å; M2-W47 HydrophobicContact CB-CE3 3.97Å; M2-W47 HydrophobicContact CB-CG 4.17Å; M2-W47 HydrophobicContact CB-CH2 4.09Å; M2-W47 HydrophobicContact CB-CZ2 3.72Å; M2-W47 HydrophobicContact CB-CZ3 4.19Å; M2-W47 HydrophobicContact CE-CB 3.93Å; M2-W47 HydrophobicContact CE-CD2 4.49Å; M2-W47 HydrophobicContact CE-CG 4.11Å
3M94.5Very high95.7Very high2 Ų231.2 Ų31.21%0.0115%0.15CC..Hα-helixtrans-68.7-25.3-168.3-65.9-56.7-77.300113.4N1 I6 A7 Q40 T133 L136 E137 T140N1-M3 WeakPolarHBondContact OD1-CG 3.42Å; N1-M3 PolarHBondContact OD1-N 3.49Å; N1-M3 VanDerWaalsContact OD1-N 3.1Å; M3-I6 HydrophobicContact SD-CD1 4.16Å; M3-A7 VanDerWaalsContact O-CB 3.26Å; M3-A7 WeakPolarHBondContact O-CB 3.45Å; M3-A7 PolarHBondContact O-N 2.72Å; M3-Q40 HydrophobicContact SD-CG 4.22Å; M3-Q40 PolarHBondContact SD-NE2 3.29Å; M3-T133 HydrophobicContact CB-CG2 3.8Å; M3-L136 HydrophobicContact CE-CB 3.73Å; M3-L136 HydrophobicContact CE-CD2 3.66Å; M3-L136 HydrophobicContact CE-CG 3.47Å; M3-L136 VanDerWaalsContact CE-CG 3.47Å; M3-E137 HydrophobicContact CE-CB 4.48Å; M3-E137 HydrophobicContact CE-CG 3.8Å; M3-E137 HydrophobicContact CG-CG 3.83Å; M3-E137 HydrophobicContact SD-CG 4.45Å; M3-T140 HydrophobicContact CE-CG2 4.16Å
4R94.5Very high95.9Very high93 Ų9331.7 Ų31.735%0.35115%0.151SC..Hα-helixtrans-69.2-42.4176.7-67-172.5-66.1-164.50.9110.9M2 A7 A8 F118 T133M2-R4 VanDerWaalsContact C-N 3.28Å; M2-R4 PolarHBondContact O-N 2.92Å; R4-A7 WeakPolarHBondContact O-CB 3.14Å; R4-A7 PolarHBondContact O-N 2.7Å; R4-A8 PolarHBondContact O-N 3.48Å; R4-F118 HydrophobicContact CB-CD1 3.93Å; R4-F118 HydrophobicContact CB-CE1 3.75Å; R4-F118 HydrophobicContact CB-CG 4.43Å; R4-F118 HydrophobicContact CB-CZ 4.12Å; R4-F118 VanDerWaalsContact O-CZ 3.32Å; R4-F118 WeakPolarHBondContact O-CZ 3.39Å; R4-T133 HydrophobicContact CB-CG2 4.33Å; R4-T133 HydrophobicContact CG-CG2 3.39Å
5E97.1Very high96Very high4 Ų442.1 Ų42.12%0.01919%0.188CC..Hα-helixtrans-66.6-45.6177.5-64.679.7174.900110.7M2 A7 A8 V9 W47 V97 D98 G100 V102 F118M2-E5 VanDerWaalsContact C-OE2 3.27Å; M2-E5 WeakPolarHBondContact CA-OE2 3.09Å; M2-E5 PolarHBondContact O-N 3.27Å; E5-A7 VanDerWaalsContact C-N 3.33Å; E5-A7 PolarHBondContact O-N 3.4Å; E5-A8 PolarHBondContact O-N 3.36Å; E5-V9 WeakPolarHBondContact O-CG2 3.27Å; E5-V9 PolarHBondContact O-N 3.36Å; E5-W47 HydrophobicContact CB-CH2 3.82Å; E5-W47 HydrophobicContact CB-CZ2 4.21Å; E5-W47 HydrophobicContact CG-CH2 3.76Å; E5-W47 HydrophobicContact CG-CZ2 3.8Å; E5-V97 HydrophobicContact CB-CG1 3.87Å; E5-D98 WeakPolarHBondContact CG-O 3.37Å; E5-G100 PolarHBondContact OE1-N 3.37Å; E5-V102 HydrophobicContact CB-CG2 3.89Å; E5-V102 HydrophobicContact CG-CG2 4.27Å; E5-F118 HydrophobicContact CB-CE2 4.31Å; E5-F118 HydrophobicContact CG-CD2 3.95Å; E5-F118 HydrophobicContact CG-CE2 3.7Å
6I98.1Very high96Very high0 Ų041.5 Ų41.50%019%0.187CC..Hα-helixtrans-60.2-44.2174.1-64.2175.2000110.5M2 M3 A8 V9 V10 A36 L39 Q40 F43 L136M2-I6 HydrophobicContact CG-CD1 3.8Å; M2-I6 WeakPolarHBondContact O-CG1 3.15Å; M2-I6 PolarHBondContact O-N 3.5Å; M2-I6 VanDerWaalsContact O-N 3.08Å; M2-I6 HydrophobicContact SD-CD1 4Å; M3-I6 HydrophobicContact SD-CD1 4.16Å; I6-A8 PolarHBondContact O-N 3.36Å; I6-V9 WeakPolarHBondContact O-CB 3.21Å; I6-V9 PolarHBondContact O-N 3.47Å; I6-V10 HydrophobicContact CG2-CG1 4.34Å; I6-V10 PolarHBondContact O-N 3.4Å; I6-A36 HydrophobicContact CG2-CB 4.04Å; I6-L39 HydrophobicContact CD1-CB 4.22Å; I6-L39 HydrophobicContact CG1-CB 4.29Å; I6-L39 HydrophobicContact CG2-CB 4.38Å; I6-L39 HydrophobicContact CG2-CD1 4.41Å; I6-Q40 HydrophobicContact CD1-CB 3.98Å; I6-F43 HydrophobicContact CD1-CD2 4.14Å; I6-F43 HydrophobicContact CD1-CE2 4.44Å; I6-F43 HydrophobicContact CG1-CD2 4.14Å; I6-F43 HydrophobicContact CG1-CE2 4.01Å; I6-L136 HydrophobicContact CB-CD2 4.29Å; I6-L136 HydrophobicContact CG2-CD2 3.91Å
7A96.9Very high96.1Very high5 Ų539.2 Ų39.24%0.04118%0.177CC..Hα-helixtrans-56.9-47.7176.900000111.6M3 R4 E5 V9 V10 F11 V132 L136M3-A7 VanDerWaalsContact O-CB 3.26Å; M3-A7 WeakPolarHBondContact O-CB 3.45Å; M3-A7 PolarHBondContact O-N 2.72Å; R4-A7 WeakPolarHBondContact O-CB 3.14Å; R4-A7 PolarHBondContact O-N 2.7Å; E5-A7 VanDerWaalsContact C-N 3.33Å; E5-A7 PolarHBondContact O-N 3.4Å; A7-V9 VanDerWaalsContact C-N 3.33Å; A7-V9 PolarHBondContact O-N 3.38Å; A7-V10 VanDerWaalsContact O-CG2 3.29Å; A7-V10 WeakPolarHBondContact O-CG2 3.07Å; A7-V10 PolarHBondContact O-N 3.25Å; A7-F11 HydrophobicContact CB-CD2 4.44Å; A7-F11 HydrophobicContact CB-CE2 4.45Å; A7-F11 WeakPolarHBondContact O-CB 2.98Å; A7-F11 WeakPolarHBondContact O-CD2 3.42Å; A7-F11 PolarHBondContact O-N 3.16Å; A7-V132 HydrophobicContact CB-CG1 3.61Å; A7-L136 HydrophobicContact CB-CD2 4.08Å
8A97.3Very high96.1Very high17 Ų1741.9 Ų41.914%0.1419%0.188CC..Hα-helixtrans-60.3-41.7177.600000112.7R4 E5 I6 F12 V102 A116 F118R4-A8 PolarHBondContact O-N 3.48Å; E5-A8 PolarHBondContact O-N 3.36Å; I6-A8 PolarHBondContact O-N 3.36Å; A8-F12 VanDerWaalsContact O-CB 3.24Å; A8-F12 WeakPolarHBondContact O-CB 3.3Å; A8-F12 PolarHBondContact O-N 3.02Å; A8-V102 HydrophobicContact CB-CG2 4.31Å; A8-A116 HydrophobicContact CB-CB 3.74Å; A8-F118 HydrophobicContact CB-CZ 3.82Å
9V98.4Very high96Very high0 Ų048.9 Ų48.90%022%0.219CC..Hα-helixtrans-60.1-50.3175.6170.40000111.1E5 I6 A7 F12 L13 L39 I61 L95 V97 V102E5-V9 WeakPolarHBondContact O-CG2 3.27Å; E5-V9 PolarHBondContact O-N 3.36Å; I6-V9 WeakPolarHBondContact O-CB 3.21Å; I6-V9 PolarHBondContact O-N 3.47Å; A7-V9 VanDerWaalsContact C-N 3.33Å; A7-V9 PolarHBondContact O-N 3.38Å; V9-F12 PolarHBondContact O-N 3.04Å; V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 WeakPolarHBondContact O-CG 3.46Å; V9-L13 PolarHBondContact O-N 2.65Å; V9-L39 HydrophobicContact CG1-CD1 3.91Å; V9-I61 HydrophobicContact CG1-CD1 3.74Å; V9-L95 HydrophobicContact CG1-CD1 4.45Å; V9-V97 HydrophobicContact CG2-CB 4.32Å; V9-V97 HydrophobicContact CG2-CG1 3.84Å; V9-V97 HydrophobicContact CG2-CG2 3.51Å; V9-V102 HydrophobicContact CG2-CG1 3.7Å; V9-V102 HydrophobicContact CG2-CG2 4.2Å
10V97.6Very high95.7Very high5 Ų547.9 Ų47.93%0.0322%0.222CC..Hα-helixtrans-70.1-36-176.4-590000112.1I6 A7 F12 K14 I32 L35 A36I6-V10 HydrophobicContact CG2-CG1 4.34Å; I6-V10 PolarHBondContact O-N 3.4Å; A7-V10 VanDerWaalsContact O-CG2 3.29Å; A7-V10 WeakPolarHBondContact O-CG2 3.07Å; A7-V10 PolarHBondContact O-N 3.25Å; V10-F12 VanDerWaalsContact C-N 3.35Å; V10-F12 PolarHBondContact O-N 3.17Å; V10-K14 WeakPolarHBondContact O-CB 3.46Å; V10-K14 PolarHBondContact O-N 3.16Å; V10-I32 HydrophobicContact CB-CD1 4.23Å; V10-I32 HydrophobicContact CB-CG2 3.58Å; V10-I32 HydrophobicContact CG1-CG2 4.35Å; V10-I32 HydrophobicContact CG2-CG2 3.84Å; V10-I32 WeakPolarHBondContact O-CD1 3.42Å; V10-L35 HydrophobicContact CG1-CD2 4.3Å; V10-L35 HydrophobicContact CG1-CG 4.32Å; V10-A36 HydrophobicContact CG1-CB 4.22Å
11F97.1Very high95.4Very high100 Ų10054.1 Ų54.144%0.43925%0.251SS..Hα-helixtrans-63-41.5171.7-82.4-62.8000112.3A7 R15 V132A7-F11 HydrophobicContact CB-CD2 4.44Å; A7-F11 HydrophobicContact CB-CE2 4.45Å; A7-F11 WeakPolarHBondContact O-CB 2.98Å; A7-F11 WeakPolarHBondContact O-CD2 3.42Å; A7-F11 PolarHBondContact O-N 3.16Å; F11-R15 WeakPolarHBondContact O-CG 3.44Å; F11-R15 PolarHBondContact O-N 3.48Å; F11-V132 HydrophobicContact CE2-CG1 3.91Å
12F98.1Very high96Very high29 Ų2954.5 Ų54.513%0.12725%0.247CC..Hα-helixtrans-63.5-50.3177.6177.2-103.3000111.5A8 V9 V10 K14 R15 L16 L95 C104 Y106 F113 V115A8-F12 VanDerWaalsContact O-CB 3.24Å; A8-F12 WeakPolarHBondContact O-CB 3.3Å; A8-F12 PolarHBondContact O-N 3.02Å; V9-F12 PolarHBondContact O-N 3.04Å; V10-F12 VanDerWaalsContact C-N 3.35Å; V10-F12 PolarHBondContact O-N 3.17Å; F12-K14 PolarHBondContact O-N 2.8Å; F12-R15 WeakPolarHBondContact O-CB 3.2Å; F12-R15 PolarHBondContact O-N 2.77Å; F12-L16 HydrophobicContact CD1-CD1 4.25Å; F12-L16 HydrophobicContact CE1-CD1 3.68Å; F12-L16 HydrophobicContact CE1-CG 4.46Å; F12-L16 HydrophobicContact CZ-CD1 4.01Å; F12-L16 PolarHBondContact O-N 3.35Å; F12-L95 HydrophobicContact CD1-CD1 4.27Å; F12-L95 HydrophobicContact CD1-CD2 3.99Å; F12-L95 HydrophobicContact CE1-CD1 4.42Å; F12-L95 HydrophobicContact CE1-CD2 3.85Å; F12-C104 HydrophobicContact CE1-CB 4.48Å; F12-C104 HydrophobicContact CZ-CB 4.29Å; F12-Y106 VanDerWaalsContact CZ-OH 3.23Å; F12-Y106 WeakPolarHBondContact CZ-OH 3.4Å; F12-F113 HydrophobicContact CE2-CE2 4.29Å; F12-F113 HydrophobicContact CE2-CZ 4.4Å; F12-F113 HydrophobicContact CZ-CE2 4.43Å; F12-F113 HydrophobicContact CZ-CZ 4.14Å; F12-V115 HydrophobicContact CB-CG1 3.87Å; F12-V115 HydrophobicContact CD2-CG1 3.9Å; F12-V115 HydrophobicContact CD2-CG2 4.26Å; F12-V115 HydrophobicContact CE2-CG2 4.27Å; F12-V115 HydrophobicContact CG-CG1 3.94Å; F12-V115 HydrophobicContact CG-CG2 4.45Å; F12-V115 HydrophobicContact CZ-CG2 4.46Å
13L98.3Very high96.1Very high1 Ų154.8 Ų54.81%0.00525%0.249CC..Hα-helixtrans-66.1-38.1179.1-71.5172.5000112.2V9 R15 L16 V17 I32 L35 L73 L89 L93 L95V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 WeakPolarHBondContact O-CG 3.46Å; V9-L13 PolarHBondContact O-N 2.65Å; L13-R15 VanDerWaalsContact C-N 3.26Å; L13-R15 PolarHBondContact O-N 3.02Å; L13-L16 HydrophobicContact CD2-CD1 4.32Å; L13-L16 PolarHBondContact O-N 2.99Å; L13-V17 WeakPolarHBondContact O-CG2 3.41Å; L13-V17 PolarHBondContact O-N 3.15Å; L13-I32 HydrophobicContact CB-CD1 4.43Å; L13-L35 HydrophobicContact CD1-CD2 3.47Å; L13-L35 VanDerWaalsContact CD1-CD2 3.47Å; L13-L73 HydrophobicContact CD1-CD2 3.86Å; L13-L89 HydrophobicContact CD2-CD2 4.03Å; L13-L93 HydrophobicContact CD2-CD2 4.15Å; L13-L95 HydrophobicContact CD1-CD1 4.24Å; L13-L95 HydrophobicContact CD2-CD1 3.98Å; L13-L95 HydrophobicContact CG-CD1 4.15Å
14K98Very high96.1Very high39 Ų3961.7 Ų61.717%0.1728%0.281CS..Hα-helixtrans-54.1-43.6173.8-177.5172.5177.2170.50111.8V10 F12 V17 K18 I28 E29 I32V10-K14 WeakPolarHBondContact O-CB 3.46Å; V10-K14 PolarHBondContact O-N 3.16Å; F12-K14 PolarHBondContact O-N 2.8Å; K14-V17 PolarHBondContact O-N 3.14Å; K14-K18 HydrophobicContact CG-CD 4.45Å; K14-K18 WeakPolarHBondContact O-CB 3.23Å; K14-K18 WeakPolarHBondContact O-CG 3.47Å; K14-K18 PolarHBondContact O-N 3.21Å; K14-I28 HydrophobicContact CG-CG2 4.05Å; K14-E29 WeakPolarHBondContact CE-OE1 3.23Å; K14-E29 WeakPolarHBondContact CE-OE2 3.32Å; K14-E29 IonicContact NZ-OE1 3.6Å; K14-E29 PolarHBondContact NZ-OE1 2.99Å; K14-E29 IonicContact NZ-OE2 3.79Å; K14-E29 PolarHBondContact NZ-OE2 3.48Å; K14-I32 HydrophobicContact CB-CD1 3.88Å; K14-I32 HydrophobicContact CB-CG1 3.88Å; K14-I32 HydrophobicContact CD-CG1 4.42Å; K14-I32 HydrophobicContact CG-CG1 4.23Å
15R97.2Very high96.2Very high187 Ų18760 Ų6071%0.70628%0.284SS*.Hα-helixtrans-64.5-40.4176.9-71.5175.9178.4163.21.1112F11 F12 L13 K19F11-R15 WeakPolarHBondContact O-CG 3.44Å; F11-R15 PolarHBondContact O-N 3.48Å; F12-R15 WeakPolarHBondContact O-CB 3.2Å; F12-R15 PolarHBondContact O-N 2.77Å; L13-R15 VanDerWaalsContact C-N 3.26Å; L13-R15 PolarHBondContact O-N 3.02Å; R15-K19 WeakPolarHBondContact O-CB 3.38Å; R15-K19 PolarHBondContact O-N 2.9Å; R15-K19 VanDerWaalsContact O-N 3.16Å
16L96.6Very high96.2Very high33 Ų3366 Ų6617%0.17332%0.316CS..Hα-helixtrans-65.7-45177-63.9-176.2000111.9F12 L13 K19 G20 L89F12-L16 HydrophobicContact CD1-CD1 4.25Å; F12-L16 HydrophobicContact CE1-CD1 3.68Å; F12-L16 HydrophobicContact CE1-CG 4.46Å; F12-L16 HydrophobicContact CZ-CD1 4.01Å; F12-L16 PolarHBondContact O-N 3.35Å; L13-L16 HydrophobicContact CD2-CD1 4.32Å; L13-L16 PolarHBondContact O-N 2.99Å; L16-K19 PolarHBondContact O-N 2.91Å; L16-G20 PolarHBondContact O-N 3.06Å; L16-L89 HydrophobicContact CB-CD2 3.94Å; L16-L89 HydrophobicContact CD1-CD2 4.17Å
17V97.4Very high96.2Very high2 Ų270 Ų701%0.01233%0.333CS..Hα-helixtrans-66.4-44.1179.7176.70000111L13 K14 K19 G20 L23 I28 F31 L87 L89L13-V17 WeakPolarHBondContact O-CG2 3.41Å; L13-V17 PolarHBondContact O-N 3.15Å; K14-V17 PolarHBondContact O-N 3.14Å; V17-K19 VanDerWaalsContact C-N 3.28Å; V17-K19 PolarHBondContact O-N 3.22Å; V17-G20 PolarHBondContact O-N 3.4Å; V17-L23 HydrophobicContact CG1-CD1 3.78Å; V17-I28 HydrophobicContact CG1-CD1 4.07Å; V17-I28 HydrophobicContact CG1-CG1 3.9Å; V17-I28 HydrophobicContact CG1-CG2 4.35Å; V17-F31 HydrophobicContact CG2-CE1 4.27Å; V17-L87 HydrophobicContact CG1-CD2 4.44Å; V17-L87 HydrophobicContact CG2-CB 4.31Å; V17-L87 HydrophobicContact CG2-CD2 4.07Å; V17-L89 HydrophobicContact CG2-CD2 4.33Å
18K96.1Very high96.2Very high88 Ų8870 Ų7038%0.38333%0.333SS..Hα-helixtrans-58.9-39.1175.9-79.3-168.6175.5-164.60112.4K14 G20 E21 I28 E29K14-K18 HydrophobicContact CG-CD 4.45Å; K14-K18 WeakPolarHBondContact O-CB 3.23Å; K14-K18 WeakPolarHBondContact O-CG 3.47Å; K14-K18 PolarHBondContact O-N 3.21Å; K18-G20 PolarHBondContact O-N 3.24Å; K18-E21 PolarHBondContact O-N 2.88Å; K18-E21 VanDerWaalsContact O-N 3.13Å; K18-I28 HydrophobicContact CG-CD1 3.68Å; K18-I28 HydrophobicContact CG-CG2 4.3Å; K18-E29 IonicContact NZ-OE1 3.69Å
19K94.1Very high96.2Very high176 Ų17672 Ų7277%0.76534%0.339SS*.Hα-helixtrans-63.6-22.4176.3-173.5177.8177.6-177.50113R15 L16 V17 E21R15-K19 WeakPolarHBondContact O-CB 3.38Å; R15-K19 PolarHBondContact O-N 2.9Å; R15-K19 VanDerWaalsContact O-N 3.16Å; L16-K19 PolarHBondContact O-N 2.91Å; V17-K19 VanDerWaalsContact C-N 3.28Å; V17-K19 PolarHBondContact O-N 3.22Å; K19-E21 VanDerWaalsContact C-N 3.26Å; K19-E21 PolarHBondContact O-N 3.26Å
20G89.3Confident96.2Very high28 Ų2874.6 Ų74.629%0.28935%0.353SS..THydrogen-bonded Turntrans-71.4-18.4175.800000114.1L16 V17 K18 K22L16-G20 PolarHBondContact O-N 3.06Å; V17-G20 PolarHBondContact O-N 3.4Å; K18-G20 PolarHBondContact O-N 3.24Å; G20-K22 WeakPolarHBondContact O-CG 3.31Å; G20-K22 PolarHBondContact O-N 2.99Å
21E90.4Very high96.3Very high178 Ų17874.4 Ų74.483%0.83235%0.351SS*.  trans5322.4176.9-62.5-178.8174.200115.4K18 K19K18-E21 PolarHBondContact O-N 2.88Å; K18-E21 VanDerWaalsContact O-N 3.13Å; K19-E21 VanDerWaalsContact C-N 3.26Å; K19-E21 PolarHBondContact O-N 3.26Å
22K94Very high96.3Very high130 Ų13070.3 Ų70.357%0.56533%0.334SS*.  trans-99.6-14-178.8-74.4-178-178.6-170.80115G20 D86G20-K22 WeakPolarHBondContact O-CG 3.31Å; G20-K22 PolarHBondContact O-N 2.99Å; K22-D86 HydrophobicContact CB-CB 4.38Å; K22-D86 HydrophobicContact CD-CB 4.47Å
23L96.2Very high96.3Very high34 Ų3472.3 Ų72.318%0.17834%0.344CS..SBendtrans-127.7141-169.1-64.5174.7000110.6V17 I28 I82 D86 L87V17-L23 HydrophobicContact CG1-CD1 3.78Å; L23-I28 HydrophobicContact CB-CD1 4.01Å; L23-I28 HydrophobicContact CB-CG1 3.72Å; L23-I28 HydrophobicContact CD1-CG1 4.45Å; L23-I82 HydrophobicContact CD1-CD1 3.93Å; L23-I82 HydrophobicContact CD1-CG1 4.23Å; L23-I82 HydrophobicContact CD1-CG2 3.64Å; L23-I82 HydrophobicContact CD2-CG1 4.1Å; L23-I82 HydrophobicContact CD2-CG2 4.02Å; L23-I82 HydrophobicContact CG-CG2 4.5Å; L23-D86 HydrophobicContact CD1-CB 4.4Å; L23-D86 HydrophobicContact CD2-CB 3.82Å; L23-D86 HydrophobicContact CG-CB 4.16Å; L23-L87 HydrophobicContact CD1-CD2 4.41Å
24E96.1Very high96.3Very high147 Ų14774.6 Ų74.669%0.68735%0.352SS*.  trans-66150.6173.5-64.7177.4172.700111.3D26 K27 I28E24-D26 VanDerWaalsContact C-N 3.3Å; E24-D26 PolarHBondContact O-N 3.48Å; E24-K27 PolarHBondContact O-N 3.35Å; E24-I28 WeakPolarHBondContact O-CG1 3.46Å; E24-I28 PolarHBondContact O-N 3.13Å
25S96.1Very high96.3Very high58 Ų5872.8 Ų72.841%0.40634%0.344SS..Hα-helixtrans-56.9-44.1-175.6-1680000112K27 I28 E29S25-K27 VanDerWaalsContact C-N 3.32Å; S25-K27 PolarHBondContact O-N 3.34Å; S25-I28 WeakPolarHBondContact O-CB 3.49Å; S25-I28 PolarHBondContact O-N 3.16Å; S25-I28 VanDerWaalsContact O-N 3.09Å; S25-E29 WeakPolarHBondContact O-CG 3.45Å; S25-E29 PolarHBondContact O-N 2.92Å
26D96.9Very high96.4Very high130 Ų13063.9 Ų63.970%0.69531%0.311SS*.Hα-helixtrans-64.7-37.2-177.2-62.2-7.9000112.2E24 E29 L30E24-D26 VanDerWaalsContact C-N 3.3Å; E24-D26 PolarHBondContact O-N 3.48Å; D26-E29 PolarHBondContact O-N 2.79Å; D26-L30 WeakPolarHBondContact O-CB 3.48Å; D26-L30 PolarHBondContact O-N 3.2Å
27K97.9Very high96.4Very high83 Ų8362.3 Ų62.336%0.36130%0.303SS..Hα-helixtrans-65.2-40173.1-72.1-63.2-168177.90111.8E24 S25 F31 S80 I82E24-K27 PolarHBondContact O-N 3.35Å; S25-K27 VanDerWaalsContact C-N 3.32Å; S25-K27 PolarHBondContact O-N 3.34Å; K27-F31 WeakPolarHBondContact O-CB 3.5Å; K27-F31 PolarHBondContact O-N 2.87Å; K27-S80 PolarHBondContact NZ-O 3.41Å; K27-S80 VanDerWaalsContact NZ-O 3.09Å; K27-I82 HydrophobicContact CB-CD1 3.92Å; K27-I82 HydrophobicContact CB-CG1 4.23Å; K27-I82 VanDerWaalsContact O-CD1 3.23Å; K27-I82 WeakPolarHBondContact O-CD1 3.31Å
28I98.1Very high96.5Very high5 Ų562.2 Ų62.23%0.02630%0.302CS..Hα-helixtrans-65.2-44175.5-62.1172.9000110.7K14 V17 K18 L23 E24 S25 F31 I32K14-I28 HydrophobicContact CG-CG2 4.05Å; V17-I28 HydrophobicContact CG1-CD1 4.07Å; V17-I28 HydrophobicContact CG1-CG1 3.9Å; V17-I28 HydrophobicContact CG1-CG2 4.35Å; K18-I28 HydrophobicContact CG-CD1 3.68Å; K18-I28 HydrophobicContact CG-CG2 4.3Å; L23-I28 HydrophobicContact CB-CD1 4.01Å; L23-I28 HydrophobicContact CB-CG1 3.72Å; L23-I28 HydrophobicContact CD1-CG1 4.45Å; E24-I28 WeakPolarHBondContact O-CG1 3.46Å; E24-I28 PolarHBondContact O-N 3.13Å; S25-I28 WeakPolarHBondContact O-CB 3.49Å; S25-I28 PolarHBondContact O-N 3.16Å; S25-I28 VanDerWaalsContact O-N 3.09Å; I28-F31 PolarHBondContact O-N 2.89Å; I28-I32 HydrophobicContact CG2-CG1 4.41Å; I28-I32 VanDerWaalsContact O-CG1 3.29Å; I28-I32 WeakPolarHBondContact O-CG1 3.33Å; I28-I32 PolarHBondContact O-N 2.84Å
29E97.5Very high96.6Very high60 Ų6058 Ų5828%0.2828%0.284SS..Hα-helixtrans-59.4-50.8176.9-62.4-53.3156.600110.6K14 K18 S25 D26 F31 I32 E33K14-E29 WeakPolarHBondContact CE-OE1 3.23Å; K14-E29 WeakPolarHBondContact CE-OE2 3.32Å; K14-E29 IonicContact NZ-OE1 3.6Å; K14-E29 PolarHBondContact NZ-OE1 2.99Å; K14-E29 IonicContact NZ-OE2 3.79Å; K14-E29 PolarHBondContact NZ-OE2 3.48Å; K18-E29 IonicContact NZ-OE1 3.69Å; S25-E29 WeakPolarHBondContact O-CG 3.45Å; S25-E29 PolarHBondContact O-N 2.92Å; D26-E29 PolarHBondContact O-N 2.79Å; E29-F31 VanDerWaalsContact C-N 3.32Å; E29-F31 PolarHBondContact O-N 2.87Å; E29-I32 PolarHBondContact O-N 2.85Å; E29-I32 VanDerWaalsContact O-N 3.1Å; E29-E33 WeakPolarHBondContact O-CG 3.37Å; E29-E33 PolarHBondContact O-N 3.12Å
30L97.9Very high96.8Very high53 Ų5351.8 Ų51.828%0.27726%0.257SS..Hα-helixtrans-58.4-42.8177.7-178.461.4000112D26 I32 E33 R34D26-L30 WeakPolarHBondContact O-CB 3.48Å; D26-L30 PolarHBondContact O-N 3.2Å; L30-I32 VanDerWaalsContact C-N 3.33Å; L30-I32 PolarHBondContact O-N 3.05Å; L30-E33 PolarHBondContact O-N 3.32Å; L30-R34 HydrophobicContact CD1-CG 4.34Å; L30-R34 HydrophobicContact CG-CG 4.48Å; L30-R34 VanDerWaalsContact O-CG 3.31Å; L30-R34 WeakPolarHBondContact O-CG 3.24Å; L30-R34 PolarHBondContact O-N 2.81Å
31F98.6Very high97.1Very high1 Ų153.4 Ų53.40%0.00426%0.257CS..Hα-helixtrans-58.1-44.4175.7166-100.3000112.5V17 K27 I28 E29 R34 L35 L73 A76 I82 L87V17-F31 HydrophobicContact CG2-CE1 4.27Å; K27-F31 WeakPolarHBondContact O-CB 3.5Å; K27-F31 PolarHBondContact O-N 2.87Å; I28-F31 PolarHBondContact O-N 2.89Å; E29-F31 VanDerWaalsContact C-N 3.32Å; E29-F31 PolarHBondContact O-N 2.87Å; F31-R34 PolarHBondContact O-N 3.25Å; F31-L35 HydrophobicContact CE1-CD2 4.37Å; F31-L35 HydrophobicContact CZ-CD2 4.3Å; F31-L35 WeakPolarHBondContact O-CB 3.37Å; F31-L35 PolarHBondContact O-N 3.25Å; F31-L73 HydrophobicContact CZ-CD2 4.05Å; F31-A76 HydrophobicContact CD2-CB 3.77Å; F31-A76 HydrophobicContact CE2-CB 3.63Å; F31-I82 HydrophobicContact CB-CD1 3.64Å; F31-I82 HydrophobicContact CG-CD1 4.34Å; F31-L87 HydrophobicContact CD1-CD2 4.31Å; F31-L87 HydrophobicContact CD2-CD2 4.1Å; F31-L87 HydrophobicContact CE1-CD2 3.97Å; F31-L87 HydrophobicContact CE2-CD1 4.15Å; F31-L87 HydrophobicContact CE2-CD2 3.74Å; F31-L87 HydrophobicContact CG-CD2 4.38Å; F31-L87 HydrophobicContact CZ-CD1 3.97Å; F31-L87 HydrophobicContact CZ-CD2 3.66Å; F31-L87 HydrophobicContact CZ-CG 4.49Å
32I98.2Very high97.5Very high14 Ų1446.4 Ų46.47%0.07222%0.224CC..Hα-helixtrans-66.2-39.6179.5-70.2-58000111.2V10 L13 K14 I28 E29 L30 L35 A36V10-I32 HydrophobicContact CB-CD1 4.23Å; V10-I32 HydrophobicContact CB-CG2 3.58Å; V10-I32 HydrophobicContact CG1-CG2 4.35Å; V10-I32 HydrophobicContact CG2-CG2 3.84Å; V10-I32 WeakPolarHBondContact O-CD1 3.42Å; L13-I32 HydrophobicContact CB-CD1 4.43Å; K14-I32 HydrophobicContact CB-CD1 3.88Å; K14-I32 HydrophobicContact CB-CG1 3.88Å; K14-I32 HydrophobicContact CD-CG1 4.42Å; K14-I32 HydrophobicContact CG-CG1 4.23Å; I28-I32 HydrophobicContact CG2-CG1 4.41Å; I28-I32 VanDerWaalsContact O-CG1 3.29Å; I28-I32 WeakPolarHBondContact O-CG1 3.33Å; I28-I32 PolarHBondContact O-N 2.84Å; E29-I32 PolarHBondContact O-N 2.85Å; E29-I32 VanDerWaalsContact O-N 3.1Å; L30-I32 VanDerWaalsContact C-N 3.33Å; L30-I32 PolarHBondContact O-N 3.05Å; I32-L35 PolarHBondContact O-N 3.49Å; I32-A36 PolarHBondContact O-N 3.28Å
33E97.5Very high97.7Very high71 Ų7140.2 Ų40.233%0.33220%0.197SC..Hα-helixtrans-60.4-49.7172.5-66.6176.4-179.600111.7E29 L30 L35 A36 V37 V139E29-E33 WeakPolarHBondContact O-CG 3.37Å; E29-E33 PolarHBondContact O-N 3.12Å; L30-E33 PolarHBondContact O-N 3.32Å; E33-L35 VanDerWaalsContact C-N 3.28Å; E33-L35 PolarHBondContact O-N 2.86Å; E33-A36 WeakPolarHBondContact O-CB 3.5Å; E33-A36 PolarHBondContact O-N 3.07Å; E33-V37 WeakPolarHBondContact O-CG2 3.45Å; E33-V37 PolarHBondContact O-N 2.85Å; E33-V37 VanDerWaalsContact O-N 3.15Å; E33-V139 HydrophobicContact CB-CG1 3.72Å; E33-V139 HydrophobicContact CG-CG1 3.74Å
34R98.4Very high97.6Very high50 Ų5046.5 Ų46.519%0.18922%0.223CC..Hα-helixtrans-62.5-36.5178.7-62.9-54.6119.2174.93.9112.2L30 F31 V37 A38 A76 E79L30-R34 HydrophobicContact CD1-CG 4.34Å; L30-R34 HydrophobicContact CG-CG 4.48Å; L30-R34 VanDerWaalsContact O-CG 3.31Å; L30-R34 WeakPolarHBondContact O-CG 3.24Å; L30-R34 PolarHBondContact O-N 2.81Å; F31-R34 PolarHBondContact O-N 3.25Å; R34-V37 PolarHBondContact O-N 2.81Å; R34-A38 WeakPolarHBondContact O-CB 3.41Å; R34-A38 PolarHBondContact O-N 2.91Å; R34-A76 HydrophobicContact CB-CB 4.05Å; R34-E79 HydrophobicContact CB-CB 4.18Å; R34-E79 WeakPolarHBondContact CD-OE2 2.85Å; R34-E79 HydrophobicContact CG-CB 3.69Å
35L98.7Very high97.7Very high0 Ų042.4 Ų42.40%022%0.221CC..Hα-helixtrans-66.3-41.7175.9-177.459000111.8V10 L13 F31 I32 E33 V37 A38 L39 D72 L73 A76V10-L35 HydrophobicContact CG1-CD2 4.3Å; V10-L35 HydrophobicContact CG1-CG 4.32Å; L13-L35 HydrophobicContact CD1-CD2 3.47Å; L13-L35 VanDerWaalsContact CD1-CD2 3.47Å; F31-L35 HydrophobicContact CE1-CD2 4.37Å; F31-L35 HydrophobicContact CZ-CD2 4.3Å; F31-L35 WeakPolarHBondContact O-CB 3.37Å; F31-L35 PolarHBondContact O-N 3.25Å; I32-L35 PolarHBondContact O-N 3.49Å; E33-L35 VanDerWaalsContact C-N 3.28Å; E33-L35 PolarHBondContact O-N 2.86Å; L35-V37 VanDerWaalsContact C-N 3.33Å; L35-V37 PolarHBondContact O-N 3.3Å; L35-A38 PolarHBondContact O-N 3.24Å; L35-L39 HydrophobicContact CD1-CD1 4.14Å; L35-L39 HydrophobicContact CD1-CD2 4.41Å; L35-L39 HydrophobicContact CD1-CG 4.01Å; L35-L39 HydrophobicContact CG-CD1 4.02Å; L35-L39 HydrophobicContact CG-CG 4.31Å; L35-L39 VanDerWaalsContact O-CG 3.29Å; L35-L39 WeakPolarHBondContact O-CG 3.43Å; L35-L39 PolarHBondContact O-N 3.18Å; L35-D72 HydrophobicContact CD1-CB 4.33Å; L35-L73 HydrophobicContact CD1-CD2 3.83Å; L35-L73 HydrophobicContact CD2-CD2 3.67Å; L35-L73 HydrophobicContact CG-CD2 4.42Å; L35-A76 HydrophobicContact CB-CB 3.83Å; L35-A76 HydrophobicContact CD1-CB 4.3Å
36A98.2Very high97.8Very high0 Ų043 Ų430%022%0.217CC..Hα-helixtrans-60-43.9176.900000112.1I6 V10 I32 E33 L39 Q40 L136 T140I6-A36 HydrophobicContact CG2-CB 4.04Å; V10-A36 HydrophobicContact CG1-CB 4.22Å; I32-A36 PolarHBondContact O-N 3.28Å; E33-A36 WeakPolarHBondContact O-CB 3.5Å; E33-A36 PolarHBondContact O-N 3.07Å; A36-L39 PolarHBondContact O-N 3.05Å; A36-Q40 WeakPolarHBondContact O-CB 3.39Å; A36-Q40 PolarHBondContact O-N 3.25Å; A36-L136 HydrophobicContact CB-CD1 3.56Å; A36-L136 HydrophobicContact CB-CD2 4.37Å; A36-L136 HydrophobicContact CB-CG 4.18Å; A36-T140 HydrophobicContact CB-CG2 4.4Å
37V97.9Very high97.8Very high1 Ų138.3 Ų38.31%0.00619%0.189CC..Hα-helixtrans-58.7-52.2174.2174.70000110.7E33 R34 L35 L39 Q40 E41 T140 Y143E33-V37 WeakPolarHBondContact O-CG2 3.45Å; E33-V37 PolarHBondContact O-N 2.85Å; E33-V37 VanDerWaalsContact O-N 3.15Å; R34-V37 PolarHBondContact O-N 2.81Å; L35-V37 VanDerWaalsContact C-N 3.33Å; L35-V37 PolarHBondContact O-N 3.3Å; V37-L39 VanDerWaalsContact C-N 3.32Å; V37-L39 PolarHBondContact O-N 3Å; V37-Q40 PolarHBondContact O-N 2.89Å; V37-E41 WeakPolarHBondContact CG1-OE1 3.24Å; V37-E41 WeakPolarHBondContact O-CG 3.44Å; V37-E41 PolarHBondContact O-N 2.95Å; V37-T140 HydrophobicContact CG2-CG2 3.97Å; V37-Y143 HydrophobicContact CG1-CD1 3.64Å; V37-Y143 HydrophobicContact CG1-CE1 4.14Å; V37-Y143 HydrophobicContact CG1-CG 4.22Å
38A98.3Very high97.8Very high0 Ų037.3 Ų37.30%018%0.184CC..Hα-helixtrans-58.3-42.7-178.800000112.6R34 L35 K42R34-A38 WeakPolarHBondContact O-CB 3.41Å; R34-A38 PolarHBondContact O-N 2.91Å; L35-A38 PolarHBondContact O-N 3.24Å; A38-K42 VanDerWaalsContact O-CB 3.26Å; A38-K42 WeakPolarHBondContact O-CB 3.5Å; A38-K42 PolarHBondContact O-N 3.4Å
39L98.4Very high97.6Very high0 Ų040.2 Ų40.20%020%0.203CC..Hα-helixtrans-69.7-40.5178.7-65.8177.6000112.5I6 V9 L35 A36 V37 K42 F43 I61 D72I6-L39 HydrophobicContact CD1-CB 4.22Å; I6-L39 HydrophobicContact CG1-CB 4.29Å; I6-L39 HydrophobicContact CG2-CB 4.38Å; I6-L39 HydrophobicContact CG2-CD1 4.41Å; V9-L39 HydrophobicContact CG1-CD1 3.91Å; L35-L39 HydrophobicContact CD1-CD1 4.14Å; L35-L39 HydrophobicContact CD1-CD2 4.41Å; L35-L39 HydrophobicContact CD1-CG 4.01Å; L35-L39 HydrophobicContact CG-CD1 4.02Å; L35-L39 HydrophobicContact CG-CG 4.31Å; L35-L39 VanDerWaalsContact O-CG 3.29Å; L35-L39 WeakPolarHBondContact O-CG 3.43Å; L35-L39 PolarHBondContact O-N 3.18Å; A36-L39 PolarHBondContact O-N 3.05Å; V37-L39 VanDerWaalsContact C-N 3.32Å; V37-L39 PolarHBondContact O-N 3Å; L39-K42 PolarHBondContact O-N 3Å; L39-F43 HydrophobicContact CB-CE2 4.17Å; L39-F43 HydrophobicContact CB-CZ 4.17Å; L39-F43 HydrophobicContact CD2-CE1 4.12Å; L39-F43 HydrophobicContact CD2-CZ 3.87Å; L39-F43 HydrophobicContact CG-CZ 4.46Å; L39-F43 WeakPolarHBondContact O-CB 3.37Å; L39-F43 WeakPolarHBondContact O-CD1 3.39Å; L39-F43 WeakPolarHBondContact O-CG 3.44Å; L39-F43 PolarHBondContact O-N 3.45Å; L39-I61 HydrophobicContact CD1-CD1 3.94Å; L39-I61 HydrophobicContact CD2-CD1 3.78Å; L39-I61 HydrophobicContact CD2-CG1 4.07Å; L39-D72 HydrophobicContact CD2-CB 4.17Å
40Q97.4Very high97.6Very high44 Ų4445.1 Ų45.121%0.20623%0.226CC..Hα-helixtrans-61.7-47.1177.4-174.8-168.966.100111M2 M3 I6 A36 V37 F43 K44 T140M2-Q40 HydrophobicContact SD-CG 4.44Å; M3-Q40 HydrophobicContact SD-CG 4.22Å; M3-Q40 PolarHBondContact SD-NE2 3.29Å; I6-Q40 HydrophobicContact CD1-CB 3.98Å; A36-Q40 WeakPolarHBondContact O-CB 3.39Å; A36-Q40 PolarHBondContact O-N 3.25Å; V37-Q40 PolarHBondContact O-N 2.89Å; Q40-F43 PolarHBondContact O-N 2.94Å; Q40-K44 PolarHBondContact O-N 3.14Å; Q40-T140 PolarHBondContact NE2-OG1 3.29Å; Q40-T140 VanDerWaalsContact OE1-CB 3.26Å; Q40-T140 PolarHBondContact OE1-OG1 3.39Å
41E96.8Very high97.5Very high62 Ų6245.5 Ų45.529%0.2923%0.233SC..Hα-helixtrans-60.3-47.7175.9-72.3176.1-173.500111.4V37 F43 K44 R75 H144V37-E41 WeakPolarHBondContact CG1-OE1 3.24Å; V37-E41 WeakPolarHBondContact O-CG 3.44Å; V37-E41 PolarHBondContact O-N 2.95Å; E41-F43 PolarHBondContact O-N 3.33Å; E41-K44 WeakPolarHBondContact O-CB 3.47Å; E41-K44 PolarHBondContact O-N 2.89Å; E41-R75 IonicContact OE1-NH2 2.77Å; E41-R75 PolarHBondContact OE1-NH2 3.44Å; E41-R75 IonicContact OE2-CZ 3.97Å; E41-R75 IonicContact OE2-NH1 2.8Å; E41-R75 PolarHBondContact OE2-NH1 3.29Å; E41-R75 IonicContact OE2-NH2 3.79Å; E41-R75 PolarHBondContact OE2-NH2 3.02Å; E41-H144 IonicContact OE1-CE1 3.68Å; E41-H144 PolarHBondContact OE1-CE1 3.47Å; E41-H144 IonicContact OE1-NE2 3.74Å
42K97.9Very high97.5Very high31 Ų3147.9 Ų47.914%0.13525%0.248CC..Hα-helixtrans-57.7-49.8178.3-178.5178.7178.8-170.90111A38 L39 K44 Y58 C60 D72A38-K42 VanDerWaalsContact O-CB 3.26Å; A38-K42 WeakPolarHBondContact O-CB 3.5Å; A38-K42 PolarHBondContact O-N 3.4Å; L39-K42 PolarHBondContact O-N 3Å; K42-K44 PolarHBondContact O-N 3.41Å; K42-Y58 WeakPolarHBondContact CE-O 3.34Å; K42-Y58 HydrophobicContact CG-CE1 3.71Å; K42-Y58 PolarHBondContact NZ-O 3.27Å; K42-Y58 WeakPolarHBondContact O-CE1 3.44Å; K42-Y58 PolarHBondContact O-OH 3.43Å; K42-C60 PolarHBondContact NZ-O 2.92Å; K42-D72 WeakPolarHBondContact CD-OD2 3.42Å; K42-D72 VanDerWaalsContact CE-OD2 3.31Å; K42-D72 WeakPolarHBondContact CE-OD2 3.49Å; K42-D72 IonicContact NZ-OD2 3.23Å; K42-D72 PolarHBondContact NZ-OD2 2.63Å
43F98.1Very high97.4Very high0 Ų051 Ų510%027%0.271CS..Hα-helixtrans-74.8-12.6-171.9-62.8-5.5000113.5M2 I6 L39 Q40 E41 G45 H46 W47 R59 V97M2-F43 HydrophobicContact CE-CB 4.02Å; M2-F43 HydrophobicContact SD-CB 3.5Å; M2-F43 VanDerWaalsContact SD-CB 3.5Å; M2-F43 HydrophobicContact SD-CD2 4.21Å; M2-F43 HydrophobicContact SD-CG 4.39Å; I6-F43 HydrophobicContact CD1-CD2 4.14Å; I6-F43 HydrophobicContact CD1-CE2 4.44Å; I6-F43 HydrophobicContact CG1-CD2 4.14Å; I6-F43 HydrophobicContact CG1-CE2 4.01Å; L39-F43 HydrophobicContact CB-CE2 4.17Å; L39-F43 HydrophobicContact CB-CZ 4.17Å; L39-F43 HydrophobicContact CD2-CE1 4.12Å; L39-F43 HydrophobicContact CD2-CZ 3.87Å; L39-F43 HydrophobicContact CG-CZ 4.46Å; L39-F43 WeakPolarHBondContact O-CB 3.37Å; L39-F43 WeakPolarHBondContact O-CD1 3.39Å; L39-F43 WeakPolarHBondContact O-CG 3.44Å; L39-F43 PolarHBondContact O-N 3.45Å; Q40-F43 PolarHBondContact O-N 2.94Å; E41-F43 PolarHBondContact O-N 3.33Å; F43-G45 PolarHBondContact O-N 3.41Å; F43-H46 CarbonylContact O-C 3.42Å; F43-H46 WeakPolarHBondContact O-CA 3.14Å; F43-H46 PolarHBondContact O-N 2.93Å; F43-W47 HydrophobicContact CB-CE3 4.25Å; F43-W47 HydrophobicContact CD2-CE3 4.09Å; F43-W47 AromaticContact CD2-CZ3 3.83Å; F43-W47 HydrophobicContact CD2-CZ3 3.83Å; F43-W47 HydrophobicContact CE2-CZ3 4.23Å; F43-W47 HydrophobicContact CG-CE3 4.36Å; F43-W47 HydrophobicContact CG-CZ3 4.47Å; F43-W47 PolarHBondContact O-N 2.92Å; F43-R59 HydrophobicContact CD1-CB 3.84Å; F43-R59 HydrophobicContact CD1-CG 3.53Å; F43-R59 HydrophobicContact CE1-CB 3.51Å; F43-R59 HydrophobicContact CE1-CG 3.78Å; F43-R59 WeakPolarHBondContact CE1-O 3.39Å; F43-R59 HydrophobicContact CG-CG 4.08Å; F43-R59 HydrophobicContact CZ-CB 3.99Å; F43-R59 HydrophobicContact CZ-CG 4.48Å; F43-V97 HydrophobicContact CE2-CB 3.91Å; F43-V97 HydrophobicContact CE2-CG1 3.57Å; F43-V97 HydrophobicContact CZ-CB 3.84Å; F43-V97 HydrophobicContact CZ-CG1 4.02Å; F43-V97 HydrophobicContact CZ-CG2 4.19Å
44K95.8Very high97.4Very high167 Ų16753.1 Ų53.173%0.72628%0.279SS*.THydrogen-bonded Turntrans-56.1129.9174.8-166.8174.6179.9177.20110.7Q40 E41 K42 H46Q40-K44 PolarHBondContact O-N 3.14Å; E41-K44 WeakPolarHBondContact O-CB 3.47Å; E41-K44 PolarHBondContact O-N 2.89Å; K42-K44 PolarHBondContact O-N 3.41Å; K44-H46 PolarHBondContact O-N 3.38Å; K44-H46 PolarHBondContact O-ND1 3.41Å; K44-H46 VanDerWaalsContact O-ND1 3.15Å
45G96.5Very high97.4Very high61 Ų6152 Ų5263%0.62928%0.284SS*.THydrogen-bonded Turntrans74.9-6.4-175.800000115.4F43 Y48F43-G45 PolarHBondContact O-N 3.41Å; G45-Y48 PolarHBondContact O-OH 3.33Å
46H97.9Very high97.4Very high69 Ų6955.8 Ų55.832%0.31930%0.301SS..  trans-123.429.7-177.1-62.887.8000112.2F43 K44 Y58 R59F43-H46 CarbonylContact O-C 3.42Å; F43-H46 WeakPolarHBondContact O-CA 3.14Å; F43-H46 PolarHBondContact O-N 2.93Å; K44-H46 PolarHBondContact O-N 3.38Å; K44-H46 PolarHBondContact O-ND1 3.41Å; K44-H46 VanDerWaalsContact O-ND1 3.15Å; H46-Y58 HydrophobicContact CB-CD1 3.75Å; H46-Y58 HydrophobicContact CB-CE1 3.81Å; H46-Y58 AromaticContact CD2-CD1 3.95Å; H46-Y58 AromaticContact CG-CD1 3.71Å; H46-Y58 AromaticContact CG-CE1 3.56Å; H46-Y58 AromaticContact ND1-CE1 3.63Å; H46-R59 WeakPolarHBondContact O-CD 3.38Å; H46-R59 PolarHBondContact O-NH1 3.32Å
47W97.9Very high97.4Very high33 Ų3359.8 Ų59.813%0.12534%0.335CS..  trans-119.7117.3179.1-163.4-99000110M2 E5 F43 V97 P99M2-W47 HydrophobicContact CB-CD2 3.64Å; M2-W47 VanDerWaalsContact CB-CE2 3.49Å; M2-W47 HydrophobicContact CB-CE3 3.97Å; M2-W47 HydrophobicContact CB-CG 4.17Å; M2-W47 HydrophobicContact CB-CH2 4.09Å; M2-W47 HydrophobicContact CB-CZ2 3.72Å; M2-W47 HydrophobicContact CB-CZ3 4.19Å; M2-W47 HydrophobicContact CE-CB 3.93Å; M2-W47 HydrophobicContact CE-CD2 4.49Å; M2-W47 HydrophobicContact CE-CG 4.11Å; E5-W47 HydrophobicContact CB-CH2 3.82Å; E5-W47 HydrophobicContact CB-CZ2 4.21Å; E5-W47 HydrophobicContact CG-CH2 3.76Å; E5-W47 HydrophobicContact CG-CZ2 3.8Å; F43-W47 HydrophobicContact CB-CE3 4.25Å; F43-W47 HydrophobicContact CD2-CE3 4.09Å; F43-W47 AromaticContact CD2-CZ3 3.83Å; F43-W47 HydrophobicContact CD2-CZ3 3.83Å; F43-W47 HydrophobicContact CE2-CZ3 4.23Å; F43-W47 HydrophobicContact CG-CE3 4.36Å; F43-W47 HydrophobicContact CG-CZ3 4.47Å; F43-W47 PolarHBondContact O-N 2.92Å; W47-V97 HydrophobicContact CH2-CG1 4.39Å; W47-V97 HydrophobicContact CZ3-CG1 4.45Å; W47-V97 WeakPolarHBondContact CZ3-O 3.49Å; W47-P99 HydrophobicContact CD2-CG 3.95Å; W47-P99 HydrophobicContact CG-CG 4.33Å; W47-P99 HydrophobicContact CH2-CG 4.37Å; W47-P99 VanDerWaalsContact CZ2-CA 3.45Å; W47-P99 HydrophobicContact CZ2-CB 4Å; W47-P99 HydrophobicContact CZ2-CG 3.83Å
48Y97.1Very high97.4Very high61 Ų6164.8 Ų64.824%0.23935%0.354CS..  trans-129.986.5-171.8-48.5-81.4000111G45 E50 S51 P52 K54G45-Y48 PolarHBondContact O-OH 3.33Å; Y48-E50 PolarHBondContact O-N 3Å; Y48-S51 CarbonylContact O-C 3.02Å; Y48-S51 PolarHBondContact O-N 3.14Å; Y48-P52 WeakPolarHBondContact O-CA 3.41Å; Y48-K54 HydrophobicContact CD1-CD 3.95Å; Y48-K54 HydrophobicContact CD2-CB 3.7Å; Y48-K54 HydrophobicContact CD2-CD 3.71Å; Y48-K54 HydrophobicContact CD2-CG 3.6Å; Y48-K54 VanDerWaalsContact CD2-O 3.28Å; Y48-K54 WeakPolarHBondContact CD2-O 3.33Å; Y48-K54 HydrophobicContact CE1-CD 4.11Å; Y48-K54 HydrophobicContact CE2-CB 4.27Å; Y48-K54 HydrophobicContact CE2-CD 3.84Å; Y48-K54 HydrophobicContact CE2-CG 3.68Å; Y48-K54 HydrophobicContact CG-CB 4.18Å; Y48-K54 HydrophobicContact CG-CD 3.76Å; Y48-K54 HydrophobicContact CG-CG 4.14Å
49P95.3Very high97.4Very high66 Ų6664.8 Ų64.843%0.42935%0.354SS..THydrogen-bonded Turntrans-55.6-35-178-26.836.4000114.6S51 P99P49-S51 PolarHBondContact O-N 3.27Å; P49-P99 HydrophobicContact CB-CB 4.38Å
50E95.9Very high97.4Very high164 Ų16465.6 Ų65.677%0.76636%0.359SS*.THydrogen-bonded Turntrans-77.8-12.6-179.8-56.671.6-155.100112.2Y48Y48-E50 PolarHBondContact O-N 3Å
51S97.3Very high97.5Very high61 Ų6163.6 Ų63.643%0.42735%0.35SS..SBendtrans-147.571.5178-64.50000110.1Y48 P49 S53 K54Y48-S51 CarbonylContact O-C 3.02Å; Y48-S51 PolarHBondContact O-N 3.14Å; P49-S51 PolarHBondContact O-N 3.27Å; S51-S53 VanDerWaalsContact C-N 3.25Å; S51-S53 PolarHBondContact O-N 3.11Å; S51-S53 VanDerWaalsContact O-N 3.12Å; S51-K54 WeakPolarHBondContact O-CB 3.44Å; S51-K54 PolarHBondContact O-N 3.04Å
52P97.1Very high97.6Very high50 Ų5064.7 Ų64.733%0.32535%0.351SS..THydrogen-bonded Turntrans-55.3-36.6-169.1-29.136.7000114.4Y48 K54 R59 D98 P99Y48-P52 WeakPolarHBondContact O-CA 3.41Å; P52-K54 PolarHBondContact O-N 3.2Å; P52-R59 PolarHBondContact O-NH2 3.45Å; P52-D98 HydrophobicContact CB-CB 4.39Å; P52-P99 HydrophobicContact CB-CB 4.26Å; P52-P99 HydrophobicContact CB-CG 4.24Å; P52-P99 HydrophobicContact CG-CB 4.29Å
53S97.2Very high97.6Very high79 Ų7963.5 Ų63.555%0.55235%0.347SS*.THydrogen-bonded Turntrans-67.6-20.4178.860.70000114.1S51 G55 Q56S51-S53 VanDerWaalsContact C-N 3.25Å; S51-S53 PolarHBondContact O-N 3.11Å; S51-S53 VanDerWaalsContact O-N 3.12Å; S53-G55 PolarHBondContact O-N 2.87Å; S53-Q56 WeakPolarHBondContact O-CB 3.44Å; S53-Q56 VanDerWaalsContact O-CG 3.29Å; S53-Q56 WeakPolarHBondContact O-CG 3.34Å; S53-Q56 PolarHBondContact O-N 3.13Å; S53-Q56 VanDerWaalsContact O-N 3.13Å
54K98.3Very high97.5Very high116 Ų11664.4 Ų64.450%0.50435%0.352SS..THydrogen-bonded Turntrans-64.1123.2175.7-173.8-180173.5-175.70108.7Y48 S51 P52 Q56 R59Y48-K54 HydrophobicContact CD1-CD 3.95Å; Y48-K54 HydrophobicContact CD2-CB 3.7Å; Y48-K54 HydrophobicContact CD2-CD 3.71Å; Y48-K54 HydrophobicContact CD2-CG 3.6Å; Y48-K54 VanDerWaalsContact CD2-O 3.28Å; Y48-K54 WeakPolarHBondContact CD2-O 3.33Å; Y48-K54 HydrophobicContact CE1-CD 4.11Å; Y48-K54 HydrophobicContact CE2-CB 4.27Å; Y48-K54 HydrophobicContact CE2-CD 3.84Å; Y48-K54 HydrophobicContact CE2-CG 3.68Å; Y48-K54 HydrophobicContact CG-CB 4.18Å; Y48-K54 HydrophobicContact CG-CD 3.76Å; Y48-K54 HydrophobicContact CG-CG 4.14Å; S51-K54 WeakPolarHBondContact O-CB 3.44Å; S51-K54 PolarHBondContact O-N 3.04Å; P52-K54 PolarHBondContact O-N 3.2Å; K54-Q56 VanDerWaalsContact C-N 3.29Å; K54-Q56 PolarHBondContact O-N 3.41Å; K54-R59 PolarHBondContact O-NH1 3.34Å
55G97.9Very high97.4Very high27 Ų2764.2 Ų64.228%0.27835%0.346SS..THydrogen-bonded Turntrans76.55.9-178.100000115.4S53 A57 Y58 R59S53-G55 PolarHBondContact O-N 2.87Å; G55-A57 VanDerWaalsContact C-N 3.28Å; G55-A57 PolarHBondContact O-N 2.95Å; G55-Y58 WeakPolarHBondContact O-CB 3.44Å; G55-Y58 PolarHBondContact O-N 2.95Å; G55-R59 PolarHBondContact O-N 3.1Å
56Q98.1Very high97.3Very high79 Ų7970.7 Ų70.737%0.36936%0.357SS..Hα-helixtrans-56-40.1-178.772.4-17413.100113.1S53 K54 Y58 R59 C60 D98S53-Q56 WeakPolarHBondContact O-CB 3.44Å; S53-Q56 VanDerWaalsContact O-CG 3.29Å; S53-Q56 WeakPolarHBondContact O-CG 3.34Å; S53-Q56 PolarHBondContact O-N 3.13Å; S53-Q56 VanDerWaalsContact O-N 3.13Å; K54-Q56 VanDerWaalsContact C-N 3.29Å; K54-Q56 PolarHBondContact O-N 3.41Å; Q56-Y58 VanDerWaalsContact C-N 3.28Å; Q56-Y58 PolarHBondContact O-N 3.3Å; Q56-R59 PolarHBondContact O-N 3.03Å; Q56-C60 WeakPolarHBondContact O-CB 3.44Å; Q56-C60 PolarHBondContact O-N 3.09Å; Q56-D98 WeakPolarHBondContact CB-OD1 3.49Å
57A97.8Very high97.1Very high85 Ų8571.4 Ų71.470%0.70236%0.363SS*.Hα-helixtrans-67.9-32.4-17900000111.8G55G55-A57 VanDerWaalsContact C-N 3.28Å; G55-A57 PolarHBondContact O-N 2.95Å
58Y98.6Very high97Very high106 Ų10675 Ų7542%0.41638%0.377SS..Hα-helixtrans-70.2-44.7174.9173.1-96.7000110.8K42 H46 G55 Q56 C60K42-Y58 WeakPolarHBondContact CE-O 3.34Å; K42-Y58 HydrophobicContact CG-CE1 3.71Å; K42-Y58 PolarHBondContact NZ-O 3.27Å; K42-Y58 WeakPolarHBondContact O-CE1 3.44Å; K42-Y58 PolarHBondContact O-OH 3.43Å; H46-Y58 HydrophobicContact CB-CD1 3.75Å; H46-Y58 HydrophobicContact CB-CE1 3.81Å; H46-Y58 AromaticContact CD2-CD1 3.95Å; H46-Y58 AromaticContact CG-CD1 3.71Å; H46-Y58 AromaticContact CG-CE1 3.56Å; H46-Y58 AromaticContact ND1-CE1 3.63Å; G55-Y58 WeakPolarHBondContact O-CB 3.44Å; G55-Y58 PolarHBondContact O-N 2.95Å; Q56-Y58 VanDerWaalsContact C-N 3.28Å; Q56-Y58 PolarHBondContact O-N 3.3Å; Y58-C60 VanDerWaalsContact C-N 3.29Å; Y58-C60 PolarHBondContact O-N 3.49Å
59R98.7Very high97Very high0 Ų076.3 Ų76.30%039%0.385CS..Hα-helixtrans-74.5-17.1-179.6-62-167.2-59.3-84-6.9114.4F43 H46 P52 K54 G55 Q56 V97 D98F43-R59 HydrophobicContact CD1-CB 3.84Å; F43-R59 HydrophobicContact CD1-CG 3.53Å; F43-R59 HydrophobicContact CE1-CB 3.51Å; F43-R59 HydrophobicContact CE1-CG 3.78Å; F43-R59 WeakPolarHBondContact CE1-O 3.39Å; F43-R59 HydrophobicContact CG-CG 4.08Å; F43-R59 HydrophobicContact CZ-CB 3.99Å; F43-R59 HydrophobicContact CZ-CG 4.48Å; H46-R59 WeakPolarHBondContact O-CD 3.38Å; H46-R59 PolarHBondContact O-NH1 3.32Å; P52-R59 PolarHBondContact O-NH2 3.45Å; K54-R59 PolarHBondContact O-NH1 3.34Å; G55-R59 PolarHBondContact O-N 3.1Å; Q56-R59 PolarHBondContact O-N 3.03Å; R59-V97 PolarHBondContact NE-O 2.95Å; R59-D98 IonicContact CZ-OD1 2.81Å; R59-D98 IonicContact NE-OD1 2.81Å; R59-D98 IonicContact NH2-OD1 3.17Å; R59-D98 PolarHBondContact NH2-OD1 3.2Å
60C98.4Very high97.1Very high16 Ų1673.4 Ų73.411%0.10837%0.366CS..  trans-55.6138.3179.9-176.10000112.1K42 Q56 Y58 T94 L95K42-C60 PolarHBondContact NZ-O 2.92Å; Q56-C60 WeakPolarHBondContact O-CB 3.44Å; Q56-C60 PolarHBondContact O-N 3.09Å; Y58-C60 VanDerWaalsContact C-N 3.29Å; Y58-C60 PolarHBondContact O-N 3.49Å; C60-T94 WeakPolarHBondContact SG-CG2 3.38Å; C60-L95 WeakPolarHBondContact CA-O 3.48Å; C60-L95 PolarHBondContact SG-O 3.3Å
61I98.7Very high97.2Very high2 Ų269.8 Ų69.81%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-103.9121.7168-57.9168000106.6V9 L39 D70 L73 T94 L95 V97V9-I61 HydrophobicContact CG1-CD1 3.74Å; L39-I61 HydrophobicContact CD1-CD1 3.94Å; L39-I61 HydrophobicContact CD2-CD1 3.78Å; L39-I61 HydrophobicContact CD2-CG1 4.07Å; I61-D70 WeakPolarHBondContact CA-OD2 3.47Å; I61-D70 HydrophobicContact CG2-CB 4.11Å; I61-L73 HydrophobicContact CG2-CD1 3.81Å; I61-L73 HydrophobicContact CG2-CD2 4.43Å; I61-L73 HydrophobicContact CG2-CG 3.96Å; I61-T94 WeakPolarHBondContact O-CA 3.5Å; I61-L95 HydrophobicContact CB-CB 4.22Å; I61-L95 PolarHBondContact N-O 3.44Å; I61-L95 PolarHBondContact O-N 3.41Å; I61-V97 HydrophobicContact CD1-CG2 4.46Å
62R98.4Very high97.3Very high85 Ų8567.8 Ų67.832%0.32134%0.342SS..EExtended strand (participates in β ladder)trans-140.5127.4-169.8-172.1176.9178.6124.6-3.5113.8N64 D70 T94 E108R62-N64 PolarHBondContact NE-ND2 3.39Å; R62-N64 PolarHBondContact NH2-ND2 2.63Å; R62-D70 PolarHBondContact N-OD2 3.3Å; R62-T94 HydrophobicContact CG-CG2 4.42Å; R62-E108 IonicContact CZ-OE1 2.63Å; R62-E108 IonicContact CZ-OE2 2.63Å; R62-E108 IonicContact NE-OE1 3.72Å; R62-E108 IonicContact NH1-OE2 3.58Å; R62-E108 IonicContact NH2-OE1 2.65Å; R62-E108 PolarHBondContact NH2-OE1 2.91Å; R62-E108 IonicContact NH2-OE2 2.62Å; R62-E108 PolarHBondContact NH2-OE2 3.12Å
63I97.9Very high97.4Very high7 Ų765.4 Ų65.44%0.03633%0.326CS..EExtended strand (participates in β ladder)trans-120.1127.4169.3-54.2172.5000107.3N67 D70 L73 Y84 L89 E92 L93I63-N67 WeakPolarHBondContact CA-O 3.37Å; I63-D70 HydrophobicContact CG1-CB 4.38Å; I63-L73 HydrophobicContact CD1-CD1 3.88Å; I63-L73 HydrophobicContact CG1-CD1 4.36Å; I63-Y84 HydrophobicContact CD1-CE1 4.49Å; I63-Y84 WeakPolarHBondContact CD1-OH 3.31Å; I63-L89 HydrophobicContact CD1-CB 4Å; I63-L89 HydrophobicContact CD1-CD1 3.62Å; I63-L89 HydrophobicContact CD1-CG 4.47Å; I63-E92 CarbonylContact O-C 3.49Å; I63-E92 VanDerWaalsContact O-CA 3.31Å; I63-E92 WeakPolarHBondContact O-CA 3.31Å; I63-L93 HydrophobicContact CB-CB 4.42Å; I63-L93 HydrophobicContact CD1-CD2 4.49Å; I63-L93 PolarHBondContact N-O 2.97Å; I63-L93 PolarHBondContact O-N 2.98Å
64N96.1Very high97.4Very high19 Ų1965.1 Ų65.110%0.10232%0.318CS..  trans-148.1-164.3174.973.112.3000112.8R62 F66 N67 R68 E108R62-N64 PolarHBondContact NE-ND2 3.39Å; R62-N64 PolarHBondContact NH2-ND2 2.63Å; N64-F66 VanDerWaalsContact C-N 3.32Å; N64-F66 PolarHBondContact O-N 3.4Å; N64-F66 PolarHBondContact OD1-N 3.06Å; N64-N67 PolarHBondContact N-O 2.87Å; N64-N67 CarbonylContact O-C 3.58Å; N64-N67 PolarHBondContact OD1-N 3.22Å; N64-R68 VanDerWaalsContact O-CD 3.27Å; N64-R68 WeakPolarHBondContact O-CD 3.37Å; N64-R68 PolarHBondContact O-NE 3.39Å; N64-R68 PolarHBondContact O-NH1 3.09Å; N64-E108 WeakPolarHBondContact CB-OE1 3.21Å; N64-E108 PolarHBondContact ND2-OE1 2.62Å
65R94.3Very high97.4Very high163 Ų16362.1 Ų62.162%0.61530%0.304SS*.SBendtrans-61.4-37-177.3-66.5-169.6-176.1-150.21.5115.6R68 E92R65-R68 VanDerWaalsContact O-CZ 3.29Å; R65-R68 PolarHBondContact O-NE 3.23Å; R65-R68 VanDerWaalsContact O-NE 3.16Å; R65-R68 PolarHBondContact O-NH2 3.13Å; R65-E92 WeakPolarHBondContact CD-OE1 3.48Å; R65-E92 HydrophobicContact CG-CG 4.47Å; R65-E92 WeakPolarHBondContact CG-OE1 3.48Å; R65-E92 IonicContact CZ-OE1 3.65Å; R65-E92 IonicContact NE-OE1 2.72Å; R65-E92 PolarHBondContact NE-OE1 3.24Å; R65-E92 IonicContact NH2-OE1 3.77Å
66F94.4Very high97.5Very high196 Ų19660.9 Ų60.986%0.8629%0.29SS*.SBendtrans-99.1-33.2-171.9-54.8-73.3000111.1N64N64-F66 VanDerWaalsContact C-N 3.32Å; N64-F66 PolarHBondContact O-N 3.4Å; N64-F66 PolarHBondContact OD1-N 3.06Å
67N93.7Very high97.5Very high84 Ų8457.2 Ų57.245%0.44927%0.273SS..  trans-115.891177.7-157.461.6000109.6I63 N64 Q69I63-N67 WeakPolarHBondContact CA-O 3.37Å; N64-N67 PolarHBondContact N-O 2.87Å; N64-N67 CarbonylContact O-C 3.58Å; N64-N67 PolarHBondContact OD1-N 3.22Å; N67-Q69 VanDerWaalsContact C-N 3.31Å; N67-Q69 PolarHBondContact ND2-O 2.67Å
68R95.3Very high97.5Very high108 Ų10862 Ų6241%0.40827%0.274SS..  trans-80.1-13.1-173.6-65.8-69.1-179.9-159.85.7114.1N64 R65 Y84 R91N64-R68 VanDerWaalsContact O-CD 3.27Å; N64-R68 WeakPolarHBondContact O-CD 3.37Å; N64-R68 PolarHBondContact O-NE 3.39Å; N64-R68 PolarHBondContact O-NH1 3.09Å; R65-R68 VanDerWaalsContact O-CZ 3.29Å; R65-R68 PolarHBondContact O-NE 3.23Å; R65-R68 VanDerWaalsContact O-NE 3.16Å; R65-R68 PolarHBondContact O-NH2 3.13Å; R68-Y84 WeakPolarHBondContact O-CE1 3.38Å; R68-R91 PolarHBondContact NH1-O 3.38Å; R68-R91 VanDerWaalsContact NH1-O 3.16Å
69Q97.3Very high97.5Very high89 Ų8959.5 Ų59.542%0.41627%0.266SS..SBendtrans-132.6117.9-179-62.6-176.3-28.300108.8N67 Y84N67-Q69 VanDerWaalsContact C-N 3.31Å; N67-Q69 PolarHBondContact ND2-O 2.67Å; Q69-Y84 HydrophobicContact CB-CD2 4.29Å; Q69-Y84 HydrophobicContact CB-CE1 4.23Å; Q69-Y84 HydrophobicContact CB-CE2 3.98Å; Q69-Y84 HydrophobicContact CG-CD1 3.74Å; Q69-Y84 HydrophobicContact CG-CD2 4.12Å; Q69-Y84 HydrophobicContact CG-CE1 3.84Å; Q69-Y84 HydrophobicContact CG-CE2 4.19Å; Q69-Y84 HydrophobicContact CG-CG 3.89Å
70D98.4Very high97.5Very high6 Ų659.6 Ų59.63%0.03227%0.266CS..  trans-70.8133.1167.1-177.2-88.4000109.7I61 R62 I63 D72 L73 L74 Y84I61-D70 WeakPolarHBondContact CA-OD2 3.47Å; I61-D70 HydrophobicContact CG2-CB 4.11Å; R62-D70 PolarHBondContact N-OD2 3.3Å; I63-D70 HydrophobicContact CG1-CB 4.38Å; D70-D72 VanDerWaalsContact C-N 3.31Å; D70-D72 PolarHBondContact O-N 3.42Å; D70-D72 WeakPolarHBondContact OD1-CB 3.09Å; D70-D72 PolarHBondContact OD1-N 2.95Å; D70-L73 HydrophobicContact CB-CB 4.11Å; D70-L73 HydrophobicContact CB-CD1 3.85Å; D70-L73 HydrophobicContact CB-CG 3.95Å; D70-L73 PolarHBondContact O-N 3.3Å; D70-L73 PolarHBondContact OD1-N 2.9Å; D70-L74 WeakPolarHBondContact O-CB 3.23Å; D70-L74 PolarHBondContact O-N 3.42Å; D70-Y84 PolarHBondContact N-OH 3.4Å
71P98.3Very high97.4Very high87 Ų8761.7 Ų61.757%0.56529%0.29SS*.Hα-helixtrans-59.5-35.5-177-26.135000114.6L74 R75P71-L74 PolarHBondContact O-N 3.5Å; P71-R75 WeakPolarHBondContact O-CB 3.29Å; P71-R75 PolarHBondContact O-N 3.07Å
72D98.4Very high97.4Very high20 Ų2062.2 Ų62.211%0.10729%0.293CS..Hα-helixtrans-75.6-41.2-177.4-56.5-53.9000110.6L35 L39 K42 D70 L74 R75 A76L35-D72 HydrophobicContact CD1-CB 4.33Å; L39-D72 HydrophobicContact CD2-CB 4.17Å; K42-D72 WeakPolarHBondContact CD-OD2 3.42Å; K42-D72 VanDerWaalsContact CE-OD2 3.31Å; K42-D72 WeakPolarHBondContact CE-OD2 3.49Å; K42-D72 IonicContact NZ-OD2 3.23Å; K42-D72 PolarHBondContact NZ-OD2 2.63Å; D70-D72 VanDerWaalsContact C-N 3.31Å; D70-D72 PolarHBondContact O-N 3.42Å; D70-D72 WeakPolarHBondContact OD1-CB 3.09Å; D70-D72 PolarHBondContact OD1-N 2.95Å; D72-L74 VanDerWaalsContact C-N 3.29Å; D72-L74 PolarHBondContact O-N 2.96Å; D72-R75 PolarHBondContact O-N 2.99Å; D72-A76 WeakPolarHBondContact O-CB 3.29Å; D72-A76 PolarHBondContact O-N 3.01Å
73L98.7Very high97.4Very high0 Ų065.2 Ų65.20%031%0.309CS..Hα-helixtrans-61.4-40170.9-63.1-179.5000111.2L13 F31 L35 I61 I63 D70 A76 C77 Y84 L89L13-L73 HydrophobicContact CD1-CD2 3.86Å; F31-L73 HydrophobicContact CZ-CD2 4.05Å; L35-L73 HydrophobicContact CD1-CD2 3.83Å; L35-L73 HydrophobicContact CD2-CD2 3.67Å; L35-L73 HydrophobicContact CG-CD2 4.42Å; I61-L73 HydrophobicContact CG2-CD1 3.81Å; I61-L73 HydrophobicContact CG2-CD2 4.43Å; I61-L73 HydrophobicContact CG2-CG 3.96Å; I63-L73 HydrophobicContact CD1-CD1 3.88Å; I63-L73 HydrophobicContact CG1-CD1 4.36Å; D70-L73 HydrophobicContact CB-CB 4.11Å; D70-L73 HydrophobicContact CB-CD1 3.85Å; D70-L73 HydrophobicContact CB-CG 3.95Å; D70-L73 PolarHBondContact O-N 3.3Å; D70-L73 PolarHBondContact OD1-N 2.9Å; L73-A76 PolarHBondContact O-N 3.37Å; L73-C77 WeakPolarHBondContact O-CB 3.46Å; L73-C77 PolarHBondContact O-N 3.06Å; L73-C77 PolarHBondContact O-SG 3.08Å; L73-C77 VanDerWaalsContact O-SG 3.41Å; L73-Y84 HydrophobicContact CB-CE2 3.59Å; L73-Y84 WeakPolarHBondContact CD1-OH 3.09Å; L73-L89 HydrophobicContact CD1-CD1 3.66Å
74L98.6Very high97.4Very high72 Ų7266.2 Ų66.238%0.37731%0.312SS..Hα-helixtrans-66.7-41.7178.7-17862.8000111.9D70 P71 D72 C77 R78 Y84D70-L74 WeakPolarHBondContact O-CB 3.23Å; D70-L74 PolarHBondContact O-N 3.42Å; P71-L74 PolarHBondContact O-N 3.5Å; D72-L74 VanDerWaalsContact C-N 3.29Å; D72-L74 PolarHBondContact O-N 2.96Å; L74-C77 WeakPolarHBondContact O-CB 3.45Å; L74-C77 PolarHBondContact O-N 2.99Å; L74-R78 PolarHBondContact O-N 3.07Å; L74-Y84 HydrophobicContact CB-CD2 4.09Å; L74-Y84 HydrophobicContact CB-CE2 4.15Å; L74-Y84 HydrophobicContact CD1-CD2 3.92Å
75R98.5Very high97.4Very high54 Ų5469.1 Ų69.120%0.20433%0.334CS..Hα-helixtrans-58.6-50.7172.9175.7-179169-170.4-2.7110.9E41 P71 D72 C77 R78 E79E41-R75 IonicContact OE1-NH2 2.77Å; E41-R75 PolarHBondContact OE1-NH2 3.44Å; E41-R75 IonicContact OE2-CZ 3.97Å; E41-R75 IonicContact OE2-NH1 2.8Å; E41-R75 PolarHBondContact OE2-NH1 3.29Å; E41-R75 IonicContact OE2-NH2 3.79Å; E41-R75 PolarHBondContact OE2-NH2 3.02Å; P71-R75 WeakPolarHBondContact O-CB 3.29Å; P71-R75 PolarHBondContact O-N 3.07Å; D72-R75 PolarHBondContact O-N 2.99Å; R75-C77 VanDerWaalsContact C-N 3.31Å; R75-C77 PolarHBondContact O-N 3Å; R75-R78 PolarHBondContact O-N 3.27Å; R75-R78 VanDerWaalsContact O-N 3.14Å; R75-E79 WeakPolarHBondContact CG-OE1 3.36Å; R75-E79 IonicContact CZ-OE1 3.73Å; R75-E79 IonicContact NE-OE1 2.86Å; R75-E79 PolarHBondContact NE-OE1 3.45Å; R75-E79 IonicContact NH2-OE1 2.69Å; R75-E79 WeakPolarHBondContact O-CG 3.03Å; R75-E79 PolarHBondContact O-N 2.96Å
76A98.6Very high97.5Very high0 Ų063.3 Ų63.30%032%0.315CS..Hα-helixtrans-60.9-39.3179.500000112.4F31 R34 L35 D72 L73 S80F31-A76 HydrophobicContact CD2-CB 3.77Å; F31-A76 HydrophobicContact CE2-CB 3.63Å; R34-A76 HydrophobicContact CB-CB 4.05Å; L35-A76 HydrophobicContact CB-CB 3.83Å; L35-A76 HydrophobicContact CD1-CB 4.3Å; D72-A76 WeakPolarHBondContact O-CB 3.29Å; D72-A76 PolarHBondContact O-N 3.01Å; L73-A76 PolarHBondContact O-N 3.37Å; A76-S80 WeakPolarHBondContact O-CB 3.29Å; A76-S80 PolarHBondContact O-N 3.48Å; A76-S80 PolarHBondContact O-OG 2.66Å
77C98.6Very high97.7Very high2 Ų254 Ų541%0.01427%0.274CS..Hα-helixtrans-58.3-49.6171.9-83.50000112.4L73 L74 R75 E79 S80 G81 I82 L87L73-C77 WeakPolarHBondContact O-CB 3.46Å; L73-C77 PolarHBondContact O-N 3.06Å; L73-C77 PolarHBondContact O-SG 3.08Å; L73-C77 VanDerWaalsContact O-SG 3.41Å; L74-C77 WeakPolarHBondContact O-CB 3.45Å; L74-C77 PolarHBondContact O-N 2.99Å; R75-C77 VanDerWaalsContact C-N 3.31Å; R75-C77 PolarHBondContact O-N 3Å; C77-E79 VanDerWaalsContact C-N 3.35Å; C77-E79 PolarHBondContact O-N 3.42Å; C77-S80 PolarHBondContact O-N 2.89Å; C77-S80 PolarHBondContact O-OG 2.98Å; C77-S80 VanDerWaalsContact O-OG 3.11Å; C77-G81 PolarHBondContact O-N 3.18Å; C77-I82 CarbonylContact C-O 3.51Å; C77-I82 VanDerWaalsContact CB-O 3.31Å; C77-I82 WeakPolarHBondContact CB-O 3.39Å; C77-I82 PolarHBondContact O-N 3.36Å; C77-L87 VanDerWaalsContact SG-CD1 3.54Å
78R98.4Very high97.8Very high187 Ų18752 Ų5271%0.70627%0.273SS*.Hα-helixtrans-60.3-45.7-179.6-177.4-179.263.9-155.1-1.8111.6L74 R75 S80 G81L74-R78 PolarHBondContact O-N 3.07Å; R75-R78 PolarHBondContact O-N 3.27Å; R75-R78 VanDerWaalsContact O-N 3.14Å; R78-S80 VanDerWaalsContact C-N 3.29Å; R78-S80 PolarHBondContact O-N 3.28Å; R78-G81 PolarHBondContact O-N 2.99Å
79E98.1Very high97.8Very high53 Ų5348.2 Ų48.225%0.24826%0.261CS..Hα-helixtrans-71-22.8-178.6-68.3175.4-163.900113.3R34 R75 C77R34-E79 HydrophobicContact CB-CB 4.18Å; R34-E79 WeakPolarHBondContact CD-OE2 2.85Å; R34-E79 HydrophobicContact CG-CB 3.69Å; R75-E79 WeakPolarHBondContact CG-OE1 3.36Å; R75-E79 IonicContact CZ-OE1 3.73Å; R75-E79 IonicContact NE-OE1 2.86Å; R75-E79 PolarHBondContact NE-OE1 3.45Å; R75-E79 IonicContact NH2-OE1 2.69Å; R75-E79 WeakPolarHBondContact O-CG 3.03Å; R75-E79 PolarHBondContact O-N 2.96Å; C77-E79 VanDerWaalsContact C-N 3.35Å; C77-E79 PolarHBondContact O-N 3.42Å
80S98Very high97.7Very high2 Ų246 Ų461%0.01425%0.254CS..Hα-helixtrans-94.8-6.5175.654.80000114.1K27 A76 C77 R78 I82K27-S80 PolarHBondContact NZ-O 3.41Å; K27-S80 VanDerWaalsContact NZ-O 3.09Å; A76-S80 WeakPolarHBondContact O-CB 3.29Å; A76-S80 PolarHBondContact O-N 3.48Å; A76-S80 PolarHBondContact O-OG 2.66Å; C77-S80 PolarHBondContact O-N 2.89Å; C77-S80 PolarHBondContact O-OG 2.98Å; C77-S80 VanDerWaalsContact O-OG 3.11Å; R78-S80 VanDerWaalsContact C-N 3.29Å; R78-S80 PolarHBondContact O-N 3.28Å; S80-I82 VanDerWaalsContact C-N 3.33Å
81G97.7Very high97.5Very high60 Ų6055.2 Ų55.262%0.61929%0.288SS*.THydrogen-bonded Turntrans68.730.2-174.900000113.4C77 R78C77-G81 PolarHBondContact O-N 3.18Å; R78-G81 PolarHBondContact O-N 2.99Å
82I98Very high97.5Very high13 Ų1352.8 Ų52.87%0.06727%0.27CS..  trans-102.3137.7177.9-72.2166000109.6L23 K27 F31 C77 S80 L87L23-I82 HydrophobicContact CD1-CD1 3.93Å; L23-I82 HydrophobicContact CD1-CG1 4.23Å; L23-I82 HydrophobicContact CD1-CG2 3.64Å; L23-I82 HydrophobicContact CD2-CG1 4.1Å; L23-I82 HydrophobicContact CD2-CG2 4.02Å; L23-I82 HydrophobicContact CG-CG2 4.5Å; K27-I82 HydrophobicContact CB-CD1 3.92Å; K27-I82 HydrophobicContact CB-CG1 4.23Å; K27-I82 VanDerWaalsContact O-CD1 3.23Å; K27-I82 WeakPolarHBondContact O-CD1 3.31Å; F31-I82 HydrophobicContact CB-CD1 3.64Å; F31-I82 HydrophobicContact CG-CD1 4.34Å; C77-I82 CarbonylContact C-O 3.51Å; C77-I82 VanDerWaalsContact CB-O 3.31Å; C77-I82 WeakPolarHBondContact CB-O 3.39Å; C77-I82 PolarHBondContact O-N 3.36Å; S80-I82 VanDerWaalsContact C-N 3.33Å; I82-L87 HydrophobicContact CG2-CD2 4.04Å
83K97.8Very high97.5Very high148 Ų14851.9 Ų51.964%0.64327%0.265SS*.  trans-75136168.8-60174.7-1791710109.2S85 D86K83-S85 PolarHBondContact O-N 2.89Å; K83-S85 VanDerWaalsContact O-N 3.12Å; K83-D86 WeakPolarHBondContact CB-OD2 3.19Å; K83-D86 WeakPolarHBondContact O-CB 3.44Å; K83-D86 PolarHBondContact O-N 3.15Å
84Y97.7Very high97.5Very high28 Ų2852 Ų5211%0.1127%0.265CS..G310 helixtrans-54.8-36.1179.8-162.3-79.9000113.3I63 R68 Q69 D70 L73 L74 D86 L87I63-Y84 HydrophobicContact CD1-CE1 4.49Å; I63-Y84 WeakPolarHBondContact CD1-OH 3.31Å; R68-Y84 WeakPolarHBondContact O-CE1 3.38Å; Q69-Y84 HydrophobicContact CB-CD2 4.29Å; Q69-Y84 HydrophobicContact CB-CE1 4.23Å; Q69-Y84 HydrophobicContact CB-CE2 3.98Å; Q69-Y84 HydrophobicContact CG-CD1 3.74Å; Q69-Y84 HydrophobicContact CG-CD2 4.12Å; Q69-Y84 HydrophobicContact CG-CE1 3.84Å; Q69-Y84 HydrophobicContact CG-CE2 4.19Å; Q69-Y84 HydrophobicContact CG-CG 3.89Å; D70-Y84 PolarHBondContact N-OH 3.4Å; L73-Y84 HydrophobicContact CB-CE2 3.59Å; L73-Y84 WeakPolarHBondContact CD1-OH 3.09Å; L74-Y84 HydrophobicContact CB-CD2 4.09Å; L74-Y84 HydrophobicContact CB-CE2 4.15Å; L74-Y84 HydrophobicContact CD1-CD2 3.92Å; Y84-D86 PolarHBondContact O-N 3.36Å; Y84-L87 HydrophobicContact CD2-CD1 4.27Å; Y84-L87 HydrophobicContact CE2-CD1 4.26Å; Y84-L87 HydrophobicContact CG-CD1 4.42Å; Y84-L87 WeakPolarHBondContact O-CB 3.45Å; Y84-L87 WeakPolarHBondContact O-CG 3.34Å; Y84-L87 PolarHBondContact O-N 2.95Å
85S96.1Very high97.5Very high79 Ų7948.5 Ų48.555%0.55225%0.247SC*.G310 helixtrans-60.8-23.5176.9530000114.1K83K83-S85 PolarHBondContact O-N 2.89Å; K83-S85 VanDerWaalsContact O-N 3.12Å
86D97.3Very high97.5Very high42 Ų4247.9 Ų47.923%0.22525%0.245CC..G310 helixtrans-88.2-11.3-174.7-58.1-15.9000111.4K22 L23 K83 Y84 G88K22-D86 HydrophobicContact CB-CB 4.38Å; K22-D86 HydrophobicContact CD-CB 4.47Å; L23-D86 HydrophobicContact CD1-CB 4.4Å; L23-D86 HydrophobicContact CD2-CB 3.82Å; L23-D86 HydrophobicContact CG-CB 4.16Å; K83-D86 WeakPolarHBondContact CB-OD2 3.19Å; K83-D86 WeakPolarHBondContact O-CB 3.44Å; K83-D86 PolarHBondContact O-N 3.15Å; Y84-D86 PolarHBondContact O-N 3.36Å; D86-G88 PolarHBondContact O-N 3.31Å
87L97.5Very high97.5Very high0 Ų047.9 Ų47.90%025%0.245CC..G310 helixtrans-62.2-23.3171.9-62.8-177000112.9V17 L23 F31 C77 I82 Y84 L89V17-L87 HydrophobicContact CG1-CD2 4.44Å; V17-L87 HydrophobicContact CG2-CB 4.31Å; V17-L87 HydrophobicContact CG2-CD2 4.07Å; L23-L87 HydrophobicContact CD1-CD2 4.41Å; F31-L87 HydrophobicContact CD1-CD2 4.31Å; F31-L87 HydrophobicContact CD2-CD2 4.1Å; F31-L87 HydrophobicContact CE1-CD2 3.97Å; F31-L87 HydrophobicContact CE2-CD1 4.15Å; F31-L87 HydrophobicContact CE2-CD2 3.74Å; F31-L87 HydrophobicContact CG-CD2 4.38Å; F31-L87 HydrophobicContact CZ-CD1 3.97Å; F31-L87 HydrophobicContact CZ-CD2 3.66Å; F31-L87 HydrophobicContact CZ-CG 4.49Å; C77-L87 VanDerWaalsContact SG-CD1 3.54Å; I82-L87 HydrophobicContact CG2-CD2 4.04Å; Y84-L87 HydrophobicContact CD2-CD1 4.27Å; Y84-L87 HydrophobicContact CE2-CD1 4.26Å; Y84-L87 HydrophobicContact CG-CD1 4.42Å; Y84-L87 WeakPolarHBondContact O-CB 3.45Å; Y84-L87 WeakPolarHBondContact O-CG 3.34Å; Y84-L87 PolarHBondContact O-N 2.95Å; L87-L89 HydrophobicContact CB-CD1 4.25Å; L87-L89 HydrophobicContact CB-CG 3.91Å; L87-L89 HydrophobicContact CD1-CD1 3.92Å; L87-L89 HydrophobicContact CD1-CG 4.48Å; L87-L89 PolarHBondContact O-N 3.02Å; L87-L89 VanDerWaalsContact O-N 3.14Å
88G95.8Very high97.5Very high41 Ų4148.6 Ų48.642%0.42325%0.248SC..  trans62.921.2178.100000114.7D86D86-G88 PolarHBondContact O-N 3.31Å
89L96.1Very high97.4Very high29 Ų2940.4 Ų40.415%0.15222%0.22CC..  trans-69.3152.5-178.4-62.3177.4000112L13 L16 V17 I63 L73 L87L13-L89 HydrophobicContact CD2-CD2 4.03Å; L16-L89 HydrophobicContact CB-CD2 3.94Å; L16-L89 HydrophobicContact CD1-CD2 4.17Å; V17-L89 HydrophobicContact CG2-CD2 4.33Å; I63-L89 HydrophobicContact CD1-CB 4Å; I63-L89 HydrophobicContact CD1-CD1 3.62Å; I63-L89 HydrophobicContact CD1-CG 4.47Å; L73-L89 HydrophobicContact CD1-CD1 3.66Å; L87-L89 HydrophobicContact CB-CD1 4.25Å; L87-L89 HydrophobicContact CB-CG 3.91Å; L87-L89 HydrophobicContact CD1-CD1 3.92Å; L87-L89 HydrophobicContact CD1-CG 4.48Å; L87-L89 PolarHBondContact O-N 3.02Å; L87-L89 VanDerWaalsContact O-N 3.14Å
90P95.3Very high97.3Very high44 Ų4439.2 Ų39.229%0.28622%0.222SC..  trans-57.6147.5174-27.238.1000112.8E92 Y106P90-E92 PolarHBondContact O-N 2.91Å; P90-E92 VanDerWaalsContact O-N 3.15Å; P90-Y106 HydrophobicContact CB-CD1 4.12Å; P90-Y106 HydrophobicContact CB-CE1 4.44Å; P90-Y106 HydrophobicContact CG-CD1 3.84Å; P90-Y106 HydrophobicContact CG-CE1 3.68Å
91R94.6Very high97.2Very high198 Ų19843.4 Ų43.475%0.74724%0.241SC*.SBendtrans-60.8-24.1179.2-74.4-174.2169.8-146.5-2.7114.3R68R68-R91 PolarHBondContact NH1-O 3.38Å; R68-R91 VanDerWaalsContact NH1-O 3.16Å
92E97.8Very high97.2Very high36 Ų3640.5 Ų40.517%0.16821%0.212CC..SBendtrans-136107.1177-70.1177.8-170.700108.4I63 R65 P90 Y106 G107 E108I63-E92 CarbonylContact O-C 3.49Å; I63-E92 VanDerWaalsContact O-CA 3.31Å; I63-E92 WeakPolarHBondContact O-CA 3.31Å; R65-E92 WeakPolarHBondContact CD-OE1 3.48Å; R65-E92 HydrophobicContact CG-CG 4.47Å; R65-E92 WeakPolarHBondContact CG-OE1 3.48Å; R65-E92 IonicContact CZ-OE1 3.65Å; R65-E92 IonicContact NE-OE1 2.72Å; R65-E92 PolarHBondContact NE-OE1 3.24Å; R65-E92 IonicContact NH2-OE1 3.77Å; P90-E92 PolarHBondContact O-N 2.91Å; P90-E92 VanDerWaalsContact O-N 3.15Å; E92-Y106 WeakPolarHBondContact O-CA 3.48Å; E92-G107 PolarHBondContact O-N 3.17Å; E92-G107 WeakPolarHBondContact OE2-CA 3.29Å; E92-E108 PolarHBondContact OE2-N 3.28Å
93L98.1Very high97.2Very high1 Ų140.8 Ų40.81%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-139.4130.7-179.4172.364.4000108L13 I63 L95 C104 R105 Y106L13-L93 HydrophobicContact CD2-CD2 4.15Å; I63-L93 HydrophobicContact CB-CB 4.42Å; I63-L93 HydrophobicContact CD1-CD2 4.49Å; I63-L93 PolarHBondContact N-O 2.97Å; I63-L93 PolarHBondContact O-N 2.98Å; L93-L95 HydrophobicContact CD1-CG 4.39Å; L93-C104 WeakPolarHBondContact CD1-SG 3.49Å; L93-R105 WeakPolarHBondContact CA-O 3.41Å; L93-Y106 HydrophobicContact CD1-CD1 3.85Å; L93-Y106 HydrophobicContact CD1-CE1 3.64Å
94T98.6Very high97.3Very high2 Ų233.8 Ų33.81%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-131.1124.6171.8-53.90000108.7C60 I61 R62 W96 C104 R105C60-T94 WeakPolarHBondContact SG-CG2 3.38Å; I61-T94 WeakPolarHBondContact O-CA 3.5Å; R62-T94 HydrophobicContact CG-CG2 4.42Å; T94-W96 HydrophobicContact CG2-CD2 4.07Å; T94-W96 HydrophobicContact CG2-CE3 4.11Å; T94-W96 HydrophobicContact CG2-CH2 3.56Å; T94-W96 HydrophobicContact CG2-CZ2 3.47Å; T94-W96 VanDerWaalsContact CG2-CZ2 3.47Å; T94-W96 HydrophobicContact CG2-CZ3 3.87Å; T94-C104 CarbonylContact O-C 3.57Å; T94-C104 VanDerWaalsContact O-CA 3.32Å; T94-C104 WeakPolarHBondContact O-CA 3.5Å; T94-R105 PolarHBondContact N-O 3.04Å; T94-R105 PolarHBondContact O-N 2.95Å
95L98.7Very high97.3Very high0 Ų034.5 Ų34.50%019%0.186CC..EExtended strand (participates in β ladder)trans-113.7129.6171.9-69.9163.3000108.8V9 F12 L13 C60 I61 L93 C103 C104 V115V9-L95 HydrophobicContact CG1-CD1 4.45Å; F12-L95 HydrophobicContact CD1-CD1 4.27Å; F12-L95 HydrophobicContact CD1-CD2 3.99Å; F12-L95 HydrophobicContact CE1-CD1 4.42Å; F12-L95 HydrophobicContact CE1-CD2 3.85Å; L13-L95 HydrophobicContact CD1-CD1 4.24Å; L13-L95 HydrophobicContact CD2-CD1 3.98Å; L13-L95 HydrophobicContact CG-CD1 4.15Å; C60-L95 WeakPolarHBondContact CA-O 3.48Å; C60-L95 PolarHBondContact SG-O 3.3Å; I61-L95 HydrophobicContact CB-CB 4.22Å; I61-L95 PolarHBondContact N-O 3.44Å; I61-L95 PolarHBondContact O-N 3.41Å; L93-L95 HydrophobicContact CD1-CG 4.39Å; L95-C103 WeakPolarHBondContact CA-O 3.32Å; L95-C104 HydrophobicContact CD2-CB 3.51Å; L95-V115 HydrophobicContact CD2-CG2 4.28Å
96W98.7Very high97.3Very high40 Ų4034.2 Ų34.215%0.15217%0.174CC..EExtended strand (participates in β ladder)trans-103.4130.4167.3-62.4-93.4000108.1T94 V102 C103 R105 C112T94-W96 HydrophobicContact CG2-CD2 4.07Å; T94-W96 HydrophobicContact CG2-CE3 4.11Å; T94-W96 HydrophobicContact CG2-CH2 3.56Å; T94-W96 HydrophobicContact CG2-CZ2 3.47Å; T94-W96 VanDerWaalsContact CG2-CZ2 3.47Å; T94-W96 HydrophobicContact CG2-CZ3 3.87Å; W96-V102 WeakPolarHBondContact O-CA 3.5Å; W96-C103 PolarHBondContact N-O 3.31Å; W96-C103 PolarHBondContact O-N 3.3Å; W96-C103 VanDerWaalsContact O-N 3.14Å; W96-R105 HydrophobicContact CH2-CB 3.99Å; W96-R105 HydrophobicContact CZ3-CB 3.74Å; W96-C112 WeakPolarHBondContact CH2-SG 3.49Å; W96-C112 HydrophobicContact CZ3-CB 4.35Å; W96-C112 WeakPolarHBondContact CZ3-SG 3.4Å
97V98.6Very high97.3Very high0 Ų032.9 Ų32.90%017%0.17CC..EExtended strand (participates in β ladder)trans-122.291.3-174.9-165.60000106.6E5 V9 F43 W47 R59 I61 V102E5-V97 HydrophobicContact CB-CG1 3.87Å; V9-V97 HydrophobicContact CG2-CB 4.32Å; V9-V97 HydrophobicContact CG2-CG1 3.84Å; V9-V97 HydrophobicContact CG2-CG2 3.51Å; F43-V97 HydrophobicContact CE2-CB 3.91Å; F43-V97 HydrophobicContact CE2-CG1 3.57Å; F43-V97 HydrophobicContact CZ-CB 3.84Å; F43-V97 HydrophobicContact CZ-CG1 4.02Å; F43-V97 HydrophobicContact CZ-CG2 4.19Å; W47-V97 HydrophobicContact CH2-CG1 4.39Å; W47-V97 HydrophobicContact CZ3-CG1 4.45Å; W47-V97 WeakPolarHBondContact CZ3-O 3.49Å; R59-V97 PolarHBondContact NE-O 2.95Å; I61-V97 HydrophobicContact CD1-CG2 4.46Å; V97-V102 HydrophobicContact CG1-CG2 4.21Å
98D97.9Very high97.2Very high17 Ų1735.1 Ų35.19%0.09118%0.181CC..EExtended strand (participates in β ladder)trans-121.1151.8-169.4-61.8-31.3000110.1E5 P52 Q56 R59 G100 E101E5-D98 WeakPolarHBondContact CG-O 3.37Å; P52-D98 HydrophobicContact CB-CB 4.39Å; Q56-D98 WeakPolarHBondContact CB-OD1 3.49Å; R59-D98 IonicContact CZ-OD1 2.81Å; R59-D98 IonicContact NE-OD1 2.81Å; R59-D98 IonicContact NH2-OD1 3.17Å; R59-D98 PolarHBondContact NH2-OD1 3.2Å; D98-G100 PolarHBondContact O-N 3.43Å; D98-E101 CarbonylContact C-O 3.53Å; D98-E101 PolarHBondContact N-O 3.22Å; D98-E101 CarbonylContact O-C 3.54Å; D98-E101 PolarHBondContact O-N 3.23Å
99P97.2Very high97.1Very high15 Ų1541.8 Ų41.810%0.09720%0.201CC..THydrogen-bonded Turntrans-51.4119.2175.7-23.327.7000112.3W47 P49 P52 E101W47-P99 HydrophobicContact CD2-CG 3.95Å; W47-P99 HydrophobicContact CG-CG 4.33Å; W47-P99 HydrophobicContact CH2-CG 4.37Å; W47-P99 VanDerWaalsContact CZ2-CA 3.45Å; W47-P99 HydrophobicContact CZ2-CB 4Å; W47-P99 HydrophobicContact CZ2-CG 3.83Å; P49-P99 HydrophobicContact CB-CB 4.38Å; P52-P99 HydrophobicContact CB-CB 4.26Å; P52-P99 HydrophobicContact CB-CG 4.24Å; P52-P99 HydrophobicContact CG-CB 4.29Å; P99-E101 VanDerWaalsContact C-N 3.33Å; P99-E101 PolarHBondContact O-N 3.02Å
100G95.1Very high97.2Very high29 Ų2944.8 Ų44.830%0.29922%0.217SC..THydrogen-bonded Turntrans85.2-9.3179.700000115.9E5 D98 T117 F118E5-G100 PolarHBondContact OE1-N 3.37Å; D98-G100 PolarHBondContact O-N 3.43Å; G100-T117 WeakPolarHBondContact O-CA 3.31Å; G100-F118 PolarHBondContact O-N 3.15Å
101E96.3Very high97.2Very high89 Ų8948 Ų4842%0.41624%0.237SC..EExtended strand (participates in β ladder)trans-151.2136.2-178.9-174.5169.2-135.300113.6D98 P99 T117D98-E101 CarbonylContact C-O 3.53Å; D98-E101 PolarHBondContact N-O 3.22Å; D98-E101 CarbonylContact O-C 3.54Å; D98-E101 PolarHBondContact O-N 3.23Å; P99-E101 VanDerWaalsContact C-N 3.33Å; P99-E101 PolarHBondContact O-N 3.02Å; E101-T117 HydrophobicContact CG-CG2 4.37Å
102V98.4Very high97.4Very high0 Ų041.6 Ų41.60%022%0.223CC..EExtended strand (participates in β ladder)trans-116.9122163.7-178.10000107.7E5 A8 V9 W96 V97 V115 A116 F118E5-V102 HydrophobicContact CB-CG2 3.89Å; E5-V102 HydrophobicContact CG-CG2 4.27Å; A8-V102 HydrophobicContact CB-CG2 4.31Å; V9-V102 HydrophobicContact CG2-CG1 3.7Å; V9-V102 HydrophobicContact CG2-CG2 4.2Å; W96-V102 WeakPolarHBondContact O-CA 3.5Å; V97-V102 HydrophobicContact CG1-CG2 4.21Å; V102-V115 HydrophobicContact CB-CB 4.26Å; V102-V115 HydrophobicContact CG1-CB 3.96Å; V102-V115 HydrophobicContact CG1-CG1 4.31Å; V102-V115 HydrophobicContact CG1-CG2 4.37Å; V102-V115 WeakPolarHBondContact O-CA 3.45Å; V102-V115 WeakPolarHBondContact O-CB 3.47Å; V102-V115 PolarHBondContact O-N 3.16Å; V102-A116 PolarHBondContact N-O 2.65Å; V102-A116 PolarHBondContact O-N 3.25Å; V102-A116 VanDerWaalsContact O-N 3.13Å; V102-F118 HydrophobicContact CG2-CE2 4.23Å
103C98.3Very high97.4Very high19 Ų1943.8 Ų43.813%0.12823%0.232CC..EExtended strand (participates in β ladder)trans-125.1155.4175.372.10000111.7L95 W96 F113L95-C103 WeakPolarHBondContact CA-O 3.32Å; W96-C103 PolarHBondContact N-O 3.31Å; W96-C103 PolarHBondContact O-N 3.3Å; W96-C103 VanDerWaalsContact O-N 3.14Å; C103-F113 WeakPolarHBondContact CA-O 3.11Å; C103-F113 WeakPolarHBondContact CB-O 3.35Å
104C98.6Very high97.4Very high0 Ų046.7 Ų46.70%025%0.252CS..EExtended strand (participates in β ladder)trans-131.1149.7-173.9-176.70000110.8F12 L93 T94 L95 C112 F113 V115F12-C104 HydrophobicContact CE1-CB 4.48Å; F12-C104 HydrophobicContact CZ-CB 4.29Å; L93-C104 WeakPolarHBondContact CD1-SG 3.49Å; T94-C104 CarbonylContact O-C 3.57Å; T94-C104 VanDerWaalsContact O-CA 3.32Å; T94-C104 WeakPolarHBondContact O-CA 3.5Å; L95-C104 HydrophobicContact CD2-CB 3.51Å; C104-C112 CarbonylContact O-C 3.51Å; C104-C112 VanDerWaalsContact O-CA 3.24Å; C104-C112 WeakPolarHBondContact O-CA 3.26Å; C104-F113 HydrophobicContact CB-CD1 4.36Å; C104-F113 HydrophobicContact CB-CD2 4.37Å; C104-F113 HydrophobicContact CB-CE1 3.75Å; C104-F113 HydrophobicContact CB-CE2 3.76Å; C104-F113 HydrophobicContact CB-CZ 3.42Å; C104-F113 VanDerWaalsContact CB-CZ 3.42Å; C104-F113 PolarHBondContact N-O 2.84Å; C104-F113 VanDerWaalsContact O-CD1 3.23Å; C104-F113 WeakPolarHBondContact O-CD1 3.43Å; C104-F113 PolarHBondContact O-N 2.68Å; C104-F113 WeakPolarHBondContact SG-CZ 3.26Å; C104-V115 HydrophobicContact CB-CG2 3.47Å; C104-V115 VanDerWaalsContact CB-CG2 3.47Å
105R98.3Very high97.3Very high43 Ų4348.5 Ų48.516%0.16226%0.263CS..EExtended strand (participates in β ladder)trans-135.6131.5168.5178.6176.868.2-16814.4109.9L93 T94 W96 G107 E108 N110L93-R105 WeakPolarHBondContact CA-O 3.41Å; T94-R105 PolarHBondContact N-O 3.04Å; T94-R105 PolarHBondContact O-N 2.95Å; W96-R105 HydrophobicContact CH2-CB 3.99Å; W96-R105 HydrophobicContact CZ3-CB 3.74Å; R105-G107 VanDerWaalsContact CD-O 3.3Å; R105-G107 WeakPolarHBondContact CD-O 3.37Å; R105-G107 WeakPolarHBondContact CG-O 3.12Å; R105-E108 IonicContact CZ-OE2 2.67Å; R105-E108 IonicContact NH2-OE2 3.72Å; R105-E108 PolarHBondContact NH2-OE2 2.73Å; R105-N110 WeakPolarHBondContact CD-O 3.18Å; R105-N110 HydrophobicContact CG-CB 4.49Å; R105-N110 WeakPolarHBondContact CG-O 3.4Å
106Y97Very high97.2Very high74 Ų7449.5 Ų49.529%0.2927%0.272SS..EExtended strand (participates in β ladder)trans-99.4122.9166.8-64.1-60.8000109.5F12 P90 E92 L93 N110 F113F12-Y106 VanDerWaalsContact CZ-OH 3.23Å; F12-Y106 WeakPolarHBondContact CZ-OH 3.4Å; P90-Y106 HydrophobicContact CB-CD1 4.12Å; P90-Y106 HydrophobicContact CB-CE1 4.44Å; P90-Y106 HydrophobicContact CG-CD1 3.84Å; P90-Y106 HydrophobicContact CG-CE1 3.68Å; E92-Y106 WeakPolarHBondContact O-CA 3.48Å; L93-Y106 HydrophobicContact CD1-CD1 3.85Å; L93-Y106 HydrophobicContact CD1-CE1 3.64Å; Y106-N110 WeakPolarHBondContact O-CB 3.28Å; Y106-N110 VanDerWaalsContact O-CG 3.24Å; Y106-N110 PolarHBondContact O-ND2 2.77Å; Y106-F113 AromaticContact CD2-CE1 3.59Å; Y106-F113 HydrophobicContact CD2-CE1 3.59Å; Y106-F113 HydrophobicContact CD2-CZ 4.01Å; Y106-F113 AromaticContact CE2-CE1 3.57Å; Y106-F113 HydrophobicContact CE2-CE1 3.57Å; Y106-F113 AromaticContact CE2-CZ 3.47Å; Y106-F113 HydrophobicContact CE2-CZ 3.47Å; Y106-F113 VanDerWaalsContact CE2-CZ 3.47Å
107G96.5Very high97Very high14 Ų1451.7 Ų51.714%0.14429%0.29CS..SBendtrans78.4138.6-178.200000113.7E92 R105 Q109 N110E92-G107 PolarHBondContact O-N 3.17Å; E92-G107 WeakPolarHBondContact OE2-CA 3.29Å; R105-G107 VanDerWaalsContact CD-O 3.3Å; R105-G107 WeakPolarHBondContact CD-O 3.37Å; R105-G107 WeakPolarHBondContact CG-O 3.12Å; G107-Q109 PolarHBondContact O-N 3.42Å; G107-N110 PolarHBondContact O-N 2.99Å
108E94.9Very high96.5Very high47 Ų4754.3 Ų54.322%0.2230%0.301CS..THydrogen-bonded Turntrans-65.9-23.4-171.1-64.7-70.5-175.200114.7R62 N64 E92 R105R62-E108 IonicContact CZ-OE1 2.63Å; R62-E108 IonicContact CZ-OE2 2.63Å; R62-E108 IonicContact NE-OE1 3.72Å; R62-E108 IonicContact NH1-OE2 3.58Å; R62-E108 IonicContact NH2-OE1 2.65Å; R62-E108 PolarHBondContact NH2-OE1 2.91Å; R62-E108 IonicContact NH2-OE2 2.62Å; R62-E108 PolarHBondContact NH2-OE2 3.12Å; N64-E108 WeakPolarHBondContact CB-OE1 3.21Å; N64-E108 PolarHBondContact ND2-OE1 2.62Å; E92-E108 PolarHBondContact OE2-N 3.28Å; R105-E108 IonicContact CZ-OE2 2.67Å; R105-E108 IonicContact NH2-OE2 3.72Å; R105-E108 PolarHBondContact NH2-OE2 2.73Å
109Q95.1Very high95.7Very high180 Ų18062.3 Ų62.384%0.84133%0.33SS*.THydrogen-bonded Turntrans-102-3.1-175.6-57.4-61-6.600114.2G107G107-Q109 PolarHBondContact O-N 3.42Å
110N96.8Very high94.2Very high92 Ų9265.6 Ų65.649%0.49235%0.353SS..SBendtrans-86.2155.5-177.6-69.6-14.2000110.9R105 Y106 G107R105-N110 WeakPolarHBondContact CD-O 3.18Å; R105-N110 HydrophobicContact CG-CB 4.49Å; R105-N110 WeakPolarHBondContact CG-O 3.4Å; Y106-N110 WeakPolarHBondContact O-CB 3.28Å; Y106-N110 VanDerWaalsContact O-CG 3.24Å; Y106-N110 PolarHBondContact O-ND2 2.77Å; G107-N110 PolarHBondContact O-N 2.99Å
111P97Very high92.8Very high111 Ų11170.1 Ų70.172%0.72137%0.371SS*.PPolyproline II helixtrans-64.5151.3172.528.4-35000111.1
112C97.3Very high91.3Very high65 Ų6569.3 Ų69.344%0.43937%0.369SS..PPolyproline II helixtrans-73.3151.6167.7-54.90000110.1W96 C104W96-C112 WeakPolarHBondContact CH2-SG 3.49Å; W96-C112 HydrophobicContact CZ3-CB 4.35Å; W96-C112 WeakPolarHBondContact CZ3-SG 3.4Å; C104-C112 CarbonylContact O-C 3.51Å; C104-C112 VanDerWaalsContact O-CA 3.24Å; C104-C112 WeakPolarHBondContact O-CA 3.26Å
113F97.9Very high89.8Confident81 Ų8175.4 Ų75.436%0.35540%0.397SS..EExtended strand (participates in β ladder)trans-128.3149.9170.764.3-87.1000110F12 C103 C104 Y106 V115F12-F113 HydrophobicContact CE2-CE2 4.29Å; F12-F113 HydrophobicContact CE2-CZ 4.4Å; F12-F113 HydrophobicContact CZ-CE2 4.43Å; F12-F113 HydrophobicContact CZ-CZ 4.14Å; C103-F113 WeakPolarHBondContact CA-O 3.11Å; C103-F113 WeakPolarHBondContact CB-O 3.35Å; C104-F113 HydrophobicContact CB-CD1 4.36Å; C104-F113 HydrophobicContact CB-CD2 4.37Å; C104-F113 HydrophobicContact CB-CE1 3.75Å; C104-F113 HydrophobicContact CB-CE2 3.76Å; C104-F113 HydrophobicContact CB-CZ 3.42Å; C104-F113 VanDerWaalsContact CB-CZ 3.42Å; C104-F113 PolarHBondContact N-O 2.84Å; C104-F113 VanDerWaalsContact O-CD1 3.23Å; C104-F113 WeakPolarHBondContact O-CD1 3.43Å; C104-F113 PolarHBondContact O-N 2.68Å; C104-F113 WeakPolarHBondContact SG-CZ 3.26Å; Y106-F113 AromaticContact CD2-CE1 3.59Å; Y106-F113 HydrophobicContact CD2-CE1 3.59Å; Y106-F113 HydrophobicContact CD2-CZ 4.01Å; Y106-F113 AromaticContact CE2-CE1 3.57Å; Y106-F113 HydrophobicContact CE2-CE1 3.57Å; Y106-F113 AromaticContact CE2-CZ 3.47Å; Y106-F113 HydrophobicContact CE2-CZ 3.47Å; Y106-F113 VanDerWaalsContact CE2-CZ 3.47Å; F113-V115 HydrophobicContact CE2-CG2 4.15Å
114S97.9Very high88.3Confident63 Ų6381.7 Ų81.744%0.44143%0.43SS..EExtended strand (participates in β ladder)trans-73.4131.7177.3-170.90000110.5T117S114-T117 WeakPolarHBondContact OG-CG2 3.32Å
115V97.9Very high86.9Confident40 Ų4086.9 Ų86.924%0.24246%0.457CS..EExtended strand (participates in β ladder)trans-91-43.4169.9177.10000109.5F12 L95 V102 C104 F113F12-V115 HydrophobicContact CB-CG1 3.87Å; F12-V115 HydrophobicContact CD2-CG1 3.9Å; F12-V115 HydrophobicContact CD2-CG2 4.26Å; F12-V115 HydrophobicContact CE2-CG2 4.27Å; F12-V115 HydrophobicContact CG-CG1 3.94Å; F12-V115 HydrophobicContact CG-CG2 4.45Å; F12-V115 HydrophobicContact CZ-CG2 4.46Å; L95-V115 HydrophobicContact CD2-CG2 4.28Å; V102-V115 HydrophobicContact CB-CB 4.26Å; V102-V115 HydrophobicContact CG1-CB 3.96Å; V102-V115 HydrophobicContact CG1-CG1 4.31Å; V102-V115 HydrophobicContact CG1-CG2 4.37Å; V102-V115 WeakPolarHBondContact O-CA 3.45Å; V102-V115 WeakPolarHBondContact O-CB 3.47Å; V102-V115 PolarHBondContact O-N 3.16Å; C104-V115 HydrophobicContact CB-CG2 3.47Å; C104-V115 VanDerWaalsContact CB-CG2 3.47Å; F113-V115 HydrophobicContact CE2-CG2 4.15Å
116A95.9Very high85.7Confident21 Ų2187.5 Ų87.517%0.17446%0.461CS..EExtended strand (participates in β ladder)trans-157.2144.7175.900000110.7A8 V102 F118A8-A116 HydrophobicContact CB-CB 3.74Å; V102-A116 PolarHBondContact N-O 2.65Å; V102-A116 PolarHBondContact O-N 3.25Å; V102-A116 VanDerWaalsContact O-N 3.13Å; A116-F118 HydrophobicContact CB-CE1 4.29Å; A116-F118 HydrophobicContact CB-CE2 3.91Å; A116-F118 HydrophobicContact CB-CZ 3.63Å
117T94.3Very high85Confident86 Ų8688.4 Ų88.453%0.52847%0.471SS..EExtended strand (participates in β ladder)trans-124.7135.7169.453.50000108.8G100 E101 S114G100-T117 WeakPolarHBondContact O-CA 3.31Å; E101-T117 HydrophobicContact CG-CG2 4.37Å; S114-T117 WeakPolarHBondContact OG-CG2 3.32Å
118F88.6Confident84.3Confident54 Ų5492.2 Ų92.224%0.23749%0.491CS..  trans-114.6101.9-176.7-52.6-82.5000109.6R4 E5 A8 G100 V102 A116R4-F118 HydrophobicContact CB-CD1 3.93Å; R4-F118 HydrophobicContact CB-CE1 3.75Å; R4-F118 HydrophobicContact CB-CG 4.43Å; R4-F118 HydrophobicContact CB-CZ 4.12Å; R4-F118 VanDerWaalsContact O-CZ 3.32Å; R4-F118 WeakPolarHBondContact O-CZ 3.39Å; E5-F118 HydrophobicContact CB-CE2 4.31Å; E5-F118 HydrophobicContact CG-CD2 3.95Å; E5-F118 HydrophobicContact CG-CE2 3.7Å; A8-F118 HydrophobicContact CB-CZ 3.82Å; G100-F118 PolarHBondContact O-N 3.15Å; V102-F118 HydrophobicContact CG2-CE2 4.23Å; A116-F118 HydrophobicContact CB-CE1 4.29Å; A116-F118 HydrophobicContact CB-CE2 3.91Å; A116-F118 HydrophobicContact CB-CZ 3.63Å
119R79.9Confident83.6Confident186 Ų18691.3 Ų91.370%0.70249%0.492SS*.  trans-85.5154.6173.1-54.2-178.585.5-160.63.4109.4
120S66.4Low83.2Confident84 Ų8488.3 Ų88.359%0.58748%0.476SS*.SBendtrans-77.8-18.5-175.949.30000114.3K126S120-K126 WeakPolarHBondContact O-CE 3.38Å; S120-K126 PolarHBondContact O-NZ 3.22Å
121D65.6Low82.7Confident124 Ų12491.4 Ų91.466%0.66349%0.485SS*.  trans-109.1-0.9-156.7-62.3-7.1000114.6E123D121-E123 PolarHBondContact O-N 2.88Å; D121-E123 VanDerWaalsContact O-N 3.15Å
122D64.3Low82.2Confident71 Ų7188.4 Ų88.438%0.3847%0.465SS..  trans-86.189.6-176.1-58.2-44.7000110.7D124 D125 K126D122-D124 PolarHBondContact O-N 2.98Å; D122-D125 HydrophobicContact CB-CB 4.1Å; D122-D125 PolarHBondContact O-N 3Å; D122-K126 WeakPolarHBondContact O-CG 3.13Å; D122-K126 PolarHBondContact O-N 3.44Å
123E67.6Low81.8Confident128 Ų12886.1 Ų86.160%0.59845%0.449SS*.Hα-helixtrans-57.9-41.6-174.9-70.6-66.9149.200114D121 D125 K126D121-E123 PolarHBondContact O-N 2.88Å; D121-E123 VanDerWaalsContact O-N 3.15Å; E123-D125 VanDerWaalsContact C-N 3.33Å; E123-D125 PolarHBondContact O-N 2.97Å; E123-K126 WeakPolarHBondContact O-CB 3.2Å; E123-K126 PolarHBondContact O-N 3.37Å; E123-K126 IonicContact OE1-NZ 2.65Å; E123-K126 PolarHBondContact OE1-NZ 3.33Å; E123-K126 IonicContact OE2-NZ 3.41Å
124D66.1Low81.4Confident151 Ų15184.2 Ų84.281%0.80745%0.445SS*.Hα-helixtrans-69-31.4-179.1-65.2-43.8000112.5D122 K126D122-D124 PolarHBondContact O-N 2.98Å; D124-K126 VanDerWaalsContact C-N 3.31Å
125D69.1Low80.9Confident109 Ų10983.8 Ų83.858%0.58345%0.446SS*.Hα-helixtrans-78.1-18.3176.3-77-21.8000112.3D122 E123 D127 A129D122-D125 HydrophobicContact CB-CB 4.1Å; D122-D125 PolarHBondContact O-N 3Å; E123-D125 VanDerWaalsContact C-N 3.33Å; E123-D125 PolarHBondContact O-N 2.97Å; D125-D127 VanDerWaalsContact C-N 3.32Å; D125-D127 PolarHBondContact O-N 3.24Å; D125-A129 WeakPolarHBondContact O-CB 3.34Å; D125-A129 PolarHBondContact O-N 2.81Å
126K74.6Confident80.5Confident56 Ų5682.9 Ų82.924%0.24344%0.44CS..Hα-helixtrans-63.6-37.7179.1-75.6176.1-169.4175.70111.7S120 D122 E123 D124 K130S120-K126 WeakPolarHBondContact O-CE 3.38Å; S120-K126 PolarHBondContact O-NZ 3.22Å; D122-K126 WeakPolarHBondContact O-CG 3.13Å; D122-K126 PolarHBondContact O-N 3.44Å; E123-K126 WeakPolarHBondContact O-CB 3.2Å; E123-K126 PolarHBondContact O-N 3.37Å; E123-K126 IonicContact OE1-NZ 2.65Å; E123-K126 PolarHBondContact OE1-NZ 3.33Å; E123-K126 IonicContact OE2-NZ 3.41Å; D124-K126 VanDerWaalsContact C-N 3.31Å; K126-K130 VanDerWaalsContact O-CB 3.28Å; K126-K130 WeakPolarHBondContact O-CB 3.45Å; K126-K130 WeakPolarHBondContact O-CD 3.47Å; K126-K130 WeakPolarHBondContact O-CG 3.44Å; K126-K130 PolarHBondContact O-N 3.1Å
127D81.8Confident80.2Confident93 Ų9385.3 Ų85.350%0.49745%0.447SS..Hα-helixtrans-74.4-41-175.3-79.2-6.2000113D125 K130 K131D125-D127 VanDerWaalsContact C-N 3.32Å; D125-D127 PolarHBondContact O-N 3.24Å; D127-K130 PolarHBondContact O-N 3.3Å; D127-K130 IonicContact OD1-NZ 3.12Å; D127-K130 PolarHBondContact OD1-NZ 3.47Å; D127-K131 WeakPolarHBondContact O-CG 3.07Å; D127-K131 PolarHBondContact O-N 2.98Å
128V80.4Confident80Confident94 Ų9488.5 Ų88.557%0.5745%0.45SS*.Hα-helixtrans-64.8-45.8172.2179.80000109.9K130 K131 V132V128-K130 PolarHBondContact O-N 3.32Å; V128-K131 PolarHBondContact O-N 2.81Å; V128-V132 HydrophobicContact CG1-CG2 4.38Å; V128-V132 WeakPolarHBondContact O-CG2 3.42Å; V128-V132 PolarHBondContact O-N 3.3Å
129A81.8Confident80Confident28 Ų2888.1 Ų88.123%0.23145%0.452CS..Hα-helixtrans-58.7-45.9177.300000111.7D125 K131 V132 T133D125-A129 WeakPolarHBondContact O-CB 3.34Å; D125-A129 PolarHBondContact O-N 2.81Å; A129-K131 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 3.23Å; A129-V132 PolarHBondContact O-N 3.18Å; A129-T133 WeakPolarHBondContact O-CG2 3.35Å; A129-T133 PolarHBondContact O-N 3.29Å; A129-T133 PolarHBondContact O-OG1 3.18Å; A129-T133 VanDerWaalsContact O-OG1 3.07Å
130K85.3Confident80.4Confident117 Ų11779.4 Ų79.451%0.50942%0.419SS..Hα-helixtrans-57.9-44.1176.1-76.6166.1-159.1159.20111.8K126 D127 V128 T133 S134K126-K130 VanDerWaalsContact O-CB 3.28Å; K126-K130 WeakPolarHBondContact O-CB 3.45Å; K126-K130 WeakPolarHBondContact O-CD 3.47Å; K126-K130 WeakPolarHBondContact O-CG 3.44Å; K126-K130 PolarHBondContact O-N 3.1Å; D127-K130 PolarHBondContact O-N 3.3Å; D127-K130 IonicContact OD1-NZ 3.12Å; D127-K130 PolarHBondContact OD1-NZ 3.47Å; V128-K130 PolarHBondContact O-N 3.32Å; K130-T133 WeakPolarHBondContact CA-OG1 3.43Å; K130-T133 PolarHBondContact O-OG1 3.24Å; K130-S134 WeakPolarHBondContact O-CB 3.42Å; K130-S134 PolarHBondContact O-N 2.79Å
131K87.2Confident81.3Confident158 Ų15878 Ų7869%0.68741%0.41SS*.Hα-helixtrans-63.5-46.5178.2-73.7176.4-176.9177.30111.4D127 V128 A129 S134 A135D127-K131 WeakPolarHBondContact O-CG 3.07Å; D127-K131 PolarHBondContact O-N 2.98Å; V128-K131 PolarHBondContact O-N 2.81Å; A129-K131 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 3.23Å; K131-S134 PolarHBondContact O-N 3.47Å; K131-A135 WeakPolarHBondContact O-CB 3.38Å; K131-A135 PolarHBondContact O-N 3.02Å
132V86.3Confident81.8Confident47 Ų4777.8 Ų77.829%0.28541%0.409SS..Hα-helixtrans-62-48.2178.5170.80000110.8A7 F11 V128 A129 S134 A135 L136A7-V132 HydrophobicContact CB-CG1 3.61Å; F11-V132 HydrophobicContact CE2-CG1 3.91Å; V128-V132 HydrophobicContact CG1-CG2 4.38Å; V128-V132 WeakPolarHBondContact O-CG2 3.42Å; V128-V132 PolarHBondContact O-N 3.3Å; A129-V132 PolarHBondContact O-N 3.18Å; V132-S134 VanDerWaalsContact C-N 3.34Å; V132-S134 PolarHBondContact O-N 3.15Å; V132-A135 PolarHBondContact O-N 3.07Å; V132-L136 WeakPolarHBondContact O-CB 3.44Å; V132-L136 PolarHBondContact O-N 2.85Å
133T88.8Confident82.3Confident17 Ų1779.1 Ų79.110%0.10441%0.409CS..Hα-helixtrans-64.5-40.4178.555.30000111.6M3 R4 A129 K130 L136 E137M3-T133 HydrophobicContact CB-CG2 3.8Å; R4-T133 HydrophobicContact CB-CG2 4.33Å; R4-T133 HydrophobicContact CG-CG2 3.39Å; A129-T133 WeakPolarHBondContact O-CG2 3.35Å; A129-T133 PolarHBondContact O-N 3.29Å; A129-T133 PolarHBondContact O-OG1 3.18Å; A129-T133 VanDerWaalsContact O-OG1 3.07Å; K130-T133 WeakPolarHBondContact CA-OG1 3.43Å; K130-T133 PolarHBondContact O-OG1 3.24Å; T133-L136 PolarHBondContact O-N 3.29Å; T133-E137 WeakPolarHBondContact O-CB 3.35Å; T133-E137 VanDerWaalsContact O-CG 3.26Å; T133-E137 WeakPolarHBondContact O-CG 3.47Å; T133-E137 PolarHBondContact O-N 3.48Å
134S89.3Confident82.3Confident41 Ų4178 Ų7829%0.28740%0.403SS..Hα-helixtrans-66-37.9178.8-174.90000112.7K130 K131 V132 R138K130-S134 WeakPolarHBondContact O-CB 3.42Å; K130-S134 PolarHBondContact O-N 2.79Å; K131-S134 PolarHBondContact O-N 3.47Å; V132-S134 VanDerWaalsContact C-N 3.34Å; V132-S134 PolarHBondContact O-N 3.15Å; S134-R138 WeakPolarHBondContact O-CG 3.28Å; S134-R138 PolarHBondContact O-N 2.82Å; S134-R138 PolarHBondContact O-NH1 3.33Å; S134-R138 PolarHBondContact OG-NH1 2.69Å
135A87.8Confident82.1Confident55 Ų5575.3 Ų75.346%0.45540%0.397SS..Hα-helixtrans-65.2-45173.500000110.8K131 V132 R138 V139K131-A135 WeakPolarHBondContact O-CB 3.38Å; K131-A135 PolarHBondContact O-N 3.02Å; V132-A135 PolarHBondContact O-N 3.07Å; A135-R138 PolarHBondContact O-N 3.42Å; A135-V139 WeakPolarHBondContact O-CG2 3.26Å; A135-V139 PolarHBondContact O-N 3.02Å
136L89.7Confident81.3Confident21 Ų2173.7 Ų73.711%0.1141%0.406CS..Hα-helixtrans-66.8-38.4179.3-163.763.8000112.2M3 I6 A7 A36 V132 T133 R138 V139 T140M3-L136 HydrophobicContact CE-CB 3.73Å; M3-L136 HydrophobicContact CE-CD2 3.66Å; M3-L136 HydrophobicContact CE-CG 3.47Å; M3-L136 VanDerWaalsContact CE-CG 3.47Å; I6-L136 HydrophobicContact CB-CD2 4.29Å; I6-L136 HydrophobicContact CG2-CD2 3.91Å; A7-L136 HydrophobicContact CB-CD2 4.08Å; A36-L136 HydrophobicContact CB-CD1 3.56Å; A36-L136 HydrophobicContact CB-CD2 4.37Å; A36-L136 HydrophobicContact CB-CG 4.18Å; V132-L136 WeakPolarHBondContact O-CB 3.44Å; V132-L136 PolarHBondContact O-N 2.85Å; T133-L136 PolarHBondContact O-N 3.29Å; L136-R138 VanDerWaalsContact C-N 3.35Å; L136-R138 PolarHBondContact O-N 2.95Å; L136-V139 PolarHBondContact O-N 3.39Å; L136-T140 WeakPolarHBondContact O-CG2 3.36Å; L136-T140 PolarHBondContact O-N 2.91Å; L136-T140 PolarHBondContact O-OG1 2.87Å
137E90.1Very high80.1Confident71 Ų7176.7 Ų76.733%0.33243%0.434SS..Hα-helixtrans-60.4-43.1175.3-78.7171.7177.200111.6N1 M3 T133 T140 S141N1-E137 PolarHBondContact ND2-OE1 3.42Å; M3-E137 HydrophobicContact CE-CB 4.48Å; M3-E137 HydrophobicContact CE-CG 3.8Å; M3-E137 HydrophobicContact CG-CG 3.83Å; M3-E137 HydrophobicContact SD-CG 4.45Å; T133-E137 WeakPolarHBondContact O-CB 3.35Å; T133-E137 VanDerWaalsContact O-CG 3.26Å; T133-E137 WeakPolarHBondContact O-CG 3.47Å; T133-E137 PolarHBondContact O-N 3.48Å; E137-T140 WeakPolarHBondContact CA-OG1 3.48Å; E137-T140 CarbonylContact O-C 3.6Å; E137-T140 PolarHBondContact O-N 3.47Å; E137-T140 PolarHBondContact O-OG1 3.19Å; E137-S141 WeakPolarHBondContact O-CB 3.39Å; E137-S141 PolarHBondContact O-N 2.86Å; E137-S141 PolarHBondContact O-OG 3.25Å
138R89.6Confident78.6Confident153 Ų15377.1 Ų77.158%0.57744%0.444SS*.Hα-helixtrans-59.7-46.8174.5-74.2-175.1-178.3811.4112.4S134 A135 L136 T140 S141 D142S134-R138 WeakPolarHBondContact O-CG 3.28Å; S134-R138 PolarHBondContact O-N 2.82Å; S134-R138 PolarHBondContact O-NH1 3.33Å; S134-R138 PolarHBondContact OG-NH1 2.69Å; A135-R138 PolarHBondContact O-N 3.42Å; L136-R138 VanDerWaalsContact C-N 3.35Å; L136-R138 PolarHBondContact O-N 2.95Å; R138-T140 PolarHBondContact O-N 3.37Å; R138-S141 WeakPolarHBondContact CA-OG 3.42Å; R138-S141 PolarHBondContact O-N 3.06Å; R138-S141 PolarHBondContact O-OG 3.49Å; R138-D142 VanDerWaalsContact O-CG 3.29Å; R138-D142 PolarHBondContact O-N 3.28Å
139V87.7Confident77.3Confident46 Ų4676.6 Ų76.628%0.27945%0.445SS..Hα-helixtrans-57.3-40.7176.1169.70000111E33 A135 L136E33-V139 HydrophobicContact CB-CG1 3.72Å; E33-V139 HydrophobicContact CG-CG1 3.74Å; A135-V139 WeakPolarHBondContact O-CG2 3.26Å; A135-V139 PolarHBondContact O-N 3.02Å; L136-V139 PolarHBondContact O-N 3.39Å
140T89Confident76Confident3 Ų382.8 Ų82.82%0.01847%0.474CS..Hα-helixtrans-78.4-30-179.759.30000114.2M3 A36 V37 Q40 L136 E137 R138 H144M3-T140 HydrophobicContact CE-CG2 4.16Å; A36-T140 HydrophobicContact CB-CG2 4.4Å; V37-T140 HydrophobicContact CG2-CG2 3.97Å; Q40-T140 PolarHBondContact NE2-OG1 3.29Å; Q40-T140 VanDerWaalsContact OE1-CB 3.26Å; Q40-T140 PolarHBondContact OE1-OG1 3.39Å; L136-T140 WeakPolarHBondContact O-CG2 3.36Å; L136-T140 PolarHBondContact O-N 2.91Å; L136-T140 PolarHBondContact O-OG1 2.87Å; E137-T140 WeakPolarHBondContact CA-OG1 3.48Å; E137-T140 CarbonylContact O-C 3.6Å; E137-T140 PolarHBondContact O-N 3.47Å; E137-T140 PolarHBondContact O-OG1 3.19Å; R138-T140 PolarHBondContact O-N 3.37Å; T140-H144 PolarHBondContact O-CD2 2.95Å
141S84.6Confident75Confident55 Ų5584.7 Ų84.739%0.38548%0.484SS..Hα-helixtrans-72.7-37.1-177.457.70000112.8E137 R138 Y143 H144 S145E137-S141 WeakPolarHBondContact O-CB 3.39Å; E137-S141 PolarHBondContact O-N 2.86Å; E137-S141 PolarHBondContact O-OG 3.25Å; R138-S141 WeakPolarHBondContact CA-OG 3.42Å; R138-S141 PolarHBondContact O-N 3.06Å; R138-S141 PolarHBondContact O-OG 3.49Å; S141-Y143 PolarHBondContact O-N 3.44Å; S141-H144 PolarHBondContact O-N 3.43Å; S141-H144 VanDerWaalsContact O-N 3.11Å; S141-S145 PolarHBondContact O-OG 3.15Å
142D77.4Confident73.1Confident120 Ų12085.7 Ų85.764%0.64249%0.492SS*.THydrogen-bonded Turntrans-66.4-23.5-175.4-64.6-10.4000111.8R138R138-D142 VanDerWaalsContact O-CG 3.29Å; R138-D142 PolarHBondContact O-N 3.28Å
143Y74.3Confident71.3Confident99 Ų9988.6 Ų88.639%0.38851%0.514SS..THydrogen-bonded Turntrans-72.8-26.8176.7-162.2-110.9000113.8V37 S141V37-Y143 HydrophobicContact CG1-CD1 3.64Å; V37-Y143 HydrophobicContact CG1-CE1 4.14Å; V37-Y143 HydrophobicContact CG1-CG 4.22Å; S141-Y143 PolarHBondContact O-N 3.44Å
144H67.3Low68.9Low103 Ų10394 Ų9448%0.47755%0.547SS..THydrogen-bonded Turntrans-92.4-6.7-176.9-68.9-54.8000114.2E41 T140 S141 G146E41-H144 IonicContact OE1-CE1 3.68Å; E41-H144 PolarHBondContact OE1-CE1 3.47Å; E41-H144 IonicContact OE1-NE2 3.74Å; T140-H144 PolarHBondContact O-CD2 2.95Å; S141-H144 PolarHBondContact O-N 3.43Å; S141-H144 VanDerWaalsContact O-N 3.11Å; H144-G146 VanDerWaalsContact C-N 3.34Å
145S62.3Low67Low96 Ų9698 Ų9867%0.67158%0.575SS**THydrogen-bonded Turntrans-85.1-3.3-177.3-59.10000114.1S141S141-S145 PolarHBondContact O-OG 3.15Å
146G53.3Low64.6Low75 Ų75101.1 Ų101.177%0.77359%0.593SS**THydrogen-bonded Turntrans-86.42.9-173.800000116.7H144H144-G146 VanDerWaalsContact C-N 3.34Å
147S48.7Very low62.2Low119 Ų119105.4 Ų105.483%0.83263%0.625SS**  trans-103.964.4-179.9-164.20000111.1
148S50.9Low60.4Low101 Ų101107.2 Ų107.271%0.70664%0.643SS**  trans-87.3116.6165.3-178.60000108.4D150S148-D150 PolarHBondContact O-N 2.95Å
149S52.3Low57.8Low84 Ų84107.8 Ų107.859%0.58766%0.657SS**  trans-70.2114.9174.3-161.10000108.9E151S149-E151 PolarHBondContact O-N 3.37Å; S149-E151 PolarHBondContact OG-OE1 3.19Å
150D55.3Low55.3Low157 Ų157111.7 Ų111.784%0.8468%0.681SS**  trans-84.2103.6164.2-81.5-23.7000108.1S148 E152S148-D150 PolarHBondContact O-N 2.95Å; D150-E152 PolarHBondContact O-N 3.35Å
151E64.5Low52.9Low157 Ų157117.4 Ų117.473%0.73472%0.716SS**  trans-82.991.4171.2-57.7-73.2137.100109.1S149 S153S149-E151 PolarHBondContact O-N 3.37Å; S149-E151 PolarHBondContact OG-OE1 3.19Å; E151-S153 PolarHBondContact O-N 3.46Å
152E46.8Very low51Low180 Ų180120 Ų12084%0.84173%0.731SS**  trans-88.2104.3164-177.6102.6108.800109.1D150 T154D150-E152 PolarHBondContact O-N 3.35Å; E152-T154 PolarHBondContact O-N 3.24Å
153S47.3Very low49.1Very low107 Ų107121.5 Ų121.575%0.74874%0.739SS**  trans-73.7115.8170.8-64.10000110.6E151E151-S153 PolarHBondContact O-N 3.46Å
154T38.7Very low47.3Very low131 Ų131122.3 Ų122.380%0.80476%0.759SS**  trans-129.3122.215345.40000110.4E152E152-T154 PolarHBondContact O-N 3.24Å
155S49.3Very low45.7Very low125 Ų125127.8 Ų127.887%0.87478%0.776SS**  trans-72.3127.5-175.847.30000111.7
156S37.2Very low44.4Very low120 Ų120135.4 Ų135.484%0.83979%0.79SS**  trans-159.7117.8146.2-168.90000110.5
157S39.2Very low43.3Very low112 Ų112137.3 Ų137.378%0.78379%0.786SS**  trans-123.3150.6162.3-72.80000105.3
158P52.1Low42.7Very low108 Ų108139.8 Ų139.870%0.70179%0.785SS**  -136.8164.852.627.6-3.5000113.1
159L35.5Very low42.2Very low166 Ų166144 Ų14487%0.86979%0.793SS**  -169.1134.984.8-79.5164.6000110.7
160T35.5Very low41.6Very low128 Ų128146 Ų14679%0.78580%0.802SS**  trans-60.2146.1168.9-23.40000110.2
161V38.2Very low41Very low123 Ų123147.1 Ų147.175%0.74580%0.804SS**  174.3178.255.2-169.60000105.4
162P45.3Very low40.4Very low108 Ų108145.5 Ų145.570%0.70180%0.801SS**  cis-118.9159.5-40.626.8-8.9000115.1
163N37.3Very low40.6Very low152 Ų152143.4 Ų143.481%0.81380%0.803SS**  trans2.9113.6139.4-15910.3000119
164S36.6Very low41Very low116 Ų116141.2 Ų141.281%0.81180%0.797SS**  trans-127.5125.9161170.50000110
165R33Very low41.3Very low219 Ų219138.2 Ų138.283%0.82679%0.786SS**  trans-63.8144.9-176.1-67.4169.2176177.4-2.3112.3T167R165-T167 PolarHBondContact O-N 3.12Å
166W35.3Very low41.4Very low255 Ų255137.5 Ų137.597%0.96678%0.778SS**  trans-48.2128.3162.6-93.5-45.3000112.2
167T29.7Very low41.7Very low115 Ų115136 Ų13671%0.70677%0.768SS**  trans-155.8120.8149.628.70000110.9R165R165-T167 PolarHBondContact O-N 3.12Å
168H36.7Very low41.8Very low172 Ų172142 Ų14280%0.79677%0.773SS**  trans52.4117.6154.2-47.4-65.6000121.6
169Q40.8Very low41.7Very low188 Ų188143.9 Ų143.988%0.87977%0.772SS**  trans-138.5104.5132.1-73.9-168.35.400109.3
170T40.5Very low41.7Very low127 Ų127142 Ų14278%0.77977%0.77SS**  89.694.996.4-44.40000110.9
171M40.9Very low42.1Very low181 Ų181145.3 Ų145.389%0.89277%0.774SS**  trans-74.7141.7171.6-71.1-161.5150.200110.8P173M171-P173 WeakPolarHBondContact O-CD 3.42Å
172N53.1Low42.2Very low122 Ų122149.1 Ų149.165%0.65278%0.78SS**  trans-60.9117.2175.8179.7-2.9000110.8G174N172-G174 PolarHBondContact O-N 3.4Å; N172-G174 VanDerWaalsContact O-N 3.17Å; N172-G174 PolarHBondContact OD1-N 3.01Å
173P50.1Low42Very low136 Ų136152.8 Ų152.888%0.88379%0.79SS**THydrogen-bonded Turntrans-73.2-1.8-177.928.9-33.1000114.1M171M171-P173 WeakPolarHBondContact O-CD 3.42Å
174G55.6Low42.3Very low61 Ų61151.7 Ų151.763%0.62979%0.788SS**THydrogen-bonded Turntrans-103.24.9-179.200000116.1N172 P176N172-G174 PolarHBondContact O-N 3.4Å; N172-G174 VanDerWaalsContact O-N 3.17Å; N172-G174 PolarHBondContact OD1-N 3.01Å; G174-P176 WeakPolarHBondContact O-CD 3.07Å
175A44.5Very low42.5Very low69 Ų69152.4 Ų152.457%0.5779%0.79SS**  trans-85.9121.618000000111.3S177A175-S177 PolarHBondContact O-N 3.11Å
176P52.2Low42.7Very low109 Ų109145.3 Ų145.371%0.70879%0.786SS**  trans-65.1125.3172.713.9-13.9000110.4G174 W178G174-P176 WeakPolarHBondContact O-CD 3.07Å; P176-W178 PolarHBondContact O-N 3.47Å
177S43.3Very low43.2Very low89 Ų89143.5 Ų143.562%0.62279%0.785SS**  trans-71.4115.8176.857.60000110.5A175 H179A175-S177 PolarHBondContact O-N 3.11Å; S177-H179 PolarHBondContact O-N 3.19Å; S177-H179 PolarHBondContact OG-CD2 2.95Å; S177-H179 PolarHBondContact OG-NE2 3.25Å
178W40.9Very low43.4Very low238 Ų238141.3 Ų141.390%0.90279%0.785SS**  trans-78.6101.1172.3-78.588.1000109.6P176P176-W178 PolarHBondContact O-N 3.47Å
179H49.9Very low43.4Very low147 Ų147142.2 Ų142.268%0.68179%0.789SS**  trans-96.6121.2168.8-67.4-67.8000110.3S177 K181S177-H179 PolarHBondContact O-N 3.19Å; S177-H179 PolarHBondContact OG-CD2 2.95Å; S177-H179 PolarHBondContact OG-NE2 3.25Å; H179-K181 PolarHBondContact O-N 2.95Å; H179-K181 VanDerWaalsContact O-N 3.15Å
180P36.2Very low43.5Very low126 Ų126141.1 Ų141.182%0.81879%0.788SS**  trans-69109.7169.4-8.723.1000109.1K182P180-K182 PolarHBondContact O-N 2.81Å
181K44Very low43.5Very low199 Ų199142.7 Ų142.787%0.86579%0.79SS**PPolyproline II helixtrans-75119.9169.6-78.8-178.5177.41740109.2H179 M183H179-K181 PolarHBondContact O-N 2.95Å; H179-K181 VanDerWaalsContact O-N 3.15Å; K181-M183 PolarHBondContact O-N 3.26Å
182K39.8Very low43.6Very low202 Ų202139.8 Ų139.888%0.87879%0.785SS**PPolyproline II helixtrans-64121.5168.3-64.5-172.3177.7-1770108.8P180 V184P180-K182 PolarHBondContact O-N 2.81Å; K182-V184 PolarHBondContact O-N 2.84Å
183M41.5Very low43Very low186 Ų186144.5 Ų144.592%0.91679%0.793SS**PPolyproline II helixtrans-75.5118.2172.7-69.8-17872.900109.3K181K181-M183 PolarHBondContact O-N 3.26Å
184V44.4Very low42.4Very low128 Ų128143.2 Ų143.278%0.77679%0.785SS**PPolyproline II helixtrans-89.6139.91671790000107.9K182 G186K182-V184 PolarHBondContact O-N 2.84Å; V184-G186 PolarHBondContact O-N 3.28Å
185P40.3Very low41.9Very low131 Ų131149 Ų14985%0.85180%0.795SS**  trans-72.9100.7-177.7-10.726.9000110.8
186G36.4Very low41.7Very low71 Ų71156.3 Ų156.373%0.73281%0.81SS**  trans-87.1123.2170.300000111.1V184 G188V184-G186 PolarHBondContact O-N 3.28Å; G186-G188 PolarHBondContact O-N 3.35Å
187K45.9Very low41Very low217 Ų217154.7 Ų154.794%0.94381%0.813SS**  trans-61.1111.6165.5-100.2133.3172.7174.70109
188G34.6Very low40.6Very low69 Ų69161.6 Ų161.671%0.71183%0.827SS**  trans-110.2132.9174.100000110.7G186G186-G188 PolarHBondContact O-N 3.35Å
189H36.6Very low40.4Very low190 Ų190161.8 Ų161.888%0.8883%0.828SS**  trans-66.9146.7179-75.9-97.1000112.5
190I42.3Very low40.1Very low166 Ų166160.4 Ų160.485%0.85183%0.832SS**  trans-67.5128.7-176.2-59.1166.2000110.3
191L41.1Very low40.2Very low160 Ų160166.3 Ų166.384%0.83884%0.838SS**  trans-110.9141.5161.5-75.6171.6000109.6
192P42Very low39.6Very low119 Ų119160.4 Ų160.477%0.77383%0.834SS**PPolyproline II helixtrans-75.6140.1-165.228.2-32.4000113.4
193R41.8Very low39.4Very low221 Ų221162.2 Ų162.283%0.83484%0.835SS**PPolyproline II helixtrans-69.4131.8177.9-172-179.9-172.9-168.92.7110.8H195R193-H195 PolarHBondContact O-N 3.2Å
194P38.1Very low38.9Very low110 Ų110157.2 Ų157.271%0.71482%0.824SS**PPolyproline II helixtrans-73.9122.2168.9-3.318.1000109.9Y196P194-Y196 PolarHBondContact O-N 2.73Å
195H44.2Very low38.8Very low181 Ų181155.9 Ų155.984%0.83882%0.82SS**  trans-71.8111.3170.5-84.3-72.7000110.3R193R193-H195 PolarHBondContact O-N 3.2Å
196Y41.1Very low38.7Very low223 Ų223157.8 Ų157.888%0.87582%0.817SS**  trans-107.8118.2153.6-88.7-83.1000108.8P194P194-Y196 PolarHBondContact O-N 2.73Å
197G36.3Very low38.6Very low76 Ų76160.3 Ų160.378%0.78482%0.819SS**  trans-68137.4-17500000112.8
198Y35.3Very low38.4Very low234 Ų234158.6 Ų158.692%0.91882%0.819SS**  trans-69.8129.7163.1-100.2-102.3000109.7
199R36.9Very low38.4Very low241 Ų241166 Ų16691%0.90983%0.825SS**  trans-121.1110.8164.3-150.1-173.6-152.1-156.67.4107.4
200P43.9Very low38.7Very low119 Ų119162.3 Ų162.377%0.77382%0.821SS**  trans-85.8131.6176.132.1-27.6000109
201R36.7Very low38.5Very low249 Ų249161.5 Ų161.594%0.9482%0.819SS**  trans-141.1114.2163.3-142-179.5-163.7-128.53.6110.9
202G32.1Very low38.3Very low76 Ų76160 Ų16078%0.78482%0.816SS**  trans71.8104.513400000118.1
203R36.7Very low38.3Very low239 Ų239165.1 Ų165.190%0.90282%0.82SS**  trans-56141.8163.6-160.2-176.1-144.8-170.74.8112
204A31Very low38.3Very low82 Ų82161.3 Ų161.368%0.67882%0.815SS**  trans-146.6122.3147.900000109.4
205S42.3Very low38.6Very low100 Ų100160.3 Ų160.370%0.69981%0.808SS**  trans-82.8124172.8-50.50000108.4
206H38.5Very low38.4Very low170 Ų170156.7 Ų156.779%0.78780%0.801SS**  trans-129.4121.1166.6-76.5-73.4000111.5
207T33.6Very low38.2Very low125 Ų125152.6 Ų152.677%0.76780%0.798SS**  trans-35.3143.2168.247.70000116.1R209T207-R209 PolarHBondContact O-N 3.23Å
208L40.8Very low38.4Very low181 Ų181159.1 Ų159.195%0.94880%0.801SS**  trans-37.8122.5160.6-81.1136.7000112.3
209R34.8Very low38.4Very low224 Ų224159.6 Ų159.685%0.84580%0.801SS**  trans-124.8125.1155.4-101.1-171.3176.4-1360.8108.4T207 N211T207-R209 PolarHBondContact O-N 3.23Å; R209-N211 PolarHBondContact O-N 3.4Å
210S43.1Very low38.3Very low113 Ų113152.7 Ų152.779%0.7980%0.796SS**  trans-62.5125.3166.550.90000108.9
211N37.4Very low37.6Very low149 Ų149153 Ų15380%0.79780%0.799SS**  trans-115107.7168.9-80-14.5000108.7R209 W213R209-N211 PolarHBondContact O-N 3.4Å; N211-W213 PolarHBondContact O-N 3.44Å
212V38.6Very low37.9Very low128 Ų128146.4 Ų146.478%0.77679%0.789SS**  trans-56.1126.11631730000108.4
213W41.9Very low37.9Very low226 Ų226150.2 Ų150.286%0.85679%0.791SS**  trans-76.1122.9176-175.9-69.7000110N211N211-W213 PolarHBondContact O-N 3.44Å
214I41.9Very low37.8Very low142 Ų142147.2 Ų147.273%0.72878%0.781SS**  trans-112.1128.6169.9-57.9175.9000107.4
215P42.7Very low37.9Very low88 Ų88155.3 Ų155.357%0.57179%0.794SS**  trans-74.1152.1179.829.7-32.6000112V217P215-V217 PolarHBondContact O-N 2.83Å
216P41.6Very low37.5Very low106 Ų106155.9 Ų155.969%0.68879%0.789SS**  trans-71.8125.7176.927.8-30.4000110.9Y218P216-Y218 PolarHBondContact O-N 3.45Å
217V37.2Very low37.5Very low136 Ų136153.1 Ų153.182%0.82479%0.785SS**  trans-72111.3167.41780000107.9P215 R219P215-V217 PolarHBondContact O-N 2.83Å; V217-R219 PolarHBondContact O-N 3.36Å
218Y40.6Very low37.5Very low214 Ų214155.5 Ų155.584%0.83979%0.787SS**  trans-70.6115.9164.9-85.7-88.2000108.3P216 A220P216-Y218 PolarHBondContact O-N 3.45Å; Y218-A220 PolarHBondContact O-N 3.4Å
219R33.4Very low37.3Very low243 Ų243154.8 Ų154.892%0.91778%0.779SS**  trans-59.3121.1165.7-84.4-175.2-171.2173.83108.5V217V217-R219 PolarHBondContact O-N 3.36Å
220A35.8Very low37.2Very low97 Ų97150.8 Ų150.880%0.80277%0.774SS**  trans-66.7133161.200000109.7Y218Y218-A220 PolarHBondContact O-N 3.4Å
221C29.4Very low36.9Very low126 Ų126151 Ų15185%0.85177%0.771SS**  trans-144.4146.3145.6-117.40000109.9
222P42.1Very low37Very low110 Ų110148.4 Ų148.471%0.71477%0.769SS**  trans-113.9126.4-153.633-16.5000112.4
223D32Very low37Very low155 Ų155150.3 Ų150.383%0.82977%0.77SS**  trans-111.491.8165.5-77-34.2000110
224Y34.3Very low36.8Very low177 Ų177143.2 Ų143.269%0.69476%0.755SS**  40.893.6122.4-151.7-97.6000117.3D226Y224-D226 HydrophobicContact CD1-CB 4.18Å; Y224-D226 HydrophobicContact CE1-CB 3.6Å; Y224-D226 VanDerWaalsContact CE1-CG 3.43Å; Y224-D226 WeakPolarHBondContact CE1-OD2 3.47Å; Y224-D226 PolarHBondContact OH-OD1 3.49Å; Y224-D226 PolarHBondContact OH-OD2 3.48Å
225W33.4Very low36.6Very low251 Ų251146.9 Ų146.995%0.95176%0.761SS**  trans-101.5108.1153.5-70.993.1000108.2
226D33.9Very low36.4Very low113 Ų113152.1 Ų152.160%0.60480%0.8SS**  trans-68.9147.7178.8-142.7-22.4000111.2Y224Y224-D226 HydrophobicContact CD1-CB 4.18Å; Y224-D226 HydrophobicContact CE1-CB 3.6Å; Y224-D226 VanDerWaalsContact CE1-CG 3.43Å; Y224-D226 WeakPolarHBondContact CE1-OD2 3.47Å; Y224-D226 PolarHBondContact OH-OD1 3.49Å; Y224-D226 PolarHBondContact OH-OD2 3.48Å
227T38.6Very low36.1Very low112 Ų112154.5 Ų154.569%0.68781%0.805SS**  trans-93.1122.4-173.6-33.90000107.2
228Q33.7Very low36.1Very low174 Ų174155.4 Ų155.481%0.81380%0.804SS**  trans-124.479.9162.2-112.3-1733.400110.4
229Q36Very low35.8Very low166 Ų166152.2 Ų152.278%0.77680%0.802SS**  trans-80.9108.1145.9-85.5179.2-16.600107.2
230N33.1Very low36Very low141 Ų141146.8 Ų146.875%0.75480%0.796SS**  trans-93.598.8158.4-95-41000107.6
231V38.1Very low36Very low118 Ų118149.9 Ų149.972%0.71580%0.795SS**  trans-105.3116.7160.5-1700000106.1
232A38.9Very low36.4Very low93 Ų93151.5 Ų151.577%0.76979%0.792SS**  trans-132.5107.5166.600000109.5
233H39.4Very low36Very low168 Ų168154.5 Ų154.578%0.77880%0.797SS**  trans-16.8153.8139.9-68.4-63.7000115.8
234S36.5Very low36.3Very low78 Ų78154.5 Ų154.555%0.54580%0.795SS.*  cis-175.1168.9-4.8-77.40000107.8
235Y37Very low36.5Very low219 Ų219152.6 Ų152.686%0.85980%0.803SS**  trans64.2107.8157.7-61.1-70.4000121.1
236S39.4Very low36.8Very low198 Ų198143.6 Ų143.6100%1.38579%0.79SS**  -174.40107.3-69.10000109.8

Retrieved 236 of 236 residues in 121.2 ms (Link to these results)

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