A0A077ZHX9_TRITR Loading...

ABC tran and ABC membrane domain containing prote in

AlphaFold DB , UniProt , Accession A0A077ZHX9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 425 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
1M69.2Low83.9Confident126 Ų12685.7 Ų85.762%0.62141%0.413SS*.  0-51.80-69.5-164177.700112.9I3 L4 F5 I138M1-I3 VanDerWaalsContact C-N 3.27Å; M1-I3 PolarHBondContact O-N 3.47Å; M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.38Å; M1-F5 PolarHBondContact O-N 2.96Å; M1-F5 VanDerWaalsContact O-N 3.15Å; M1-I138 HydrophobicContact CE-CD1 4.17Å; M1-I138 HydrophobicContact CE-CG1 4.1Å; M1-I138 HydrophobicContact CE-CG2 3.72Å; M1-I138 HydrophobicContact CG-CD1 4.24Å
2I81.3Confident84.3Confident146 Ų14679.6 Ų79.675%0.74939%0.387SS*.Hα-helixtrans-51.6-46.1177-62171.3000111.8L4 F5 V6I2-L4 VanDerWaalsContact C-N 3.34Å; I2-L4 PolarHBondContact O-N 3.48Å; I2-F5 PolarHBondContact O-N 3.4Å; I2-V6 WeakPolarHBondContact O-CG2 3.42Å; I2-V6 PolarHBondContact O-N 3.32Å; I2-V6 VanDerWaalsContact O-N 3.09Å
3I82Confident84.5Confident107 Ų10776.8 Ų76.855%0.54939%0.385SS..Hα-helixtrans-56.8-43.5177.7-60.4173.4000112.3M1 V6 M7M1-I3 VanDerWaalsContact C-N 3.27Å; M1-I3 PolarHBondContact O-N 3.47Å; I3-V6 PolarHBondContact O-N 2.93Å; I3-M7 HydrophobicContact CG2-SD 4.01Å; I3-M7 VanDerWaalsContact O-CG 3.28Å; I3-M7 WeakPolarHBondContact O-CG 3.5Å; I3-M7 PolarHBondContact O-N 3.36Å
4L82.6Confident84.6Confident6 Ų675.2 Ų75.23%0.03138%0.377CS..Hα-helixtrans-66.8-39.5-179.8-67.2170.3000112.2M1 I2 V6 M7 D8 A12 M15 F131 Y134 I138M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.38Å; I2-L4 VanDerWaalsContact C-N 3.34Å; I2-L4 PolarHBondContact O-N 3.48Å; L4-V6 VanDerWaalsContact C-N 3.32Å; L4-M7 PolarHBondContact O-N 3.36Å; L4-D8 PolarHBondContact O-N 3.49Å; L4-A12 HydrophobicContact CB-CB 4.21Å; L4-M15 HydrophobicContact CD1-CE 4.17Å; L4-M15 HydrophobicContact CD1-SD 3.66Å; L4-M15 HydrophobicContact CD2-SD 4.42Å; L4-F131 HydrophobicContact CB-CE1 3.99Å; L4-F131 HydrophobicContact CB-CZ 4.44Å; L4-F131 HydrophobicContact CD2-CD1 3.78Å; L4-F131 HydrophobicContact CD2-CE1 3.68Å; L4-F131 HydrophobicContact CD2-CG 4.35Å; L4-F131 HydrophobicContact CD2-CZ 4.2Å; L4-F131 HydrophobicContact CG-CE1 4.35Å; L4-Y134 HydrophobicContact CD2-CD2 3.52Å; L4-Y134 HydrophobicContact CD2-CE2 4.3Å; L4-Y134 HydrophobicContact CD2-CG 3.99Å; L4-Y134 HydrophobicContact CG-CD2 4.36Å; L4-I138 HydrophobicContact CD1-CD1 3.55Å
5F85Confident84.7Confident127 Ų12770.6 Ų70.656%0.55735%0.354SS*.Hα-helixtrans-66.9-36.9179.3-164.2-92.6000111.8M1 I2 W9 A12M1-F5 PolarHBondContact O-N 2.96Å; M1-F5 VanDerWaalsContact O-N 3.15Å; I2-F5 PolarHBondContact O-N 3.4Å; F5-W9 HydrophobicContact CD2-CB 4.22Å; F5-W9 HydrophobicContact CE1-CB 4.3Å; F5-W9 HydrophobicContact CE2-CB 3.9Å; F5-W9 HydrophobicContact CZ-CB 3.95Å; F5-A12 HydrophobicContact CB-CB 4.33Å; F5-A12 HydrophobicContact CD2-CB 4.14Å
6V84.9Confident84.6Confident121 Ų12174.4 Ų74.473%0.73337%0.367SS*.Hα-helixtrans-67.7-35.4172.4174.90000111.4I2 I3 L4I2-V6 WeakPolarHBondContact O-CG2 3.42Å; I2-V6 PolarHBondContact O-N 3.32Å; I2-V6 VanDerWaalsContact O-N 3.09Å; I3-V6 PolarHBondContact O-N 2.93Å; L4-V6 VanDerWaalsContact C-N 3.32Å
7M84Confident84.6Confident51 Ų5175.9 Ų75.925%0.25138%0.377SS..Hα-helixtrans-69.6-51.9179.3-76170.452.500113.6I3 L4 Q127 A130 F131I3-M7 HydrophobicContact CG2-SD 4.01Å; I3-M7 VanDerWaalsContact O-CG 3.28Å; I3-M7 WeakPolarHBondContact O-CG 3.5Å; I3-M7 PolarHBondContact O-N 3.36Å; L4-M7 PolarHBondContact O-N 3.36Å; M7-Q127 HydrophobicContact CE-CB 4.13Å; M7-Q127 HydrophobicContact CE-CG 3.99Å; M7-Q127 PolarHBondContact O-NE2 2.89Å; M7-A130 HydrophobicContact CE-CB 3.81Å; M7-F131 HydrophobicContact CB-CE2 4.28Å; M7-F131 HydrophobicContact CB-CZ 4.25Å; M7-F131 HydrophobicContact CE-CD2 4.22Å; M7-F131 HydrophobicContact CE-CE2 3.91Å
8D88.5Confident84.5Confident17 Ų1771.8 Ų71.89%0.09136%0.356CS..  trans-161.4113.4172.5-178.7-70.7000108.9L4 K10 M11 A12 R117 L123 F131L4-D8 PolarHBondContact O-N 3.49Å; D8-K10 VanDerWaalsContact C-N 3.29Å; D8-K10 PolarHBondContact O-N 3.19Å; D8-K10 WeakPolarHBondContact OD1-CA 3.46Å; D8-K10 WeakPolarHBondContact OD1-CB 3.27Å; D8-K10 PolarHBondContact OD1-N 2.64Å; D8-M11 HydrophobicContact CB-CB 4.2Å; D8-M11 HydrophobicContact CB-CG 4.18Å; D8-M11 PolarHBondContact O-N 3.4Å; D8-M11 WeakPolarHBondContact OD1-CG 3.46Å; D8-M11 PolarHBondContact OD1-N 3.26Å; D8-A12 WeakPolarHBondContact O-CB 3.41Å; D8-A12 PolarHBondContact O-N 3.03Å; D8-R117 IonicContact OD2-CZ 3.92Å; D8-R117 IonicContact OD2-NH2 2.86Å; D8-R117 PolarHBondContact OD2-NH2 2.91Å; D8-L123 HydrophobicContact CB-CD1 3.94Å; D8-F131 HydrophobicContact CB-CE2 4.07Å; D8-F131 HydrophobicContact CB-CZ 4.02Å
9W87.9Confident84.4Confident157 Ų15770.6 Ų70.660%0.59535%0.353SS*.Hα-helixtrans-67.2-27-17673.4-92000113.3F5 A13F5-W9 HydrophobicContact CD2-CB 4.22Å; F5-W9 HydrophobicContact CE1-CB 4.3Å; F5-W9 HydrophobicContact CE2-CB 3.9Å; F5-W9 HydrophobicContact CZ-CB 3.95Å; W9-A13 VanDerWaalsContact O-CB 3.31Å; W9-A13 WeakPolarHBondContact O-CB 3.34Å; W9-A13 PolarHBondContact O-N 2.87Å
10K88.8Confident84.5Confident84 Ų8470.1 Ų70.137%0.36536%0.355SS..Hα-helixtrans-73-44.8-179.6-61.7-176.6-179.8-1780110.7D8 A13 M14D8-K10 VanDerWaalsContact C-N 3.29Å; D8-K10 PolarHBondContact O-N 3.19Å; D8-K10 WeakPolarHBondContact OD1-CA 3.46Å; D8-K10 WeakPolarHBondContact OD1-CB 3.27Å; D8-K10 PolarHBondContact OD1-N 2.64Å; K10-A13 PolarHBondContact O-N 3.29Å; K10-M14 PolarHBondContact O-N 2.98Å
11M89.2Confident84.7Confident1 Ų170.2 Ų70.21%0.00536%0.356CS..Hα-helixtrans-64.8-42.8173.3-67.3-63.8-69.500110.9D8 A13 M14 M15 I110 Y113 L123 L128 F131D8-M11 HydrophobicContact CB-CB 4.2Å; D8-M11 HydrophobicContact CB-CG 4.18Å; D8-M11 PolarHBondContact O-N 3.4Å; D8-M11 WeakPolarHBondContact OD1-CG 3.46Å; D8-M11 PolarHBondContact OD1-N 3.26Å; M11-A13 VanDerWaalsContact C-N 3.34Å; M11-A13 PolarHBondContact O-N 3.18Å; M11-M14 WeakPolarHBondContact O-CB 3.22Å; M11-M14 PolarHBondContact O-N 3.37Å; M11-M15 PolarHBondContact O-N 3.35Å; M11-I110 HydrophobicContact CE-CG2 3.69Å; M11-Y113 HydrophobicContact SD-CD1 3.47Å; M11-Y113 WeakPolarHBondContact SD-CD1 3.43Å; M11-Y113 HydrophobicContact SD-CE1 3.74Å; M11-L123 HydrophobicContact CE-CD2 4.31Å; M11-L123 HydrophobicContact CG-CD1 4.27Å; M11-L123 HydrophobicContact CG-CD2 4.27Å; M11-L123 HydrophobicContact SD-CD2 4.36Å; M11-L128 HydrophobicContact CE-CD1 4.13Å; M11-F131 HydrophobicContact CB-CD1 3.72Å; M11-F131 HydrophobicContact CB-CD2 4.05Å; M11-F131 HydrophobicContact CB-CE1 3.36Å; M11-F131 HydrophobicContact CB-CE2 3.73Å; M11-F131 HydrophobicContact CB-CG 4.11Å; M11-F131 HydrophobicContact CB-CZ 3.4Å; M11-F131 HydrophobicContact CE-CB 4.29Å; M11-F131 HydrophobicContact CE-CD2 4.4Å; M11-F131 HydrophobicContact CE-CG 4.21Å; M11-F131 HydrophobicContact CG-CD2 4.33Å; M11-F131 HydrophobicContact CG-CE2 4.15Å; M11-F131 HydrophobicContact CG-CZ 4.29Å
12A88.2Confident85.4Confident12 Ų1264.8 Ų64.810%0.09933%0.33CS..Hα-helixtrans-62.1-39.5176.600000112.4L4 F5 D8 M15 F16 F131L4-A12 HydrophobicContact CB-CB 4.21Å; F5-A12 HydrophobicContact CB-CB 4.33Å; F5-A12 HydrophobicContact CD2-CB 4.14Å; D8-A12 WeakPolarHBondContact O-CB 3.41Å; D8-A12 PolarHBondContact O-N 3.03Å; A12-M15 PolarHBondContact O-N 2.86Å; A12-F16 PolarHBondContact O-N 2.92Å; A12-F131 HydrophobicContact CB-CE1 4.38Å
13A87.3Confident85.6Confident44 Ų4459.4 Ų59.436%0.36431%0.307SS..Hα-helixtrans-63.7-39.7174.900000112.3W9 K10 M11 F16 L17W9-A13 VanDerWaalsContact O-CB 3.31Å; W9-A13 WeakPolarHBondContact O-CB 3.34Å; W9-A13 PolarHBondContact O-N 2.87Å; K10-A13 PolarHBondContact O-N 3.29Å; M11-A13 VanDerWaalsContact C-N 3.34Å; M11-A13 PolarHBondContact O-N 3.18Å; A13-F16 WeakPolarHBondContact O-CB 3.46Å; A13-F16 PolarHBondContact O-N 2.87Å; A13-F16 VanDerWaalsContact O-N 3.16Å; A13-L17 PolarHBondContact O-N 3.16Å; A13-L17 VanDerWaalsContact O-N 3.1Å
14M85.6Confident85.9Confident54 Ų5460.7 Ų60.727%0.26631%0.314SS..Hα-helixtrans-62.9-42174.1-173.5-178.6-6700111.9K10 M11 F16 L17 I110 Y113K10-M14 PolarHBondContact O-N 2.98Å; M11-M14 WeakPolarHBondContact O-CB 3.22Å; M11-M14 PolarHBondContact O-N 3.37Å; M14-F16 VanDerWaalsContact C-N 3.31Å; M14-F16 PolarHBondContact O-N 3.1Å; M14-L17 WeakPolarHBondContact O-CB 3.33Å; M14-L17 PolarHBondContact O-N 3.01Å; M14-I110 HydrophobicContact SD-CG1 4.1Å; M14-Y113 HydrophobicContact CE-CD1 3.42Å; M14-Y113 VanDerWaalsContact CE-CD1 3.42Å; M14-Y113 HydrophobicContact CE-CD2 4.31Å; M14-Y113 HydrophobicContact CE-CE1 4.07Å; M14-Y113 HydrophobicContact CE-CG 3.57Å; M14-Y113 HydrophobicContact SD-CD1 4.37Å
15M85.4Confident86.2Confident6 Ų662.7 Ų62.73%0.0332%0.324CS..Hα-helixtrans-64.8-36172.2-70.5-171.983.900112.4L4 M11 A12 L17 A18 I110 F131 L135 I138L4-M15 HydrophobicContact CD1-CE 4.17Å; L4-M15 HydrophobicContact CD1-SD 3.66Å; L4-M15 HydrophobicContact CD2-SD 4.42Å; M11-M15 PolarHBondContact O-N 3.35Å; A12-M15 PolarHBondContact O-N 2.86Å; M15-L17 PolarHBondContact O-N 2.83Å; M15-A18 WeakPolarHBondContact O-CB 3.27Å; M15-A18 PolarHBondContact O-N 3.08Å; M15-I110 HydrophobicContact CG-CD1 3.67Å; M15-F131 HydrophobicContact CG-CD1 4.32Å; M15-F131 HydrophobicContact SD-CD1 3.5Å; M15-F131 WeakPolarHBondContact SD-CD1 3.38Å; M15-F131 HydrophobicContact SD-CE1 4.14Å; M15-L135 HydrophobicContact CE-CB 3.84Å; M15-L135 HydrophobicContact CE-CD1 4.01Å; M15-L135 VanDerWaalsContact CE-N 3.31Å; M15-I138 HydrophobicContact CE-CD1 3.59Å; M15-I138 HydrophobicContact SD-CD1 4.41Å
16F84.2Confident86.3Confident131 Ų13158.4 Ų58.458%0.57531%0.306SS*.Hα-helixtrans-62.9-33.7177.8-168.1-96.9000111.4A12 A13 M14 A18 V19 P20A12-F16 PolarHBondContact O-N 2.92Å; A13-F16 WeakPolarHBondContact O-CB 3.46Å; A13-F16 PolarHBondContact O-N 2.87Å; A13-F16 VanDerWaalsContact O-N 3.16Å; M14-F16 VanDerWaalsContact C-N 3.31Å; M14-F16 PolarHBondContact O-N 3.1Å; F16-A18 PolarHBondContact O-N 2.95Å; F16-V19 PolarHBondContact O-N 3.04Å; F16-P20 WeakPolarHBondContact O-CD 3.42Å
17L84Confident86.3Confident101 Ų10158 Ų5853%0.52930%0.298SS..Hα-helixtrans-62.1-20.9172.7-72168.5000113.5A13 M14 M15 V19 P20 I21A13-L17 PolarHBondContact O-N 3.16Å; A13-L17 VanDerWaalsContact O-N 3.1Å; M14-L17 WeakPolarHBondContact O-CB 3.33Å; M14-L17 PolarHBondContact O-N 3.01Å; M15-L17 PolarHBondContact O-N 2.83Å; L17-V19 VanDerWaalsContact C-N 3.29Å; L17-V19 PolarHBondContact O-N 3.35Å; L17-P20 VanDerWaalsContact O-CD 3.25Å; L17-P20 WeakPolarHBondContact O-CD 3.48Å; L17-P20 WeakPolarHBondContact O-CG 3.38Å; L17-I21 HydrophobicContact CB-CD1 4.36Å; L17-I21 WeakPolarHBondContact O-CB 3.2Å; L17-I21 VanDerWaalsContact O-CD1 3.31Å; L17-I21 WeakPolarHBondContact O-CD1 3.24Å; L17-I21 WeakPolarHBondContact O-CG1 3.48Å; L17-I21 PolarHBondContact O-N 2.95Å; L17-I21 VanDerWaalsContact O-N 3.14Å
18A82.6Confident86.6Confident1 Ų158.5 Ų58.51%0.00831%0.305CS..Hα-helixtrans-60-39.9173.900000112.3M15 F16 M22 L106 M139M15-A18 WeakPolarHBondContact O-CB 3.27Å; M15-A18 PolarHBondContact O-N 3.08Å; F16-A18 PolarHBondContact O-N 2.95Å; A18-M22 VanDerWaalsContact O-CB 3.23Å; A18-M22 WeakPolarHBondContact O-CB 3.49Å; A18-M22 PolarHBondContact O-N 3.21Å; A18-L106 HydrophobicContact CB-CD1 3.34Å; A18-L106 HydrophobicContact CB-CD2 4.09Å; A18-L106 HydrophobicContact CB-CG 4.34Å; A18-M139 HydrophobicContact CB-SD 4.29Å
19V83.3Confident86.7Confident49 Ų4958.9 Ų58.930%0.29731%0.307SS..Hα-helixtrans-64.6-54.4-177.8-179.10000112.4F16 L17 I21 M22 A23 I138F16-V19 PolarHBondContact O-N 3.04Å; L17-V19 VanDerWaalsContact C-N 3.29Å; L17-V19 PolarHBondContact O-N 3.35Å; V19-I21 PolarHBondContact O-N 3.47Å; V19-M22 PolarHBondContact O-N 3.34Å; V19-A23 VanDerWaalsContact O-CB 3.29Å; V19-A23 WeakPolarHBondContact O-CB 3.2Å; V19-A23 PolarHBondContact O-N 2.94Å; V19-I138 HydrophobicContact CG2-CG2 4.45Å
20P86.7Confident86.6Confident60 Ų6053.1 Ų53.139%0.3930%0.296SS..Hα-helixtrans-66.7-34177.127.1-33.5000112.6F16 L17 A23 L24F16-P20 WeakPolarHBondContact O-CD 3.42Å; L17-P20 VanDerWaalsContact O-CD 3.25Å; L17-P20 WeakPolarHBondContact O-CD 3.48Å; L17-P20 WeakPolarHBondContact O-CG 3.38Å; P20-A23 PolarHBondContact O-N 3.4Å; P20-L24 WeakPolarHBondContact O-CB 3.48Å; P20-L24 PolarHBondContact O-N 3.21Å
21I87.9Confident86.6Confident74 Ų7457.7 Ų57.738%0.37931%0.311SS..Hα-helixtrans-61.5-48.8173.8-69.9168.3000110.1L17 V19 A23 L24 I25 V102L17-I21 HydrophobicContact CB-CD1 4.36Å; L17-I21 WeakPolarHBondContact O-CB 3.2Å; L17-I21 VanDerWaalsContact O-CD1 3.31Å; L17-I21 WeakPolarHBondContact O-CD1 3.24Å; L17-I21 WeakPolarHBondContact O-CG1 3.48Å; L17-I21 PolarHBondContact O-N 2.95Å; L17-I21 VanDerWaalsContact O-N 3.14Å; V19-I21 PolarHBondContact O-N 3.47Å; I21-A23 PolarHBondContact O-N 3.44Å; I21-L24 PolarHBondContact O-N 3.19Å; I21-I25 HydrophobicContact CG2-CD1 4.02Å; I21-I25 WeakPolarHBondContact O-CG1 3.47Å; I21-I25 PolarHBondContact O-N 3.37Å; I21-I25 VanDerWaalsContact O-N 3.1Å; I21-V102 HydrophobicContact CG2-CG1 4.31Å
22M84.2Confident86.8Confident12 Ų1262 Ų626%0.05933%0.333CS..Hα-helixtrans-64.1-42.6178.8-166.388.8-82.500111.1A18 V19 L24 I25 M26 I99 V102 M139A18-M22 VanDerWaalsContact O-CB 3.23Å; A18-M22 WeakPolarHBondContact O-CB 3.49Å; A18-M22 PolarHBondContact O-N 3.21Å; V19-M22 PolarHBondContact O-N 3.34Å; M22-L24 VanDerWaalsContact C-N 3.35Å; M22-L24 PolarHBondContact O-N 2.81Å; M22-I25 PolarHBondContact O-N 2.98Å; M22-M26 HydrophobicContact CE-CE 3.72Å; M22-M26 HydrophobicContact CE-CG 4.2Å; M22-M26 HydrophobicContact CG-CG 4.15Å; M22-M26 VanDerWaalsContact O-CB 3.25Å; M22-M26 WeakPolarHBondContact O-CB 3.43Å; M22-M26 VanDerWaalsContact O-CG 3.27Å; M22-M26 WeakPolarHBondContact O-CG 3.32Å; M22-M26 PolarHBondContact O-N 3.16Å; M22-I99 HydrophobicContact CE-CG1 4.45Å; M22-I99 HydrophobicContact SD-CG1 4.46Å; M22-V102 HydrophobicContact CE-CB 3.83Å; M22-V102 HydrophobicContact CE-CG1 3.86Å; M22-V102 HydrophobicContact CE-CG2 3.78Å; M22-V102 HydrophobicContact SD-CB 4.43Å; M22-V102 HydrophobicContact SD-CG1 4.11Å; M22-M139 HydrophobicContact CG-CE 4.42Å; M22-M139 HydrophobicContact SD-CE 3.42Å; M22-M139 WeakPolarHBondContact SD-CE 3.37Å
23A84.9Confident86.9Confident33 Ų3363.6 Ų63.627%0.27334%0.339SS..Hα-helixtrans-62.3-41.8176.600000111.7V19 P20 I21 I25 M26 M27V19-A23 VanDerWaalsContact O-CB 3.29Å; V19-A23 WeakPolarHBondContact O-CB 3.2Å; V19-A23 PolarHBondContact O-N 2.94Å; P20-A23 PolarHBondContact O-N 3.4Å; I21-A23 PolarHBondContact O-N 3.44Å; A23-I25 VanDerWaalsContact C-N 3.29Å; A23-I25 PolarHBondContact O-N 2.83Å; A23-M26 PolarHBondContact O-N 2.98Å; A23-M27 HydrophobicContact CB-CE 3.92Å; A23-M27 VanDerWaalsContact O-CB 3.25Å; A23-M27 WeakPolarHBondContact O-CB 3.29Å; A23-M27 WeakPolarHBondContact O-CG 3.39Å; A23-M27 PolarHBondContact O-N 2.95Å
24L88.6Confident86.9Confident133 Ų13364 Ų6470%0.69634%0.34SS*.Hα-helixtrans-63-34.7177.7-176.1140.7000112.4P20 I21 M22 P28P20-L24 WeakPolarHBondContact O-CB 3.48Å; P20-L24 PolarHBondContact O-N 3.21Å; I21-L24 PolarHBondContact O-N 3.19Å; M22-L24 VanDerWaalsContact C-N 3.35Å; M22-L24 PolarHBondContact O-N 2.81Å; L24-P28 WeakPolarHBondContact O-CD 3.28Å; L24-P28 WeakPolarHBondContact O-CG 3.43Å
25I89.2Confident87.3Confident49 Ų4969.6 Ų69.625%0.25136%0.358SS..Hα-helixtrans-79.8-41.6176.2-64167.9000111.4I21 M22 A23 P28 I29 I98 V102I21-I25 HydrophobicContact CG2-CD1 4.02Å; I21-I25 WeakPolarHBondContact O-CG1 3.47Å; I21-I25 PolarHBondContact O-N 3.37Å; I21-I25 VanDerWaalsContact O-N 3.1Å; M22-I25 PolarHBondContact O-N 2.98Å; A23-I25 VanDerWaalsContact C-N 3.29Å; A23-I25 PolarHBondContact O-N 2.83Å; I25-P28 WeakPolarHBondContact O-CD 3.17Å; I25-P28 VanDerWaalsContact O-CG 3.3Å; I25-P28 WeakPolarHBondContact O-CG 3.43Å; I25-I29 HydrophobicContact CG2-CD1 4.09Å; I25-I29 WeakPolarHBondContact O-CD1 3.42Å; I25-I29 WeakPolarHBondContact O-CG1 3.05Å; I25-I98 HydrophobicContact CG2-CG2 3.52Å; I25-V102 HydrophobicContact CD1-CG2 3.56Å
26M86Confident87.7Confident36 Ų3670.2 Ų70.218%0.17736%0.361CS..Hα-helixtrans-80.3-33.7-173.4-71.9-67.2143.900113.6M22 A23 I29 G30 L95 I98 I99M22-M26 HydrophobicContact CE-CE 3.72Å; M22-M26 HydrophobicContact CE-CG 4.2Å; M22-M26 HydrophobicContact CG-CG 4.15Å; M22-M26 VanDerWaalsContact O-CB 3.25Å; M22-M26 WeakPolarHBondContact O-CB 3.43Å; M22-M26 VanDerWaalsContact O-CG 3.27Å; M22-M26 WeakPolarHBondContact O-CG 3.32Å; M22-M26 PolarHBondContact O-N 3.16Å; A23-M26 PolarHBondContact O-N 2.98Å; M26-I29 HydrophobicContact CE-CD1 4.43Å; M26-I29 PolarHBondContact O-N 3.45Å; M26-G30 PolarHBondContact O-N 2.85Å; M26-L95 HydrophobicContact CE-CD2 4.16Å; M26-L95 HydrophobicContact SD-CD2 3.73Å; M26-I98 HydrophobicContact CE-CB 4.37Å; M26-I98 HydrophobicContact CE-CG2 3.72Å; M26-I99 HydrophobicContact CE-CD1 4.18Å; M26-I99 HydrophobicContact CE-CG1 3.52Å
27M86.4Confident88.1Confident112 Ų11265.3 Ų65.355%0.55235%0.348SS*.Hα-helixtrans-54.8-50.4177.3-78.7-171.6-151.700113.6A23 R31A23-M27 HydrophobicContact CB-CE 3.92Å; A23-M27 VanDerWaalsContact O-CB 3.25Å; A23-M27 WeakPolarHBondContact O-CB 3.29Å; A23-M27 WeakPolarHBondContact O-CG 3.39Å; A23-M27 PolarHBondContact O-N 2.95Å; M27-R31 VanDerWaalsContact O-CG 3.31Å; M27-R31 WeakPolarHBondContact O-CG 3.33Å; M27-R31 PolarHBondContact O-N 3.32Å
28P90.3Very high88.5Confident62 Ų6267.9 Ų67.940%0.40335%0.35SS..Hα-helixtrans-66.3-39.3178.524.8-33.2000112.3L24 I25 R31 I32L24-P28 WeakPolarHBondContact O-CD 3.28Å; L24-P28 WeakPolarHBondContact O-CG 3.43Å; I25-P28 WeakPolarHBondContact O-CD 3.17Å; I25-P28 VanDerWaalsContact O-CG 3.3Å; I25-P28 WeakPolarHBondContact O-CG 3.43Å; P28-R31 PolarHBondContact O-N 3.19Å; P28-I32 WeakPolarHBondContact O-CG1 3.23Å; P28-I32 PolarHBondContact O-N 2.79Å
29I90.2Very high89.2Confident26 Ų2671.9 Ų71.913%0.13337%0.369CS..Hα-helixtrans-63.8-47.3177.6-60.7170.9000110.4I25 M26 R31 I32 M33 V91 L95 I98I25-I29 HydrophobicContact CG2-CD1 4.09Å; I25-I29 WeakPolarHBondContact O-CD1 3.42Å; I25-I29 WeakPolarHBondContact O-CG1 3.05Å; M26-I29 HydrophobicContact CE-CD1 4.43Å; M26-I29 PolarHBondContact O-N 3.45Å; I29-R31 VanDerWaalsContact C-N 3.28Å; I29-R31 PolarHBondContact O-N 2.8Å; I29-I32 WeakPolarHBondContact O-CB 3.32Å; I29-I32 PolarHBondContact O-N 3.19Å; I29-I32 VanDerWaalsContact O-N 3.08Å; I29-M33 HydrophobicContact CG2-CG 4.35Å; I29-M33 HydrophobicContact CG2-SD 4.23Å; I29-M33 WeakPolarHBondContact O-CG 3.31Å; I29-M33 PolarHBondContact O-N 2.83Å; I29-V91 HydrophobicContact CG2-CG1 3.76Å; I29-L95 HydrophobicContact CB-CD2 4.49Å; I29-L95 HydrophobicContact CG2-CD2 3.6Å; I29-I98 HydrophobicContact CD1-CD1 3.7Å
30G86.6Confident89.8Confident36 Ų3671.5 Ų71.537%0.37137%0.365SS..Hα-helixtrans-60.6-35.7176.200000112.7M26 S34M26-G30 PolarHBondContact O-N 2.85Å; G30-S34 VanDerWaalsContact O-CB 3.31Å; G30-S34 WeakPolarHBondContact O-CB 3.34Å; G30-S34 PolarHBondContact O-N 2.91Å; G30-S34 PolarHBondContact O-OG 3.43Å
31R88.8Confident90.2Very high179 Ų17975.3 Ų75.368%0.67538%0.377SS*.Hα-helixtrans-64.6-43.4172.4-74.6176.3-172.2173.83.7111.9M27 P28 I29 S34 R35M27-R31 VanDerWaalsContact O-CG 3.31Å; M27-R31 WeakPolarHBondContact O-CG 3.33Å; M27-R31 PolarHBondContact O-N 3.32Å; P28-R31 PolarHBondContact O-N 3.19Å; I29-R31 VanDerWaalsContact C-N 3.28Å; I29-R31 PolarHBondContact O-N 2.8Å; R31-S34 PolarHBondContact O-OG 3.42Å; R31-R35 WeakPolarHBondContact O-CB 3.43Å; R31-R35 PolarHBondContact O-N 3.18Å; R31-R35 VanDerWaalsContact O-N 3.1Å
32I93.3Very high90.5Very high92 Ų9274.1 Ų74.147%0.47238%0.379SS..Hα-helixtrans-63.1-49.2176.2-66.1165.5000110.4P28 I29 S34 R35 L36 V91P28-I32 WeakPolarHBondContact O-CG1 3.23Å; P28-I32 PolarHBondContact O-N 2.79Å; I29-I32 WeakPolarHBondContact O-CB 3.32Å; I29-I32 PolarHBondContact O-N 3.19Å; I29-I32 VanDerWaalsContact O-N 3.08Å; I32-S34 PolarHBondContact O-N 3Å; I32-R35 WeakPolarHBondContact O-CB 3.48Å; I32-R35 PolarHBondContact O-N 3.48Å; I32-R35 VanDerWaalsContact O-N 3.09Å; I32-L36 HydrophobicContact CG2-CD1 3.92Å; I32-L36 HydrophobicContact CG2-CG 4.41Å; I32-L36 PolarHBondContact O-N 2.78Å; I32-V91 HydrophobicContact CG2-CG1 4.48Å; I32-V91 HydrophobicContact CG2-CG2 4.18Å
33M89.7Confident91.1Very high45 Ų4573.7 Ų73.722%0.22238%0.377CS..Hα-helixtrans-59.1-46.1176.9-70.1-177.377.600111.9I29 R35 L36 G37 V91 E92 L95I29-M33 HydrophobicContact CG2-CG 4.35Å; I29-M33 HydrophobicContact CG2-SD 4.23Å; I29-M33 WeakPolarHBondContact O-CG 3.31Å; I29-M33 PolarHBondContact O-N 2.83Å; M33-R35 PolarHBondContact O-N 3.5Å; M33-L36 PolarHBondContact O-N 2.99Å; M33-G37 PolarHBondContact O-N 2.74Å; M33-V91 HydrophobicContact CG-CB 4.25Å; M33-V91 HydrophobicContact CG-CG1 3.4Å; M33-V91 VanDerWaalsContact CG-CG1 3.4Å; M33-V91 HydrophobicContact SD-CG1 4.24Å; M33-E92 HydrophobicContact CE-CB 4.08Å; M33-E92 HydrophobicContact CE-CG 4.3Å; M33-L95 HydrophobicContact CE-CD1 4.02Å; M33-L95 HydrophobicContact SD-CD1 3.73Å; M33-L95 HydrophobicContact SD-CD2 4.38Å; M33-L95 HydrophobicContact SD-CG 4.3Å
34S87.4Confident91.7Very high54 Ų5474.5 Ų74.538%0.37838%0.379SS..Hα-helixtrans-62.9-28.2177.7710000112.8G30 R31 I32 R38G30-S34 VanDerWaalsContact O-CB 3.31Å; G30-S34 WeakPolarHBondContact O-CB 3.34Å; G30-S34 PolarHBondContact O-N 2.91Å; G30-S34 PolarHBondContact O-OG 3.43Å; R31-S34 PolarHBondContact O-OG 3.42Å; I32-S34 PolarHBondContact O-N 3Å; S34-R38 WeakPolarHBondContact O-CB 3.36Å; S34-R38 VanDerWaalsContact O-CG 3.32Å; S34-R38 WeakPolarHBondContact O-CG 2.97Å; S34-R38 PolarHBondContact O-N 2.86Å; S34-R38 PolarHBondContact O-NE 2.94Å; S34-R38 PolarHBondContact OG-NH2 2.91Å
35R93.4Very high92Very high170 Ų17070.8 Ų70.864%0.64237%0.367SS*.Hα-helixtrans-76.4-46.6175.1-169178.9-170.9166.73.3111.1R31 I32 M33 R38 Q39R31-R35 WeakPolarHBondContact O-CB 3.43Å; R31-R35 PolarHBondContact O-N 3.18Å; R31-R35 VanDerWaalsContact O-N 3.1Å; I32-R35 WeakPolarHBondContact O-CB 3.48Å; I32-R35 PolarHBondContact O-N 3.48Å; I32-R35 VanDerWaalsContact O-N 3.09Å; M33-R35 PolarHBondContact O-N 3.5Å; R35-R38 PolarHBondContact O-N 3.34Å; R35-Q39 WeakPolarHBondContact O-CG 3.1Å; R35-Q39 PolarHBondContact O-N 3.23Å
36L94.4Very high92.3Very high20 Ų2071.8 Ų71.811%0.10537%0.373CS..Hα-helixtrans-62.7-46.4176.3-72.7173000111.4I32 M33 R38 Q39 L40 K87 D88 V91I32-L36 HydrophobicContact CG2-CD1 3.92Å; I32-L36 HydrophobicContact CG2-CG 4.41Å; I32-L36 PolarHBondContact O-N 2.78Å; M33-L36 PolarHBondContact O-N 2.99Å; L36-R38 VanDerWaalsContact C-N 3.32Å; L36-R38 PolarHBondContact O-N 3.41Å; L36-Q39 WeakPolarHBondContact O-CB 3.2Å; L36-Q39 PolarHBondContact O-N 3.04Å; L36-Q39 VanDerWaalsContact O-N 3.09Å; L36-L40 WeakPolarHBondContact O-CB 3.33Å; L36-L40 PolarHBondContact O-N 3.4Å; L36-K87 HydrophobicContact CD1-CB 4.32Å; L36-K87 HydrophobicContact CD2-CB 4.09Å; L36-D88 HydrophobicContact CB-CB 4.36Å; L36-V91 HydrophobicContact CD1-CG2 3.82Å
37G92Very high92.7Very high28 Ų2873.2 Ų73.229%0.28938%0.378SS..Hα-helixtrans-58.8-39.6175.500000113M33 L40 Q41M33-G37 PolarHBondContact O-N 2.74Å; G37-L40 PolarHBondContact O-N 2.89Å; G37-Q41 WeakPolarHBondContact O-CB 3.29Å; G37-Q41 PolarHBondContact O-N 2.75Å
38R93Very high93.1Very high155 Ų15572.4 Ų72.459%0.58538%0.376SS*.Hα-helixtrans-65.7-41.1172.7-81.9179.9-71.4-161.9-1.3112.8S34 R35 L36 Q41 A42S34-R38 WeakPolarHBondContact O-CB 3.36Å; S34-R38 VanDerWaalsContact O-CG 3.32Å; S34-R38 WeakPolarHBondContact O-CG 2.97Å; S34-R38 PolarHBondContact O-N 2.86Å; S34-R38 PolarHBondContact O-NE 2.94Å; S34-R38 PolarHBondContact OG-NH2 2.91Å; R35-R38 PolarHBondContact O-N 3.34Å; L36-R38 VanDerWaalsContact C-N 3.32Å; L36-R38 PolarHBondContact O-N 3.41Å; R38-Q41 PolarHBondContact O-N 3.28Å; R38-A42 WeakPolarHBondContact O-CB 3.48Å; R38-A42 PolarHBondContact O-N 3.39Å
39Q96.5Very high93.4Very high85 Ų8572.4 Ų72.440%0.39738%0.381SS..Hα-helixtrans-65.3-40.7176-72.1175.8-13.700111.7R35 L36 A42 A43 L84R35-Q39 WeakPolarHBondContact O-CG 3.1Å; R35-Q39 PolarHBondContact O-N 3.23Å; L36-Q39 WeakPolarHBondContact O-CB 3.2Å; L36-Q39 PolarHBondContact O-N 3.04Å; L36-Q39 VanDerWaalsContact O-N 3.09Å; Q39-A42 PolarHBondContact O-N 3.2Å; Q39-A43 WeakPolarHBondContact O-CB 3.44Å; Q39-A43 PolarHBondContact O-N 3.08Å; Q39-L84 HydrophobicContact CB-CD1 4.17Å; Q39-L84 HydrophobicContact CB-CD2 3.93Å
40L96.1Very high93.5Very high40 Ų4074 Ų7421%0.20939%0.388CS..Hα-helixtrans-63.3-47.8175.9-178.560.8000110.5L36 G37 A42 A43 T44 I81 L84L36-L40 WeakPolarHBondContact O-CB 3.33Å; L36-L40 PolarHBondContact O-N 3.4Å; G37-L40 PolarHBondContact O-N 2.89Å; L40-A42 VanDerWaalsContact C-N 3.34Å; L40-A42 PolarHBondContact O-N 3.15Å; L40-A43 PolarHBondContact O-N 3Å; L40-T44 PolarHBondContact O-N 2.94Å; L40-T44 PolarHBondContact O-OG1 2.84Å; L40-I81 HydrophobicContact CD1-CG2 4Å; L40-L84 HydrophobicContact CB-CB 4.44Å; L40-L84 HydrophobicContact CD1-CB 4.05Å
41Q94.4Very high93.8Very high141 Ų14173.6 Ų73.666%0.65938%0.381SS*.Hα-helixtrans-59.8-42.7176.7-172.717527.400112.2G37 R38 T44 A45G37-Q41 WeakPolarHBondContact O-CB 3.29Å; G37-Q41 PolarHBondContact O-N 2.75Å; R38-Q41 PolarHBondContact O-N 3.28Å; Q41-T44 PolarHBondContact O-N 2.78Å; Q41-A45 WeakPolarHBondContact O-CB 3.08Å; Q41-A45 PolarHBondContact O-N 3.37Å
42A96Very high94.1Very high49 Ų4968.9 Ų68.941%0.40538%0.376SS..Hα-helixtrans-63.1-45.9175.400000111.9R38 Q39 L40 T44 A45 D46R38-A42 WeakPolarHBondContact O-CB 3.48Å; R38-A42 PolarHBondContact O-N 3.39Å; Q39-A42 PolarHBondContact O-N 3.2Å; L40-A42 VanDerWaalsContact C-N 3.34Å; L40-A42 PolarHBondContact O-N 3.15Å; A42-T44 VanDerWaalsContact C-N 3.29Å; A42-T44 PolarHBondContact O-N 3.14Å; A42-A45 PolarHBondContact O-N 3.05Å; A42-A45 VanDerWaalsContact O-N 3.15Å; A42-D46 PolarHBondContact O-N 2.95Å
43A96.1Very high94.2Very high2 Ų270.1 Ų70.12%0.01738%0.38CS..Hα-helixtrans-62.6-35.9176.900000112.7Q39 L40 F47 K80 I81 L84Q39-A43 WeakPolarHBondContact O-CB 3.44Å; Q39-A43 PolarHBondContact O-N 3.08Å; L40-A43 PolarHBondContact O-N 3Å; A43-F47 WeakPolarHBondContact O-CB 3.45Å; A43-F47 PolarHBondContact O-N 3.11Å; A43-K80 HydrophobicContact CB-CD 4.11Å; A43-K80 HydrophobicContact CB-CG 4.17Å; A43-I81 HydrophobicContact CB-CG1 3.95Å; A43-L84 HydrophobicContact CB-CD1 3.77Å
44T96.7Very high94.4Very high51 Ų5170.6 Ų70.631%0.31338%0.38SS..Hα-helixtrans-68.5-38.9173.6-58.50000111.8L40 Q41 A42 F47 N48L40-T44 PolarHBondContact O-N 2.94Å; L40-T44 PolarHBondContact O-OG1 2.84Å; Q41-T44 PolarHBondContact O-N 2.78Å; A42-T44 VanDerWaalsContact C-N 3.29Å; A42-T44 PolarHBondContact O-N 3.14Å; T44-F47 PolarHBondContact O-N 2.89Å; T44-N48 WeakPolarHBondContact O-CB 3.2Å; T44-N48 VanDerWaalsContact O-CG 3.27Å; T44-N48 PolarHBondContact O-N 2.72Å; T44-N48 PolarHBondContact O-ND2 3.04Å
45A95.8Very high94.7Very high54 Ų5473.9 Ų73.945%0.44639%0.393SS..Hα-helixtrans-65.1-45.4175.300000111.7Q41 A42 F47 N48 A49Q41-A45 WeakPolarHBondContact O-CB 3.08Å; Q41-A45 PolarHBondContact O-N 3.37Å; A42-A45 PolarHBondContact O-N 3.05Å; A42-A45 VanDerWaalsContact O-N 3.15Å; A45-F47 VanDerWaalsContact C-N 3.33Å; A45-F47 PolarHBondContact O-N 3.33Å; A45-N48 PolarHBondContact O-N 2.94Å; A45-A49 WeakPolarHBondContact O-CB 3.42Å; A45-A49 PolarHBondContact O-N 3.15Å
46D94.8Very high94.7Very high70 Ų7069.5 Ų69.537%0.37439%0.389SS..Hα-helixtrans-55.2-49174.1-63-20.3000110.5A42 A49 E50 F77 K80A42-D46 PolarHBondContact O-N 2.95Å; D46-A49 PolarHBondContact O-N 3.1Å; D46-E50 WeakPolarHBondContact O-CB 3.22Å; D46-E50 PolarHBondContact O-N 2.83Å; D46-F77 HydrophobicContact CB-CD1 4.4Å; D46-F77 HydrophobicContact CB-CE1 4.19Å; D46-K80 IonicContact OD2-NZ 2.82Å; D46-K80 PolarHBondContact OD2-NZ 3.46Å
47F95.1Very high94.8Very high67 Ų6773.6 Ų73.629%0.29441%0.407SS..Hα-helixtrans-63.3-42179.1174.8-101.4000112.8A43 T44 A45 A51 F77 I78 I81A43-F47 WeakPolarHBondContact O-CB 3.45Å; A43-F47 PolarHBondContact O-N 3.11Å; T44-F47 PolarHBondContact O-N 2.89Å; A45-F47 VanDerWaalsContact C-N 3.33Å; A45-F47 PolarHBondContact O-N 3.33Å; F47-A51 WeakPolarHBondContact O-CB 3.42Å; F47-A51 PolarHBondContact O-N 3.39Å; F47-F77 HydrophobicContact CB-CB 4.41Å; F47-F77 HydrophobicContact CD2-CB 3.75Å; F47-F77 HydrophobicContact CD2-CG 4.5Å; F47-I78 HydrophobicContact CE2-CD1 4.44Å; F47-I78 HydrophobicContact CE2-CG1 3.94Å; F47-I78 HydrophobicContact CZ-CG1 4.45Å; F47-I81 HydrophobicContact CB-CD1 3.65Å; F47-I81 HydrophobicContact CD1-CD1 4.26Å; F47-I81 HydrophobicContact CG-CD1 3.91Å
48N95.5Very high95Very high94 Ų9475.8 Ų75.850%0.50341%0.412SS..Hα-helixtrans-66.7-39.4178.7-75.6-16.8000112T44 A45 S52T44-N48 WeakPolarHBondContact O-CB 3.2Å; T44-N48 VanDerWaalsContact O-CG 3.27Å; T44-N48 PolarHBondContact O-N 2.72Å; T44-N48 PolarHBondContact O-ND2 3.04Å; A45-N48 PolarHBondContact O-N 2.94Å; N48-S52 WeakPolarHBondContact O-CB 3.5Å; N48-S52 PolarHBondContact O-N 3.03Å
49A94.8Very high95.2Very high62 Ų6278.7 Ų78.751%0.51242%0.423SS..Hα-helixtrans-63.2-50.9176.200000110.7A45 D46 A51 S52 E53A45-A49 WeakPolarHBondContact O-CB 3.42Å; A45-A49 PolarHBondContact O-N 3.15Å; D46-A49 PolarHBondContact O-N 3.1Å; A49-A51 PolarHBondContact O-N 3.31Å; A49-S52 PolarHBondContact O-N 3.43Å; A49-E53 PolarHBondContact O-N 3.48Å
50E92.5Very high95.2Very high59 Ų5979.6 Ų79.628%0.27643%0.429SS..Hα-helixtrans-59.1-50177.2-170.673.4-162.900111D46 S52 E53 K54 F77D46-E50 WeakPolarHBondContact O-CB 3.22Å; D46-E50 PolarHBondContact O-N 2.83Å; E50-S52 VanDerWaalsContact C-N 3.29Å; E50-S52 PolarHBondContact O-N 3.23Å; E50-E53 PolarHBondContact O-N 3.41Å; E50-K54 HydrophobicContact CG-CG 4.46Å; E50-K54 VanDerWaalsContact O-CG 3.3Å; E50-K54 WeakPolarHBondContact O-CG 3.49Å; E50-K54 PolarHBondContact O-N 3.38Å; E50-K54 WeakPolarHBondContact OE1-CE 3.4Å; E50-K54 IonicContact OE1-NZ 3.48Å; E50-K54 PolarHBondContact OE1-NZ 3.45Å; E50-F77 HydrophobicContact CB-CE1 4.48Å; E50-F77 HydrophobicContact CB-CZ 4.34Å; E50-F77 HydrophobicContact CG-CE2 4.14Å; E50-F77 HydrophobicContact CG-CZ 4.07Å
51A94.1Very high95.2Very high29 Ų2978.6 Ų78.624%0.2442%0.424CS..Hα-helixtrans-60.3-39.9179.500000111.8F47 A49 L55F47-A51 WeakPolarHBondContact O-CB 3.42Å; F47-A51 PolarHBondContact O-N 3.39Å; A49-A51 PolarHBondContact O-N 3.31Å; A51-L55 VanDerWaalsContact O-CB 3.24Å; A51-L55 WeakPolarHBondContact O-CB 3.31Å; A51-L55 WeakPolarHBondContact O-CG 3.46Å; A51-L55 PolarHBondContact O-N 3.24Å
52S95.2Very high95.4Very high80 Ų8077.4 Ų77.456%0.55942%0.417SS*.Hα-helixtrans-64.2-43.2177.1-169.60000112N48 A49 E50 L55 S56N48-S52 WeakPolarHBondContact O-CB 3.5Å; N48-S52 PolarHBondContact O-N 3.03Å; A49-S52 PolarHBondContact O-N 3.43Å; E50-S52 VanDerWaalsContact C-N 3.29Å; E50-S52 PolarHBondContact O-N 3.23Å; S52-L55 PolarHBondContact O-N 3.03Å; S52-S56 WeakPolarHBondContact O-CB 3.36Å; S52-S56 PolarHBondContact O-N 3.5Å; S52-S56 PolarHBondContact O-OG 3.01Å
53E94.8Very high95.5Very high117 Ų11779.3 Ų79.355%0.54743%0.427SS..Hα-helixtrans-65-45.5177.3-176-178.8160.400111.9A49 E50 L55 S56 E57A49-E53 PolarHBondContact O-N 3.48Å; E50-E53 PolarHBondContact O-N 3.41Å; E53-L55 VanDerWaalsContact C-N 3.33Å; E53-L55 PolarHBondContact O-N 2.79Å; E53-S56 WeakPolarHBondContact CA-OG 3.42Å; E53-S56 PolarHBondContact O-N 3.34Å; E53-S56 PolarHBondContact O-OG 2.97Å; E53-E57 PolarHBondContact O-N 2.9Å; E53-E57 VanDerWaalsContact O-N 3.08Å
54K93.4Very high95.5Very high55 Ų5582.9 Ų82.924%0.23945%0.452CS..Hα-helixtrans-65.5-37.5177.6-60.9-51.9174.9168.70112.2E50 E57 I58 I61 E70E50-K54 HydrophobicContact CG-CG 4.46Å; E50-K54 VanDerWaalsContact O-CG 3.3Å; E50-K54 WeakPolarHBondContact O-CG 3.49Å; E50-K54 PolarHBondContact O-N 3.38Å; E50-K54 WeakPolarHBondContact OE1-CE 3.4Å; E50-K54 IonicContact OE1-NZ 3.48Å; E50-K54 PolarHBondContact OE1-NZ 3.45Å; K54-E57 CarbonylContact O-C 3.5Å; K54-E57 PolarHBondContact O-N 2.83Å; K54-I58 PolarHBondContact O-N 2.77Å; K54-I58 VanDerWaalsContact O-N 3.14Å; K54-I61 HydrophobicContact CB-CD1 3.81Å; K54-I61 HydrophobicContact CD-CD1 4.19Å; K54-I61 HydrophobicContact CG-CD1 4.47Å; K54-I61 VanDerWaalsContact O-CD1 3.23Å; K54-I61 WeakPolarHBondContact O-CD1 3.42Å; K54-E70 WeakPolarHBondContact CE-OE1 3.16Å; K54-E70 WeakPolarHBondContact CE-OE2 3.49Å; K54-E70 IonicContact NZ-OE1 3.64Å; K54-E70 PolarHBondContact NZ-OE1 3.13Å; K54-E70 IonicContact NZ-OE2 3.05Å
55L93.6Very high95.5Very high124 Ų12486.9 Ų86.965%0.64947%0.472SS*.Hα-helixtrans-73-35.7177.3-72.3173000112.3A51 S52 E53 E57 I58A51-L55 VanDerWaalsContact O-CB 3.24Å; A51-L55 WeakPolarHBondContact O-CB 3.31Å; A51-L55 WeakPolarHBondContact O-CG 3.46Å; A51-L55 PolarHBondContact O-N 3.24Å; S52-L55 PolarHBondContact O-N 3.03Å; E53-L55 VanDerWaalsContact C-N 3.33Å; E53-L55 PolarHBondContact O-N 2.79Å; L55-E57 VanDerWaalsContact C-N 3.25Å; L55-E57 PolarHBondContact O-N 3.46Å; L55-I58 WeakPolarHBondContact O-CB 3.49Å; L55-I58 PolarHBondContact O-N 2.85Å
56S94.8Very high95.4Very high78 Ų7885 Ų8555%0.54546%0.458SS..Hα-helixtrans-63.8-34.9173.458.60000111.6S52 E53S52-S56 WeakPolarHBondContact O-CB 3.36Å; S52-S56 PolarHBondContact O-N 3.5Å; S52-S56 PolarHBondContact O-OG 3.01Å; E53-S56 WeakPolarHBondContact CA-OG 3.42Å; E53-S56 PolarHBondContact O-N 3.34Å; E53-S56 PolarHBondContact O-OG 2.97Å
57E95.6Very high95.4Very high106 Ų10685 Ų8550%0.49546%0.455SS..THydrogen-bonded Turntrans-101.227.1179.5-59.1-53.5143.300113.9E53 K54 L55 R59 L60 I61E53-E57 PolarHBondContact O-N 2.9Å; E53-E57 VanDerWaalsContact O-N 3.08Å; K54-E57 CarbonylContact O-C 3.5Å; K54-E57 PolarHBondContact O-N 2.83Å; L55-E57 VanDerWaalsContact C-N 3.25Å; L55-E57 PolarHBondContact O-N 3.46Å; E57-R59 PolarHBondContact O-N 3.06Å; E57-L60 HydrophobicContact CB-CB 4.49Å; E57-L60 WeakPolarHBondContact O-CB 3.41Å; E57-L60 PolarHBondContact O-N 3.5Å; E57-I61 PolarHBondContact O-N 3.32Å
58I96.1Very high95.4Very high74 Ų7488.6 Ų88.638%0.37947%0.473SS..Hα-helixtrans-57.1-31.4-175.4-170.659.1000113.4K54 L55 L60 I61 K62K54-I58 PolarHBondContact O-N 2.77Å; K54-I58 VanDerWaalsContact O-N 3.14Å; L55-I58 WeakPolarHBondContact O-CB 3.49Å; L55-I58 PolarHBondContact O-N 2.85Å; I58-L60 VanDerWaalsContact C-N 3.34Å; I58-I61 HydrophobicContact CD1-CD1 4.48Å; I58-I61 PolarHBondContact O-N 2.79Å; I58-K62 HydrophobicContact CG1-CG 4.38Å; I58-K62 WeakPolarHBondContact O-CB 3.33Å; I58-K62 WeakPolarHBondContact O-CG 3.4Å; I58-K62 PolarHBondContact O-N 3.44Å
59R96.9Very high95.3Very high216 Ų21691.1 Ų91.182%0.81548%0.48SS*.Hα-helixtrans-64.7-38.7177.2-71.7-176.2178.6-1770.7111.9E57 K62 S63E57-R59 PolarHBondContact O-N 3.06Å; R59-K62 PolarHBondContact O-N 3Å; R59-S63 WeakPolarHBondContact O-CB 3.29Å; R59-S63 PolarHBondContact O-N 2.85Å; R59-S63 PolarHBondContact O-OG 3.23Å
60L97Very high95.3Very high103 Ų10390.1 Ų90.154%0.53946%0.464SS..Hα-helixtrans-68.8-41.7177.5177.462000111.2E57 I58 K62 S63 S64E57-L60 HydrophobicContact CB-CB 4.49Å; E57-L60 WeakPolarHBondContact O-CB 3.41Å; E57-L60 PolarHBondContact O-N 3.5Å; I58-L60 VanDerWaalsContact C-N 3.34Å; L60-K62 VanDerWaalsContact C-N 3.31Å; L60-K62 PolarHBondContact O-N 2.81Å; L60-S63 WeakPolarHBondContact CA-OG 3.48Å; L60-S63 PolarHBondContact O-N 2.88Å; L60-S63 PolarHBondContact O-OG 3.48Å; L60-S63 VanDerWaalsContact O-OG 3.06Å; L60-S64 VanDerWaalsContact O-CB 3.22Å; L60-S64 WeakPolarHBondContact O-CB 3.48Å; L60-S64 PolarHBondContact O-N 3.23Å; L60-S64 PolarHBondContact O-OG 3.2Å
61I96.5Very high95.3Very high20 Ų2095 Ų9510%0.10349%0.485CS..Hα-helixtrans-59.3-47.9175.3-60.8173.2000109.3K54 E57 I58 S64 N65 G66 E67 E70K54-I61 HydrophobicContact CB-CD1 3.81Å; K54-I61 HydrophobicContact CD-CD1 4.19Å; K54-I61 HydrophobicContact CG-CD1 4.47Å; K54-I61 VanDerWaalsContact O-CD1 3.23Å; K54-I61 WeakPolarHBondContact O-CD1 3.42Å; E57-I61 PolarHBondContact O-N 3.32Å; I58-I61 HydrophobicContact CD1-CD1 4.48Å; I58-I61 PolarHBondContact O-N 2.79Å; I61-S64 PolarHBondContact O-N 3.38Å; I61-N65 PolarHBondContact O-N 2.67Å; I61-N65 VanDerWaalsContact O-N 3.13Å; I61-G66 PolarHBondContact O-N 3.15Å; I61-E67 HydrophobicContact CG2-CG 4.05Å; I61-E70 HydrophobicContact CD1-CG 4.17Å; I61-E70 HydrophobicContact CG1-CG 4.44Å; I61-E70 HydrophobicContact CG2-CG 4.21Å
62K97.5Very high95.2Very high116 Ų11698.8 Ų98.850%0.50450%0.501SS..Hα-helixtrans-62.8-45.4178.4-72.5-81.3163.3-163.40112.8I58 R59 L60 S64 N65 E67I58-K62 HydrophobicContact CG1-CG 4.38Å; I58-K62 WeakPolarHBondContact O-CB 3.33Å; I58-K62 WeakPolarHBondContact O-CG 3.4Å; I58-K62 PolarHBondContact O-N 3.44Å; R59-K62 PolarHBondContact O-N 3Å; L60-K62 VanDerWaalsContact C-N 3.31Å; L60-K62 PolarHBondContact O-N 2.81Å; K62-S64 PolarHBondContact O-N 2.85Å; K62-N65 PolarHBondContact O-N 2.79Å; K62-E67 WeakPolarHBondContact CD-OE1 3.49Å; K62-E67 VanDerWaalsContact CE-OE1 3.24Å; K62-E67 WeakPolarHBondContact CE-OE1 3.11Å; K62-E67 IonicContact NZ-OE1 2.91Å; K62-E67 PolarHBondContact NZ-OE1 2.86Å
63S97.7Very high94.9Very high89 Ų8996.7 Ų96.762%0.62249%0.486SS*.Hα-helixtrans-69-24.9-179.964.60000112.8R59 L60R59-S63 WeakPolarHBondContact O-CB 3.29Å; R59-S63 PolarHBondContact O-N 2.85Å; R59-S63 PolarHBondContact O-OG 3.23Å; L60-S63 WeakPolarHBondContact CA-OG 3.48Å; L60-S63 PolarHBondContact O-N 2.88Å; L60-S63 PolarHBondContact O-OG 3.48Å; L60-S63 VanDerWaalsContact O-OG 3.06Å
64S96.9Very high94.7Very high76 Ų7692.1 Ų92.153%0.53147%0.47SS..THydrogen-bonded Turntrans-95.62.9179.1-50.10000113.6L60 I61 K62 G66L60-S64 VanDerWaalsContact O-CB 3.22Å; L60-S64 WeakPolarHBondContact O-CB 3.48Å; L60-S64 PolarHBondContact O-N 3.23Å; L60-S64 PolarHBondContact O-OG 3.2Å; I61-S64 PolarHBondContact O-N 3.38Å; K62-S64 PolarHBondContact O-N 2.85Å; S64-G66 PolarHBondContact O-N 3Å
65N96.1Very high94.6Very high136 Ų13690.7 Ų90.773%0.72747%0.472SS*.THydrogen-bonded Turntrans50.935.8-170.9-56.9-50.5000113.1I61 K62 E67I61-N65 PolarHBondContact O-N 2.67Å; I61-N65 VanDerWaalsContact O-N 3.13Å; K62-N65 PolarHBondContact O-N 2.79Å; N65-E67 VanDerWaalsContact C-N 3.33Å; N65-E67 WeakPolarHBondContact CA-OE2 3.39Å; N65-E67 PolarHBondContact O-N 3.16Å
66G95.2Very high94.5Very high15 Ų1588.2 Ų88.216%0.15546%0.464CS..  trans-81.9-1.4-173.200000114.8I61 S64 E68 F69 E70I61-G66 PolarHBondContact O-N 3.15Å; S64-G66 PolarHBondContact O-N 3Å; G66-E68 VanDerWaalsContact C-N 3.33Å; G66-E68 PolarHBondContact O-N 2.9Å; G66-F69 WeakPolarHBondContact O-CB 3.42Å; G66-F69 PolarHBondContact O-N 2.9Å; G66-E70 WeakPolarHBondContact O-CG 3.35Å; G66-E70 PolarHBondContact O-N 3.36Å
67E94.9Very high94.4Very high68 Ų6886.9 Ų86.932%0.31845%0.449SS..Hα-helixtrans-61.4-38.4-171.5-61.397.9126.200113.5I61 K62 N65 E70 K71I61-E67 HydrophobicContact CG2-CG 4.05Å; K62-E67 WeakPolarHBondContact CD-OE1 3.49Å; K62-E67 VanDerWaalsContact CE-OE1 3.24Å; K62-E67 WeakPolarHBondContact CE-OE1 3.11Å; K62-E67 IonicContact NZ-OE1 2.91Å; K62-E67 PolarHBondContact NZ-OE1 2.86Å; N65-E67 VanDerWaalsContact C-N 3.33Å; N65-E67 WeakPolarHBondContact CA-OE2 3.39Å; N65-E67 PolarHBondContact O-N 3.16Å; E67-E70 PolarHBondContact O-N 3.08Å; E67-K71 VanDerWaalsContact O-CB 3.26Å; E67-K71 WeakPolarHBondContact O-CB 3.49Å; E67-K71 PolarHBondContact O-N 2.83Å
68E94.9Very high94.4Very high144 Ų14486.5 Ų86.567%0.67345%0.449SS*.Hα-helixtrans-69.7-40.3178.5-173.8172.2-16900111.3G66 K71 N72G66-E68 VanDerWaalsContact C-N 3.33Å; G66-E68 PolarHBondContact O-N 2.9Å; E68-K71 PolarHBondContact O-N 2.86Å; E68-N72 WeakPolarHBondContact O-CB 3.23Å; E68-N72 VanDerWaalsContact O-CG 3.23Å; E68-N72 PolarHBondContact O-N 2.78Å; E68-N72 PolarHBondContact O-ND2 2.86Å
69F93.8Very high94.4Very high146 Ų14687.4 Ų87.464%0.6446%0.455SS*.Hα-helixtrans-59.2-49173.7176.9-95.3000110.7G66 K71 N72 S73G66-F69 WeakPolarHBondContact O-CB 3.42Å; G66-F69 PolarHBondContact O-N 2.9Å; F69-K71 PolarHBondContact O-N 3.27Å; F69-N72 PolarHBondContact O-N 2.85Å; F69-S73 WeakPolarHBondContact O-CB 3.29Å; F69-S73 PolarHBondContact O-N 3.02Å; F69-S73 PolarHBondContact O-OG 3.47Å
70E93.7Very high94.3Very high41 Ų4181.6 Ų81.619%0.19244%0.436CS..Hα-helixtrans-69.4-33.1-178.6-65.3-63.4177.400113.1K54 I61 G66 E67 S73 G74K54-E70 WeakPolarHBondContact CE-OE1 3.16Å; K54-E70 WeakPolarHBondContact CE-OE2 3.49Å; K54-E70 IonicContact NZ-OE1 3.64Å; K54-E70 PolarHBondContact NZ-OE1 3.13Å; K54-E70 IonicContact NZ-OE2 3.05Å; I61-E70 HydrophobicContact CD1-CG 4.17Å; I61-E70 HydrophobicContact CG1-CG 4.44Å; I61-E70 HydrophobicContact CG2-CG 4.21Å; G66-E70 WeakPolarHBondContact O-CG 3.35Å; G66-E70 PolarHBondContact O-N 3.36Å; E67-E70 PolarHBondContact O-N 3.08Å; E70-S73 VanDerWaalsContact CA-OG 3.31Å; E70-S73 WeakPolarHBondContact CA-OG 3.48Å; E70-S73 PolarHBondContact O-OG 2.87Å; E70-S73 PolarHBondContact OE2-OG 3.42Å; E70-G74 PolarHBondContact O-N 3.02Å
71K92.4Very high94.3Very high162 Ų16278.6 Ų78.670%0.70442%0.42SS*.Hα-helixtrans-63.5-44.1171.8-179.1-177.1175.7-173.50111.4E67 E68 F69 G75E67-K71 VanDerWaalsContact O-CB 3.26Å; E67-K71 WeakPolarHBondContact O-CB 3.49Å; E67-K71 PolarHBondContact O-N 2.83Å; E68-K71 PolarHBondContact O-N 2.86Å; F69-K71 PolarHBondContact O-N 3.27Å; K71-G75 PolarHBondContact O-N 3.26Å
72N92.1Very high94.4Very high108 Ų10883.5 Ų83.558%0.57844%0.44SS*.Hα-helixtrans-71.5-42.2-178.5-71-25.6000111.7E68 F69 G75E68-N72 WeakPolarHBondContact O-CB 3.23Å; E68-N72 VanDerWaalsContact O-CG 3.23Å; E68-N72 PolarHBondContact O-N 2.78Å; E68-N72 PolarHBondContact O-ND2 2.86Å; F69-N72 PolarHBondContact O-N 2.85Å; N72-G75 PolarHBondContact O-N 2.81Å
73S90.3Very high94.4Very high37 Ų3782.1 Ų82.126%0.25944%0.439SS..Hα-helixtrans-64.3-44.7175.267.30000111.3F69 E70 G75 S76F69-S73 WeakPolarHBondContact O-CB 3.29Å; F69-S73 PolarHBondContact O-N 3.02Å; F69-S73 PolarHBondContact O-OG 3.47Å; E70-S73 VanDerWaalsContact CA-OG 3.31Å; E70-S73 WeakPolarHBondContact CA-OG 3.48Å; E70-S73 PolarHBondContact O-OG 2.87Å; E70-S73 PolarHBondContact OE2-OG 3.42Å; S73-G75 PolarHBondContact O-N 2.87Å; S73-S76 WeakPolarHBondContact O-CB 3.4Å; S73-S76 PolarHBondContact O-N 3.15Å; S73-S76 VanDerWaalsContact O-N 3.08Å; S73-S76 PolarHBondContact O-OG 3.34Å
74G90.3Very high94.4Very high20 Ų2078.9 Ų78.921%0.20641%0.414CS..Hα-helixtrans-61.5-29.4179.400000113.8E70 S76 F77 I78E70-G74 PolarHBondContact O-N 3.02Å; G74-S76 PolarHBondContact O-N 3.41Å; G74-F77 PolarHBondContact O-N 3.38Å; G74-F77 VanDerWaalsContact O-N 3.14Å; G74-I78 PolarHBondContact O-N 3.04Å
75G91.1Very high94.4Very high26 Ų2676.4 Ų76.427%0.26840%0.401SS..Hα-helixtrans-56.7-30.8173.900000113.5K71 N72 S73 N79K71-G75 PolarHBondContact O-N 3.26Å; N72-G75 PolarHBondContact O-N 2.81Å; S73-G75 PolarHBondContact O-N 2.87Å; G75-N79 VanDerWaalsContact O-CB 3.28Å; G75-N79 WeakPolarHBondContact O-CB 3.33Å; G75-N79 PolarHBondContact O-N 2.78Å; G75-N79 PolarHBondContact O-ND2 2.92Å; G75-N79 VanDerWaalsContact O-ND2 3.12Å
76S91.4Very high94.5Very high71 Ų7173.1 Ų73.150%0.49738%0.382SS..Hα-helixtrans-67.3-40.5177.271.80000112.6S73 G74 N79 K80S73-S76 WeakPolarHBondContact O-CB 3.4Å; S73-S76 PolarHBondContact O-N 3.15Å; S73-S76 VanDerWaalsContact O-N 3.08Å; S73-S76 PolarHBondContact O-OG 3.34Å; G74-S76 PolarHBondContact O-N 3.41Å; S76-N79 PolarHBondContact O-N 3.3Å; S76-K80 WeakPolarHBondContact O-CB 3.35Å; S76-K80 PolarHBondContact O-N 2.87Å
77F92.3Very high94.6Very high51 Ų5178.2 Ų78.222%0.22440%0.4CS..Hα-helixtrans-66.4-46.5176.6-71.3-93.5000111.3D46 F47 E50 G74 N79 K80 I81D46-F77 HydrophobicContact CB-CD1 4.4Å; D46-F77 HydrophobicContact CB-CE1 4.19Å; F47-F77 HydrophobicContact CB-CB 4.41Å; F47-F77 HydrophobicContact CD2-CB 3.75Å; F47-F77 HydrophobicContact CD2-CG 4.5Å; E50-F77 HydrophobicContact CB-CE1 4.48Å; E50-F77 HydrophobicContact CB-CZ 4.34Å; E50-F77 HydrophobicContact CG-CE2 4.14Å; E50-F77 HydrophobicContact CG-CZ 4.07Å; G74-F77 PolarHBondContact O-N 3.38Å; G74-F77 VanDerWaalsContact O-N 3.14Å; F77-N79 VanDerWaalsContact C-N 3.31Å; F77-N79 PolarHBondContact O-N 3.46Å; F77-K80 WeakPolarHBondContact O-CB 3.41Å; F77-K80 PolarHBondContact O-N 2.83Å; F77-K80 VanDerWaalsContact O-N 3.17Å; F77-I81 WeakPolarHBondContact O-CG1 3.44Å; F77-I81 PolarHBondContact O-N 2.97Å
78I95Very high94.5Very high97 Ų9776.4 Ų76.450%0.49739%0.393SS..Hα-helixtrans-60.6-44177.2-64.7-178.6000110.3F47 G74 K80 I81 F82F47-I78 HydrophobicContact CE2-CD1 4.44Å; F47-I78 HydrophobicContact CE2-CG1 3.94Å; F47-I78 HydrophobicContact CZ-CG1 4.45Å; G74-I78 PolarHBondContact O-N 3.04Å; I78-K80 VanDerWaalsContact C-N 3.33Å; I78-K80 PolarHBondContact O-N 2.67Å; I78-I81 PolarHBondContact O-N 3.45Å; I78-F82 WeakPolarHBondContact O-CB 3.08Å; I78-F82 PolarHBondContact O-N 3.18Å
79N96Very high94.6Very high93 Ų9371.8 Ų71.850%0.49738%0.38SS..Hα-helixtrans-63.8-36.8177.4-78-30.3000112.5G75 S76 F77 N83G75-N79 VanDerWaalsContact O-CB 3.28Å; G75-N79 WeakPolarHBondContact O-CB 3.33Å; G75-N79 PolarHBondContact O-N 2.78Å; G75-N79 PolarHBondContact O-ND2 2.92Å; G75-N79 VanDerWaalsContact O-ND2 3.12Å; S76-N79 PolarHBondContact O-N 3.3Å; F77-N79 VanDerWaalsContact C-N 3.31Å; F77-N79 PolarHBondContact O-N 3.46Å; N79-N83 VanDerWaalsContact O-CB 3.28Å; N79-N83 WeakPolarHBondContact O-CB 3.45Å; N79-N83 VanDerWaalsContact O-CG 3.25Å; N79-N83 PolarHBondContact O-N 3.44Å; N79-N83 PolarHBondContact O-ND2 3.06Å
80K95.7Very high94.7Very high95 Ų9571.5 Ų71.541%0.41338%0.378SS..Hα-helixtrans-62.4-48.5174-176.1-176176.3-1680110.7A43 D46 S76 F77 I78 N83 L84A43-K80 HydrophobicContact CB-CD 4.11Å; A43-K80 HydrophobicContact CB-CG 4.17Å; D46-K80 IonicContact OD2-NZ 2.82Å; D46-K80 PolarHBondContact OD2-NZ 3.46Å; S76-K80 WeakPolarHBondContact O-CB 3.35Å; S76-K80 PolarHBondContact O-N 2.87Å; F77-K80 WeakPolarHBondContact O-CB 3.41Å; F77-K80 PolarHBondContact O-N 2.83Å; F77-K80 VanDerWaalsContact O-N 3.17Å; I78-K80 VanDerWaalsContact C-N 3.33Å; I78-K80 PolarHBondContact O-N 2.67Å; K80-N83 PolarHBondContact O-N 3.41Å; K80-L84 HydrophobicContact CG-CD1 4.14Å; K80-L84 WeakPolarHBondContact O-CB 3.4Å; K80-L84 WeakPolarHBondContact O-CG 3.13Å; K80-L84 PolarHBondContact O-N 3.13Å
81I97.2Very high94.7Very high40 Ų4071 Ų7121%0.20538%0.378CS..Hα-helixtrans-60.1-49.4176.5-67.6171.4000110.4L40 A43 F47 F77 I78 N83 L84 G85L40-I81 HydrophobicContact CD1-CG2 4Å; A43-I81 HydrophobicContact CB-CG1 3.95Å; F47-I81 HydrophobicContact CB-CD1 3.65Å; F47-I81 HydrophobicContact CD1-CD1 4.26Å; F47-I81 HydrophobicContact CG-CD1 3.91Å; F77-I81 WeakPolarHBondContact O-CG1 3.44Å; F77-I81 PolarHBondContact O-N 2.97Å; I78-I81 PolarHBondContact O-N 3.45Å; I81-N83 PolarHBondContact O-N 3.25Å; I81-L84 PolarHBondContact O-N 3.18Å; I81-G85 PolarHBondContact O-N 2.98Å
82F97.7Very high94.6Very high122 Ų12268.7 Ų68.754%0.53537%0.369SS..Hα-helixtrans-58.6-49.2179.7178.7-98.8000111.9I78 L84 G85 I86I78-F82 WeakPolarHBondContact O-CB 3.08Å; I78-F82 PolarHBondContact O-N 3.18Å; F82-L84 VanDerWaalsContact C-N 3.33Å; F82-L84 PolarHBondContact O-N 2.96Å; F82-G85 PolarHBondContact O-N 3.11Å; F82-I86 HydrophobicContact CD1-CG1 4.19Å; F82-I86 HydrophobicContact CD2-CG1 4.36Å; F82-I86 HydrophobicContact CE1-CD1 4.49Å; F82-I86 HydrophobicContact CE1-CG1 3.79Å; F82-I86 HydrophobicContact CE2-CD1 4.06Å; F82-I86 HydrophobicContact CE2-CG1 3.97Å; F82-I86 HydrophobicContact CG-CG1 4.46Å; F82-I86 HydrophobicContact CZ-CD1 3.89Å; F82-I86 HydrophobicContact CZ-CG1 3.67Å; F82-I86 WeakPolarHBondContact O-CG1 3.45Å; F82-I86 PolarHBondContact O-N 3.48Å
83N97.8Very high94.7Very high88 Ų8866.9 Ų66.947%0.47137%0.369SS..Hα-helixtrans-64.7-36.9-179.4-76.5-43.4000112.7N79 K80 I81 K87N79-N83 VanDerWaalsContact O-CB 3.28Å; N79-N83 WeakPolarHBondContact O-CB 3.45Å; N79-N83 VanDerWaalsContact O-CG 3.25Å; N79-N83 PolarHBondContact O-N 3.44Å; N79-N83 PolarHBondContact O-ND2 3.06Å; K80-N83 PolarHBondContact O-N 3.41Å; I81-N83 PolarHBondContact O-N 3.25Å; N83-K87 WeakPolarHBondContact O-CG 3.27Å; N83-K87 PolarHBondContact O-N 3.23Å
84L97.2Very high94.8Very high21 Ų2170.8 Ų70.811%0.1139%0.385CS..Hα-helixtrans-68.6-44.2173.6-72.7169.6000111.2Q39 L40 A43 K80 I81 F82 I86 K87 D88Q39-L84 HydrophobicContact CB-CD1 4.17Å; Q39-L84 HydrophobicContact CB-CD2 3.93Å; L40-L84 HydrophobicContact CB-CB 4.44Å; L40-L84 HydrophobicContact CD1-CB 4.05Å; A43-L84 HydrophobicContact CB-CD1 3.77Å; K80-L84 HydrophobicContact CG-CD1 4.14Å; K80-L84 WeakPolarHBondContact O-CB 3.4Å; K80-L84 WeakPolarHBondContact O-CG 3.13Å; K80-L84 PolarHBondContact O-N 3.13Å; I81-L84 PolarHBondContact O-N 3.18Å; F82-L84 VanDerWaalsContact C-N 3.33Å; F82-L84 PolarHBondContact O-N 2.96Å; L84-I86 PolarHBondContact O-N 3.19Å; L84-K87 WeakPolarHBondContact O-CB 3.39Å; L84-K87 PolarHBondContact O-N 3.42Å; L84-D88 WeakPolarHBondContact O-CB 3.44Å; L84-D88 PolarHBondContact O-N 3.32Å
85G97.1Very high94.7Very high24 Ų2471.6 Ų71.625%0.24738%0.384CS..Hα-helixtrans-61-42.417700000112.7I81 F82 K87 D88 A89I81-G85 PolarHBondContact O-N 2.98Å; F82-G85 PolarHBondContact O-N 3.11Å; G85-K87 PolarHBondContact O-N 3.29Å; G85-D88 PolarHBondContact O-N 3.18Å; G85-A89 VanDerWaalsContact O-CB 3.27Å; G85-A89 WeakPolarHBondContact O-CB 3.34Å; G85-A89 PolarHBondContact O-N 3.22Å
86I97.8Very high94.6Very high67 Ų6776.5 Ų76.534%0.34440%0.4SS..Hα-helixtrans-64.1-39.8174.5-68.2-65.8000111.5F82 L84 K90F82-I86 HydrophobicContact CD1-CG1 4.19Å; F82-I86 HydrophobicContact CD2-CG1 4.36Å; F82-I86 HydrophobicContact CE1-CD1 4.49Å; F82-I86 HydrophobicContact CE1-CG1 3.79Å; F82-I86 HydrophobicContact CE2-CD1 4.06Å; F82-I86 HydrophobicContact CE2-CG1 3.97Å; F82-I86 HydrophobicContact CG-CG1 4.46Å; F82-I86 HydrophobicContact CZ-CD1 3.89Å; F82-I86 HydrophobicContact CZ-CG1 3.67Å; F82-I86 WeakPolarHBondContact O-CG1 3.45Å; F82-I86 PolarHBondContact O-N 3.48Å; L84-I86 PolarHBondContact O-N 3.19Å; I86-K90 HydrophobicContact CG2-CD 4.26Å; I86-K90 WeakPolarHBondContact O-CB 3.43Å; I86-K90 VanDerWaalsContact O-CG 3.26Å; I86-K90 WeakPolarHBondContact O-CG 3.31Å; I86-K90 PolarHBondContact O-N 3.2Å
87K97.2Very high94.8Very high121 Ų12176.7 Ų76.753%0.52640%0.4SS..Hα-helixtrans-64.6-43.2175.5-75.4175.1-176.4178.90111.4L36 N83 L84 G85 K90 V91L36-K87 HydrophobicContact CD1-CB 4.32Å; L36-K87 HydrophobicContact CD2-CB 4.09Å; N83-K87 WeakPolarHBondContact O-CG 3.27Å; N83-K87 PolarHBondContact O-N 3.23Å; L84-K87 WeakPolarHBondContact O-CB 3.39Å; L84-K87 PolarHBondContact O-N 3.42Å; G85-K87 PolarHBondContact O-N 3.29Å; K87-K90 PolarHBondContact O-N 3.27Å; K87-V91 WeakPolarHBondContact O-CG2 3.44Å; K87-V91 PolarHBondContact O-N 2.91Å
88D94.5Very high94.7Very high30 Ų3076.3 Ų76.316%0.1640%0.399CS..Hα-helixtrans-62.9-50.6177.7-164.760.1000111.2L36 L84 G85 K90 V91 E92L36-D88 HydrophobicContact CB-CB 4.36Å; L84-D88 WeakPolarHBondContact O-CB 3.44Å; L84-D88 PolarHBondContact O-N 3.32Å; G85-D88 PolarHBondContact O-N 3.18Å; D88-K90 VanDerWaalsContact C-N 3.3Å; D88-K90 PolarHBondContact O-N 2.91Å; D88-V91 PolarHBondContact O-N 3Å; D88-E92 PolarHBondContact O-N 2.62Å
89A95.6Very high94.4Very high48 Ų4873.4 Ų73.440%0.39739%0.385SS..Hα-helixtrans-59.8-36.417700000113G85 E92 A93G85-A89 VanDerWaalsContact O-CB 3.27Å; G85-A89 WeakPolarHBondContact O-CB 3.34Å; G85-A89 PolarHBondContact O-N 3.22Å; A89-E92 PolarHBondContact O-N 3.49Å; A89-A93 VanDerWaalsContact O-CB 3.23Å; A89-A93 WeakPolarHBondContact O-CB 3.49Å; A89-A93 PolarHBondContact O-N 3.01Å
90K96.3Very high94.2Very high140 Ų14072 Ų7261%0.60938%0.38SS*.Hα-helixtrans-63.5-41.5174.2-81.3177.6-179.6-176.50112.1I86 K87 D88 M94I86-K90 HydrophobicContact CG2-CD 4.26Å; I86-K90 WeakPolarHBondContact O-CB 3.43Å; I86-K90 VanDerWaalsContact O-CG 3.26Å; I86-K90 WeakPolarHBondContact O-CG 3.31Å; I86-K90 PolarHBondContact O-N 3.2Å; K87-K90 PolarHBondContact O-N 3.27Å; D88-K90 VanDerWaalsContact C-N 3.3Å; D88-K90 PolarHBondContact O-N 2.91Å; K90-M94 WeakPolarHBondContact O-CG 3.44Å; K90-M94 PolarHBondContact O-N 3Å
91V93.6Very high94Very high31 Ų3172.1 Ų72.119%0.18839%0.389CS..Hα-helixtrans-69.5-42.1177.9178.20000110.3I29 I32 M33 L36 K87 D88 M94I29-V91 HydrophobicContact CG2-CG1 3.76Å; I32-V91 HydrophobicContact CG2-CG1 4.48Å; I32-V91 HydrophobicContact CG2-CG2 4.18Å; M33-V91 HydrophobicContact CG-CB 4.25Å; M33-V91 HydrophobicContact CG-CG1 3.4Å; M33-V91 VanDerWaalsContact CG-CG1 3.4Å; M33-V91 HydrophobicContact SD-CG1 4.24Å; L36-V91 HydrophobicContact CD1-CG2 3.82Å; K87-V91 WeakPolarHBondContact O-CG2 3.44Å; K87-V91 PolarHBondContact O-N 2.91Å; D88-V91 PolarHBondContact O-N 3Å; V91-M94 PolarHBondContact O-N 2.92Å
92E90.9Very high93.7Very high113 Ų11371.3 Ų71.353%0.52839%0.385SS..Hα-helixtrans-60.6-45.9175.5-172.4178-175.500112M33 D88 A89 M94 L95M33-E92 HydrophobicContact CE-CB 4.08Å; M33-E92 HydrophobicContact CE-CG 4.3Å; D88-E92 PolarHBondContact O-N 2.62Å; A89-E92 PolarHBondContact O-N 3.49Å; E92-M94 PolarHBondContact O-N 2.95Å; E92-L95 HydrophobicContact CG-CD1 4.48Å; E92-L95 VanDerWaalsContact O-CB 3.27Å; E92-L95 WeakPolarHBondContact O-CB 3.18Å; E92-L95 PolarHBondContact O-N 3.3Å
93A94Very high93.3Very high70 Ų7067.2 Ų67.258%0.57937%0.368SS*.Hα-helixtrans-61.3-26.3179.600000113.3A89 L95 P97A89-A93 VanDerWaalsContact O-CB 3.23Å; A89-A93 WeakPolarHBondContact O-CB 3.49Å; A89-A93 PolarHBondContact O-N 3.01Å; A93-L95 VanDerWaalsContact C-N 3.35Å; A93-P97 WeakPolarHBondContact O-CD 3.44Å
94M92.3Very high93Very high118 Ų11867.6 Ų67.658%0.58137%0.37SS*.Hα-helixtrans-77.1-18.2175.7-69-175.780.700113.4K90 V91 E92 P97 I98K90-M94 WeakPolarHBondContact O-CG 3.44Å; K90-M94 PolarHBondContact O-N 3Å; V91-M94 PolarHBondContact O-N 2.92Å; E92-M94 PolarHBondContact O-N 2.95Å; M94-P97 WeakPolarHBondContact O-CD 3.28Å; M94-I98 HydrophobicContact CB-CD1 4.13Å; M94-I98 WeakPolarHBondContact O-CB 3.35Å; M94-I98 WeakPolarHBondContact O-CD1 3.37Å; M94-I98 WeakPolarHBondContact O-CG1 3.36Å; M94-I98 PolarHBondContact O-N 3.22Å; M94-I98 VanDerWaalsContact O-N 3.15Å
95L88.9Confident92.8Very high37 Ų3768.9 Ų68.919%0.19439%0.388CS..Hα-helixtrans-61.2-50-177.1-72.1175.1000112.4M26 I29 M33 E92 A93 I98 I99M26-L95 HydrophobicContact CE-CD2 4.16Å; M26-L95 HydrophobicContact SD-CD2 3.73Å; I29-L95 HydrophobicContact CB-CD2 4.49Å; I29-L95 HydrophobicContact CG2-CD2 3.6Å; M33-L95 HydrophobicContact CE-CD1 4.02Å; M33-L95 HydrophobicContact SD-CD1 3.73Å; M33-L95 HydrophobicContact SD-CD2 4.38Å; M33-L95 HydrophobicContact SD-CG 4.3Å; E92-L95 HydrophobicContact CG-CD1 4.48Å; E92-L95 VanDerWaalsContact O-CB 3.27Å; E92-L95 WeakPolarHBondContact O-CB 3.18Å; E92-L95 PolarHBondContact O-N 3.3Å; A93-L95 VanDerWaalsContact C-N 3.35Å; L95-I98 PolarHBondContact O-N 3.27Å; L95-I99 WeakPolarHBondContact O-CB 3.39Å; L95-I99 VanDerWaalsContact O-CG1 3.26Å; L95-I99 WeakPolarHBondContact O-CG1 3.46Å; L95-I99 PolarHBondContact O-N 3.49Å
96Q89.1Confident92.5Very high130 Ų13068.9 Ų68.961%0.60738%0.382SS*.Hα-helixtrans-61.4-52.2-177-76.7-64.8-10.200112.1I98 I99 T100Q96-I98 VanDerWaalsContact C-N 3.29Å; Q96-I98 PolarHBondContact O-N 2.81Å; Q96-I99 PolarHBondContact O-N 3.38Å; Q96-T100 WeakPolarHBondContact O-CB 3.42Å; Q96-T100 PolarHBondContact O-N 3.47Å; Q96-T100 PolarHBondContact O-OG1 3.27Å
97P93.9Very high92.3Very high74 Ų7468.3 Ų68.348%0.48138%0.378SS..Hα-helixtrans-55.5-40.8174.9-2734.5000113.7A93 M94 T101A93-P97 WeakPolarHBondContact O-CD 3.44Å; M94-P97 WeakPolarHBondContact O-CD 3.28Å; P97-T101 VanDerWaalsContact O-CB 3.24Å; P97-T101 WeakPolarHBondContact O-CB 3.31Å; P97-T101 PolarHBondContact O-N 3.23Å; P97-T101 PolarHBondContact O-OG1 3.18Å
98I91.7Very high92.2Very high43 Ų4367.2 Ų67.222%0.22138%0.381CS..Hα-helixtrans-65.5-47.6178.6-70.1169.4000110.7I25 M26 I29 M94 L95 Q96 T100 T101 V102I25-I98 HydrophobicContact CG2-CG2 3.52Å; M26-I98 HydrophobicContact CE-CB 4.37Å; M26-I98 HydrophobicContact CE-CG2 3.72Å; I29-I98 HydrophobicContact CD1-CD1 3.7Å; M94-I98 HydrophobicContact CB-CD1 4.13Å; M94-I98 WeakPolarHBondContact O-CB 3.35Å; M94-I98 WeakPolarHBondContact O-CD1 3.37Å; M94-I98 WeakPolarHBondContact O-CG1 3.36Å; M94-I98 PolarHBondContact O-N 3.22Å; M94-I98 VanDerWaalsContact O-N 3.15Å; L95-I98 PolarHBondContact O-N 3.27Å; Q96-I98 VanDerWaalsContact C-N 3.29Å; Q96-I98 PolarHBondContact O-N 2.81Å; I98-T100 PolarHBondContact O-N 2.84Å; I98-T101 PolarHBondContact O-N 3.1Å; I98-V102 VanDerWaalsContact O-CG2 3.31Å; I98-V102 WeakPolarHBondContact O-CG2 3.36Å; I98-V102 PolarHBondContact O-N 3.17Å
99I88.4Confident92.1Very high37 Ų3767.5 Ų67.519%0.1939%0.391CS..Hα-helixtrans-60.1-48.5178.2-69167.6000110.2M22 M26 L95 Q96 T101 V102 M103M22-I99 HydrophobicContact CE-CG1 4.45Å; M22-I99 HydrophobicContact SD-CG1 4.46Å; M26-I99 HydrophobicContact CE-CD1 4.18Å; M26-I99 HydrophobicContact CE-CG1 3.52Å; L95-I99 WeakPolarHBondContact O-CB 3.39Å; L95-I99 VanDerWaalsContact O-CG1 3.26Å; L95-I99 WeakPolarHBondContact O-CG1 3.46Å; L95-I99 PolarHBondContact O-N 3.49Å; Q96-I99 PolarHBondContact O-N 3.38Å; I99-T101 PolarHBondContact O-N 3.11Å; I99-V102 PolarHBondContact O-N 3.22Å; I99-M103 HydrophobicContact CG2-CE 4.15Å; I99-M103 VanDerWaalsContact O-CB 3.23Å; I99-M103 WeakPolarHBondContact O-CB 3.4Å; I99-M103 PolarHBondContact O-N 2.91Å
100T91.1Very high91.9Very high64 Ų6465.3 Ų65.339%0.39337%0.372SS..Hα-helixtrans-63.4-40.4179.2-54.30000111.7Q96 I98 M103 L104Q96-T100 WeakPolarHBondContact O-CB 3.42Å; Q96-T100 PolarHBondContact O-N 3.47Å; Q96-T100 PolarHBondContact O-OG1 3.27Å; I98-T100 PolarHBondContact O-N 2.84Å; T100-M103 PolarHBondContact O-N 2.79Å; T100-L104 HydrophobicContact CG2-CD1 3.99Å; T100-L104 HydrophobicContact CG2-CG 4.32Å; T100-L104 WeakPolarHBondContact O-CB 3.47Å; T100-L104 WeakPolarHBondContact O-CG 3.4Å; T100-L104 PolarHBondContact O-N 3.03Å
101T92.3Very high91.8Very high97 Ų9762.2 Ų62.260%0.59536%0.362SS*.Hα-helixtrans-65-46.2178.6-59.70000111.5P97 I98 I99 M103 L104 G105P97-T101 VanDerWaalsContact O-CB 3.24Å; P97-T101 WeakPolarHBondContact O-CB 3.31Å; P97-T101 PolarHBondContact O-N 3.23Å; P97-T101 PolarHBondContact O-OG1 3.18Å; I98-T101 PolarHBondContact O-N 3.1Å; I99-T101 PolarHBondContact O-N 3.11Å; T101-M103 VanDerWaalsContact C-N 3.32Å; T101-M103 PolarHBondContact O-N 2.98Å; T101-L104 PolarHBondContact O-N 3.33Å; T101-G105 PolarHBondContact O-N 3.35Å
102V90.1Very high91.9Very high22 Ų2262.6 Ų62.613%0.13337%0.373CS..Hα-helixtrans-62.7-42.5176.6172.10000110.5I21 M22 I25 I98 I99 G105 L106I21-V102 HydrophobicContact CG2-CG1 4.31Å; M22-V102 HydrophobicContact CE-CB 3.83Å; M22-V102 HydrophobicContact CE-CG1 3.86Å; M22-V102 HydrophobicContact CE-CG2 3.78Å; M22-V102 HydrophobicContact SD-CB 4.43Å; M22-V102 HydrophobicContact SD-CG1 4.11Å; I25-V102 HydrophobicContact CD1-CG2 3.56Å; I98-V102 VanDerWaalsContact O-CG2 3.31Å; I98-V102 WeakPolarHBondContact O-CG2 3.36Å; I98-V102 PolarHBondContact O-N 3.17Å; I99-V102 PolarHBondContact O-N 3.22Å; V102-G105 PolarHBondContact O-N 3.11Å; V102-L106 HydrophobicContact CG1-CD1 3.95Å; V102-L106 WeakPolarHBondContact O-CB 3.42Å; V102-L106 VanDerWaalsContact O-CG 3.32Å; V102-L106 WeakPolarHBondContact O-CG 3.35Å; V102-L106 PolarHBondContact O-N 2.96Å
103M89.3Confident92Very high36 Ų3661.2 Ų61.218%0.17736%0.363CS..Hα-helixtrans-62.1-48.4177.7-173.8-174.1-57.100112.2I99 T100 T101 L106 F107 F136 M139I99-M103 HydrophobicContact CG2-CE 4.15Å; I99-M103 VanDerWaalsContact O-CB 3.23Å; I99-M103 WeakPolarHBondContact O-CB 3.4Å; I99-M103 PolarHBondContact O-N 2.91Å; T100-M103 PolarHBondContact O-N 2.79Å; T101-M103 VanDerWaalsContact C-N 3.32Å; T101-M103 PolarHBondContact O-N 2.98Å; M103-L106 PolarHBondContact O-N 2.82Å; M103-F107 WeakPolarHBondContact O-CB 3.45Å; M103-F107 PolarHBondContact O-N 2.84Å; M103-F136 HydrophobicContact CG-CE1 4.36Å; M103-F136 HydrophobicContact SD-CD1 3.57Å; M103-F136 VanDerWaalsContact SD-CD1 3.57Å; M103-F136 HydrophobicContact SD-CE1 3.45Å; M103-F136 WeakPolarHBondContact SD-CE1 3.46Å; M103-M139 HydrophobicContact CB-CE 4.31Å; M103-M139 HydrophobicContact CE-CB 4.07Å; M103-M139 HydrophobicContact CE-CG 4.42Å; M103-M139 HydrophobicContact CG-CG 4.42Å
104L92.3Very high92Very high97 Ų9757.9 Ų57.951%0.50834%0.335SS..Hα-helixtrans-65.2-39.5177.5-72.7175.3000111.7T100 T101 L106 F107 V108T100-L104 HydrophobicContact CG2-CD1 3.99Å; T100-L104 HydrophobicContact CG2-CG 4.32Å; T100-L104 WeakPolarHBondContact O-CB 3.47Å; T100-L104 WeakPolarHBondContact O-CG 3.4Å; T100-L104 PolarHBondContact O-N 3.03Å; T101-L104 PolarHBondContact O-N 3.33Å; L104-L106 PolarHBondContact O-N 3.26Å; L104-F107 WeakPolarHBondContact O-CB 3.3Å; L104-F107 PolarHBondContact O-N 3.46Å; L104-V108 WeakPolarHBondContact O-CG2 3.41Å; L104-V108 PolarHBondContact O-N 3.36Å
105G92.7Very high92.1Very high48 Ų4854.5 Ų54.550%0.49533%0.327SS..Hα-helixtrans-59.9-45.5174.700000112.3T101 V102 V108 G109T101-G105 PolarHBondContact O-N 3.35Å; V102-G105 PolarHBondContact O-N 3.11Å; G105-V108 PolarHBondContact O-N 3.26Å; G105-G109 PolarHBondContact O-N 3.04Å
106L90.7Very high92.4Very high24 Ų2457.1 Ų57.113%0.12634%0.344CS..Hα-helixtrans-65.2-40.1174.3-72.5165.5000112.2A18 V102 M103 L104 G109 I110 L135 M139A18-L106 HydrophobicContact CB-CD1 3.34Å; A18-L106 HydrophobicContact CB-CD2 4.09Å; A18-L106 HydrophobicContact CB-CG 4.34Å; V102-L106 HydrophobicContact CG1-CD1 3.95Å; V102-L106 WeakPolarHBondContact O-CB 3.42Å; V102-L106 VanDerWaalsContact O-CG 3.32Å; V102-L106 WeakPolarHBondContact O-CG 3.35Å; V102-L106 PolarHBondContact O-N 2.96Å; M103-L106 PolarHBondContact O-N 2.82Å; L104-L106 PolarHBondContact O-N 3.26Å; L106-G109 PolarHBondContact O-N 2.85Å; L106-I110 WeakPolarHBondContact O-CB 3.45Å; L106-I110 VanDerWaalsContact O-CG1 3.3Å; L106-I110 WeakPolarHBondContact O-CG1 3.34Å; L106-I110 PolarHBondContact O-N 3.35Å; L106-L135 HydrophobicContact CB-CD1 4.32Å; L106-L135 HydrophobicContact CB-CD2 4.15Å; L106-M139 HydrophobicContact CD1-SD 4.24Å
107F93.2Very high92.6Very high55 Ų5552.9 Ų52.924%0.24132%0.322CS..Hα-helixtrans-59.1-48.4176.5-175.1-84.1000111.1M103 L104 I110 L111 L132 L135 F136M103-F107 WeakPolarHBondContact O-CB 3.45Å; M103-F107 PolarHBondContact O-N 2.84Å; L104-F107 WeakPolarHBondContact O-CB 3.3Å; L104-F107 PolarHBondContact O-N 3.46Å; F107-I110 PolarHBondContact O-N 3.13Å; F107-L111 HydrophobicContact CE1-CD2 4.44Å; F107-L111 VanDerWaalsContact O-CB 3.29Å; F107-L111 WeakPolarHBondContact O-CB 3.47Å; F107-L111 PolarHBondContact O-N 2.9Å; F107-L132 HydrophobicContact CD1-CD2 4.42Å; F107-L132 HydrophobicContact CD2-CB 4.48Å; F107-L132 HydrophobicContact CD2-CD2 3.79Å; F107-L132 HydrophobicContact CE1-CD2 4.34Å; F107-L132 HydrophobicContact CE2-CB 3.88Å; F107-L132 HydrophobicContact CE2-CD1 4.35Å; F107-L132 HydrophobicContact CE2-CD2 3.71Å; F107-L132 HydrophobicContact CE2-CG 4.18Å; F107-L132 HydrophobicContact CG-CD2 4.15Å; F107-L132 HydrophobicContact CZ-CB 4.45Å; F107-L132 HydrophobicContact CZ-CD1 4.11Å; F107-L132 HydrophobicContact CZ-CD2 3.99Å; F107-L132 HydrophobicContact CZ-CG 4.41Å; F107-L135 HydrophobicContact CB-CD2 3.92Å; F107-L135 HydrophobicContact CD2-CD2 4.33Å; F107-F136 AromaticContact CD2-CE2 3.98Å; F107-F136 HydrophobicContact CD2-CE2 3.98Å; F107-F136 HydrophobicContact CD2-CZ 4.25Å; F107-F136 AromaticContact CE2-CE2 3.93Å; F107-F136 HydrophobicContact CE2-CE2 3.93Å; F107-F136 HydrophobicContact CE2-CZ 4.4Å
108V94.4Very high92.7Very high98 Ų9851.6 Ų51.659%0.59431%0.313SS*.Hα-helixtrans-63.5-40.9176.5172.80000111.2L104 G105 L111 G112L104-V108 WeakPolarHBondContact O-CG2 3.41Å; L104-V108 PolarHBondContact O-N 3.36Å; G105-V108 PolarHBondContact O-N 3.26Å; V108-L111 PolarHBondContact O-N 2.97Å; V108-G112 PolarHBondContact O-N 3.36Å
109G92.5Very high92.8Very high36 Ų3657.9 Ų57.937%0.37134%0.341SS..Hα-helixtrans-61.6-46.7176.400000113.2G105 L106 G112 Y113G105-G109 PolarHBondContact O-N 3.04Å; L106-G109 PolarHBondContact O-N 2.85Å; G109-G112 PolarHBondContact O-N 3.01Å; G109-Y113 WeakPolarHBondContact O-CB 3.35Å; G109-Y113 PolarHBondContact O-N 3.42Å
110I92.3Very high93Very high2 Ų259.4 Ų59.41%0.0136%0.359CS..Hα-helixtrans-64.5-42.4176.6-70.8172.8000110.7M11 M14 M15 L106 F107 G114 L128 F131 L132 L135M11-I110 HydrophobicContact CE-CG2 3.69Å; M14-I110 HydrophobicContact SD-CG1 4.1Å; M15-I110 HydrophobicContact CG-CD1 3.67Å; L106-I110 WeakPolarHBondContact O-CB 3.45Å; L106-I110 VanDerWaalsContact O-CG1 3.3Å; L106-I110 WeakPolarHBondContact O-CG1 3.34Å; L106-I110 PolarHBondContact O-N 3.35Å; F107-I110 PolarHBondContact O-N 3.13Å; I110-G114 WeakPolarHBondContact O-CA 3.17Å; I110-G114 PolarHBondContact O-N 2.78Å; I110-L128 HydrophobicContact CG2-CD1 4.34Å; I110-F131 HydrophobicContact CG2-CB 4.21Å; I110-L132 HydrophobicContact CB-CD2 4.11Å; I110-L132 HydrophobicContact CG2-CD2 3.65Å; I110-L132 HydrophobicContact CG2-CG 4.3Å; I110-L135 HydrophobicContact CD1-CD1 3.86Å; I110-L135 HydrophobicContact CD1-CD2 4.1Å; I110-L135 HydrophobicContact CD1-CG 4.37Å
111L94.7Very high93Very high74 Ų7459.6 Ų59.639%0.38737%0.374SS..Hα-helixtrans-62.5-48.4176.8-178.863.3000111.5F107 V108 A115 L128 L132F107-L111 HydrophobicContact CE1-CD2 4.44Å; F107-L111 VanDerWaalsContact O-CB 3.29Å; F107-L111 WeakPolarHBondContact O-CB 3.47Å; F107-L111 PolarHBondContact O-N 2.9Å; V108-L111 PolarHBondContact O-N 2.97Å; L111-A115 VanDerWaalsContact O-CB 3.23Å; L111-A115 WeakPolarHBondContact O-CB 3.37Å; L111-A115 PolarHBondContact O-N 2.68Å; L111-L128 HydrophobicContact CD1-CD2 4.39Å; L111-L132 HydrophobicContact CB-CD2 4.33Å; L111-L132 HydrophobicContact CD1-CD1 4.08Å
112G94.3Very high93Very high40 Ų4058 Ų5841%0.41236%0.364SS..Hα-helixtrans-64-51.6-177.800000112.7V108 G109 A115 V116V108-G112 PolarHBondContact O-N 3.36Å; G109-G112 PolarHBondContact O-N 3.01Å; G112-A115 PolarHBondContact O-N 2.84Å; G112-V116 PolarHBondContact O-N 3.38Å
113Y93.5Very high93.1Very high83 Ų8357.2 Ų57.233%0.32536%0.359SS..Hα-helixtrans-67.8-38.8177.7179.6-107.2000112M11 M14 G109 V116 R117M11-Y113 HydrophobicContact SD-CD1 3.47Å; M11-Y113 WeakPolarHBondContact SD-CD1 3.43Å; M11-Y113 HydrophobicContact SD-CE1 3.74Å; M14-Y113 HydrophobicContact CE-CD1 3.42Å; M14-Y113 VanDerWaalsContact CE-CD1 3.42Å; M14-Y113 HydrophobicContact CE-CD2 4.31Å; M14-Y113 HydrophobicContact CE-CE1 4.07Å; M14-Y113 HydrophobicContact CE-CG 3.57Å; M14-Y113 HydrophobicContact SD-CD1 4.37Å; G109-Y113 WeakPolarHBondContact O-CB 3.35Å; G109-Y113 PolarHBondContact O-N 3.42Å; Y113-V116 PolarHBondContact O-N 3.2Å; Y113-R117 HydrophobicContact CD1-CG 4.31Å; Y113-R117 HydrophobicContact CE1-CG 3.92Å; Y113-R117 HydrophobicContact CE2-CG 4.35Å; Y113-R117 WeakPolarHBondContact O-CG 3.3Å; Y113-R117 PolarHBondContact O-N 3.17Å; Y113-R117 VanDerWaalsContact O-N 3.11Å
114G94.2Very high93.2Very high0 Ų059.3 Ų59.30%037%0.374CS..Hα-helixtrans-61.1-43.117500000113I110 V116 R117 V118I110-G114 WeakPolarHBondContact O-CA 3.17Å; I110-G114 PolarHBondContact O-N 2.78Å; G114-V116 PolarHBondContact O-N 3.49Å; G114-R117 PolarHBondContact O-N 2.88Å; G114-R117 VanDerWaalsContact O-N 3.15Å; G114-V118 VanDerWaalsContact O-CG2 3.29Å; G114-V118 WeakPolarHBondContact O-CG2 3.2Å; G114-V118 PolarHBondContact O-N 3.07Å
115A94.7Very high93.2Very high48 Ų4858.8 Ų58.840%0.39738%0.378SS..Hα-helixtrans-61.1-42.6178.300000112.2L111 G112 R117 V118 Q119L111-A115 VanDerWaalsContact O-CB 3.23Å; L111-A115 WeakPolarHBondContact O-CB 3.37Å; L111-A115 PolarHBondContact O-N 2.68Å; G112-A115 PolarHBondContact O-N 2.84Å; A115-R117 VanDerWaalsContact C-N 3.33Å; A115-R117 PolarHBondContact O-N 3.41Å; A115-V118 PolarHBondContact O-N 3.14Å; A115-Q119 PolarHBondContact O-N 3.4Å
116V94.9Very high93.1Very high91 Ų9158.6 Ų58.655%0.55238%0.377SS*.Hα-helixtrans-62.1-41.4174.5175.80000111.1G112 Y113 G114 Q119 A120G112-V116 PolarHBondContact O-N 3.38Å; Y113-V116 PolarHBondContact O-N 3.2Å; G114-V116 PolarHBondContact O-N 3.49Å; V116-Q119 PolarHBondContact O-N 3.03Å; V116-A120 WeakPolarHBondContact O-CB 3.24Å; V116-A120 PolarHBondContact O-N 3.21Å
117R93.8Very high93.2Very high42 Ų4260 Ų6016%0.15838%0.383CS..Hα-helixtrans-68.1-34178.2-70-81.3-73.4161.81.7112.8D8 Y113 G114 A115 G121 T122 L123D8-R117 IonicContact OD2-CZ 3.92Å; D8-R117 IonicContact OD2-NH2 2.86Å; D8-R117 PolarHBondContact OD2-NH2 2.91Å; Y113-R117 HydrophobicContact CD1-CG 4.31Å; Y113-R117 HydrophobicContact CE1-CG 3.92Å; Y113-R117 HydrophobicContact CE2-CG 4.35Å; Y113-R117 WeakPolarHBondContact O-CG 3.3Å; Y113-R117 PolarHBondContact O-N 3.17Å; Y113-R117 VanDerWaalsContact O-N 3.11Å; G114-R117 PolarHBondContact O-N 2.88Å; G114-R117 VanDerWaalsContact O-N 3.15Å; A115-R117 VanDerWaalsContact C-N 3.33Å; A115-R117 PolarHBondContact O-N 3.41Å; R117-G121 PolarHBondContact O-N 3.22Å; R117-T122 WeakPolarHBondContact CD-OG1 3.45Å; R117-T122 PolarHBondContact NE-OG1 3.26Å; R117-T122 VanDerWaalsContact NH1-CB 3.25Å; R117-T122 PolarHBondContact NH1-OG1 3.5Å; R117-T122 PolarHBondContact O-N 3Å; R117-T122 PolarHBondContact O-OG1 3Å; R117-L123 HydrophobicContact CB-CB 3.83Å; R117-L123 HydrophobicContact CB-CD2 4.37Å; R117-L123 PolarHBondContact O-N 3.28Å
118V94.8Very high93.1Very high47 Ų4758.2 Ų58.229%0.28538%0.376SS..Hα-helixtrans-68-45.3173.6172.70000110.7G114 A115 A120 G121 L123 L128G114-V118 VanDerWaalsContact O-CG2 3.29Å; G114-V118 WeakPolarHBondContact O-CG2 3.2Å; G114-V118 PolarHBondContact O-N 3.07Å; A115-V118 PolarHBondContact O-N 3.14Å; V118-A120 VanDerWaalsContact C-N 3.28Å; V118-A120 PolarHBondContact O-N 3.08Å; V118-G121 PolarHBondContact O-N 3.1Å; V118-L123 WeakPolarHBondContact CA-O 3.22Å; V118-L123 HydrophobicContact CG2-CB 4.14Å; V118-L123 HydrophobicContact CG2-CD2 4.22Å; V118-L123 HydrophobicContact CG2-CG 4.41Å; V118-L123 WeakPolarHBondContact CG2-O 3.19Å; V118-L128 HydrophobicContact CG2-CB 4.28Å; V118-L128 HydrophobicContact CG2-CD2 4.12Å
119Q93.9Very high93Very high174 Ų17457.4 Ų57.481%0.81337%0.371SS*.Hα-helixtrans-62.5-36.4176.3-171.617850.500112A115 V116 G121A115-Q119 PolarHBondContact O-N 3.4Å; V116-Q119 PolarHBondContact O-N 3.03Å; Q119-G121 PolarHBondContact O-N 3.38Å
120A93.3Very high92.9Very high69 Ų6956.8 Ų56.857%0.5736%0.362SS*.THydrogen-bonded Turntrans-73.7-1.7174.100000114.1V116 V118 T122V116-A120 WeakPolarHBondContact O-CB 3.24Å; V116-A120 PolarHBondContact O-N 3.21Å; V118-A120 VanDerWaalsContact C-N 3.28Å; V118-A120 PolarHBondContact O-N 3.08Å; A120-T122 HydrophobicContact CB-CG2 4.33Å; A120-T122 PolarHBondContact O-N 3.41Å
121G91Very high92.9Very high68 Ų6856.7 Ų56.770%0.70136%0.362SS*.THydrogen-bonded Turntrans72.310.9-178.900000114.8R117 V118 Q119R117-G121 PolarHBondContact O-N 3.22Å; V118-G121 PolarHBondContact O-N 3.1Å; Q119-G121 PolarHBondContact O-N 3.38Å
122T91.8Very high92.7Very high64 Ų6454.1 Ų54.139%0.39335%0.348SS..SBendtrans-95.2-8.1-175.559.50000114.3R117 A120R117-T122 WeakPolarHBondContact CD-OG1 3.45Å; R117-T122 PolarHBondContact NE-OG1 3.26Å; R117-T122 VanDerWaalsContact NH1-CB 3.25Å; R117-T122 PolarHBondContact NH1-OG1 3.5Å; R117-T122 PolarHBondContact O-N 3Å; R117-T122 PolarHBondContact O-OG1 3Å; A120-T122 HydrophobicContact CB-CG2 4.33Å; A120-T122 PolarHBondContact O-N 3.41Å
123L92.1Very high92.5Very high6 Ų657.3 Ų57.33%0.03136%0.355CS..SBendtrans-142.1142.3177.6-167.777000107.9D8 M11 R117 V118 Q127 L128 F131D8-L123 HydrophobicContact CB-CD1 3.94Å; M11-L123 HydrophobicContact CE-CD2 4.31Å; M11-L123 HydrophobicContact CG-CD1 4.27Å; M11-L123 HydrophobicContact CG-CD2 4.27Å; M11-L123 HydrophobicContact SD-CD2 4.36Å; R117-L123 HydrophobicContact CB-CB 3.83Å; R117-L123 HydrophobicContact CB-CD2 4.37Å; R117-L123 PolarHBondContact O-N 3.28Å; V118-L123 WeakPolarHBondContact CA-O 3.22Å; V118-L123 HydrophobicContact CG2-CB 4.14Å; V118-L123 HydrophobicContact CG2-CD2 4.22Å; V118-L123 HydrophobicContact CG2-CG 4.41Å; V118-L123 WeakPolarHBondContact CG2-O 3.19Å; L123-Q127 HydrophobicContact CD1-CB 3.81Å; L123-Q127 HydrophobicContact CG-CB 4Å; L123-L128 HydrophobicContact CD2-CB 4.07Å; L123-F131 HydrophobicContact CD1-CE2 4.38Å
124T92.9Very high92.4Very high80 Ų8057.8 Ų57.849%0.49136%0.357SS..  trans-85.4155.4173.871.20000111.1G126 Q127 L128T124-G126 PolarHBondContact O-N 3.24Å; T124-Q127 PolarHBondContact O-N 2.9Å; T124-Q127 WeakPolarHBondContact OG1-CB 3.5Å; T124-Q127 VanDerWaalsContact OG1-CG 3.25Å; T124-Q127 WeakPolarHBondContact OG1-CG 3.41Å; T124-Q127 PolarHBondContact OG1-N 3.15Å; T124-Q127 VanDerWaalsContact OG1-N 3.07Å; T124-Q127 PolarHBondContact OG1-OE1 3.02Å; T124-L128 PolarHBondContact O-N 3.24Å
125S90.8Very high92Very high85 Ų8557.8 Ų57.859%0.59436%0.357SS*.Hα-helixtrans-58.9-37.5173.153.60000111.9L128 V129S125-L128 PolarHBondContact O-N 3.29Å; S125-V129 WeakPolarHBondContact O-CG2 3.31Å; S125-V129 PolarHBondContact O-N 3.25Å
126G92.1Very high91.5Very high45 Ų4560.1 Ų60.146%0.46436%0.359SS..Hα-helixtrans-63.8-40.9175.200000113T124 V129 A130T124-G126 PolarHBondContact O-N 3.24Å; G126-V129 PolarHBondContact O-N 3.01Å; G126-A130 WeakPolarHBondContact O-CB 3.26Å; G126-A130 PolarHBondContact O-N 3.49Å
127Q91.2Very high91.1Very high53 Ų5360.8 Ų60.825%0.24836%0.359CS..Hα-helixtrans-61.8-46.1173-76.1170.1-35.200110.9M7 L123 T124 V129 A130 F131M7-Q127 HydrophobicContact CE-CB 4.13Å; M7-Q127 HydrophobicContact CE-CG 3.99Å; M7-Q127 PolarHBondContact O-NE2 2.89Å; L123-Q127 HydrophobicContact CD1-CB 3.81Å; L123-Q127 HydrophobicContact CG-CB 4Å; T124-Q127 PolarHBondContact O-N 2.9Å; T124-Q127 WeakPolarHBondContact OG1-CB 3.5Å; T124-Q127 VanDerWaalsContact OG1-CG 3.25Å; T124-Q127 WeakPolarHBondContact OG1-CG 3.41Å; T124-Q127 PolarHBondContact OG1-N 3.15Å; T124-Q127 VanDerWaalsContact OG1-N 3.07Å; T124-Q127 PolarHBondContact OG1-OE1 3.02Å; Q127-V129 PolarHBondContact O-N 3.23Å; Q127-A130 WeakPolarHBondContact O-CB 3.49Å; Q127-A130 PolarHBondContact O-N 3.44Å; Q127-F131 WeakPolarHBondContact O-CD2 3.49Å; Q127-F131 PolarHBondContact O-N 3.24Å
128L92.2Very high90.5Very high17 Ų1759.9 Ų59.99%0.08936%0.357CS..Hα-helixtrans-58.1-48177.9179.154.5000112.3M11 I110 L111 V118 L123 T124 S125 A130 F131 L132M11-L128 HydrophobicContact CE-CD1 4.13Å; I110-L128 HydrophobicContact CG2-CD1 4.34Å; L111-L128 HydrophobicContact CD1-CD2 4.39Å; V118-L128 HydrophobicContact CG2-CB 4.28Å; V118-L128 HydrophobicContact CG2-CD2 4.12Å; L123-L128 HydrophobicContact CD2-CB 4.07Å; T124-L128 PolarHBondContact O-N 3.24Å; S125-L128 PolarHBondContact O-N 3.29Å; L128-A130 VanDerWaalsContact C-N 3.3Å; L128-A130 PolarHBondContact O-N 3.04Å; L128-F131 WeakPolarHBondContact O-CB 3.23Å; L128-F131 PolarHBondContact O-N 2.87Å; L128-F131 VanDerWaalsContact O-N 3.16Å; L128-L132 HydrophobicContact CD1-CG 4.44Å; L128-L132 HydrophobicContact CG-CD1 4.42Å; L128-L132 WeakPolarHBondContact O-CG 3.25Å; L128-L132 PolarHBondContact O-N 2.82Å
129V92.1Very high89.7Confident82 Ų8258 Ų5850%0.49735%0.345SS..Hα-helixtrans-60.1-42176.71730000110.9S125 G126 Q127 F131 L132 L133S125-V129 WeakPolarHBondContact O-CG2 3.31Å; S125-V129 PolarHBondContact O-N 3.25Å; G126-V129 PolarHBondContact O-N 3.01Å; Q127-V129 PolarHBondContact O-N 3.23Å; V129-F131 PolarHBondContact O-N 3.23Å; V129-L132 PolarHBondContact O-N 3.03Å; V129-L133 HydrophobicContact CG1-CD1 4.02Å; V129-L133 HydrophobicContact CG1-CG 4.35Å; V129-L133 WeakPolarHBondContact O-CG 3.36Å; V129-L133 PolarHBondContact O-N 3.47Å
130A91.2Very high89Confident23 Ų2356.8 Ų56.819%0.1934%0.341CS..Hα-helixtrans-60.4-44.8174.800000111.9M7 G126 Q127 L128 L132 L133 Y134M7-A130 HydrophobicContact CE-CB 3.81Å; G126-A130 WeakPolarHBondContact O-CB 3.26Å; G126-A130 PolarHBondContact O-N 3.49Å; Q127-A130 WeakPolarHBondContact O-CB 3.49Å; Q127-A130 PolarHBondContact O-N 3.44Å; L128-A130 VanDerWaalsContact C-N 3.3Å; L128-A130 PolarHBondContact O-N 3.04Å; A130-L132 VanDerWaalsContact C-N 3.33Å; A130-L132 PolarHBondContact O-N 2.91Å; A130-L133 PolarHBondContact O-N 3.08Å; A130-Y134 HydrophobicContact CB-CD2 4.25Å; A130-Y134 HydrophobicContact CB-CE2 4.26Å; A130-Y134 WeakPolarHBondContact O-CB 3.37Å; A130-Y134 WeakPolarHBondContact O-CD2 3.41Å; A130-Y134 PolarHBondContact O-N 3.37Å
131F90.9Very high88.5Confident0 Ų057 Ų570%034%0.337CS..Hα-helixtrans-58.5-42175.4-84.1-78.1000112.2L4 M7 D8 M11 A12 M15 I110 L123 Q127 L128 V129 L135L4-F131 HydrophobicContact CB-CE1 3.99Å; L4-F131 HydrophobicContact CB-CZ 4.44Å; L4-F131 HydrophobicContact CD2-CD1 3.78Å; L4-F131 HydrophobicContact CD2-CE1 3.68Å; L4-F131 HydrophobicContact CD2-CG 4.35Å; L4-F131 HydrophobicContact CD2-CZ 4.2Å; L4-F131 HydrophobicContact CG-CE1 4.35Å; M7-F131 HydrophobicContact CB-CE2 4.28Å; M7-F131 HydrophobicContact CB-CZ 4.25Å; M7-F131 HydrophobicContact CE-CD2 4.22Å; M7-F131 HydrophobicContact CE-CE2 3.91Å; D8-F131 HydrophobicContact CB-CE2 4.07Å; D8-F131 HydrophobicContact CB-CZ 4.02Å; M11-F131 HydrophobicContact CB-CD1 3.72Å; M11-F131 HydrophobicContact CB-CD2 4.05Å; M11-F131 HydrophobicContact CB-CE1 3.36Å; M11-F131 HydrophobicContact CB-CE2 3.73Å; M11-F131 HydrophobicContact CB-CG 4.11Å; M11-F131 HydrophobicContact CB-CZ 3.4Å; M11-F131 HydrophobicContact CE-CB 4.29Å; M11-F131 HydrophobicContact CE-CD2 4.4Å; M11-F131 HydrophobicContact CE-CG 4.21Å; M11-F131 HydrophobicContact CG-CD2 4.33Å; M11-F131 HydrophobicContact CG-CE2 4.15Å; M11-F131 HydrophobicContact CG-CZ 4.29Å; A12-F131 HydrophobicContact CB-CE1 4.38Å; M15-F131 HydrophobicContact CG-CD1 4.32Å; M15-F131 HydrophobicContact SD-CD1 3.5Å; M15-F131 WeakPolarHBondContact SD-CD1 3.38Å; M15-F131 HydrophobicContact SD-CE1 4.14Å; I110-F131 HydrophobicContact CG2-CB 4.21Å; L123-F131 HydrophobicContact CD1-CE2 4.38Å; Q127-F131 WeakPolarHBondContact O-CD2 3.49Å; Q127-F131 PolarHBondContact O-N 3.24Å; L128-F131 WeakPolarHBondContact O-CB 3.23Å; L128-F131 PolarHBondContact O-N 2.87Å; L128-F131 VanDerWaalsContact O-N 3.16Å; V129-F131 PolarHBondContact O-N 3.23Å; F131-L135 PolarHBondContact O-N 3.44Å
132L91.6Very high87.9Confident20 Ų2055.2 Ų55.211%0.10532%0.316CS..Hα-helixtrans-66-43.1176.9-66.2171.9000112.4F107 I110 L111 L128 V129 A130 L135 F136F107-L132 HydrophobicContact CD1-CD2 4.42Å; F107-L132 HydrophobicContact CD2-CB 4.48Å; F107-L132 HydrophobicContact CD2-CD2 3.79Å; F107-L132 HydrophobicContact CE1-CD2 4.34Å; F107-L132 HydrophobicContact CE2-CB 3.88Å; F107-L132 HydrophobicContact CE2-CD1 4.35Å; F107-L132 HydrophobicContact CE2-CD2 3.71Å; F107-L132 HydrophobicContact CE2-CG 4.18Å; F107-L132 HydrophobicContact CG-CD2 4.15Å; F107-L132 HydrophobicContact CZ-CB 4.45Å; F107-L132 HydrophobicContact CZ-CD1 4.11Å; F107-L132 HydrophobicContact CZ-CD2 3.99Å; F107-L132 HydrophobicContact CZ-CG 4.41Å; I110-L132 HydrophobicContact CB-CD2 4.11Å; I110-L132 HydrophobicContact CG2-CD2 3.65Å; I110-L132 HydrophobicContact CG2-CG 4.3Å; L111-L132 HydrophobicContact CB-CD2 4.33Å; L111-L132 HydrophobicContact CD1-CD1 4.08Å; L128-L132 HydrophobicContact CD1-CG 4.44Å; L128-L132 HydrophobicContact CG-CD1 4.42Å; L128-L132 WeakPolarHBondContact O-CG 3.25Å; L128-L132 PolarHBondContact O-N 2.82Å; V129-L132 PolarHBondContact O-N 3.03Å; A130-L132 VanDerWaalsContact C-N 3.33Å; A130-L132 PolarHBondContact O-N 2.91Å; L132-L135 WeakPolarHBondContact O-CB 3.32Å; L132-L135 PolarHBondContact O-N 2.95Å; L132-F136 WeakPolarHBondContact O-CD2 3.46Å
133L90.5Very high87.1Confident106 Ų10654.2 Ų54.256%0.55531%0.314SS*.Hα-helixtrans-68.1-38.4177.1-68.7176000112.1V129 A130 L135 N137V129-L133 HydrophobicContact CG1-CD1 4.02Å; V129-L133 HydrophobicContact CG1-CG 4.35Å; V129-L133 WeakPolarHBondContact O-CG 3.36Å; V129-L133 PolarHBondContact O-N 3.47Å; A130-L133 PolarHBondContact O-N 3.08Å; L133-L135 VanDerWaalsContact C-N 3.27Å; L133-L135 PolarHBondContact O-N 2.82Å; L133-N137 PolarHBondContact O-ND2 3.07Å
134Y89.5Confident86.5Confident93 Ų9356.6 Ų56.637%0.36533%0.331SS..Hα-helixtrans-71.7-20.5177.2-77.4-58.7000113.2L4 A130 N137 I138L4-Y134 HydrophobicContact CD2-CD2 3.52Å; L4-Y134 HydrophobicContact CD2-CE2 4.3Å; L4-Y134 HydrophobicContact CD2-CG 3.99Å; L4-Y134 HydrophobicContact CG-CD2 4.36Å; A130-Y134 HydrophobicContact CB-CD2 4.25Å; A130-Y134 HydrophobicContact CB-CE2 4.26Å; A130-Y134 WeakPolarHBondContact O-CB 3.37Å; A130-Y134 WeakPolarHBondContact O-CD2 3.41Å; A130-Y134 PolarHBondContact O-N 3.37Å; Y134-N137 HydrophobicContact CD1-CB 4.48Å; Y134-N137 PolarHBondContact O-N 3.48Å; Y134-I138 WeakPolarHBondContact O-CG1 3.35Å; Y134-I138 PolarHBondContact O-N 3.13Å
135L87.3Confident85.8Confident0 Ų059.7 Ų59.70%034%0.338CS..Hα-helixtrans-58.5-49.5173.4-17767.1000111.1M15 L106 F107 I110 F131 L132 L133 N137 I138 M139M15-L135 HydrophobicContact CE-CB 3.84Å; M15-L135 HydrophobicContact CE-CD1 4.01Å; M15-L135 VanDerWaalsContact CE-N 3.31Å; L106-L135 HydrophobicContact CB-CD1 4.32Å; L106-L135 HydrophobicContact CB-CD2 4.15Å; F107-L135 HydrophobicContact CB-CD2 3.92Å; F107-L135 HydrophobicContact CD2-CD2 4.33Å; I110-L135 HydrophobicContact CD1-CD1 3.86Å; I110-L135 HydrophobicContact CD1-CD2 4.1Å; I110-L135 HydrophobicContact CD1-CG 4.37Å; F131-L135 PolarHBondContact O-N 3.44Å; L132-L135 WeakPolarHBondContact O-CB 3.32Å; L132-L135 PolarHBondContact O-N 2.95Å; L133-L135 VanDerWaalsContact C-N 3.27Å; L133-L135 PolarHBondContact O-N 2.82Å; L135-N137 VanDerWaalsContact C-N 3.27Å; L135-N137 PolarHBondContact O-N 3.41Å; L135-I138 PolarHBondContact O-N 3.33Å; L135-I138 VanDerWaalsContact O-N 3.14Å; L135-M139 HydrophobicContact CD1-CG 4.39Å; L135-M139 HydrophobicContact CG-CG 4.47Å; L135-M139 VanDerWaalsContact O-CG 3.31Å; L135-M139 WeakPolarHBondContact O-CG 3.49Å; L135-M139 PolarHBondContact O-N 2.92Å
136F84.5Confident85Confident98 Ų9858.6 Ų58.643%0.4333%0.334SS..Hα-helixtrans-58.6-41.6176.5-69.5-79000111.8M103 F107 L132 I138 M139M103-F136 HydrophobicContact CG-CE1 4.36Å; M103-F136 HydrophobicContact SD-CD1 3.57Å; M103-F136 VanDerWaalsContact SD-CD1 3.57Å; M103-F136 HydrophobicContact SD-CE1 3.45Å; M103-F136 WeakPolarHBondContact SD-CE1 3.46Å; F107-F136 AromaticContact CD2-CE2 3.98Å; F107-F136 HydrophobicContact CD2-CE2 3.98Å; F107-F136 HydrophobicContact CD2-CZ 4.25Å; F107-F136 AromaticContact CE2-CE2 3.93Å; F107-F136 HydrophobicContact CE2-CE2 3.93Å; F107-F136 HydrophobicContact CE2-CZ 4.4Å; L132-F136 WeakPolarHBondContact O-CD2 3.46Å; F136-I138 VanDerWaalsContact C-N 3.3Å; F136-I138 PolarHBondContact O-N 3.31Å; F136-M139 PolarHBondContact O-N 2.89Å
137N85Confident84.2Confident105 Ų10561.7 Ų61.756%0.56134%0.338SS*.Hα-helixtrans-69.1-22.1178.9-73-64.5000114.2L133 Y134 L135 P141L133-N137 PolarHBondContact O-ND2 3.07Å; Y134-N137 HydrophobicContact CD1-CB 4.48Å; Y134-N137 PolarHBondContact O-N 3.48Å; L135-N137 VanDerWaalsContact C-N 3.27Å; L135-N137 PolarHBondContact O-N 3.41Å; N137-P141 WeakPolarHBondContact O-CD 3.45Å; N137-P141 VanDerWaalsContact O-CG 3.25Å; N137-P141 WeakPolarHBondContact O-CG 3.4Å
138I81.9Confident83.9Confident23 Ų2365 Ų6512%0.11835%0.352CS..Hα-helixtrans-88.4-36.4176.8-75.4167.6000111.4M1 L4 M15 V19 Y134 L135 F136 P141 A142M1-I138 HydrophobicContact CE-CD1 4.17Å; M1-I138 HydrophobicContact CE-CG1 4.1Å; M1-I138 HydrophobicContact CE-CG2 3.72Å; M1-I138 HydrophobicContact CG-CD1 4.24Å; L4-I138 HydrophobicContact CD1-CD1 3.55Å; M15-I138 HydrophobicContact CE-CD1 3.59Å; M15-I138 HydrophobicContact SD-CD1 4.41Å; V19-I138 HydrophobicContact CG2-CG2 4.45Å; Y134-I138 WeakPolarHBondContact O-CG1 3.35Å; Y134-I138 PolarHBondContact O-N 3.13Å; L135-I138 PolarHBondContact O-N 3.33Å; L135-I138 VanDerWaalsContact O-N 3.14Å; F136-I138 VanDerWaalsContact C-N 3.3Å; F136-I138 PolarHBondContact O-N 3.31Å; I138-P141 WeakPolarHBondContact O-CD 3.38Å; I138-A142 VanDerWaalsContact O-CB 3.28Å; I138-A142 WeakPolarHBondContact O-CB 3.49Å; I138-A142 PolarHBondContact O-N 3.38Å; I138-A142 VanDerWaalsContact O-N 3.08Å
139M78Confident83.3Confident8 Ų870 Ų704%0.03937%0.373CS..Hα-helixtrans-65.2-43.6-175.2-73.3-65.2-66.800113A18 M22 M103 L106 L135 F136 A142 A143A18-M139 HydrophobicContact CB-SD 4.29Å; M22-M139 HydrophobicContact CG-CE 4.42Å; M22-M139 HydrophobicContact SD-CE 3.42Å; M22-M139 WeakPolarHBondContact SD-CE 3.37Å; M103-M139 HydrophobicContact CB-CE 4.31Å; M103-M139 HydrophobicContact CE-CB 4.07Å; M103-M139 HydrophobicContact CE-CG 4.42Å; M103-M139 HydrophobicContact CG-CG 4.42Å; L106-M139 HydrophobicContact CD1-SD 4.24Å; L135-M139 HydrophobicContact CD1-CG 4.39Å; L135-M139 HydrophobicContact CG-CG 4.47Å; L135-M139 VanDerWaalsContact O-CG 3.31Å; L135-M139 WeakPolarHBondContact O-CG 3.49Å; L135-M139 PolarHBondContact O-N 2.92Å; F136-M139 PolarHBondContact O-N 2.89Å; M139-A142 PolarHBondContact O-N 3.03Å; M139-A143 PolarHBondContact O-N 2.69Å; M139-A143 VanDerWaalsContact O-N 3.15Å
140M79Confident82.6Confident147 Ų14768.6 Ų68.672%0.72437%0.366SS*.Hα-helixtrans-65.8-48.6-177.3-172.3-169.7-62.700112.2A142 A143 S144M140-A142 VanDerWaalsContact C-N 3.33Å; M140-A142 PolarHBondContact O-N 3.08Å; M140-A143 PolarHBondContact O-N 3.26Å; M140-S144 PolarHBondContact O-N 2.81Å; M140-S144 VanDerWaalsContact O-N 3.14Å; M140-S144 PolarHBondContact O-OG 3.05Å
141P82.3Confident82.3Confident75 Ų7573.3 Ų73.349%0.48739%0.385SS..Hα-helixtrans-64-32.5172.7-24.336000114.2N137 I138 A143 S144 F145N137-P141 WeakPolarHBondContact O-CD 3.45Å; N137-P141 VanDerWaalsContact O-CG 3.25Å; N137-P141 WeakPolarHBondContact O-CG 3.4Å; I138-P141 WeakPolarHBondContact O-CD 3.38Å; P141-A143 VanDerWaalsContact C-N 3.34Å; P141-A143 PolarHBondContact O-N 3.48Å; P141-S144 CarbonylContact O-C 3.58Å; P141-S144 PolarHBondContact O-N 2.88Å; P141-F145 PolarHBondContact O-N 2.93Å
142A78.3Confident82.3Confident30 Ų3076 Ų7625%0.24840%0.401CS..Hα-helixtrans-62.6-41.3177.200000111.9I138 M139 M140 F145I138-A142 VanDerWaalsContact O-CB 3.28Å; I138-A142 WeakPolarHBondContact O-CB 3.49Å; I138-A142 PolarHBondContact O-N 3.38Å; I138-A142 VanDerWaalsContact O-N 3.08Å; M139-A142 PolarHBondContact O-N 3.03Å; M140-A142 VanDerWaalsContact C-N 3.33Å; M140-A142 PolarHBondContact O-N 3.08Å; A142-F145 PolarHBondContact O-N 3.46Å
143A75.2Confident81.9Confident43 Ų4380.5 Ų80.536%0.35542%0.421SS..Hα-helixtrans-64.8-42.7172.100000111.7M139 M140 P141 F145 A146 M147M139-A143 PolarHBondContact O-N 2.69Å; M139-A143 VanDerWaalsContact O-N 3.15Å; M140-A143 PolarHBondContact O-N 3.26Å; P141-A143 VanDerWaalsContact C-N 3.34Å; P141-A143 PolarHBondContact O-N 3.48Å; A143-F145 VanDerWaalsContact C-N 3.29Å; A143-F145 PolarHBondContact O-N 2.92Å; A143-A146 PolarHBondContact O-N 2.77Å; A143-M147 PolarHBondContact O-N 3.05Å
144S79.3Confident81.5Confident56 Ų5682.9 Ų82.939%0.39243%0.427SS..Hα-helixtrans-62.9-31.7176.2-60.60000113.6M140 P141 A146 M147 F148M140-S144 PolarHBondContact O-N 2.81Å; M140-S144 VanDerWaalsContact O-N 3.14Å; M140-S144 PolarHBondContact O-OG 3.05Å; P141-S144 CarbonylContact O-C 3.58Å; P141-S144 PolarHBondContact O-N 2.88Å; S144-A146 VanDerWaalsContact C-N 3.34Å; S144-A146 PolarHBondContact O-N 3.43Å; S144-M147 WeakPolarHBondContact O-CB 3.38Å; S144-M147 PolarHBondContact O-N 3.25Å; S144-F148 PolarHBondContact O-N 2.76Å
145F78.8Confident81.7Confident145 Ų14581 Ų8164%0.63643%0.431SS*.Hα-helixtrans-64.9-37.2177.3-168.8-98.3000112.3P141 A142 A143 M147 F148 F149P141-F145 PolarHBondContact O-N 2.93Å; A142-F145 PolarHBondContact O-N 3.46Å; A143-F145 VanDerWaalsContact C-N 3.29Å; A143-F145 PolarHBondContact O-N 2.92Å; F145-M147 VanDerWaalsContact C-N 3.33Å; F145-M147 PolarHBondContact O-N 3.32Å; F145-F148 WeakPolarHBondContact O-CB 3.23Å; F145-F148 PolarHBondContact O-N 3.39Å; F145-F149 PolarHBondContact O-N 2.8Å
146A73.4Confident81.8Confident61 Ų6187.2 Ų87.250%0.50446%0.462SS..Hα-helixtrans-64-39.4173.400000111.7A143 S144 F149 S150A143-A146 PolarHBondContact O-N 2.77Å; S144-A146 VanDerWaalsContact C-N 3.34Å; S144-A146 PolarHBondContact O-N 3.43Å; A146-F149 PolarHBondContact O-N 2.93Å; A146-S150 PolarHBondContact O-N 3.21Å
147M76.7Confident81.9Confident111 Ų11183.7 Ų83.755%0.54745%0.453SS..Hα-helixtrans-65.9-39173.9-65.8-169.2-75.800112.1A143 S144 F145 S150 Q151A143-M147 PolarHBondContact O-N 3.05Å; S144-M147 WeakPolarHBondContact O-CB 3.38Å; S144-M147 PolarHBondContact O-N 3.25Å; F145-M147 VanDerWaalsContact C-N 3.33Å; F145-M147 PolarHBondContact O-N 3.32Å; M147-S150 PolarHBondContact O-N 3.22Å; M147-Q151 WeakPolarHBondContact O-CG 3.31Å; M147-Q151 PolarHBondContact O-N 3.09Å
148F84Confident82.1Confident123 Ų12380.5 Ų80.554%0.53944%0.441SS..Hα-helixtrans-59.7-45.2174.3176.3-100.5000111.6S144 F145 S150 Q151 V152S144-F148 PolarHBondContact O-N 2.76Å; F145-F148 WeakPolarHBondContact O-CB 3.23Å; F145-F148 PolarHBondContact O-N 3.39Å; F148-S150 VanDerWaalsContact C-N 3.32Å; F148-S150 PolarHBondContact O-N 3.06Å; F148-Q151 WeakPolarHBondContact O-CB 3.07Å; F148-Q151 PolarHBondContact O-N 3.16Å; F148-Q151 VanDerWaalsContact O-N 3.08Å; F148-V152 HydrophobicContact CD1-CG2 4.23Å; F148-V152 HydrophobicContact CE1-CG2 3.77Å; F148-V152 HydrophobicContact CE2-CG2 4.26Å; F148-V152 HydrophobicContact CZ-CG2 3.79Å; F148-V152 WeakPolarHBondContact O-CG2 3.3Å; F148-V152 PolarHBondContact O-N 3.45Å
149F80.4Confident82.7Confident121 Ų12183.5 Ų83.553%0.53146%0.461SS..Hα-helixtrans-60-42.1176.6-170.4-96.5000112.3F145 A146 Q151 V152 Q153F145-F149 PolarHBondContact O-N 2.8Å; A146-F149 PolarHBondContact O-N 2.93Å; F149-Q151 VanDerWaalsContact C-N 3.32Å; F149-Q151 PolarHBondContact O-N 3.37Å; F149-V152 PolarHBondContact O-N 2.87Å; F149-Q153 HydrophobicContact CD1-CG 4.32Å; F149-Q153 HydrophobicContact CE1-CG 4.04Å; F149-Q153 WeakPolarHBondContact O-CG 3.41Å; F149-Q153 PolarHBondContact O-N 3.42Å; F149-Q153 VanDerWaalsContact O-N 3.08Å
150S76.7Confident83.4Confident52 Ų5288.7 Ų88.736%0.36449%0.485SS..Hα-helixtrans-61.9-38.5174.3-175.80000112.5A146 M147 F148 Q153 K154A146-S150 PolarHBondContact O-N 3.21Å; M147-S150 PolarHBondContact O-N 3.22Å; F148-S150 VanDerWaalsContact C-N 3.32Å; F148-S150 PolarHBondContact O-N 3.06Å; S150-Q153 PolarHBondContact O-N 3.35Å; S150-K154 WeakPolarHBondContact O-CG 3.48Å; S150-K154 PolarHBondContact O-N 3.1Å; S150-K154 VanDerWaalsContact O-N 3.08Å
151Q86.1Confident83.8Confident123 Ų12389.2 Ų89.258%0.57548%0.479SS*.Hα-helixtrans-65.7-41.2175.8-72.217772.500112.2M147 F148 F149 Q153 K154 A155M147-Q151 WeakPolarHBondContact O-CG 3.31Å; M147-Q151 PolarHBondContact O-N 3.09Å; F148-Q151 WeakPolarHBondContact O-CB 3.07Å; F148-Q151 PolarHBondContact O-N 3.16Å; F148-Q151 VanDerWaalsContact O-N 3.08Å; F149-Q151 VanDerWaalsContact C-N 3.32Å; F149-Q151 PolarHBondContact O-N 3.37Å; Q151-Q153 VanDerWaalsContact C-N 3.33Å; Q151-Q153 PolarHBondContact O-N 2.79Å; Q151-K154 PolarHBondContact O-N 2.79Å; Q151-A155 PolarHBondContact O-N 3.34Å
152V89.7Confident84.4Confident57 Ų5790.5 Ų90.535%0.34548%0.48SS..Hα-helixtrans-59.2-44.7174.3172.70000110.8F148 F149 K154 A155 M156F148-V152 HydrophobicContact CD1-CG2 4.23Å; F148-V152 HydrophobicContact CE1-CG2 3.77Å; F148-V152 HydrophobicContact CE2-CG2 4.26Å; F148-V152 HydrophobicContact CZ-CG2 3.79Å; F148-V152 WeakPolarHBondContact O-CG2 3.3Å; F148-V152 PolarHBondContact O-N 3.45Å; F149-V152 PolarHBondContact O-N 2.87Å; V152-K154 PolarHBondContact O-N 3.05Å; V152-A155 PolarHBondContact O-N 3.19Å; V152-M156 HydrophobicContact CG1-SD 4.28Å; V152-M156 WeakPolarHBondContact O-CG 3.3Å; V152-M156 PolarHBondContact O-N 2.89Å
153Q83.1Confident85.1Confident113 Ų11393.2 Ų93.253%0.52849%0.488SS..Hα-helixtrans-62.4-40.3177-69.2-175.1-5100112.9F149 S150 Q151 M156 G157F149-Q153 HydrophobicContact CD1-CG 4.32Å; F149-Q153 HydrophobicContact CE1-CG 4.04Å; F149-Q153 WeakPolarHBondContact O-CG 3.41Å; F149-Q153 PolarHBondContact O-N 3.42Å; F149-Q153 VanDerWaalsContact O-N 3.08Å; S150-Q153 PolarHBondContact O-N 3.35Å; Q151-Q153 VanDerWaalsContact C-N 3.33Å; Q151-Q153 PolarHBondContact O-N 2.79Å; Q153-M156 PolarHBondContact O-N 3.41Å; Q153-G157 PolarHBondContact O-N 3.44Å; Q153-G157 VanDerWaalsContact O-N 3.12Å
154K83.4Confident86Confident156 Ų15696.7 Ų96.768%0.67850%0.497SS*.Hα-helixtrans-63.8-41.5174.9-73.1178-179.6-1800111.8S150 Q151 V152 G157 A158S150-K154 WeakPolarHBondContact O-CG 3.48Å; S150-K154 PolarHBondContact O-N 3.1Å; S150-K154 VanDerWaalsContact O-N 3.08Å; Q151-K154 PolarHBondContact O-N 2.79Å; V152-K154 PolarHBondContact O-N 3.05Å; K154-G157 PolarHBondContact O-N 3.47Å; K154-A158 PolarHBondContact O-N 2.87Å; K154-A158 VanDerWaalsContact O-N 3.09Å
155A91.8Very high86.7Confident55 Ų55100 Ų10046%0.45551%0.509SS..Hα-helixtrans-62.1-46.7176.400000111.2Q151 V152 G157 A158 T159Q151-A155 PolarHBondContact O-N 3.34Å; V152-A155 PolarHBondContact O-N 3.19Å; A155-G157 PolarHBondContact O-N 3.45Å; A155-A158 PolarHBondContact O-N 3.43Å; A155-T159 PolarHBondContact O-N 3.42Å; A155-T159 PolarHBondContact O-OG1 3.27Å; A155-T159 VanDerWaalsContact O-OG1 3.06Å
156M90.6Very high87.4Confident129 Ų12999.9 Ų99.964%0.63551%0.514SS*.Hα-helixtrans-57-47.1176.7-70.2179.571.800112.3V152 Q153 A158 T159 E160V152-M156 HydrophobicContact CG1-SD 4.28Å; V152-M156 WeakPolarHBondContact O-CG 3.3Å; V152-M156 PolarHBondContact O-N 2.89Å; Q153-M156 PolarHBondContact O-N 3.41Å; M156-A158 VanDerWaalsContact C-N 3.31Å; M156-A158 PolarHBondContact O-N 2.89Å; M156-T159 PolarHBondContact O-N 3.19Å; M156-E160 PolarHBondContact O-N 3.3Å
157G86.8Confident88.4Confident24 Ų24104 Ų10425%0.24752%0.521CS..Hα-helixtrans-69.1-24.617900000114.6Q153 K154 A155Q153-G157 PolarHBondContact O-N 3.44Å; Q153-G157 VanDerWaalsContact O-N 3.12Å; K154-G157 PolarHBondContact O-N 3.47Å; A155-G157 PolarHBondContact O-N 3.45Å
158A88.5Confident89.2Confident39 Ų39103.1 Ų103.132%0.32252%0.522SS..Hα-helixtrans-75.7-41.7171.700000111.5K154 A155 M156 E160 R161 I162K154-A158 PolarHBondContact O-N 2.87Å; K154-A158 VanDerWaalsContact O-N 3.09Å; A155-A158 PolarHBondContact O-N 3.43Å; M156-A158 VanDerWaalsContact C-N 3.31Å; M156-A158 PolarHBondContact O-N 2.89Å; A158-E160 VanDerWaalsContact C-N 3.33Å; A158-E160 PolarHBondContact O-N 3.27Å; A158-R161 PolarHBondContact O-N 3.46Å; A158-I162 PolarHBondContact O-N 3.31Å
159T94.4Very high89.5Confident85 Ų85106.2 Ų106.252%0.52154%0.538SS..Hα-helixtrans-61.6-40.2176.1-57.10000111.8A155 M156 R161 I162 E163A155-T159 PolarHBondContact O-N 3.42Å; A155-T159 PolarHBondContact O-OG1 3.27Å; A155-T159 VanDerWaalsContact O-OG1 3.06Å; M156-T159 PolarHBondContact O-N 3.19Å; T159-R161 VanDerWaalsContact C-N 3.32Å; T159-R161 PolarHBondContact O-N 2.75Å; T159-I162 PolarHBondContact O-N 3.44Å; T159-I162 VanDerWaalsContact O-N 3.14Å; T159-E163 WeakPolarHBondContact O-CB 3.47Å; T159-E163 PolarHBondContact O-N 3.04Å
160E92.3Very high89.9Confident117 Ų117108.2 Ų108.255%0.54755%0.553SS.*Hα-helixtrans-58.6-40.2177.2-173.6177.4-170.400112.5M156 A158 E163 Q164M156-E160 PolarHBondContact O-N 3.3Å; A158-E160 VanDerWaalsContact C-N 3.33Å; A158-E160 PolarHBondContact O-N 3.27Å; E160-E163 PolarHBondContact O-N 3.28Å; E160-Q164 WeakPolarHBondContact O-CG 3.41Å; E160-Q164 PolarHBondContact O-N 3.44Å
161R88.9Confident90.4Very high159 Ų159110 Ų11060%0.656%0.556SS**Hα-helixtrans-66.7-38.1175.2-74.7-171.4-71-93.1-1112.9A158 T159 E163 Q164 I165A158-R161 PolarHBondContact O-N 3.46Å; T159-R161 VanDerWaalsContact C-N 3.32Å; T159-R161 PolarHBondContact O-N 2.75Å; R161-E163 VanDerWaalsContact C-N 3.33Å; R161-Q164 PolarHBondContact O-N 2.85Å; R161-I165 WeakPolarHBondContact O-CG1 2.8Å; R161-I165 PolarHBondContact O-N 2.98Å
162I93.3Very high90.4Very high101 Ų101107.8 Ų107.852%0.51855%0.552SS.*Hα-helixtrans-65.5-42.8175.1-65171.7000109.7A158 T159 Q164 I165 L166A158-I162 PolarHBondContact O-N 3.31Å; T159-I162 PolarHBondContact O-N 3.44Å; T159-I162 VanDerWaalsContact O-N 3.14Å; I162-Q164 VanDerWaalsContact C-N 3.32Å; I162-Q164 PolarHBondContact O-N 3.49Å; I162-I165 PolarHBondContact O-N 3.46Å; I162-L166 HydrophobicContact CG2-CD1 3.87Å; I162-L166 HydrophobicContact CG2-CG 4.27Å; I162-L166 WeakPolarHBondContact O-CG 3.4Å; I162-L166 PolarHBondContact O-N 3.17Å
163E94.7Very high90.1Very high88 Ų88109.2 Ų109.241%0.41156%0.557SS.*Hα-helixtrans-62.2-38.9178.2-167.8-178.917500111.9T159 E160 R161 I165 L166 K167T159-E163 WeakPolarHBondContact O-CB 3.47Å; T159-E163 PolarHBondContact O-N 3.04Å; E160-E163 PolarHBondContact O-N 3.28Å; R161-E163 VanDerWaalsContact C-N 3.33Å; E163-I165 PolarHBondContact O-N 2.94Å; E163-L166 PolarHBondContact O-N 3.41Å; E163-K167 HydrophobicContact CG-CD 3.96Å; E163-K167 HydrophobicContact CG-CG 4.4Å; E163-K167 VanDerWaalsContact O-CB 3.28Å; E163-K167 WeakPolarHBondContact O-CB 3.47Å; E163-K167 VanDerWaalsContact O-CG 3.3Å; E163-K167 WeakPolarHBondContact O-CG 3.4Å; E163-K167 PolarHBondContact O-N 3.2Å; E163-K167 WeakPolarHBondContact OE1-CE 3.3Å; E163-K167 IonicContact OE1-NZ 2.6Å; E163-K167 PolarHBondContact OE1-NZ 3.24Å
164Q93.2Very high90.1Very high115 Ų115110 Ų11054%0.53756%0.561SS.*Hα-helixtrans-59.9-43.6173.3-74.4172.5-3.900112.4E160 R161 I162 K167 T168E160-Q164 WeakPolarHBondContact O-CG 3.41Å; E160-Q164 PolarHBondContact O-N 3.44Å; R161-Q164 PolarHBondContact O-N 2.85Å; I162-Q164 VanDerWaalsContact C-N 3.32Å; I162-Q164 PolarHBondContact O-N 3.49Å; Q164-K167 PolarHBondContact O-N 2.96Å; Q164-T168 PolarHBondContact O-N 3.32Å; Q164-T168 VanDerWaalsContact O-N 3.14Å; Q164-T168 PolarHBondContact O-OG1 3.25Å
165I94Very high90Very high126 Ų126106.6 Ų106.665%0.64655%0.553SS**Hα-helixtrans-65.1-46.4176.7-64.5168.2000110.4R161 I162 E163 K167 T168R161-I165 WeakPolarHBondContact O-CG1 2.8Å; R161-I165 PolarHBondContact O-N 2.98Å; I162-I165 PolarHBondContact O-N 3.46Å; E163-I165 PolarHBondContact O-N 2.94Å; I165-K167 VanDerWaalsContact C-N 3.26Å; I165-K167 PolarHBondContact O-N 3.49Å; I165-T168 WeakPolarHBondContact O-CB 3.17Å; I165-T168 PolarHBondContact O-N 3.19Å; I165-T168 PolarHBondContact O-OG1 2.9Å
166L94.5Very high89.8Confident143 Ų143106.4 Ų106.475%0.74956%0.557SS**Hα-helixtrans-66.9-25.6-179.7-69.2176.1000113.6I162 E163I162-L166 HydrophobicContact CG2-CD1 3.87Å; I162-L166 HydrophobicContact CG2-CG 4.27Å; I162-L166 WeakPolarHBondContact O-CG 3.4Å; I162-L166 PolarHBondContact O-N 3.17Å; E163-L166 PolarHBondContact O-N 3.41Å
167K94.2Very high89.8Confident146 Ų146105.4 Ų105.464%0.63555%0.549SS*.THydrogen-bonded Turntrans-90.9-5.8176.1-73.8179.8171.9175.50113.8E163 Q164 I165 E169E163-K167 HydrophobicContact CG-CD 3.96Å; E163-K167 HydrophobicContact CG-CG 4.4Å; E163-K167 VanDerWaalsContact O-CB 3.28Å; E163-K167 WeakPolarHBondContact O-CB 3.47Å; E163-K167 VanDerWaalsContact O-CG 3.3Å; E163-K167 WeakPolarHBondContact O-CG 3.4Å; E163-K167 PolarHBondContact O-N 3.2Å; E163-K167 WeakPolarHBondContact OE1-CE 3.3Å; E163-K167 IonicContact OE1-NZ 2.6Å; E163-K167 PolarHBondContact OE1-NZ 3.24Å; Q164-K167 PolarHBondContact O-N 2.96Å; I165-K167 VanDerWaalsContact C-N 3.26Å; I165-K167 PolarHBondContact O-N 3.49Å; K167-E169 PolarHBondContact O-N 2.93Å
168T93.5Very high90.1Very high94 Ų94108 Ų10858%0.57757%0.568SS**SBendtrans-65.4125.4176.6-61.30000108.3Q164 I165 L170Q164-T168 PolarHBondContact O-N 3.32Å; Q164-T168 VanDerWaalsContact O-N 3.14Å; Q164-T168 PolarHBondContact O-OG1 3.25Å; I165-T168 WeakPolarHBondContact O-CB 3.17Å; I165-T168 PolarHBondContact O-N 3.19Å; I165-T168 PolarHBondContact O-OG1 2.9Å; T168-L170 PolarHBondContact O-N 3.11Å
169E89.8Confident90.3Very high187 Ų187106.8 Ų106.887%0.87456%0.557SS**PPolyproline II helixtrans-58.9130178.5-66.6-177.7171.700110K167K167-E169 PolarHBondContact O-N 2.93Å
170L89.2Confident90.3Very high164 Ų164107.6 Ų107.686%0.85956%0.558SS**PPolyproline II helixtrans-76.8147.1177.1-62.5175.1000109.8T168T168-L170 PolarHBondContact O-N 3.11Å
171E87.2Confident90.4Very high90 Ų90102.2 Ų102.242%0.42153%0.533SS..PPolyproline II helixtrans-57.6127168.7-172.4179-134.700108.3I173 L255 R259E171-I173 WeakPolarHBondContact O-CG1 3.5Å; E171-I173 PolarHBondContact O-N 3.23Å; E171-L255 HydrophobicContact CG-CD2 3.61Å; E171-L255 VanDerWaalsContact OE1-CD2 3.3Å; E171-L255 WeakPolarHBondContact OE1-CD2 3.43Å; E171-L255 VanDerWaalsContact OE2-CD2 3.23Å; E171-L255 WeakPolarHBondContact OE2-CD2 3.19Å; E171-R259 IonicContact OE1-CZ 3.48Å; E171-R259 IonicContact OE1-NH1 3.23Å; E171-R259 PolarHBondContact OE1-NH1 2.94Å; E171-R259 IonicContact OE1-NH2 2.77Å; E171-R259 PolarHBondContact OE1-NH2 3.15Å; E171-R259 IonicContact OE2-CZ 3.71Å; E171-R259 IonicContact OE2-NH1 2.79Å; E171-R259 PolarHBondContact OE2-NH1 2.91Å; E171-R259 IonicContact OE2-NH2 3.84Å
172P84.9Confident90.6Very high75 Ų7596.9 Ų96.949%0.48752%0.522SS..  trans-76.499.3-179.131.4-35.2000109.7T175P172-T175 HydrophobicContact CB-CG2 4.09Å; P172-T175 WeakPolarHBondContact CB-OG1 3.47Å
173I84.7Confident90.6Very high87 Ų8794.9 Ų94.945%0.44653%0.527SS..  trans-79.4-49.3-169.7-59.3-178.7000112.5E171 S254 L255 T256E171-I173 WeakPolarHBondContact O-CG1 3.5Å; E171-I173 PolarHBondContact O-N 3.23Å; I173-S254 PolarHBondContact O-OG 3.38Å; I173-L255 WeakPolarHBondContact O-CB 3.32Å; I173-L255 PolarHBondContact O-N 2.98Å; I173-T256 WeakPolarHBondContact CG2-OG1 3.42Å
174E82.1Confident90.7Very high130 Ų13094 Ų9461%0.60752%0.522SS*.SBendtrans-100.25-171.5-66.4-58.4156.200114.1S254 T256E174-S254 PolarHBondContact OE2-OG 3.49Å; E174-T256 VanDerWaalsContact OE1-CB 3.27Å; E174-T256 WeakPolarHBondContact OE1-CB 3.44Å; E174-T256 PolarHBondContact OE1-OG1 3.04Å
175T81.2Confident90.9Very high84 Ų8490.4 Ų90.452%0.51551%0.507SS..  trans-79.6127.9176.658.80000110P172P172-T175 HydrophobicContact CB-CG2 4.09Å; P172-T175 WeakPolarHBondContact CB-OG1 3.47Å
176G88.7Confident91.1Very high52 Ų5284.4 Ų84.454%0.53648%0.477SS..SBendtrans123.4-174.8175.100000112.8D252G176-D252 CarbonylContact C-O 3.52Å; G176-D252 WeakPolarHBondContact CA-O 3.28Å
177K90.5Very high91.2Very high107 Ų10781.6 Ų81.647%0.46546%0.458SS..BIsolated β-bridgetrans-86140.7179.8-58.2177.2-167.8162.40110.3V179 E248 D252 L253 S254K177-V179 HydrophobicContact CB-CG2 3.99Å; K177-E248 VanDerWaalsContact NZ-CD 3.33Å; K177-E248 IonicContact NZ-OE1 3.9Å; K177-E248 PolarHBondContact NZ-OE1 3.41Å; K177-E248 IonicContact NZ-OE2 3.48Å; K177-E248 PolarHBondContact NZ-OE2 3.45Å; K177-D252 PolarHBondContact N-O 2.92Å; K177-L253 HydrophobicContact CB-CD2 4.4Å; K177-L253 WeakPolarHBondContact O-CA 3.44Å; K177-S254 PolarHBondContact O-N 3.12Å
178A92.1Very high91.4Very high78 Ų7874.7 Ų74.765%0.64543%0.429SS*.  trans-82124.1162.700000108.6N257A178-N257 HydrophobicContact CB-CB 4.23Å
179V93.1Very high91.5Very high15 Ų1572.6 Ų72.69%0.09141%0.412CS..  trans-133.9125.1-174.7174.60000109.1K177 V181 L253 N257 Q261K177-V179 HydrophobicContact CB-CG2 3.99Å; V179-V181 PolarHBondContact O-N 3.14Å; V179-L253 HydrophobicContact CB-CD1 4.46Å; V179-L253 HydrophobicContact CB-CD2 3.77Å; V179-L253 HydrophobicContact CG2-CD2 3.38Å; V179-N257 PolarHBondContact N-OD1 3.45Å; V179-N257 PolarHBondContact O-OD1 3.38Å; V179-Q261 PolarHBondContact O-NE2 3.04Å
180D94.8Very high91.9Very high102 Ų10268 Ų6855%0.54539%0.394SS..  trans-69.1122.8166.5-174.30.4000109.2A182 K184 Q261D180-A182 WeakPolarHBondContact OD1-CB 3.49Å; D180-A182 PolarHBondContact OD1-N 3.18Å; D180-K184 WeakPolarHBondContact O-CD 3.28Å; D180-K184 WeakPolarHBondContact O-CE 3.21Å; D180-K184 PolarHBondContact O-NZ 2.96Å; D180-Q261 PolarHBondContact OD1-OE1 3.12Å
181V94.3Very high92.2Very high4 Ų460.3 Ų60.32%0.02435%0.354CS..  trans-91.1-6-178.1-50.40000112.2V179 G183 K184 I245 W258 Q261 K343 I344V179-V181 PolarHBondContact O-N 3.14Å; V181-G183 PolarHBondContact O-N 3.19Å; V181-K184 WeakPolarHBondContact O-CB 3.41Å; V181-K184 PolarHBondContact O-N 3.32Å; V181-K184 VanDerWaalsContact O-N 3.13Å; V181-I245 HydrophobicContact CB-CD1 4.16Å; V181-I245 HydrophobicContact CB-CG1 3.86Å; V181-I245 HydrophobicContact CG1-CG1 3.93Å; V181-W258 HydrophobicContact CG1-CE3 3.95Å; V181-W258 HydrophobicContact CG1-CZ3 3.79Å; V181-Q261 HydrophobicContact CG2-CB 3.76Å; V181-Q261 HydrophobicContact CG2-CG 4.32Å; V181-Q261 VanDerWaalsContact CG2-OE1 3.3Å; V181-K343 HydrophobicContact CG2-CB 3.75Å; V181-K343 HydrophobicContact CG2-CG 4.38Å; V181-I344 HydrophobicContact CB-CD1 4.25Å; V181-I344 HydrophobicContact CG2-CD1 3.78Å; V181-I344 HydrophobicContact CG2-CG1 4.02Å
182A93.3Very high92.7Very high46 Ų4657.1 Ų57.138%0.3834%0.341SS..THydrogen-bonded Turntrans-56.3132178.100000111.2D180 K184 K343D180-A182 WeakPolarHBondContact OD1-CB 3.49Å; D180-A182 PolarHBondContact OD1-N 3.18Å; A182-K184 PolarHBondContact O-N 3.25Å; A182-K343 HydrophobicContact CB-CG 4.42Å
183G93Very high93.3Very high59 Ų5954 Ų5461%0.60832%0.32SS*.THydrogen-bonded Turntrans71.88.5178.600000115.1V181 P211V181-G183 PolarHBondContact O-N 3.19Å; G183-P211 WeakPolarHBondContact O-CG 3.15Å
184K96.6Very high93.8Very high70 Ų7053.1 Ų53.130%0.30431%0.314SS..PPolyproline II helixtrans-103.6145.3179.7-63.6-177.1-177.7165.20112.3D180 V181 A182 I245D180-K184 WeakPolarHBondContact O-CD 3.28Å; D180-K184 WeakPolarHBondContact O-CE 3.21Å; D180-K184 PolarHBondContact O-NZ 2.96Å; V181-K184 WeakPolarHBondContact O-CB 3.41Å; V181-K184 PolarHBondContact O-N 3.32Å; V181-K184 VanDerWaalsContact O-N 3.13Å; A182-K184 PolarHBondContact O-N 3.25Å; K184-I245 HydrophobicContact CB-CD1 3.61Å; K184-I245 HydrophobicContact CB-CG1 3.79Å; K184-I245 HydrophobicContact CD-CG1 4.31Å
185T97.6Very high94.4Very high39 Ų3952 Ų5224%0.23931%0.305CS..PPolyproline II helixtrans-80.5131.3177.4-59.60000110.8E208 A209 K210 P211 I245 G246T185-E208 HydrophobicContact CG2-CG 3.27Å; T185-E208 WeakPolarHBondContact CG2-OE1 3.47Å; T185-A209 CarbonylContact C-O 3.53Å; T185-A209 WeakPolarHBondContact CA-O 3.4Å; T185-A209 WeakPolarHBondContact CG2-O 3.3Å; T185-K210 HydrophobicContact CG2-CG 4.44Å; T185-P211 WeakPolarHBondContact OG1-CD 3.39Å; T185-I245 CarbonylContact O-C 3.56Å; T185-I245 WeakPolarHBondContact O-CA 3.32Å; T185-G246 PolarHBondContact O-N 2.91Å
186I97.7Very high94.9Very high1 Ų151.8 Ų51.81%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-83.8128.3167.4-59.9161.1000107.9F207 E208 A209 L232 V243 K244 I245 I344 T374 L376I186-F207 HydrophobicContact CG2-CE2 4.32Å; I186-E208 CarbonylContact O-C 3.59Å; I186-E208 WeakPolarHBondContact O-CA 3.49Å; I186-A209 HydrophobicContact CB-CB 4.18Å; I186-A209 PolarHBondContact N-O 3.48Å; I186-A209 PolarHBondContact O-N 3.12Å; I186-L232 HydrophobicContact CG2-CD2 3.92Å; I186-V243 HydrophobicContact CG2-CG1 4.28Å; I186-K244 CarbonylContact C-O 3.49Å; I186-K244 WeakPolarHBondContact CA-O 3.31Å; I186-I245 HydrophobicContact CG1-CD1 3.64Å; I186-I344 HydrophobicContact CD1-CD1 3.8Å; I186-I344 HydrophobicContact CD1-CG1 3.99Å; I186-I344 HydrophobicContact CD1-CG2 3.79Å; I186-I344 HydrophobicContact CG1-CD1 4.26Å; I186-T374 HydrophobicContact CD1-CG2 4.13Å; I186-L376 HydrophobicContact CD1-CD1 3.8Å
187K97.7Very high94.8Very high83 Ų8353.1 Ų53.136%0.36131%0.309SS..EExtended strand (participates in β ladder)trans-132.4119.1178.5-164.2-175.8-174.4-163.70110.7E189 V243 K244K187-E189 HydrophobicContact CD-CG 4.06Å; K187-E189 VanDerWaalsContact CE-OE1 3.23Å; K187-E189 WeakPolarHBondContact CE-OE1 3.38Å; K187-E189 HydrophobicContact CG-CG 4.09Å; K187-E189 IonicContact NZ-OE1 3.91Å; K187-E189 PolarHBondContact NZ-OE1 3.21Å; K187-V243 CarbonylContact O-C 3.49Å; K187-V243 WeakPolarHBondContact O-CA 2.97Å; K187-K244 PolarHBondContact N-O 3.49Å; K187-K244 PolarHBondContact O-N 2.83Å
188A97.5Very high94.8Very high2 Ų254.6 Ų54.62%0.01732%0.318CS..EExtended strand (participates in β ladder)trans-98.5127.4167.800000109.3S206 F207 T242 V243A188-S206 WeakPolarHBondContact O-CA 3.45Å; A188-S206 WeakPolarHBondContact O-CB 3.08Å; A188-F207 HydrophobicContact CB-CD1 3.6Å; A188-F207 HydrophobicContact CB-CD2 4.38Å; A188-F207 HydrophobicContact CB-CE1 3.33Å; A188-F207 HydrophobicContact CB-CE2 4.16Å; A188-F207 HydrophobicContact CB-CG 4.12Å; A188-F207 HydrophobicContact CB-CZ 3.64Å; A188-F207 PolarHBondContact N-O 2.9Å; A188-F207 PolarHBondContact O-N 3.47Å; A188-F207 VanDerWaalsContact O-N 3.11Å; A188-T242 WeakPolarHBondContact CA-O 3.15Å; A188-V243 HydrophobicContact CB-CG2 4.21Å
189E96.7Very high94.7Very high49 Ų4959 Ų5923%0.22932%0.317CS..EExtended strand (participates in β ladder)trans-118.4113.4-178.2-61.6-178.8143.300109.6K187 L191 G241 T242 K244K187-E189 HydrophobicContact CD-CG 4.06Å; K187-E189 VanDerWaalsContact CE-OE1 3.23Å; K187-E189 WeakPolarHBondContact CE-OE1 3.38Å; K187-E189 HydrophobicContact CG-CG 4.09Å; K187-E189 IonicContact NZ-OE1 3.91Å; K187-E189 PolarHBondContact NZ-OE1 3.21Å; E189-L191 VanDerWaalsContact C-N 3.28Å; E189-L191 PolarHBondContact O-N 3Å; E189-G241 CarbonylContact O-C 3.51Å; E189-G241 WeakPolarHBondContact O-CA 3.45Å; E189-T242 HydrophobicContact CB-CG2 4.14Å; E189-T242 PolarHBondContact N-O 3.4Å; E189-T242 PolarHBondContact O-N 3.01Å; E189-K244 IonicContact OE2-NZ 3.98Å; E189-K244 PolarHBondContact OE2-NZ 3.49Å
190N96.8Very high94.7Very high92 Ų9261.9 Ų61.949%0.49234%0.337SS..EExtended strand (participates in β ladder)trans5142.6176.2-57.4-54.1000114S192 N204 S206 G241N190-S192 PolarHBondContact O-N 3.12Å; N190-N204 HydrophobicContact CB-CB 4.46Å; N190-S206 PolarHBondContact N-OG 3.49Å; N190-G241 WeakPolarHBondContact O-CA 3.29Å
191L96.7Very high94.8Very high1 Ų159.2 Ų59.21%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-64.1121.3-176.3-161.968.8000111E189 L202 N204 V205 L231 P238 G240 V243E189-L191 VanDerWaalsContact C-N 3.28Å; E189-L191 PolarHBondContact O-N 3Å; L191-L202 HydrophobicContact CD2-CD1 4.17Å; L191-N204 CarbonylContact O-C 3.56Å; L191-N204 WeakPolarHBondContact O-CA 3.34Å; L191-N204 PolarHBondContact O-N 3.05Å; L191-V205 HydrophobicContact CB-CB 4.34Å; L191-V205 WeakPolarHBondContact CB-O 3.45Å; L191-V205 PolarHBondContact N-O 2.98Å; L191-V205 PolarHBondContact O-N 3.36Å; L191-L231 HydrophobicContact CD1-CD1 4.32Å; L191-L231 HydrophobicContact CD2-CB 4.45Å; L191-L231 HydrophobicContact CD2-CD1 3.59Å; L191-L231 HydrophobicContact CG-CD1 3.92Å; L191-P238 HydrophobicContact CD1-CB 3.48Å; L191-P238 VanDerWaalsContact CD1-CB 3.48Å; L191-P238 HydrophobicContact CD1-CG 4.02Å; L191-P238 HydrophobicContact CG-CB 4.45Å; L191-G240 WeakPolarHBondContact CA-O 3.39Å; L191-V243 HydrophobicContact CD1-CG2 3.74Å; L191-V243 HydrophobicContact CD2-CG2 4.35Å
192S97Very high94.9Very high23 Ų2359.1 Ų59.116%0.16132%0.321CS..EExtended strand (participates in β ladder)trans-127.3141.6175.4-60.80000109.8N190 L202 N204 T239 G240N190-S192 PolarHBondContact O-N 3.12Å; S192-L202 VanDerWaalsContact CA-O 3.29Å; S192-L202 WeakPolarHBondContact CA-O 3.45Å; S192-N204 PolarHBondContact OG-N 3.19Å; S192-N204 PolarHBondContact OG-OD1 3.22Å; S192-T239 VanDerWaalsContact C-OG1 3.3Å; S192-T239 PolarHBondContact O-N 3.18Å; S192-T239 PolarHBondContact O-OG1 3.29Å; S192-G240 PolarHBondContact N-O 3.33Å; S192-G240 PolarHBondContact O-N 3.35Å; S192-G240 VanDerWaalsContact O-N 3.15Å
193F97.4Very high95Very high11 Ų1160.2 Ų60.25%0.04832%0.318CS..EExtended strand (participates in β ladder)trans-156.8148.9-178.4-176.3-101.8000113.2Y195 I201 L202 T227 L231 Y236 Q237 T239F193-Y195 AromaticContact CE1-CD1 3.63Å; F193-Y195 HydrophobicContact CE1-CD1 3.63Å; F193-Y195 HydrophobicContact CE1-CD2 4.05Å; F193-Y195 AromaticContact CE1-CE1 3.6Å; F193-Y195 HydrophobicContact CE1-CE1 3.6Å; F193-Y195 AromaticContact CE1-CE2 4Å; F193-Y195 HydrophobicContact CE1-CE2 4Å; F193-Y195 AromaticContact CE1-CG 3.85Å; F193-Y195 HydrophobicContact CE1-CG 3.85Å; F193-Y195 AromaticContact CE1-CZ 3.78Å; F193-Y195 AromaticContact CZ-CD1 3.94Å; F193-Y195 HydrophobicContact CZ-CD1 3.94Å; F193-Y195 HydrophobicContact CZ-CE1 4.06Å; F193-Y195 HydrophobicContact CZ-CG 4.44Å; F193-I201 PolarHBondContact O-N 2.61Å; F193-L202 HydrophobicContact CB-CB 4.36Å; F193-L202 HydrophobicContact CB-CD1 4.49Å; F193-L202 PolarHBondContact N-O 2.91Å; F193-L202 PolarHBondContact O-N 3.2Å; F193-L202 VanDerWaalsContact O-N 3.13Å; F193-T227 HydrophobicContact CD1-CG2 3.47Å; F193-T227 VanDerWaalsContact CD1-CG2 3.47Å; F193-T227 HydrophobicContact CE1-CG2 3.99Å; F193-T227 HydrophobicContact CG-CG2 4.34Å; F193-L231 HydrophobicContact CB-CD1 3.88Å; F193-L231 HydrophobicContact CD2-CD2 3.83Å; F193-L231 HydrophobicContact CE2-CD2 4.21Å; F193-L231 HydrophobicContact CG-CD1 4.18Å; F193-L231 HydrophobicContact CG-CD2 4.09Å; F193-Y236 HydrophobicContact CE2-CG 4.26Å; F193-Y236 AromaticContact CZ-CD1 3.95Å; F193-Y236 HydrophobicContact CZ-CD1 3.95Å; F193-Y236 HydrophobicContact CZ-CD2 4.43Å; F193-Y236 AromaticContact CZ-CG 3.73Å; F193-Y236 HydrophobicContact CZ-CG 3.73Å; F193-Q237 WeakPolarHBondContact CD2-O 3.24Å; F193-Q237 WeakPolarHBondContact CE2-O 3.43Å; F193-T239 VanDerWaalsContact CA-OG1 3.3Å; F193-T239 WeakPolarHBondContact CA-OG1 3.16Å; F193-T239 HydrophobicContact CD2-CG2 4.14Å; F193-T239 PolarHBondContact N-OG1 3.14Å
194H95.6Very high95.1Very high67 Ų6762.6 Ų62.631%0.3132%0.316SS..  trans-142.1135.517060.757000111.3V196 R199H194-V196 VanDerWaalsContact C-N 3.32Å; H194-R199 WeakPolarHBondContact CB-O 3.28Å
195Y94.1Very high95.1Very high107 Ų10759.3 Ų59.342%0.4230%0.302SS..SBendtrans-72.3-31.4168.6-65.1-75.6000111.6F193 I201 T227 Y236F193-Y195 AromaticContact CE1-CD1 3.63Å; F193-Y195 HydrophobicContact CE1-CD1 3.63Å; F193-Y195 HydrophobicContact CE1-CD2 4.05Å; F193-Y195 AromaticContact CE1-CE1 3.6Å; F193-Y195 HydrophobicContact CE1-CE1 3.6Å; F193-Y195 AromaticContact CE1-CE2 4Å; F193-Y195 HydrophobicContact CE1-CE2 4Å; F193-Y195 AromaticContact CE1-CG 3.85Å; F193-Y195 HydrophobicContact CE1-CG 3.85Å; F193-Y195 AromaticContact CE1-CZ 3.78Å; F193-Y195 AromaticContact CZ-CD1 3.94Å; F193-Y195 HydrophobicContact CZ-CD1 3.94Å; F193-Y195 HydrophobicContact CZ-CE1 4.06Å; F193-Y195 HydrophobicContact CZ-CG 4.44Å; Y195-I201 HydrophobicContact CD2-CD1 4.42Å; Y195-I201 HydrophobicContact CD2-CG1 3.78Å; Y195-I201 HydrophobicContact CE2-CG1 4.12Å; Y195-T227 HydrophobicContact CE2-CG2 4.2Å; Y195-T227 PolarHBondContact OH-OG1 3.2Å; Y195-T227 VanDerWaalsContact OH-OG1 3.11Å; Y195-Y236 HydrophobicContact CD1-CE1 4.24Å; Y195-Y236 HydrophobicContact CE1-CD1 4.49Å; Y195-Y236 HydrophobicContact CE1-CD2 4.03Å; Y195-Y236 HydrophobicContact CE1-CE1 4.14Å; Y195-Y236 AromaticContact CE1-CE2 3.65Å; Y195-Y236 HydrophobicContact CE1-CE2 3.65Å; Y195-Y236 HydrophobicContact CE1-CG 4.44Å; Y195-Y236 AromaticContact CE1-CZ 3.7Å
196V92.3Very high95.1Very high79 Ų7959.7 Ų59.748%0.47931%0.306SS..BIsolated β-bridgetrans-135132.4178-169.80000108H194 H198 R199H194-V196 VanDerWaalsContact C-N 3.32Å; V196-H198 WeakPolarHBondContact CG1-CE1 3.43Å; V196-H198 WeakPolarHBondContact CG1-ND1 3.45Å; V196-H198 PolarHBondContact O-N 2.97Å; V196-R199 PolarHBondContact O-N 2.72Å
197A86.5Confident95.1Very high81 Ų8160 Ų6067%0.66931%0.308SS*.THydrogen-bonded Turntrans-49.9-29.8-168.500000115.9
198H89.5Confident95.1Very high138 Ų13859.3 Ų59.364%0.63931%0.306SS*.THydrogen-bonded Turntrans-93.75.2-178.166.2-88.4000114.6V196V196-H198 WeakPolarHBondContact CG1-CE1 3.43Å; V196-H198 WeakPolarHBondContact CG1-ND1 3.45Å; V196-H198 PolarHBondContact O-N 2.97Å
199R90.7Very high95.1Very high169 Ų16959.2 Ų59.264%0.63831%0.305SS*.BIsolated β-bridgetrans-133.588.3178.1-66.3-171.1-173.3-168.2-0.9110.7H194 V196 I201H194-R199 WeakPolarHBondContact CB-O 3.28Å; V196-R199 PolarHBondContact O-N 2.72Å; R199-I201 PolarHBondContact O-N 3.22Å
200P93.4Very high95.1Very high76 Ų7661.7 Ų61.749%0.49432%0.315SS..  trans-64.1133.1173.627.5-33.4000110.7K203P200-K203 HydrophobicContact CB-CG 4.24Å
201I95.6Very high95Very high47 Ų4759.3 Ų59.324%0.24130%0.304CS..SBendtrans-103-42178.3-58.3-60.2000111F193 Y195 R199 T227 G397F193-I201 PolarHBondContact O-N 2.61Å; Y195-I201 HydrophobicContact CD2-CD1 4.42Å; Y195-I201 HydrophobicContact CD2-CG1 3.78Å; Y195-I201 HydrophobicContact CE2-CG1 4.12Å; R199-I201 PolarHBondContact O-N 3.22Å; I201-T227 HydrophobicContact CG2-CG2 3.97Å; I201-T227 WeakPolarHBondContact CG2-OG1 3.28Å; I201-G397 WeakPolarHBondContact O-CA 3.31Å
202L96.7Very high94.9Very high2 Ų264.2 Ų64.21%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-122.2140.4173.9-60.4178.2000109.5L191 S192 F193 V205 T227 I228 L231 G397L191-L202 HydrophobicContact CD2-CD1 4.17Å; S192-L202 VanDerWaalsContact CA-O 3.29Å; S192-L202 WeakPolarHBondContact CA-O 3.45Å; F193-L202 HydrophobicContact CB-CB 4.36Å; F193-L202 HydrophobicContact CB-CD1 4.49Å; F193-L202 PolarHBondContact N-O 2.91Å; F193-L202 PolarHBondContact O-N 3.2Å; F193-L202 VanDerWaalsContact O-N 3.13Å; L202-V205 HydrophobicContact CB-CG2 4.21Å; L202-V205 HydrophobicContact CD2-CG2 4.09Å; L202-T227 HydrophobicContact CD1-CG2 3.99Å; L202-T227 HydrophobicContact CG-CG2 4.21Å; L202-I228 HydrophobicContact CD1-CG1 3.7Å; L202-I228 HydrophobicContact CD2-CD1 4.45Å; L202-I228 HydrophobicContact CD2-CG1 4.06Å; L202-L231 HydrophobicContact CD1-CD1 3.6Å; L202-G397 CarbonylContact C-O 3.53Å
203K96.1Very high94.8Very high69 Ų6964.2 Ų64.230%0.333%0.33SS..EExtended strand (participates in β ladder)trans-134.7105.4-178.1-57.4164.7-173.31570109.1P200 V205 K396 G397 E398P200-K203 HydrophobicContact CB-CG 4.24Å; K203-V205 PolarHBondContact O-N 2.93Å; K203-V205 VanDerWaalsContact O-N 3.14Å; K203-K396 PolarHBondContact NZ-O 3.45Å; K203-K396 VanDerWaalsContact NZ-O 3.08Å; K203-G397 PolarHBondContact N-O 2.84Å; K203-E398 HydrophobicContact CB-CG 3.84Å; K203-E398 HydrophobicContact CD-CG 3.97Å; K203-E398 WeakPolarHBondContact CD-OE1 3.23Å; K203-E398 IonicContact NZ-OE1 3.84Å; K203-E398 PolarHBondContact NZ-OE1 3.11Å
204N95.5Very high94.7Very high109 Ų10964.7 Ų64.758%0.58333%0.334SS*.EExtended strand (participates in β ladder)trans50.936.5175.9-55.6-48.4000114.8N190 L191 S192 S206N190-N204 HydrophobicContact CB-CB 4.46Å; L191-N204 CarbonylContact O-C 3.56Å; L191-N204 WeakPolarHBondContact O-CA 3.34Å; L191-N204 PolarHBondContact O-N 3.05Å; S192-N204 PolarHBondContact OG-N 3.19Å; S192-N204 PolarHBondContact OG-OD1 3.22Å; N204-S206 PolarHBondContact O-N 3.18Å
205V96.9Very high94.7Very high0 Ų061.5 Ų61.50%032%0.319CS..EExtended strand (participates in β ladder)trans-70.2124.1178.9175.80000109.3L191 L202 K203 F207 I228 G397 V399L191-V205 HydrophobicContact CB-CB 4.34Å; L191-V205 WeakPolarHBondContact CB-O 3.45Å; L191-V205 PolarHBondContact N-O 2.98Å; L191-V205 PolarHBondContact O-N 3.36Å; L202-V205 HydrophobicContact CB-CG2 4.21Å; L202-V205 HydrophobicContact CD2-CG2 4.09Å; K203-V205 PolarHBondContact O-N 2.93Å; K203-V205 VanDerWaalsContact O-N 3.14Å; V205-F207 HydrophobicContact CG1-CD1 4.14Å; V205-I228 HydrophobicContact CG1-CD1 3.95Å; V205-G397 WeakPolarHBondContact CG2-O 3.37Å; V205-V399 HydrophobicContact CB-CG2 4.27Å; V205-V399 HydrophobicContact CG1-CG2 3.55Å; V205-V399 HydrophobicContact CG2-CG2 4.39Å
206S97.5Very high94.7Very high48 Ų4856.4 Ų56.434%0.33630%0.299SS..EExtended strand (participates in β ladder)trans-122.2135.4173.7-55.90000110A188 N190 N204A188-S206 WeakPolarHBondContact O-CA 3.45Å; A188-S206 WeakPolarHBondContact O-CB 3.08Å; N190-S206 PolarHBondContact N-OG 3.49Å; N204-S206 PolarHBondContact O-N 3.18Å
207F97.3Very high94.8Very high7 Ų752.7 Ų52.73%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-152.7159.9175.566.2-95.5000110.6I186 A188 V205 I215 F217 I228 L232 L376 Y392I186-F207 HydrophobicContact CG2-CE2 4.32Å; A188-F207 HydrophobicContact CB-CD1 3.6Å; A188-F207 HydrophobicContact CB-CD2 4.38Å; A188-F207 HydrophobicContact CB-CE1 3.33Å; A188-F207 HydrophobicContact CB-CE2 4.16Å; A188-F207 HydrophobicContact CB-CG 4.12Å; A188-F207 HydrophobicContact CB-CZ 3.64Å; A188-F207 PolarHBondContact N-O 2.9Å; A188-F207 PolarHBondContact O-N 3.47Å; A188-F207 VanDerWaalsContact O-N 3.11Å; V205-F207 HydrophobicContact CG1-CD1 4.14Å; F207-I215 HydrophobicContact CD2-CD1 3.78Å; F207-I215 HydrophobicContact CE2-CD1 4.27Å; F207-F217 HydrophobicContact CB-CE1 4.3Å; F207-F217 AromaticContact CD1-CE1 3.88Å; F207-F217 HydrophobicContact CD1-CE1 3.88Å; F207-F217 AromaticContact CD1-CZ 3.91Å; F207-F217 HydrophobicContact CD1-CZ 3.91Å; F207-F217 HydrophobicContact CD2-CE1 4.32Å; F207-F217 AromaticContact CD2-CZ 3.8Å; F207-F217 HydrophobicContact CD2-CZ 3.8Å; F207-F217 HydrophobicContact CE1-CE1 4.26Å; F207-F217 AromaticContact CE1-CZ 3.93Å; F207-F217 HydrophobicContact CE1-CZ 3.93Å; F207-F217 AromaticContact CE2-CZ 3.83Å; F207-F217 HydrophobicContact CE2-CZ 3.83Å; F207-F217 AromaticContact CG-CE1 3.92Å; F207-F217 HydrophobicContact CG-CE1 3.92Å; F207-F217 AromaticContact CG-CZ 3.85Å; F207-F217 HydrophobicContact CG-CZ 3.85Å; F207-F217 AromaticContact CZ-CZ 3.9Å; F207-F217 HydrophobicContact CZ-CZ 3.9Å; F207-I228 HydrophobicContact CE1-CD1 4.46Å; F207-I228 HydrophobicContact CE1-CG2 3.52Å; F207-I228 HydrophobicContact CZ-CG2 3.66Å; F207-L232 HydrophobicContact CZ-CD1 4.16Å; F207-L232 HydrophobicContact CZ-CD2 4.32Å; F207-L232 HydrophobicContact CZ-CG 4.48Å; F207-L376 HydrophobicContact CE2-CD2 4.05Å; F207-Y392 HydrophobicContact CB-CD1 3.79Å; F207-Y392 HydrophobicContact CB-CD2 4.11Å; F207-Y392 HydrophobicContact CB-CE1 3.49Å; F207-Y392 VanDerWaalsContact CB-CE1 3.49Å; F207-Y392 HydrophobicContact CB-CE2 3.85Å; F207-Y392 HydrophobicContact CB-CG 4.08Å
208E97Very high95.1Very high68 Ų6848.8 Ų48.832%0.31824%0.244SC..EExtended strand (participates in β ladder)trans-133131.2177.8-170.7-176.6150.500109.6T185 I186 K210 Y392T185-E208 HydrophobicContact CG2-CG 3.27Å; T185-E208 WeakPolarHBondContact CG2-OE1 3.47Å; I186-E208 CarbonylContact O-C 3.59Å; I186-E208 WeakPolarHBondContact O-CA 3.49Å; E208-K210 VanDerWaalsContact OE1-CE 3.29Å; E208-K210 WeakPolarHBondContact OE1-CE 3.35Å; E208-K210 WeakPolarHBondContact OE1-CG 3.4Å; E208-Y392 PolarHBondContact N-OH 3.3Å; E208-Y392 PolarHBondContact O-OH 2.95Å
209A96.9Very high95.1Very high0 Ų042.2 Ų42.20%021%0.214CC..EExtended strand (participates in β ladder)trans-117108.5170.100000108.8T185 I186 I215 T374T185-A209 CarbonylContact C-O 3.53Å; T185-A209 WeakPolarHBondContact CA-O 3.4Å; T185-A209 WeakPolarHBondContact CG2-O 3.3Å; I186-A209 HydrophobicContact CB-CB 4.18Å; I186-A209 PolarHBondContact N-O 3.48Å; I186-A209 PolarHBondContact O-N 3.12Å; A209-I215 HydrophobicContact CB-CD1 3.65Å; A209-I215 HydrophobicContact CB-CG1 3.93Å; A209-I215 HydrophobicContact CB-CG2 4.14Å; A209-T374 HydrophobicContact CB-CG2 3.85Å
210K96.9Very high95Very high101 Ų10136.8 Ų36.844%0.43920%0.201SC..  trans-75.4159.1179.4-70.7176.5-176.4168.30110.7T185 E208 N212 T213T185-K210 HydrophobicContact CG2-CG 4.44Å; E208-K210 VanDerWaalsContact OE1-CE 3.29Å; E208-K210 WeakPolarHBondContact OE1-CE 3.35Å; E208-K210 WeakPolarHBondContact OE1-CG 3.4Å; K210-N212 PolarHBondContact O-N 3.06Å; K210-T213 HydrophobicContact CB-CG2 3.85Å; K210-T213 PolarHBondContact N-OG1 3.33Å; K210-T213 VanDerWaalsContact N-OG1 3.15Å; K210-T213 PolarHBondContact O-N 3.4Å; K210-T213 PolarHBondContact O-OG1 3.28Å
211P96Very high94.7Very high42 Ų4237.8 Ų37.827%0.27321%0.209SC..THydrogen-bonded Turntrans-54.5134.3178.2-25.735.1000112G183 T185 T213 T374G183-P211 WeakPolarHBondContact O-CG 3.15Å; T185-P211 WeakPolarHBondContact OG1-CD 3.39Å; P211-T213 PolarHBondContact O-N 2.88Å; P211-T374 WeakPolarHBondContact CA-OG1 3.16Å
212N94.1Very high94.2Very high104 Ų10439.5 Ų39.556%0.55624%0.238SC*.THydrogen-bonded Turntrans58.128.9177-49.4-40.6000114.1K210 G372 T374K210-N212 PolarHBondContact O-N 3.06Å; N212-G372 PolarHBondContact OD1-O 2.9Å; N212-G372 VanDerWaalsContact OD1-O 3.1Å; N212-T374 PolarHBondContact N-OG1 2.88Å; N212-T374 VanDerWaalsContact N-OG1 3.16Å
213T95.2Very high93.7Very high23 Ų2339.5 Ų39.514%0.14124%0.239CC..  trans-111155.4172.662.70000110.8K210 P211 T375 D389K210-T213 HydrophobicContact CB-CG2 3.85Å; K210-T213 PolarHBondContact N-OG1 3.33Å; K210-T213 VanDerWaalsContact N-OG1 3.15Å; K210-T213 PolarHBondContact O-N 3.4Å; K210-T213 PolarHBondContact O-OG1 3.28Å; P211-T213 PolarHBondContact O-N 2.88Å; T213-T375 PolarHBondContact O-N 2.82Å; T213-D389 VanDerWaalsContact CA-OD2 3.23Å; T213-D389 WeakPolarHBondContact CA-OD2 3.47Å; T213-D389 VanDerWaalsContact CB-OD2 3.31Å; T213-D389 WeakPolarHBondContact CB-OD2 3.29Å
214V94.7Very high93.5Very high22 Ų2236.5 Ų36.513%0.13323%0.228CC..EExtended strand (participates in β ladder)trans-103.3114.6174.4-177.60000108.2M370 T375 V377 A388 D389 H390V214-M370 HydrophobicContact CB-CE 4.07Å; V214-M370 HydrophobicContact CG1-CE 3.43Å; V214-M370 VanDerWaalsContact CG1-CE 3.43Å; V214-M370 HydrophobicContact CG2-CE 3.42Å; V214-M370 VanDerWaalsContact CG2-CE 3.42Å; V214-T375 WeakPolarHBondContact CA-O 3.32Å; V214-V377 HydrophobicContact CG1-CG2 4.06Å; V214-A388 HydrophobicContact CG1-CB 4.18Å; V214-D389 PolarHBondContact N-OD2 3.43Å; V214-D389 WeakPolarHBondContact O-CB 3.28Å; V214-D389 PolarHBondContact O-N 2.84Å; V214-H390 PolarHBondContact O-N 3.02Å
215I95.7Very high93.4Very high0 Ų031.8 Ų31.80%020%0.202CC..EExtended strand (participates in β ladder)trans-106.2137.7168.470.4162000111.1F207 A209 F217 T375 L376 V377 H390 Y392F207-I215 HydrophobicContact CD2-CD1 3.78Å; F207-I215 HydrophobicContact CE2-CD1 4.27Å; A209-I215 HydrophobicContact CB-CD1 3.65Å; A209-I215 HydrophobicContact CB-CG1 3.93Å; A209-I215 HydrophobicContact CB-CG2 4.14Å; I215-F217 HydrophobicContact CD1-CE1 4.5Å; I215-F217 HydrophobicContact CD1-CE2 4.16Å; I215-F217 HydrophobicContact CD1-CZ 3.79Å; I215-T375 PolarHBondContact N-O 3.45Å; I215-L376 HydrophobicContact CD1-CD2 3.96Å; I215-L376 HydrophobicContact CD1-CG 4.08Å; I215-L376 HydrophobicContact CG1-CB 4.28Å; I215-L376 HydrophobicContact CG1-CD2 4.28Å; I215-L376 HydrophobicContact CG1-CG 3.85Å; I215-L376 CarbonylContact O-C 3.56Å; I215-L376 WeakPolarHBondContact O-CA 3.31Å; I215-V377 PolarHBondContact O-N 2.87Å; I215-H390 CarbonylContact C-O 3.58Å; I215-H390 WeakPolarHBondContact CA-O 3.36Å; I215-H390 HydrophobicContact CG2-CB 4Å; I215-Y392 HydrophobicContact CB-CD2 4.42Å; I215-Y392 HydrophobicContact CB-CE2 4.18Å; I215-Y392 HydrophobicContact CD1-CD2 4.28Å; I215-Y392 HydrophobicContact CD1-CE2 4Å; I215-Y392 HydrophobicContact CG2-CE2 4.27Å
216A94.9Very high93.2Very high0 Ų034.6 Ų34.60%022%0.222CC..EExtended strand (participates in β ladder)trans-112.7134.5178.300000111.2V377 A388 H390 I391 Y392A216-V377 CarbonylContact C-O 3.57Å; A216-V377 WeakPolarHBondContact CA-O 3.27Å; A216-A388 HydrophobicContact CB-CB 3.73Å; A216-H390 PolarHBondContact N-O 2.83Å; A216-I391 HydrophobicContact CB-CG1 4.21Å; A216-I391 CarbonylContact O-C 3.59Å; A216-I391 WeakPolarHBondContact O-CA 3.47Å; A216-Y392 PolarHBondContact O-N 3.06Å
217F94.8Very high93.1Very high0 Ų032.9 Ų32.90%021%0.209CC..EExtended strand (participates in β ladder)trans-98.4111.5166.8-61.7-69.5000108.6F207 I215 K225 I228 F229 L376 V377 I378 A379 Y392 I394F207-F217 HydrophobicContact CB-CE1 4.3Å; F207-F217 AromaticContact CD1-CE1 3.88Å; F207-F217 HydrophobicContact CD1-CE1 3.88Å; F207-F217 AromaticContact CD1-CZ 3.91Å; F207-F217 HydrophobicContact CD1-CZ 3.91Å; F207-F217 HydrophobicContact CD2-CE1 4.32Å; F207-F217 AromaticContact CD2-CZ 3.8Å; F207-F217 HydrophobicContact CD2-CZ 3.8Å; F207-F217 HydrophobicContact CE1-CE1 4.26Å; F207-F217 AromaticContact CE1-CZ 3.93Å; F207-F217 HydrophobicContact CE1-CZ 3.93Å; F207-F217 AromaticContact CE2-CZ 3.83Å; F207-F217 HydrophobicContact CE2-CZ 3.83Å; F207-F217 AromaticContact CG-CE1 3.92Å; F207-F217 HydrophobicContact CG-CE1 3.92Å; F207-F217 AromaticContact CG-CZ 3.85Å; F207-F217 HydrophobicContact CG-CZ 3.85Å; F207-F217 AromaticContact CZ-CZ 3.9Å; F207-F217 HydrophobicContact CZ-CZ 3.9Å; I215-F217 HydrophobicContact CD1-CE1 4.5Å; I215-F217 HydrophobicContact CD1-CE2 4.16Å; I215-F217 HydrophobicContact CD1-CZ 3.79Å; F217-K225 HydrophobicContact CB-CD 4.42Å; F217-K225 HydrophobicContact CB-CG 4.42Å; F217-I228 HydrophobicContact CD1-CD1 4.11Å; F217-I228 HydrophobicContact CE1-CD1 4.02Å; F217-I228 HydrophobicContact CE2-CG2 4.15Å; F217-I228 HydrophobicContact CZ-CD1 4.48Å; F217-I228 HydrophobicContact CZ-CG2 3.99Å; F217-F229 AromaticContact CD2-CE1 3.9Å; F217-F229 HydrophobicContact CD2-CE1 3.9Å; F217-F229 HydrophobicContact CE2-CE1 4.02Å; F217-L376 HydrophobicContact CE2-CB 4.25Å; F217-L376 HydrophobicContact CE2-CD2 3.96Å; F217-L376 HydrophobicContact CZ-CD2 4.35Å; F217-V377 PolarHBondContact N-O 3.27Å; F217-I378 HydrophobicContact CB-CG1 4.39Å; F217-A379 PolarHBondContact O-N 3.3Å; F217-Y392 WeakPolarHBondContact CA-O 3.3Å; F217-Y392 HydrophobicContact CD1-CG 4.49Å; F217-Y392 HydrophobicContact CE1-CD2 4.21Å; F217-Y392 HydrophobicContact CE1-CG 4.26Å; F217-I394 HydrophobicContact CB-CD1 4.11Å; F217-I394 HydrophobicContact CD1-CD1 3.53Å; F217-I394 HydrophobicContact CD1-CG1 4.4Å; F217-I394 HydrophobicContact CE1-CD1 4.33Å; F217-I394 HydrophobicContact CG-CD1 4.13Å
218A91.8Very high93.1Very high0 Ų032.6 Ų32.60%021%0.208CC..EExtended strand (participates in β ladder)trans-115.1158.4179.800000110.4I385 I391 Y392 F393 I394 Y415 Y418A218-I385 HydrophobicContact CB-CD1 4.05Å; A218-I391 HydrophobicContact CB-CG2 3.97Å; A218-Y392 PolarHBondContact N-O 2.78Å; A218-F393 HydrophobicContact CB-CD2 3.97Å; A218-F393 CarbonylContact O-C 3.55Å; A218-F393 VanDerWaalsContact O-CA 3.32Å; A218-F393 WeakPolarHBondContact O-CA 3.43Å; A218-I394 PolarHBondContact O-N 3.26Å; A218-Y415 HydrophobicContact CB-CE2 4.33Å; A218-Y418 HydrophobicContact CB-CE1 4.43Å
219G90.1Very high93.1Very high0 Ų029.4 Ų29.40%019%0.193CC..  trans140173176.700000113.6K225 F393G219-K225 PolarHBondContact O-NZ 2.7Å; G219-F393 VanDerWaalsContact CA-CE2 3.41Å
220P88.4Confident93Very high55 Ų5529.9 Ų29.936%0.35720%0.197SC..SBendtrans-58.4156.2-176.724.1-34.5000112.9G223 K225 E395P220-G223 PolarHBondContact O-N 2.92Å; P220-K225 PolarHBondContact O-NZ 3.25Å; P220-E395 HydrophobicContact CG-CG 4.25Å
221S85.8Confident93Very high97 Ų9725.2 Ų25.268%0.67818%0.177SC*.THydrogen-bonded Turntrans-56.7142171.7-520000110.6G223S221-G223 VanDerWaalsContact C-N 3.26Å; S221-G223 PolarHBondContact O-N 3.36Å
222G85.9Confident93Very high82 Ų8223.4 Ų23.485%0.84517%0.165SC*.THydrogen-bonded Turntrans75.37.5-176.300000115.2G224G222-G224 PolarHBondContact O-N 2.94Å
223G86.6Confident93.1Very high2 Ų219.6 Ų19.62%0.02114%0.144CC..SBendtrans-67-15175.200000115.3P220 S221 I394 G397P220-G223 PolarHBondContact O-N 2.92Å; S221-G223 VanDerWaalsContact C-N 3.26Å; S221-G223 PolarHBondContact O-N 3.36Å; G223-I394 WeakPolarHBondContact O-CG2 3.25Å; G223-G397 WeakPolarHBondContact O-CA 3.43Å; G223-G397 PolarHBondContact O-N 3.35Å; G223-G397 VanDerWaalsContact O-N 3.15Å
224G92.2Very high93.1Very high7 Ų719.7 Ų19.77%0.07214%0.141CC..SBendtrans104.58.1-178.500000115.2G222 T227 I228G222-G224 PolarHBondContact O-N 2.94Å; G224-T227 WeakPolarHBondContact O-CA 3.26Å; G224-T227 VanDerWaalsContact O-CB 3.29Å; G224-T227 WeakPolarHBondContact O-CB 3.46Å; G224-T227 PolarHBondContact O-N 3.1Å; G224-T227 VanDerWaalsContact O-N 3.11Å; G224-I228 PolarHBondContact O-N 3.09Å; G224-I228 VanDerWaalsContact O-N 3.08Å
225K93.3Very high93Very high9 Ų923.8 Ų23.84%0.03916%0.158CC..Hα-helixtrans-56.3-55.7-177.9-52.1-174.1-63-85.30113F217 G219 P220 T227 I228 F229 I378 I394F217-K225 HydrophobicContact CB-CD 4.42Å; F217-K225 HydrophobicContact CB-CG 4.42Å; G219-K225 PolarHBondContact O-NZ 2.7Å; P220-K225 PolarHBondContact O-NZ 3.25Å; K225-T227 PolarHBondContact O-N 3.2Å; K225-I228 WeakPolarHBondContact O-CB 3.3Å; K225-I228 PolarHBondContact O-N 3.28Å; K225-F229 PolarHBondContact O-N 2.78Å; K225-I378 VanDerWaalsContact C-CD1 3.5Å; K225-I378 HydrophobicContact CB-CD1 3.97Å; K225-I378 HydrophobicContact CB-CG1 4.03Å; K225-I378 HydrophobicContact CB-CG2 3.91Å; K225-I378 HydrophobicContact CD-CG2 3.95Å; K225-I394 HydrophobicContact CG-CB 4.48Å; K225-I394 HydrophobicContact CG-CD1 4.26Å
226S93Very high93Very high60 Ų6028.9 Ų28.942%0.4218%0.178SC..Hα-helixtrans-64.4-24.1177.4-42.10000112.6F229 A230S226-F229 WeakPolarHBondContact O-CB 3.44Å; S226-F229 PolarHBondContact O-N 3.28Å; S226-A230 PolarHBondContact O-N 3.26Å
227T95.2Very high92.9Very high12 Ų1233.6 Ų33.67%0.07420%0.2CC..Hα-helixtrans-70.2-34.3172.7-57.50000112F193 Y195 I201 L202 G224 K225 F229 A230 L231F193-T227 HydrophobicContact CD1-CG2 3.47Å; F193-T227 VanDerWaalsContact CD1-CG2 3.47Å; F193-T227 HydrophobicContact CE1-CG2 3.99Å; F193-T227 HydrophobicContact CG-CG2 4.34Å; Y195-T227 HydrophobicContact CE2-CG2 4.2Å; Y195-T227 PolarHBondContact OH-OG1 3.2Å; Y195-T227 VanDerWaalsContact OH-OG1 3.11Å; I201-T227 HydrophobicContact CG2-CG2 3.97Å; I201-T227 WeakPolarHBondContact CG2-OG1 3.28Å; L202-T227 HydrophobicContact CD1-CG2 3.99Å; L202-T227 HydrophobicContact CG-CG2 4.21Å; G224-T227 WeakPolarHBondContact O-CA 3.26Å; G224-T227 VanDerWaalsContact O-CB 3.29Å; G224-T227 WeakPolarHBondContact O-CB 3.46Å; G224-T227 PolarHBondContact O-N 3.1Å; G224-T227 VanDerWaalsContact O-N 3.11Å; K225-T227 PolarHBondContact O-N 3.2Å; T227-F229 VanDerWaalsContact C-N 3.27Å; T227-F229 PolarHBondContact O-N 3.39Å; T227-A230 PolarHBondContact O-N 3.28Å; T227-L231 HydrophobicContact CG2-CD1 4.39Å; T227-L231 VanDerWaalsContact O-CG 3.3Å; T227-L231 WeakPolarHBondContact O-CG 3.49Å; T227-L231 PolarHBondContact O-N 3.18Å
228I96.4Very high92.9Very high1 Ų134.9 Ų34.91%0.00521%0.208CC..Hα-helixtrans-60.1-43.6171.3-67.4173.5000110L202 V205 F207 F217 G224 K225 L231 L232 I394L202-I228 HydrophobicContact CD1-CG1 3.7Å; L202-I228 HydrophobicContact CD2-CD1 4.45Å; L202-I228 HydrophobicContact CD2-CG1 4.06Å; V205-I228 HydrophobicContact CG1-CD1 3.95Å; F207-I228 HydrophobicContact CE1-CD1 4.46Å; F207-I228 HydrophobicContact CE1-CG2 3.52Å; F207-I228 HydrophobicContact CZ-CG2 3.66Å; F217-I228 HydrophobicContact CD1-CD1 4.11Å; F217-I228 HydrophobicContact CE1-CD1 4.02Å; F217-I228 HydrophobicContact CE2-CG2 4.15Å; F217-I228 HydrophobicContact CZ-CD1 4.48Å; F217-I228 HydrophobicContact CZ-CG2 3.99Å; G224-I228 PolarHBondContact O-N 3.09Å; G224-I228 VanDerWaalsContact O-N 3.08Å; K225-I228 WeakPolarHBondContact O-CB 3.3Å; K225-I228 PolarHBondContact O-N 3.28Å; I228-L231 PolarHBondContact O-N 2.98Å; I228-L232 HydrophobicContact CG2-CD1 3.96Å; I228-L232 HydrophobicContact CG2-CG 4.48Å; I228-L232 WeakPolarHBondContact O-CG 3.49Å; I228-L232 PolarHBondContact O-N 2.99Å; I228-I394 HydrophobicContact CD1-CD1 3.24Å
229F96.3Very high93.1Very high1 Ų138.5 Ų38.50%0.00423%0.23CC..Hα-helixtrans-62-47.6177-83.227.3000111.6F217 K225 S226 T227 L231 L232 E233 Y264 M346 L347 D348 L376 I378F217-F229 AromaticContact CD2-CE1 3.9Å; F217-F229 HydrophobicContact CD2-CE1 3.9Å; F217-F229 HydrophobicContact CE2-CE1 4.02Å; K225-F229 PolarHBondContact O-N 2.78Å; S226-F229 WeakPolarHBondContact O-CB 3.44Å; S226-F229 PolarHBondContact O-N 3.28Å; T227-F229 VanDerWaalsContact C-N 3.27Å; T227-F229 PolarHBondContact O-N 3.39Å; F229-L231 PolarHBondContact O-N 2.9Å; F229-L232 HydrophobicContact CD1-CD1 4.47Å; F229-L232 WeakPolarHBondContact O-CB 3.3Å; F229-L232 PolarHBondContact O-N 3.41Å; F229-E233 WeakPolarHBondContact O-CG 3.43Å; F229-E233 PolarHBondContact O-N 2.92Å; F229-Y264 HydrophobicContact CD2-CD2 4.41Å; F229-Y264 AromaticContact CD2-CE2 3.75Å; F229-Y264 HydrophobicContact CD2-CE2 3.75Å; F229-Y264 HydrophobicContact CE2-CE2 4.14Å; F229-M346 VanDerWaalsContact CA-CE 3.45Å; F229-M346 HydrophobicContact CB-CE 3.4Å; F229-M346 VanDerWaalsContact CB-CE 3.4Å; F229-M346 HydrophobicContact CD1-CE 3.65Å; F229-M346 HydrophobicContact CD2-CB 4.2Å; F229-M346 HydrophobicContact CD2-CE 3.46Å; F229-M346 VanDerWaalsContact CD2-CE 3.46Å; F229-M346 HydrophobicContact CE1-CE 4.21Å; F229-M346 HydrophobicContact CE2-CB 3.8Å; F229-M346 HydrophobicContact CE2-CE 4.06Å; F229-M346 HydrophobicContact CG-CE 3.21Å; F229-M346 HydrophobicContact CZ-CB 4.18Å; F229-M346 HydrophobicContact CZ-CE 4.39Å; F229-L347 WeakPolarHBondContact CE2-O 3.48Å; F229-D348 HydrophobicContact CD2-CB 4.15Å; F229-D348 HydrophobicContact CE2-CB 4.05Å; F229-L376 HydrophobicContact CE1-CB 4Å; F229-L376 HydrophobicContact CZ-CB 4.16Å; F229-L376 WeakPolarHBondContact CZ-O 3.28Å; F229-I378 HydrophobicContact CB-CD1 4.45Å; F229-I378 HydrophobicContact CD1-CD1 3.75Å; F229-I378 HydrophobicContact CD1-CG1 4.09Å; F229-I378 HydrophobicContact CD2-CD1 3.69Å; F229-I378 HydrophobicContact CD2-CG1 4.36Å; F229-I378 HydrophobicContact CE1-CD1 3.86Å; F229-I378 HydrophobicContact CE1-CG1 3.68Å; F229-I378 HydrophobicContact CE2-CD1 3.8Å; F229-I378 HydrophobicContact CE2-CG1 3.98Å; F229-I378 HydrophobicContact CG-CD1 3.68Å; F229-I378 HydrophobicContact CG-CG1 4.43Å; F229-I378 HydrophobicContact CZ-CD1 3.89Å; F229-I378 HydrophobicContact CZ-CG1 3.63Å
230A96.1Very high93.3Very high10 Ų1039.7 Ų39.78%0.08324%0.242CC..Hα-helixtrans-59.8-30.7177.400000113.6S226 T227 R234 F235 Y236S226-A230 PolarHBondContact O-N 3.26Å; T227-A230 PolarHBondContact O-N 3.28Å; A230-R234 PolarHBondContact O-N 3.33Å; A230-F235 HydrophobicContact CB-CD2 4.46Å; A230-F235 PolarHBondContact O-N 3.04Å; A230-Y236 HydrophobicContact CB-CD2 3.96Å; A230-Y236 HydrophobicContact CB-CE2 4.24Å
231L96.6Very high93.7Very high3 Ų339 Ų392%0.01625%0.245CC..Hα-helixtrans-75.6-39173.8-68.4171.2000112.2L191 F193 L202 T227 I228 F229 R234 P238L191-L231 HydrophobicContact CD1-CD1 4.32Å; L191-L231 HydrophobicContact CD2-CB 4.45Å; L191-L231 HydrophobicContact CD2-CD1 3.59Å; L191-L231 HydrophobicContact CG-CD1 3.92Å; F193-L231 HydrophobicContact CB-CD1 3.88Å; F193-L231 HydrophobicContact CD2-CD2 3.83Å; F193-L231 HydrophobicContact CE2-CD2 4.21Å; F193-L231 HydrophobicContact CG-CD1 4.18Å; F193-L231 HydrophobicContact CG-CD2 4.09Å; L202-L231 HydrophobicContact CD1-CD1 3.6Å; T227-L231 HydrophobicContact CG2-CD1 4.39Å; T227-L231 VanDerWaalsContact O-CG 3.3Å; T227-L231 WeakPolarHBondContact O-CG 3.49Å; T227-L231 PolarHBondContact O-N 3.18Å; I228-L231 PolarHBondContact O-N 2.98Å; F229-L231 PolarHBondContact O-N 2.9Å; L231-R234 WeakPolarHBondContact O-CA 3.39Å; L231-R234 PolarHBondContact O-N 3.07Å; L231-R234 VanDerWaalsContact O-N 3.09Å; L231-P238 HydrophobicContact CD2-CB 4.37Å
232L96.5Very high94.2Very high4 Ų434.9 Ų34.92%0.02122%0.216CC..Hα-helixtrans-64.4-40173.4-73.3166.4000111.9I186 F207 I228 F229 R234 V243 W258 M346 L376I186-L232 HydrophobicContact CG2-CD2 3.92Å; F207-L232 HydrophobicContact CZ-CD1 4.16Å; F207-L232 HydrophobicContact CZ-CD2 4.32Å; F207-L232 HydrophobicContact CZ-CG 4.48Å; I228-L232 HydrophobicContact CG2-CD1 3.96Å; I228-L232 HydrophobicContact CG2-CG 4.48Å; I228-L232 WeakPolarHBondContact O-CG 3.49Å; I228-L232 PolarHBondContact O-N 2.99Å; F229-L232 HydrophobicContact CD1-CD1 4.47Å; F229-L232 WeakPolarHBondContact O-CB 3.3Å; F229-L232 PolarHBondContact O-N 3.41Å; L232-R234 PolarHBondContact O-N 3.5Å; L232-V243 HydrophobicContact CD2-CG1 3.82Å; L232-W258 PolarHBondContact O-NE1 3.37Å; L232-M346 HydrophobicContact CB-CE 4.01Å; L232-M346 HydrophobicContact CB-SD 4.19Å; L232-M346 HydrophobicContact CD1-CE 4.18Å; L232-L376 HydrophobicContact CD1-CD2 3.55Å
233E95.2Very high94.7Very high24 Ų2431.1 Ų31.111%0.11218%0.177CC..THydrogen-bonded Turntrans-72-5.1173.6-67.7-179.4101.200113.2F229 F235 R259 M346F229-E233 WeakPolarHBondContact O-CG 3.43Å; F229-E233 PolarHBondContact O-N 2.92Å; E233-F235 HydrophobicContact CB-CD1 4.49Å; E233-F235 HydrophobicContact CB-CD2 4.03Å; E233-F235 HydrophobicContact CB-CE1 4.42Å; E233-F235 HydrophobicContact CB-CE2 3.96Å; E233-F235 HydrophobicContact CB-CG 4.29Å; E233-F235 HydrophobicContact CB-CZ 4.15Å; E233-F235 HydrophobicContact CG-CE2 4.42Å; E233-F235 PolarHBondContact O-N 3.47Å; E233-F235 WeakPolarHBondContact OE2-CE2 3.34Å; E233-R259 PolarHBondContact O-NE 2.88Å; E233-R259 PolarHBondContact O-NH2 3.24Å; E233-R259 VanDerWaalsContact O-NH2 3.12Å; E233-M346 HydrophobicContact CG-CE 4.01Å; E233-M346 HydrophobicContact CG-SD 4.3Å
234R94.8Very high95.2Very high24 Ų2433.7 Ų33.79%0.09119%0.187CC..THydrogen-bonded Turntrans55.330.9-176.6-63.1173.461-165-1.4113A230 L231 L232 Y236 I250 D251 L253 L255 R259A230-R234 PolarHBondContact O-N 3.33Å; L231-R234 WeakPolarHBondContact O-CA 3.39Å; L231-R234 PolarHBondContact O-N 3.07Å; L231-R234 VanDerWaalsContact O-N 3.09Å; L232-R234 PolarHBondContact O-N 3.5Å; R234-Y236 PolarHBondContact O-N 3.01Å; R234-I250 HydrophobicContact CG-CD1 3.78Å; R234-I250 HydrophobicContact CG-CG1 4.27Å; R234-I250 PolarHBondContact NE-O 3.43Å; R234-I250 PolarHBondContact NH1-O 2.94Å; R234-D251 PolarHBondContact NH2-O 3.34Å; R234-L253 PolarHBondContact NH1-O 3.04Å; R234-L255 HydrophobicContact CB-CD1 3.9Å; R234-R259 PolarHBondContact O-NH2 2.93Å
235F94.3Very high95.4Very high108 Ų10833.4 Ų33.447%0.47418%0.184SC..SBendtrans-67.3-24.3167.5-66-30.9000111.6A230 E233A230-F235 HydrophobicContact CB-CD2 4.46Å; A230-F235 PolarHBondContact O-N 3.04Å; E233-F235 HydrophobicContact CB-CD1 4.49Å; E233-F235 HydrophobicContact CB-CD2 4.03Å; E233-F235 HydrophobicContact CB-CE1 4.42Å; E233-F235 HydrophobicContact CB-CE2 3.96Å; E233-F235 HydrophobicContact CB-CG 4.29Å; E233-F235 HydrophobicContact CB-CZ 4.15Å; E233-F235 HydrophobicContact CG-CE2 4.42Å; E233-F235 PolarHBondContact O-N 3.47Å; E233-F235 WeakPolarHBondContact OE2-CE2 3.34Å
236Y94.8Very high95.5Very high108 Ų10834.3 Ų34.342%0.42420%0.196SC..SBendtrans-135.3156.8173.4-56.7-82.2000110.5F193 Y195 A230 R234F193-Y236 HydrophobicContact CE2-CG 4.26Å; F193-Y236 AromaticContact CZ-CD1 3.95Å; F193-Y236 HydrophobicContact CZ-CD1 3.95Å; F193-Y236 HydrophobicContact CZ-CD2 4.43Å; F193-Y236 AromaticContact CZ-CG 3.73Å; F193-Y236 HydrophobicContact CZ-CG 3.73Å; Y195-Y236 HydrophobicContact CD1-CE1 4.24Å; Y195-Y236 HydrophobicContact CE1-CD1 4.49Å; Y195-Y236 HydrophobicContact CE1-CD2 4.03Å; Y195-Y236 HydrophobicContact CE1-CE1 4.14Å; Y195-Y236 AromaticContact CE1-CE2 3.65Å; Y195-Y236 HydrophobicContact CE1-CE2 3.65Å; Y195-Y236 HydrophobicContact CE1-CG 4.44Å; Y195-Y236 AromaticContact CE1-CZ 3.7Å; A230-Y236 HydrophobicContact CB-CD2 3.96Å; A230-Y236 HydrophobicContact CB-CE2 4.24Å; R234-Y236 PolarHBondContact O-N 3.01Å
237Q92.7Very high95.4Very high99 Ų9939.2 Ų39.246%0.46322%0.218SC..  trans-96134.6172.1-72.7-68.3-40.700109.4F193 D251F193-Q237 WeakPolarHBondContact CD2-O 3.24Å; F193-Q237 WeakPolarHBondContact CE2-O 3.43Å; Q237-D251 PolarHBondContact NE2-OD1 2.83Å; Q237-D251 PolarHBondContact OE1-OD1 3.18Å; Q237-D251 VanDerWaalsContact OE1-OD1 3.06Å
238P95.5Very high95.4Very high27 Ų2741.4 Ų41.418%0.17523%0.227CC..  trans-63.8142.8178.227.1-33.3000110.8L191 L231 G240L191-P238 HydrophobicContact CD1-CB 3.48Å; L191-P238 VanDerWaalsContact CD1-CB 3.48Å; L191-P238 HydrophobicContact CD1-CG 4.02Å; L191-P238 HydrophobicContact CG-CB 4.45Å; L231-P238 HydrophobicContact CD2-CB 4.37Å; P238-G240 VanDerWaalsContact C-N 3.26Å
239T94.8Very high95.3Very high75 Ų7545.7 Ų45.746%0.4624%0.243SC..SBendtrans-79.4-15.5176.360.50000112S192 F193S192-T239 VanDerWaalsContact C-OG1 3.3Å; S192-T239 PolarHBondContact O-N 3.18Å; S192-T239 PolarHBondContact O-OG1 3.29Å; F193-T239 VanDerWaalsContact CA-OG1 3.3Å; F193-T239 WeakPolarHBondContact CA-OG1 3.16Å; F193-T239 HydrophobicContact CD2-CG2 4.14Å; F193-T239 PolarHBondContact N-OG1 3.14Å
240G95.2Very high95.3Very high25 Ų2545.8 Ų45.826%0.25824%0.244SC..EExtended strand (participates in β ladder)trans-160.7157.2172.800000111.2L191 S192 P238L191-G240 WeakPolarHBondContact CA-O 3.39Å; S192-G240 PolarHBondContact N-O 3.33Å; S192-G240 PolarHBondContact O-N 3.35Å; S192-G240 VanDerWaalsContact O-N 3.15Å; P238-G240 VanDerWaalsContact C-N 3.26Å
241G96Very high95.1Very high40 Ų4046.9 Ų46.941%0.41225%0.248SC..EExtended strand (participates in β ladder)trans82.2-169-175.600000113.3E189 N190E189-G241 CarbonylContact O-C 3.51Å; E189-G241 WeakPolarHBondContact O-CA 3.45Å; N190-G241 WeakPolarHBondContact O-CA 3.29Å
242T96.5Very high94.9Very high12 Ų1250.6 Ų50.67%0.07427%0.268CS..EExtended strand (participates in β ladder)trans-151.9152.7-179.7-175.20000111A188 E189 K244 R249A188-T242 WeakPolarHBondContact CA-O 3.15Å; E189-T242 HydrophobicContact CB-CG2 4.14Å; E189-T242 PolarHBondContact N-O 3.4Å; E189-T242 PolarHBondContact O-N 3.01Å; T242-K244 HydrophobicContact CG2-CG 4.49Å; T242-R249 PolarHBondContact OG1-NH1 2.82Å; T242-R249 PolarHBondContact OG1-NH2 3.31Å
243V97.2Very high94.8Very high3 Ų350.4 Ų50.42%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-115.1132.5168.9-174.20000108.6I186 K187 A188 L191 L232 I250I186-V243 HydrophobicContact CG2-CG1 4.28Å; K187-V243 CarbonylContact O-C 3.49Å; K187-V243 WeakPolarHBondContact O-CA 2.97Å; A188-V243 HydrophobicContact CB-CG2 4.21Å; L191-V243 HydrophobicContact CD1-CG2 3.74Å; L191-V243 HydrophobicContact CD2-CG2 4.35Å; L232-V243 HydrophobicContact CD2-CG1 3.82Å; V243-I250 HydrophobicContact CB-CD1 3.61Å; V243-I250 HydrophobicContact CB-CG1 3.91Å; V243-I250 HydrophobicContact CG1-CD1 3.75Å; V243-I250 HydrophobicContact CG1-CG1 4.28Å; V243-I250 HydrophobicContact CG1-CG2 4.1Å; V243-I250 HydrophobicContact CG2-CD1 4.33Å; V243-I250 PolarHBondContact O-N 3.33Å
244K96.7Very high94.7Very high56 Ų5649.5 Ų49.524%0.24326%0.263CS..EExtended strand (participates in β ladder)trans-124.8152.6-178.9-65.8172.3-178.7157.80111I186 K187 E189 T242 E248 R249I186-K244 CarbonylContact C-O 3.49Å; I186-K244 WeakPolarHBondContact CA-O 3.31Å; K187-K244 PolarHBondContact N-O 3.49Å; K187-K244 PolarHBondContact O-N 2.83Å; E189-K244 IonicContact OE2-NZ 3.98Å; E189-K244 PolarHBondContact OE2-NZ 3.49Å; T242-K244 HydrophobicContact CG2-CG 4.49Å; K244-E248 CarbonylContact C-O 3.52Å; K244-E248 WeakPolarHBondContact CA-O 3.22Å; K244-E248 WeakPolarHBondContact CB-O 3.43Å; K244-R249 HydrophobicContact CG-CG 4.3Å
245I96.3Very high94.7Very high1 Ų148.6 Ų48.61%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-123105.8168.6-179.766.7000108.6V181 K184 T185 I186 D247 E248 I250 L253 W258 I344V181-I245 HydrophobicContact CB-CD1 4.16Å; V181-I245 HydrophobicContact CB-CG1 3.86Å; V181-I245 HydrophobicContact CG1-CG1 3.93Å; K184-I245 HydrophobicContact CB-CD1 3.61Å; K184-I245 HydrophobicContact CB-CG1 3.79Å; K184-I245 HydrophobicContact CD-CG1 4.31Å; T185-I245 CarbonylContact O-C 3.56Å; T185-I245 WeakPolarHBondContact O-CA 3.32Å; I186-I245 HydrophobicContact CG1-CD1 3.64Å; I245-D247 PolarHBondContact O-N 2.77Å; I245-E248 PolarHBondContact N-O 3.41Å; I245-E248 PolarHBondContact O-N 2.76Å; I245-I250 HydrophobicContact CB-CG2 4.38Å; I245-I250 HydrophobicContact CG2-CG2 4.1Å; I245-L253 HydrophobicContact CG2-CD1 3.57Å; I245-W258 HydrophobicContact CB-CZ3 4.21Å; I245-W258 HydrophobicContact CG1-CZ3 4.29Å; I245-W258 HydrophobicContact CG2-CZ3 4.15Å; I245-I344 HydrophobicContact CD1-CD1 4.49Å
246G94.5Very high94.7Very high28 Ų2846.5 Ų46.529%0.28926%0.257SS..THydrogen-bonded Turntrans62.4-122.9-161.700000110.1T185T185-G246 PolarHBondContact O-N 2.91Å
247D92.5Very high94.6Very high163 Ų16343 Ų4387%0.87225%0.245SC*.THydrogen-bonded Turntrans-94.4-8179.7-62.4-45.7000114I245I245-D247 PolarHBondContact O-N 2.77Å
248E94.5Very high94.8Very high57 Ų5738.4 Ų38.427%0.26622%0.224SC..EExtended strand (participates in β ladder)trans-94.5136.8-175-62-75.1172.700110.5K177 K244 I245 L253K177-E248 VanDerWaalsContact NZ-CD 3.33Å; K177-E248 IonicContact NZ-OE1 3.9Å; K177-E248 PolarHBondContact NZ-OE1 3.41Å; K177-E248 IonicContact NZ-OE2 3.48Å; K177-E248 PolarHBondContact NZ-OE2 3.45Å; K244-E248 CarbonylContact C-O 3.52Å; K244-E248 WeakPolarHBondContact CA-O 3.22Å; K244-E248 WeakPolarHBondContact CB-O 3.43Å; I245-E248 PolarHBondContact N-O 3.41Å; I245-E248 PolarHBondContact O-N 2.76Å; E248-L253 HydrophobicContact CB-CD2 4.24Å
249R95.2Very high94.8Very high91 Ų9140.1 Ų40.134%0.34323%0.226SC..EExtended strand (participates in β ladder)trans-71.8138.2170.9-61.5172.356.194.410.3109T242 K244 D251 D252T242-R249 PolarHBondContact OG1-NH1 2.82Å; T242-R249 PolarHBondContact OG1-NH2 3.31Å; K244-R249 HydrophobicContact CG-CG 4.3Å; R249-D251 IonicContact CZ-OD2 3.79Å; R249-D251 IonicContact NE-OD2 3.76Å; R249-D251 IonicContact NH2-OD2 2.9Å; R249-D251 PolarHBondContact NH2-OD2 2.93Å; R249-D251 PolarHBondContact O-N 2.94Å; R249-D251 VanDerWaalsContact O-N 3.16Å; R249-D252 WeakPolarHBondContact CB-OD2 3.46Å; R249-D252 PolarHBondContact O-N 3.28Å; R249-D252 VanDerWaalsContact O-N 3.1Å
250I94.8Very high94.7Very high4 Ų439.2 Ų39.22%0.02122%0.224CC..G310 helixtrans-64.1-23.4178.968.8171.7000112.4R234 V243 I245 D252 L253 W258R234-I250 HydrophobicContact CG-CD1 3.78Å; R234-I250 HydrophobicContact CG-CG1 4.27Å; R234-I250 PolarHBondContact NE-O 3.43Å; R234-I250 PolarHBondContact NH1-O 2.94Å; V243-I250 HydrophobicContact CB-CD1 3.61Å; V243-I250 HydrophobicContact CB-CG1 3.91Å; V243-I250 HydrophobicContact CG1-CD1 3.75Å; V243-I250 HydrophobicContact CG1-CG1 4.28Å; V243-I250 HydrophobicContact CG1-CG2 4.1Å; V243-I250 HydrophobicContact CG2-CD1 4.33Å; V243-I250 PolarHBondContact O-N 3.33Å; I245-I250 HydrophobicContact CB-CG2 4.38Å; I245-I250 HydrophobicContact CG2-CG2 4.1Å; I250-D252 VanDerWaalsContact C-N 3.28Å; I250-D252 PolarHBondContact O-N 3.4Å; I250-L253 PolarHBondContact O-N 3.27Å; I250-W258 HydrophobicContact CG2-CH2 4.03Å; I250-W258 HydrophobicContact CG2-CZ2 4.04Å; I250-W258 HydrophobicContact CG2-CZ3 4.33Å
251D92.3Very high94.7Very high33 Ų3339 Ų3918%0.17622%0.215CC..G310 helixtrans-67.3-28177.3-56.6-42.1000112.9R234 Q237 R249 L253R234-D251 PolarHBondContact NH2-O 3.34Å; Q237-D251 PolarHBondContact NE2-OD1 2.83Å; Q237-D251 PolarHBondContact OE1-OD1 3.18Å; Q237-D251 VanDerWaalsContact OE1-OD1 3.06Å; R249-D251 IonicContact CZ-OD2 3.79Å; R249-D251 IonicContact NE-OD2 3.76Å; R249-D251 IonicContact NH2-OD2 2.9Å; R249-D251 PolarHBondContact NH2-OD2 2.93Å; R249-D251 PolarHBondContact O-N 2.94Å; R249-D251 VanDerWaalsContact O-N 3.16Å; D251-L253 VanDerWaalsContact C-N 3.3Å
252D92.9Very high94.7Very high80 Ų8037.6 Ų37.643%0.42820%0.199SC..G310 helixtrans-86.2-3.9-178.2-60.6-31.6000112.3G176 K177 R249 I250G176-D252 CarbonylContact C-O 3.52Å; G176-D252 WeakPolarHBondContact CA-O 3.28Å; K177-D252 PolarHBondContact N-O 2.92Å; R249-D252 WeakPolarHBondContact CB-OD2 3.46Å; R249-D252 PolarHBondContact O-N 3.28Å; R249-D252 VanDerWaalsContact O-N 3.1Å; I250-D252 VanDerWaalsContact C-N 3.28Å; I250-D252 PolarHBondContact O-N 3.4Å
253L93.5Very high94.6Very high0 Ų037.1 Ų37.10%020%0.196CC..BIsolated β-bridgetrans-90147.2-179.3-55.4-173.6000111.6K177 V179 R234 I245 E248 I250 D251 L255 W258K177-L253 HydrophobicContact CB-CD2 4.4Å; K177-L253 WeakPolarHBondContact O-CA 3.44Å; V179-L253 HydrophobicContact CB-CD1 4.46Å; V179-L253 HydrophobicContact CB-CD2 3.77Å; V179-L253 HydrophobicContact CG2-CD2 3.38Å; R234-L253 PolarHBondContact NH1-O 3.04Å; I245-L253 HydrophobicContact CG2-CD1 3.57Å; E248-L253 HydrophobicContact CB-CD2 4.24Å; I250-L253 PolarHBondContact O-N 3.27Å; D251-L253 VanDerWaalsContact C-N 3.3Å; L253-L255 PolarHBondContact O-N 3.46Å; L253-W258 HydrophobicContact CD1-CE3 4.07Å
254S94.8Very high94.4Very high6 Ų640.6 Ų40.64%0.04221%0.209CC..  trans-57.6131.8166158.30000109I173 E174 K177 N257 W258I173-S254 PolarHBondContact O-OG 3.38Å; E174-S254 PolarHBondContact OE2-OG 3.49Å; K177-S254 PolarHBondContact O-N 3.12Å; S254-N257 PolarHBondContact O-N 3.48Å; S254-N257 PolarHBondContact OG-N 3.05Å; S254-W258 WeakPolarHBondContact O-CB 3.47Å; S254-W258 PolarHBondContact O-N 2.9Å
255L94.5Very high94.2Very high4 Ų437.9 Ų37.92%0.02120%0.198CC..Hα-helixtrans-70.9-37.1-174.5-170.162.9000111.7E171 I173 R234 L253 N257 W258 R259E171-L255 HydrophobicContact CG-CD2 3.61Å; E171-L255 VanDerWaalsContact OE1-CD2 3.3Å; E171-L255 WeakPolarHBondContact OE1-CD2 3.43Å; E171-L255 VanDerWaalsContact OE2-CD2 3.23Å; E171-L255 WeakPolarHBondContact OE2-CD2 3.19Å; I173-L255 WeakPolarHBondContact O-CB 3.32Å; I173-L255 PolarHBondContact O-N 2.98Å; R234-L255 HydrophobicContact CB-CD1 3.9Å; L253-L255 PolarHBondContact O-N 3.46Å; L255-N257 VanDerWaalsContact C-N 3.34Å; L255-W258 PolarHBondContact O-N 3.17Å; L255-R259 HydrophobicContact CD1-CG 4.24Å; L255-R259 VanDerWaalsContact CD2-NH1 3.27Å; L255-R259 HydrophobicContact CG-CG 4.46Å; L255-R259 WeakPolarHBondContact O-CB 3.41Å; L255-R259 PolarHBondContact O-N 2.98Å
256T93.5Very high94Very high65 Ų6538.8 Ų38.840%0.39920%0.204SC..Hα-helixtrans-57.8-49.6171.7-59.50000110.3I173 E174 S260I173-T256 WeakPolarHBondContact CG2-OG1 3.42Å; E174-T256 VanDerWaalsContact OE1-CB 3.27Å; E174-T256 WeakPolarHBondContact OE1-CB 3.44Å; E174-T256 PolarHBondContact OE1-OG1 3.04Å; T256-S260 VanDerWaalsContact O-CB 3.26Å; T256-S260 WeakPolarHBondContact O-CB 3.26Å; T256-S260 PolarHBondContact O-N 3.33Å; T256-S260 PolarHBondContact O-OG 2.89Å
257N93.5Very high93.5Very high35 Ų3541 Ų4119%0.18721%0.207CC..Hα-helixtrans-66-39.1-179.5174.5-101.2000112.4A178 V179 S254 L255 S260 Q261A178-N257 HydrophobicContact CB-CB 4.23Å; V179-N257 PolarHBondContact N-OD1 3.45Å; V179-N257 PolarHBondContact O-OD1 3.38Å; S254-N257 PolarHBondContact O-N 3.48Å; S254-N257 PolarHBondContact OG-N 3.05Å; L255-N257 VanDerWaalsContact C-N 3.34Å; N257-S260 PolarHBondContact O-OG 3.46Å; N257-Q261 PolarHBondContact O-NE2 3.43Å; N257-Q261 PolarHBondContact OD1-NE2 3.31Å
258W95.5Very high93Very high2 Ų240.1 Ų40.11%0.00820%0.202CC..Hα-helixtrans-64.6-55176.1174.9-118.9000111.3V181 L232 I245 I250 L253 S254 L255 S260 Q261 I262 I344V181-W258 HydrophobicContact CG1-CE3 3.95Å; V181-W258 HydrophobicContact CG1-CZ3 3.79Å; L232-W258 PolarHBondContact O-NE1 3.37Å; I245-W258 HydrophobicContact CB-CZ3 4.21Å; I245-W258 HydrophobicContact CG1-CZ3 4.29Å; I245-W258 HydrophobicContact CG2-CZ3 4.15Å; I250-W258 HydrophobicContact CG2-CH2 4.03Å; I250-W258 HydrophobicContact CG2-CZ2 4.04Å; I250-W258 HydrophobicContact CG2-CZ3 4.33Å; L253-W258 HydrophobicContact CD1-CE3 4.07Å; S254-W258 WeakPolarHBondContact O-CB 3.47Å; S254-W258 PolarHBondContact O-N 2.9Å; L255-W258 PolarHBondContact O-N 3.17Å; W258-S260 VanDerWaalsContact C-N 3.32Å; W258-S260 PolarHBondContact O-N 3.01Å; W258-Q261 PolarHBondContact O-N 2.65Å; W258-I262 HydrophobicContact CD2-CD1 3.93Å; W258-I262 HydrophobicContact CG-CD1 4.26Å; W258-I262 HydrophobicContact CH2-CD1 4.35Å; W258-I262 HydrophobicContact CZ2-CD1 3.63Å; W258-I262 HydrophobicContact CZ2-CG1 4.44Å; W258-I344 HydrophobicContact CH2-CD1 3.5Å; W258-I344 HydrophobicContact CZ3-CD1 3.6Å
259R95.3Very high92.4Very high62 Ų6237.6 Ų37.623%0.23419%0.191CC..Hα-helixtrans-66.5-31-176.9-71.2-178.5177.3148.15.4112.3E171 E233 R234 L255 Q261 I262 R340E171-R259 IonicContact OE1-CZ 3.48Å; E171-R259 IonicContact OE1-NH1 3.23Å; E171-R259 PolarHBondContact OE1-NH1 2.94Å; E171-R259 IonicContact OE1-NH2 2.77Å; E171-R259 PolarHBondContact OE1-NH2 3.15Å; E171-R259 IonicContact OE2-CZ 3.71Å; E171-R259 IonicContact OE2-NH1 2.79Å; E171-R259 PolarHBondContact OE2-NH1 2.91Å; E171-R259 IonicContact OE2-NH2 3.84Å; E233-R259 PolarHBondContact O-NE 2.88Å; E233-R259 PolarHBondContact O-NH2 3.24Å; E233-R259 VanDerWaalsContact O-NH2 3.12Å; R234-R259 PolarHBondContact O-NH2 2.93Å; L255-R259 HydrophobicContact CD1-CG 4.24Å; L255-R259 VanDerWaalsContact CD2-NH1 3.27Å; L255-R259 HydrophobicContact CG-CG 4.46Å; L255-R259 WeakPolarHBondContact O-CB 3.41Å; L255-R259 PolarHBondContact O-N 2.98Å; R259-Q261 PolarHBondContact O-N 2.91Å; R259-I262 PolarHBondContact O-N 3.5Å; R259-R340 PolarHBondContact O-NH1 2.67Å; R259-R340 PolarHBondContact O-NH2 3.33Å
260S93.4Very high91.8Very high57 Ų5736 Ų3640%0.39920%0.197SC..Hα-helixtrans-61.3-23.4177.871.10000113.4T256 N257 W258 R340T256-S260 VanDerWaalsContact O-CB 3.26Å; T256-S260 WeakPolarHBondContact O-CB 3.26Å; T256-S260 PolarHBondContact O-N 3.33Å; T256-S260 PolarHBondContact O-OG 2.89Å; N257-S260 PolarHBondContact O-OG 3.46Å; W258-S260 VanDerWaalsContact C-N 3.32Å; W258-S260 PolarHBondContact O-N 3.01Å; S260-R340 PolarHBondContact O-NH1 2.87Å
261Q95.1Very high91.5Very high19 Ų1936.2 Ų36.29%0.08920%0.199CC..THydrogen-bonded Turntrans-95.7-4.5-178.1-62.317584.900113.6V179 D180 V181 N257 W258 R259 K343 I344V179-Q261 PolarHBondContact O-NE2 3.04Å; D180-Q261 PolarHBondContact OD1-OE1 3.12Å; V181-Q261 HydrophobicContact CG2-CB 3.76Å; V181-Q261 HydrophobicContact CG2-CG 4.32Å; V181-Q261 VanDerWaalsContact CG2-OE1 3.3Å; N257-Q261 PolarHBondContact O-NE2 3.43Å; N257-Q261 PolarHBondContact OD1-NE2 3.31Å; W258-Q261 PolarHBondContact O-N 2.65Å; R259-Q261 PolarHBondContact O-N 2.91Å; Q261-K343 PolarHBondContact O-N 2.89Å; Q261-I344 PolarHBondContact O-N 3.47Å
262I95.7Very high91.3Very high12 Ų1239.3 Ų39.36%0.06221%0.211CC..EExtended strand (participates in β ladder)trans-106.9117.8-177.7-58.8168.5000110.9W258 R259 R340 I344 M346W258-I262 HydrophobicContact CD2-CD1 3.93Å; W258-I262 HydrophobicContact CG-CD1 4.26Å; W258-I262 HydrophobicContact CH2-CD1 4.35Å; W258-I262 HydrophobicContact CZ2-CD1 3.63Å; W258-I262 HydrophobicContact CZ2-CG1 4.44Å; R259-I262 PolarHBondContact O-N 3.5Å; I262-R340 PolarHBondContact O-NH1 3.46Å; I262-I344 CarbonylContact C-O 3.58Å; I262-I344 VanDerWaalsContact CA-O 3.3Å; I262-I344 WeakPolarHBondContact CA-O 3.25Å; I262-I344 HydrophobicContact CG1-CB 4.26Å; I262-I344 HydrophobicContact CG1-CD1 4.41Å; I262-M346 HydrophobicContact CG2-CG 4.15Å; I262-M346 HydrophobicContact CG2-SD 3.6Å
263G94.6Very high91.2Very high2 Ų238.7 Ų38.72%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-91.6128.4169.600000109.8I344 L345 M346G263-I344 PolarHBondContact N-O 3.44Å; G263-L345 CarbonylContact O-C 3.42Å; G263-M346 PolarHBondContact O-N 3.21Å
264Y94Very high91.2Very high75 Ų7539.1 Ų39.129%0.29422%0.221SC..EExtended strand (participates in β ladder)trans-117.9125.7178.2-177.5-125000110.9F229 M346 D348F229-Y264 HydrophobicContact CD2-CD2 4.41Å; F229-Y264 AromaticContact CD2-CE2 3.75Å; F229-Y264 HydrophobicContact CD2-CE2 3.75Å; F229-Y264 HydrophobicContact CE2-CE2 4.14Å; Y264-M346 WeakPolarHBondContact CA-O 3.33Å; Y264-M346 HydrophobicContact CD2-CB 3.81Å; Y264-M346 WeakPolarHBondContact CD2-O 3.3Å; Y264-D348 HydrophobicContact CE2-CB 3.8Å; Y264-D348 WeakPolarHBondContact OH-CB 3.46Å; Y264-D348 PolarHBondContact OH-OD2 3.14Å
265V92.7Very high91.2Very high0 Ų039 Ų390%022%0.22CC..EExtended strand (participates in β ladder)trans-116.8103.5174-178.80000107.4I334 A337 M346 L347 D348 A350 L366 L369V265-I334 HydrophobicContact CG1-CG1 4.1Å; V265-A337 HydrophobicContact CG2-CB 3.96Å; V265-M346 PolarHBondContact N-O 2.85Å; V265-L347 HydrophobicContact CB-CD2 3.65Å; V265-L347 HydrophobicContact CG1-CD2 4.46Å; V265-L347 HydrophobicContact CG2-CD2 3.77Å; V265-D348 PolarHBondContact O-N 3.16Å; V265-A350 HydrophobicContact CG1-CB 3.97Å; V265-L366 HydrophobicContact CG1-CD2 4.48Å; V265-L369 HydrophobicContact CG2-CD2 4.28Å
266S90.4Very high91.3Very high20 Ų2038.8 Ų38.814%0.1422%0.219CC..  trans-84.5159.8-176.866.60000113.3S269 Q330 D348S266-S269 PolarHBondContact O-N 3.35Å; S266-Q330 PolarHBondContact O-NE2 2.6Å; S266-D348 CarbonylContact C-O 3.6Å
267Q85.3Confident91.5Very high74 Ų7438.4 Ų38.435%0.34621%0.21SC..THydrogen-bonded Turntrans-58.5-45.8174.8-176.1174.220.600112.6S269 D348 E349 A352Q267-S269 PolarHBondContact O-N 2.96Å; Q267-D348 VanDerWaalsContact CA-O 3.28Å; Q267-D348 WeakPolarHBondContact CA-O 3.37Å; Q267-D348 WeakPolarHBondContact CB-O 3.23Å; Q267-D348 PolarHBondContact N-O 2.96Å; Q267-E349 HydrophobicContact CB-CB 4.13Å; Q267-E349 HydrophobicContact CG-CB 3.99Å; Q267-E349 PolarHBondContact NE2-OE2 3.21Å; Q267-E349 PolarHBondContact OE1-OE2 2.89Å; Q267-A352 HydrophobicContact CG-CB 4.34Å
268D81.8Confident91.6Very high144 Ų14442.3 Ų42.377%0.7723%0.227SC*.THydrogen-bonded Turntrans-73.7-6.4-176.8-71.5-24.6000113.9
269S82.3Confident91.6Very high5 Ų542.3 Ų42.34%0.03523%0.227CC..  trans4961.4-175.7-75.20000113.1S266 Q267 V271 Q330S266-S269 PolarHBondContact O-N 3.35Å; Q267-S269 PolarHBondContact O-N 2.96Å; S269-V271 PolarHBondContact O-N 3.06Å; S269-V271 VanDerWaalsContact O-N 3.11Å; S269-Q330 WeakPolarHBondContact OG-CA 3.31Å; S269-Q330 WeakPolarHBondContact OG-CB 3.45Å; S269-Q330 PolarHBondContact OG-N 2.94Å; S269-Q330 PolarHBondContact OG-NE2 2.98Å; S269-Q330 PolarHBondContact OG-OE1 3.3Å
270A82.1Confident91.6Very high56 Ų5639.4 Ų39.446%0.46322%0.217SC..  trans-61.5117.5-174.500000112.3R336A270-R336 PolarHBondContact O-NH1 3.38Å; A270-R336 VanDerWaalsContact O-NH1 3.12Å; A270-R336 PolarHBondContact O-NH2 3.28Å
271V87.6Confident91.7Very high10 Ų1038.2 Ų38.26%0.06121%0.205CC..  trans-122.5131.3177.6171.10000108.2S269 N279 L317 R320 K329S269-V271 PolarHBondContact O-N 3.06Å; S269-V271 VanDerWaalsContact O-N 3.11Å; V271-N279 WeakPolarHBondContact CG1-OD1 3.5Å; V271-L317 HydrophobicContact CG1-CB 4.15Å; V271-L317 HydrophobicContact CG1-CD1 3.35Å; V271-L317 HydrophobicContact CG1-CG 4.38Å; V271-R320 WeakPolarHBondContact O-CA 3.36Å; V271-K329 HydrophobicContact CG2-CB 4.29Å; V271-K329 HydrophobicContact CG2-CG 4.45Å
272F88.6Confident91.6Very high97 Ų9743.7 Ų43.743%0.42523%0.225SC..  trans-79.1155.2176.4-70.7-80.6000111N279 Y282F272-N279 PolarHBondContact N-OD1 3.48Å; F272-N279 PolarHBondContact O-ND2 3.46Å; F272-N279 PolarHBondContact O-OD1 3.01Å; F272-Y282 HydrophobicContact CD2-CD1 4.37Å; F272-Y282 HydrophobicContact CD2-CD2 4.03Å; F272-Y282 HydrophobicContact CD2-CE1 4.48Å; F272-Y282 HydrophobicContact CD2-CE2 4.14Å; F272-Y282 HydrophobicContact CD2-CG 4.14Å; F272-Y282 AromaticContact CE2-CD1 3.74Å; F272-Y282 HydrophobicContact CE2-CD1 3.74Å; F272-Y282 AromaticContact CE2-CD2 3.92Å; F272-Y282 HydrophobicContact CE2-CD2 3.92Å; F272-Y282 AromaticContact CE2-CE1 3.51Å; F272-Y282 HydrophobicContact CE2-CE1 3.51Å; F272-Y282 AromaticContact CE2-CE2 3.7Å; F272-Y282 HydrophobicContact CE2-CE2 3.7Å; F272-Y282 AromaticContact CE2-CG 3.93Å; F272-Y282 HydrophobicContact CE2-CG 3.93Å; F272-Y282 AromaticContact CE2-CZ 3.48Å; F272-Y282 VanDerWaalsContact CE2-CZ 3.48Å; F272-Y282 AromaticContact CZ-CE1 3.93Å; F272-Y282 HydrophobicContact CZ-CE1 3.93Å; F272-Y282 AromaticContact CZ-CE2 3.96Å; F272-Y282 HydrophobicContact CZ-CE2 3.96Å; F272-Y282 AromaticContact CZ-CZ 3.57Å
273A90.9Very high91.3Very high67 Ų6745.8 Ų45.855%0.55425%0.25SS*.SBendtrans-61.4143.1162.500000109.5G318A273-G318 WeakPolarHBondContact CA-O 3.43Å
274G93.3Very high91.2Very high9 Ų947.8 Ų47.89%0.09326%0.26CS..SBendtrans126.3-172.5-172.200000111.8E278 E316 L317G274-E278 VanDerWaalsContact CA-OE2 3.29Å; G274-E278 WeakPolarHBondContact CA-OE2 3.47Å; G274-E316 VanDerWaalsContact CA-OE2 3.25Å; G274-E316 WeakPolarHBondContact CA-OE2 3.43Å; G274-L317 PolarHBondContact O-N 3.39Å
275S95.8Very high90.9Very high3 Ų352.9 Ų52.92%0.02129%0.292CS..BIsolated β-bridgetrans-78164.3-177.6730000112.9R277 E278 N279 T315S275-R277 VanDerWaalsContact C-N 3.27Å; S275-R277 PolarHBondContact O-N 2.67Å; S275-E278 PolarHBondContact N-OE2 3.1Å; S275-E278 PolarHBondContact O-N 2.85Å; S275-E278 WeakPolarHBondContact OG-CG 3.4Å; S275-E278 PolarHBondContact OG-N 2.77Å; S275-E278 VanDerWaalsContact OG-N 3.13Å; S275-N279 PolarHBondContact O-N 3.13Å; S275-N279 PolarHBondContact O-ND2 3.2Å; S275-T315 WeakPolarHBondContact CA-O 3.27Å
276I96.5Very high90.9Very high0 Ų059.7 Ų59.70%032%0.318CS..Hα-helixtrans-59-42.6170.5-67.8174.5000110E278 N279 L280 V306 F309 L313 T315 L317 I332I276-E278 VanDerWaalsContact C-N 3.35Å; I276-E278 PolarHBondContact O-N 2.8Å; I276-N279 PolarHBondContact O-N 3.47Å; I276-L280 HydrophobicContact CG2-CD1 3.82Å; I276-L280 HydrophobicContact CG2-CG 4.13Å; I276-L280 WeakPolarHBondContact O-CB 3.27Å; I276-L280 VanDerWaalsContact O-CG 3.3Å; I276-L280 WeakPolarHBondContact O-CG 3.44Å; I276-L280 PolarHBondContact O-N 3.46Å; I276-V306 HydrophobicContact CD1-CG1 4.01Å; I276-V306 HydrophobicContact CD1-CG2 3.96Å; I276-V306 HydrophobicContact CG2-CG1 4.48Å; I276-F309 HydrophobicContact CD1-CD2 3.85Å; I276-F309 HydrophobicContact CD1-CE2 4Å; I276-L313 WeakPolarHBondContact CB-O 2.96Å; I276-L313 HydrophobicContact CG2-CD2 4.24Å; I276-L313 PolarHBondContact N-O 3.09Å; I276-T315 PolarHBondContact N-O 2.99Å; I276-L317 HydrophobicContact CD1-CD2 4.06Å; I276-L317 HydrophobicContact CG1-CD1 3.96Å; I276-L317 HydrophobicContact CG1-CD2 3.56Å; I276-L317 HydrophobicContact CG1-CG 3.93Å; I276-I332 HydrophobicContact CG2-CD1 4.15Å
277R97.2Very high91.1Very high58 Ų5864.4 Ų64.422%0.21935%0.346CS..Hα-helixtrans-55.8-46.6176.7175.5179.6-58.7-97.44.6112.4S275 Q281 L293 L313 E314S275-R277 VanDerWaalsContact C-N 3.27Å; S275-R277 PolarHBondContact O-N 2.67Å; R277-Q281 WeakPolarHBondContact O-CG 3.47Å; R277-Q281 PolarHBondContact O-N 2.81Å; R277-Q281 PolarHBondContact O-NE2 3.08Å; R277-L293 HydrophobicContact CG-CD1 4Å; R277-L313 HydrophobicContact CB-CB 4.34Å; R277-L313 WeakPolarHBondContact CB-O 3.36Å; R277-L313 PolarHBondContact N-O 3.43Å; R277-E314 IonicContact CZ-OE1 3.33Å; R277-E314 IonicContact NE-OE1 2.67Å; R277-E314 PolarHBondContact NE-OE1 2.91Å; R277-E314 IonicContact NH2-OE1 3.1Å; R277-E314 PolarHBondContact NH2-OE1 3.36Å; R277-E314 VanDerWaalsContact NH2-OE1 3.1Å
278E95.5Very high91.6Very high116 Ų11661.2 Ų61.254%0.54233%0.331SS..Hα-helixtrans-66.2-42.8179.4-72.6171.6159.900111.1G274 S275 I276 L280 Q281 Y282G274-E278 VanDerWaalsContact CA-OE2 3.29Å; G274-E278 WeakPolarHBondContact CA-OE2 3.47Å; S275-E278 PolarHBondContact N-OE2 3.1Å; S275-E278 PolarHBondContact O-N 2.85Å; S275-E278 WeakPolarHBondContact OG-CG 3.4Å; S275-E278 PolarHBondContact OG-N 2.77Å; S275-E278 VanDerWaalsContact OG-N 3.13Å; I276-E278 VanDerWaalsContact C-N 3.35Å; I276-E278 PolarHBondContact O-N 2.8Å; E278-L280 PolarHBondContact O-N 3.24Å; E278-Q281 PolarHBondContact O-N 3.41Å; E278-Y282 PolarHBondContact O-N 3.32Å; E278-Y282 VanDerWaalsContact O-N 3.09Å
279N95Very high92.3Very high2 Ų258 Ų581%0.01132%0.318CS..Hα-helixtrans-63.2-42.3178.2-88.1-86.1000113V271 F272 S275 I276 Q281 Y282 L317 R336V271-N279 WeakPolarHBondContact CG1-OD1 3.5Å; F272-N279 PolarHBondContact N-OD1 3.48Å; F272-N279 PolarHBondContact O-ND2 3.46Å; F272-N279 PolarHBondContact O-OD1 3.01Å; S275-N279 PolarHBondContact O-N 3.13Å; S275-N279 PolarHBondContact O-ND2 3.2Å; I276-N279 PolarHBondContact O-N 3.47Å; N279-Q281 VanDerWaalsContact C-N 3.26Å; N279-Q281 PolarHBondContact O-N 3.31Å; N279-Y282 WeakPolarHBondContact O-CB 3.25Å; N279-Y282 PolarHBondContact O-N 2.84Å; N279-L317 HydrophobicContact CB-CD1 4.42Å; N279-R336 WeakPolarHBondContact O-CD 3.43Å
280L96.3Very high93Very high1 Ų162.7 Ų62.71%0.00534%0.339CS..Hα-helixtrans-65.9-28.5179.1-73.1176.8000113I276 E278 L293 L297 L313 I332 A335 L339I276-L280 HydrophobicContact CG2-CD1 3.82Å; I276-L280 HydrophobicContact CG2-CG 4.13Å; I276-L280 WeakPolarHBondContact O-CB 3.27Å; I276-L280 VanDerWaalsContact O-CG 3.3Å; I276-L280 WeakPolarHBondContact O-CG 3.44Å; I276-L280 PolarHBondContact O-N 3.46Å; E278-L280 PolarHBondContact O-N 3.24Å; L280-L293 HydrophobicContact CB-CD2 3.92Å; L280-L293 HydrophobicContact CD1-CB 4.44Å; L280-L293 HydrophobicContact CD1-CD2 4.16Å; L280-L297 HydrophobicContact CD1-CD1 4.06Å; L280-L297 HydrophobicContact CD1-CD2 3.97Å; L280-L297 HydrophobicContact CD1-CG 3.91Å; L280-L297 HydrophobicContact CD2-CD2 4.18Å; L280-L313 HydrophobicContact CD1-CD2 4.21Å; L280-I332 HydrophobicContact CD2-CG2 4.34Å; L280-A335 HydrophobicContact CD2-CB 3.56Å; L280-L339 HydrophobicContact CB-CD1 3.78Å; L280-L339 HydrophobicContact CD1-CD1 4.47Å; L280-L339 HydrophobicContact CD2-CD1 4.07Å; L280-L339 HydrophobicContact CG-CD1 4.32Å
281Q95.3Very high93.7Very high32 Ų3268.7 Ų68.715%0.1535%0.354CS..THydrogen-bonded Turntrans-99.41.1-178-66.1175.597.900113.6R277 E278 N279 G283 L284 L288 L293R277-Q281 WeakPolarHBondContact O-CG 3.47Å; R277-Q281 PolarHBondContact O-N 2.81Å; R277-Q281 PolarHBondContact O-NE2 3.08Å; E278-Q281 PolarHBondContact O-N 3.41Å; N279-Q281 VanDerWaalsContact C-N 3.26Å; N279-Q281 PolarHBondContact O-N 3.31Å; Q281-G283 PolarHBondContact O-N 3.18Å; Q281-L284 WeakPolarHBondContact O-CB 3.35Å; Q281-L284 PolarHBondContact O-N 3.03Å; Q281-L284 VanDerWaalsContact O-N 3.08Å; Q281-L288 HydrophobicContact CG-CB 4.25Å; Q281-L288 HydrophobicContact CG-CD1 4.16Å; Q281-L288 HydrophobicContact CG-CG 4.17Å; Q281-L293 HydrophobicContact CG-CD2 3.75Å
282Y93.3Very high94.2Very high134 Ų13470.9 Ų70.953%0.52536%0.364SS..THydrogen-bonded Turntrans-58.7122.7-176.7-177.7-94.6000111.4F272 E278 N279F272-Y282 HydrophobicContact CD2-CD1 4.37Å; F272-Y282 HydrophobicContact CD2-CD2 4.03Å; F272-Y282 HydrophobicContact CD2-CE1 4.48Å; F272-Y282 HydrophobicContact CD2-CE2 4.14Å; F272-Y282 HydrophobicContact CD2-CG 4.14Å; F272-Y282 AromaticContact CE2-CD1 3.74Å; F272-Y282 HydrophobicContact CE2-CD1 3.74Å; F272-Y282 AromaticContact CE2-CD2 3.92Å; F272-Y282 HydrophobicContact CE2-CD2 3.92Å; F272-Y282 AromaticContact CE2-CE1 3.51Å; F272-Y282 HydrophobicContact CE2-CE1 3.51Å; F272-Y282 AromaticContact CE2-CE2 3.7Å; F272-Y282 HydrophobicContact CE2-CE2 3.7Å; F272-Y282 AromaticContact CE2-CG 3.93Å; F272-Y282 HydrophobicContact CE2-CG 3.93Å; F272-Y282 AromaticContact CE2-CZ 3.48Å; F272-Y282 VanDerWaalsContact CE2-CZ 3.48Å; F272-Y282 AromaticContact CZ-CE1 3.93Å; F272-Y282 HydrophobicContact CZ-CE1 3.93Å; F272-Y282 AromaticContact CZ-CE2 3.96Å; F272-Y282 HydrophobicContact CZ-CE2 3.96Å; F272-Y282 AromaticContact CZ-CZ 3.57Å; E278-Y282 PolarHBondContact O-N 3.32Å; E278-Y282 VanDerWaalsContact O-N 3.09Å; N279-Y282 WeakPolarHBondContact O-CB 3.25Å; N279-Y282 PolarHBondContact O-N 2.84Å
283G89.9Confident94.6Very high56 Ų5666.2 Ų66.258%0.57734%0.344SS*.THydrogen-bonded Turntrans80.511.9179.500000115.2Q281Q281-G283 PolarHBondContact O-N 3.18Å
284L91.6Very high95Very high45 Ų4564 Ų6424%0.23632%0.321CS..  trans-92.3140.1170.3-61.1179.5000111.2Q281 R286 L288 R340Q281-L284 WeakPolarHBondContact O-CB 3.35Å; Q281-L284 PolarHBondContact O-N 3.03Å; Q281-L284 VanDerWaalsContact O-N 3.08Å; L284-R286 PolarHBondContact O-N 3.19Å; L284-L288 HydrophobicContact CD1-CD1 3.5Å; L284-L288 HydrophobicContact CD1-CD2 4.2Å; L284-L288 HydrophobicContact CD1-CG 3.81Å; L284-R340 HydrophobicContact CD2-CB 4.2Å; L284-R340 HydrophobicContact CD2-CG 4.12Å
285D88.2Confident95.2Very high181 Ų18168.5 Ų68.597%0.96834%0.339SS*.SBendtrans-77.5-3.6177.3-60.5-41000113.7
286R92.4Very high95.2Very high143 Ų14368.4 Ų68.454%0.5434%0.339SS..SBendtrans-134.1147-17972.1-178.9-175.3107.1-3.7111.4L284 L288 E292L284-R286 PolarHBondContact O-N 3.19Å; R286-L288 HydrophobicContact CG-CD2 4.22Å; R286-E292 IonicContact CZ-OE1 2.76Å; R286-E292 VanDerWaalsContact CZ-OE1 3.23Å; R286-E292 IonicContact NH1-OE1 2.77Å; R286-E292 PolarHBondContact NH1-OE1 3.44Å; R286-E292 IonicContact NH1-OE2 3.47Å; R286-E292 PolarHBondContact NH1-OE2 3.48Å; R286-E292 IonicContact NH2-OE1 2.89Å; R286-E292 PolarHBondContact NH2-OE1 2.96Å
287T94.4Very high95.3Very high120 Ų12068.4 Ų68.474%0.73634%0.339SS*.PPolyproline II helixtrans-74.6126.1167.5-47.80000109.4
288L95.4Very high95.3Very high6 Ų669.9 Ų69.93%0.03135%0.348CS..PPolyproline II helixtrans-81.9144.9176.6-62-177.8000110.8Q281 L284 R286 E292 L293 L339Q281-L288 HydrophobicContact CG-CB 4.25Å; Q281-L288 HydrophobicContact CG-CD1 4.16Å; Q281-L288 HydrophobicContact CG-CG 4.17Å; L284-L288 HydrophobicContact CD1-CD1 3.5Å; L284-L288 HydrophobicContact CD1-CD2 4.2Å; L284-L288 HydrophobicContact CD1-CG 3.81Å; R286-L288 HydrophobicContact CG-CD2 4.22Å; L288-E292 HydrophobicContact CB-CB 4.22Å; L288-L293 HydrophobicContact CB-CD2 3.86Å; L288-L293 HydrophobicContact CB-CG 4.05Å; L288-L293 HydrophobicContact CD1-CD2 3.8Å; L288-L293 HydrophobicContact CG-CD2 4.43Å; L288-L339 HydrophobicContact CD1-CB 4.01Å; L288-L339 HydrophobicContact CD1-CD1 3.91Å; L288-L339 HydrophobicContact CD1-CD2 3.86Å; L288-L339 HydrophobicContact CD1-CG 4.14Å
289T97Very high95.3Very high78 Ų7866.1 Ų66.148%0.47933%0.331SS..PPolyproline II helixtrans-68.2155.1170.362.80000110.4K291 E292 L293T289-K291 PolarHBondContact O-N 3.44Å; T289-E292 WeakPolarHBondContact CB-OE2 3.3Å; T289-E292 PolarHBondContact N-OE2 2.89Å; T289-E292 PolarHBondContact O-N 3.09Å; T289-E292 VanDerWaalsContact OG1-CG 3.3Å; T289-E292 WeakPolarHBondContact OG1-CG 3.44Å; T289-E292 PolarHBondContact OG1-N 3.36Å; T289-E292 PolarHBondContact OG1-OE2 2.8Å; T289-L293 PolarHBondContact O-N 2.88Å
290E96.4Very high95.3Very high103 Ų10366 Ų6648%0.48133%0.331SS..Hα-helixtrans-57.1-35.8177.1-174.4171.1169.500112.3E292 L293 W294 L313E290-E292 PolarHBondContact O-N 3.41Å; E290-L293 PolarHBondContact O-N 3.24Å; E290-W294 PolarHBondContact O-N 2.89Å; E290-W294 PolarHBondContact OE1-NE1 3.03Å; E290-L313 HydrophobicContact CG-CD1 3.8Å
291K97.4Very high95.3Very high181 Ų18169.3 Ų69.379%0.78734%0.344SS*.Hα-helixtrans-62.1-42.5175.2-174.3-179.5177.4-176.20112.5T289 H295T289-K291 PolarHBondContact O-N 3.44Å; K291-H295 WeakPolarHBondContact O-CB 3.45Å; K291-H295 PolarHBondContact O-N 3.37Å
292E97.2Very high95.3Very high56 Ų5667.8 Ų67.826%0.26234%0.337SS..Hα-helixtrans-65.6-42.4176.9-72.6165.9121.100111.1R286 L288 T289 E290 H295 G296 L339R286-E292 IonicContact CZ-OE1 2.76Å; R286-E292 VanDerWaalsContact CZ-OE1 3.23Å; R286-E292 IonicContact NH1-OE1 2.77Å; R286-E292 PolarHBondContact NH1-OE1 3.44Å; R286-E292 IonicContact NH1-OE2 3.47Å; R286-E292 PolarHBondContact NH1-OE2 3.48Å; R286-E292 IonicContact NH2-OE1 2.89Å; R286-E292 PolarHBondContact NH2-OE1 2.96Å; L288-E292 HydrophobicContact CB-CB 4.22Å; T289-E292 WeakPolarHBondContact CB-OE2 3.3Å; T289-E292 PolarHBondContact N-OE2 2.89Å; T289-E292 PolarHBondContact O-N 3.09Å; T289-E292 VanDerWaalsContact OG1-CG 3.3Å; T289-E292 WeakPolarHBondContact OG1-CG 3.44Å; T289-E292 PolarHBondContact OG1-N 3.36Å; T289-E292 PolarHBondContact OG1-OE2 2.8Å; E290-E292 PolarHBondContact O-N 3.41Å; E292-H295 PolarHBondContact O-N 3.27Å; E292-G296 PolarHBondContact O-N 3.45Å; E292-L339 VanDerWaalsContact O-CD2 3.3Å; E292-L339 WeakPolarHBondContact O-CD2 3.29Å
293L97.9Very high95.5Very high0 Ų063.4 Ų63.40%032%0.323CS..Hα-helixtrans-60.2-48.7177.4-65.1175.4000111.9R277 L280 Q281 L288 T289 E290 H295 G296 L297 L313 L339R277-L293 HydrophobicContact CG-CD1 4Å; L280-L293 HydrophobicContact CB-CD2 3.92Å; L280-L293 HydrophobicContact CD1-CB 4.44Å; L280-L293 HydrophobicContact CD1-CD2 4.16Å; Q281-L293 HydrophobicContact CG-CD2 3.75Å; L288-L293 HydrophobicContact CB-CD2 3.86Å; L288-L293 HydrophobicContact CB-CG 4.05Å; L288-L293 HydrophobicContact CD1-CD2 3.8Å; L288-L293 HydrophobicContact CG-CD2 4.43Å; T289-L293 PolarHBondContact O-N 2.88Å; E290-L293 PolarHBondContact O-N 3.24Å; L293-H295 VanDerWaalsContact C-N 3.32Å; L293-H295 PolarHBondContact O-N 3.33Å; L293-G296 PolarHBondContact O-N 2.84Å; L293-L297 WeakPolarHBondContact O-CG 3.33Å; L293-L297 PolarHBondContact O-N 3.49Å; L293-L313 HydrophobicContact CB-CD1 4.26Å; L293-L313 HydrophobicContact CB-CD2 4.37Å; L293-L313 HydrophobicContact CD1-CD1 4.12Å; L293-L339 HydrophobicContact CD2-CD1 4Å
294W98.2Very high95.7Very high19 Ų1965.6 Ų65.67%0.07232%0.318CS..Hα-helixtrans-63.5-38.1176.1-76115.9000112.4E290 G296 L297 E298 D303 V306 R307 Q312 L313E290-W294 PolarHBondContact O-N 2.89Å; E290-W294 PolarHBondContact OE1-NE1 3.03Å; W294-G296 PolarHBondContact O-N 3.14Å; W294-L297 HydrophobicContact CD2-CD1 4.35Å; W294-L297 HydrophobicContact CE3-CB 4.49Å; W294-L297 HydrophobicContact CE3-CD1 3.72Å; W294-L297 HydrophobicContact CZ3-CD1 3.92Å; W294-L297 WeakPolarHBondContact O-CB 3.48Å; W294-L297 PolarHBondContact O-N 3.18Å; W294-E298 WeakPolarHBondContact O-CG 3.33Å; W294-E298 PolarHBondContact O-N 3.33Å; W294-D303 HydrophobicContact CE3-CB 4.29Å; W294-D303 HydrophobicContact CZ3-CB 4.42Å; W294-V306 HydrophobicContact CH2-CB 4.3Å; W294-V306 HydrophobicContact CH2-CG1 3.74Å; W294-V306 HydrophobicContact CZ3-CB 4.08Å; W294-V306 HydrophobicContact CZ3-CG1 3.9Å; W294-R307 HydrophobicContact CE3-CG 4.5Å; W294-R307 HydrophobicContact CH2-CB 4.47Å; W294-R307 HydrophobicContact CH2-CG 3.51Å; W294-R307 HydrophobicContact CZ2-CG 4.47Å; W294-R307 HydrophobicContact CZ3-CG 3.53Å; W294-Q312 HydrophobicContact CH2-CB 4.24Å; W294-Q312 HydrophobicContact CZ2-CB 4.13Å; W294-L313 HydrophobicContact CZ2-CD1 4.34Å; W294-L313 HydrophobicContact CZ2-CG 3.96Å
295H97.7Very high95.8Very high104 Ų10464 Ų6448%0.48131%0.309SS..Hα-helixtrans-62-44.1175.8-176.351.3000112.1K291 E292 L293 L297 E298 L299K291-H295 WeakPolarHBondContact O-CB 3.45Å; K291-H295 PolarHBondContact O-N 3.37Å; E292-H295 PolarHBondContact O-N 3.27Å; L293-H295 VanDerWaalsContact C-N 3.32Å; L293-H295 PolarHBondContact O-N 3.33Å; H295-L297 VanDerWaalsContact C-N 3.29Å; H295-L297 PolarHBondContact O-N 3.34Å; H295-E298 PolarHBondContact O-N 3.31Å; H295-L299 WeakPolarHBondContact O-CG 3.47Å; H295-L299 PolarHBondContact O-N 2.98Å
296G96.7Very high96.2Very high1 Ų155.3 Ų55.31%0.0126%0.262CS..Hα-helixtrans-62-36.6174.200000113E292 L293 W294 A300E292-G296 PolarHBondContact O-N 3.45Å; L293-G296 PolarHBondContact O-N 2.84Å; W294-G296 PolarHBondContact O-N 3.14Å; G296-A300 WeakPolarHBondContact O-CB 3.42Å; G296-A300 PolarHBondContact O-N 2.84Å
297L97.9Very high96.4Very high0 Ų054 Ų540%026%0.257CS..Hα-helixtrans-67.5-39.6174.1-71.9171000112.5L280 L293 W294 H295 A300 Y301 A302 D303 V306 L313 I332 A335L280-L297 HydrophobicContact CD1-CD1 4.06Å; L280-L297 HydrophobicContact CD1-CD2 3.97Å; L280-L297 HydrophobicContact CD1-CG 3.91Å; L280-L297 HydrophobicContact CD2-CD2 4.18Å; L293-L297 WeakPolarHBondContact O-CG 3.33Å; L293-L297 PolarHBondContact O-N 3.49Å; W294-L297 HydrophobicContact CD2-CD1 4.35Å; W294-L297 HydrophobicContact CE3-CB 4.49Å; W294-L297 HydrophobicContact CE3-CD1 3.72Å; W294-L297 HydrophobicContact CZ3-CD1 3.92Å; W294-L297 WeakPolarHBondContact O-CB 3.48Å; W294-L297 PolarHBondContact O-N 3.18Å; H295-L297 VanDerWaalsContact C-N 3.29Å; H295-L297 PolarHBondContact O-N 3.34Å; L297-A300 CarbonylContact O-C 3.28Å; L297-A300 PolarHBondContact O-N 3.32Å; L297-Y301 PolarHBondContact O-N 3.05Å; L297-Y301 VanDerWaalsContact O-N 3.15Å; L297-A302 HydrophobicContact CB-CB 4.28Å; L297-A302 HydrophobicContact CD2-CB 3.55Å; L297-A302 PolarHBondContact O-N 3.29Å; L297-D303 HydrophobicContact CB-CB 4.16Å; L297-D303 PolarHBondContact O-N 2.85Å; L297-V306 HydrophobicContact CD1-CB 4.23Å; L297-V306 HydrophobicContact CD1-CG1 3.98Å; L297-V306 HydrophobicContact CD1-CG2 4.22Å; L297-V306 HydrophobicContact CD2-CG2 4.01Å; L297-L313 HydrophobicContact CD1-CD2 3.61Å; L297-I332 HydrophobicContact CD2-CD1 3.75Å; L297-A335 HydrophobicContact CD2-CB 4.14Å
298E97.6Very high96.5Very high89 Ų8954.6 Ų54.642%0.41625%0.252SS..Hα-helixtrans-63.7-46.5176.9-74.9167.6-170.200111.3W294 H295 A300 Y301 D303 R307W294-E298 WeakPolarHBondContact O-CG 3.33Å; W294-E298 PolarHBondContact O-N 3.33Å; H295-E298 PolarHBondContact O-N 3.31Å; E298-A300 PolarHBondContact O-N 3.48Å; E298-Y301 PolarHBondContact O-N 3.23Å; E298-D303 HydrophobicContact CG-CB 3.79Å; E298-R307 IonicContact OE1-NH2 3.7Å
299L96.2Very high96.5Very high37 Ų3756.4 Ų56.419%0.19426%0.259CS..Hα-helixtrans-58.8-32.6175.5-66.9173.6000112.2H295 F338 Q368H295-L299 WeakPolarHBondContact O-CG 3.47Å; H295-L299 PolarHBondContact O-N 2.98Å; L299-F338 HydrophobicContact CB-CD1 4.16Å; L299-F338 HydrophobicContact CB-CD2 3.78Å; L299-F338 HydrophobicContact CB-CE1 4.15Å; L299-F338 HydrophobicContact CB-CE2 3.76Å; L299-F338 HydrophobicContact CB-CG 3.98Å; L299-F338 HydrophobicContact CB-CZ 3.95Å; L299-F338 HydrophobicContact CD1-CB 4.34Å; L299-F338 HydrophobicContact CD1-CD1 3.84Å; L299-F338 HydrophobicContact CD1-CE1 4.28Å; L299-F338 HydrophobicContact CD1-CG 4.08Å; L299-F338 WeakPolarHBondContact O-CE2 3.5Å; L299-Q368 VanDerWaalsContact CD2-NE2 3.25Å; L299-Q368 PolarHBondContact O-OE1 3.39Å
300A95Very high96.3Very high0 Ų058.3 Ų58.30%027%0.273CS..THydrogen-bonded Turntrans-90.35.3178.100000114.4G296 L297 E298 A302 R331 I334 A335 F338G296-A300 WeakPolarHBondContact O-CB 3.42Å; G296-A300 PolarHBondContact O-N 2.84Å; L297-A300 CarbonylContact O-C 3.28Å; L297-A300 PolarHBondContact O-N 3.32Å; E298-A300 PolarHBondContact O-N 3.48Å; A300-A302 HydrophobicContact CB-CB 4.34Å; A300-A302 PolarHBondContact O-N 3.44Å; A300-R331 VanDerWaalsContact CB-O 3.32Å; A300-R331 WeakPolarHBondContact CB-O 3.41Å; A300-R331 WeakPolarHBondContact O-CB 3.06Å; A300-R331 VanDerWaalsContact O-CD 3.25Å; A300-R331 WeakPolarHBondContact O-CD 3.46Å; A300-R331 WeakPolarHBondContact O-CG 3.15Å; A300-I334 HydrophobicContact CB-CB 4.26Å; A300-I334 HydrophobicContact CB-CG2 3.96Å; A300-A335 HydrophobicContact CB-CB 3.65Å; A300-F338 HydrophobicContact CB-CD2 4.29Å; A300-F338 HydrophobicContact CB-CE2 4.43Å
301Y95.2Very high96.3Very high71 Ų7158.5 Ų58.528%0.27828%0.278SS..THydrogen-bonded Turntrans52.533-172.6-60.3-95.5000113.3L297 E298 R331 R364 A365L297-Y301 PolarHBondContact O-N 3.05Å; L297-Y301 VanDerWaalsContact O-N 3.15Å; E298-Y301 PolarHBondContact O-N 3.23Å; Y301-R331 VanDerWaalsContact O-CD 3.31Å; Y301-R331 WeakPolarHBondContact O-CD 3.46Å; Y301-R331 PolarHBondContact O-NE 2.9Å; Y301-R364 HydrophobicContact CE2-CB 3.96Å; Y301-R364 PolarHBondContact OH-NE 2.96Å; Y301-R364 PolarHBondContact OH-NH2 3.47Å; Y301-A365 HydrophobicContact CD2-CB 4.02Å
302A95.4Very high96.2Very high0 Ų053.7 Ų53.70%026%0.258CS..  trans-101.6-19.8-179.200000113.5L297 A300 Q304 F305 V306 R331 I332L297-A302 HydrophobicContact CB-CB 4.28Å; L297-A302 HydrophobicContact CD2-CB 3.55Å; L297-A302 PolarHBondContact O-N 3.29Å; A300-A302 HydrophobicContact CB-CB 4.34Å; A300-A302 PolarHBondContact O-N 3.44Å; A302-Q304 VanDerWaalsContact C-N 3.31Å; A302-Q304 PolarHBondContact O-N 2.91Å; A302-F305 HydrophobicContact CB-CD1 4.37Å; A302-F305 HydrophobicContact CB-CE1 3.52Å; A302-F305 HydrophobicContact CB-CZ 3.91Å; A302-F305 VanDerWaalsContact O-CD1 3.23Å; A302-F305 WeakPolarHBondContact O-CD1 3.35Å; A302-F305 WeakPolarHBondContact O-CE1 3.38Å; A302-F305 PolarHBondContact O-N 3.21Å; A302-V306 VanDerWaalsContact O-CG2 3.28Å; A302-V306 WeakPolarHBondContact O-CG2 3.44Å; A302-V306 PolarHBondContact O-N 3.46Å; A302-R331 HydrophobicContact CB-CB 3.98Å; A302-I332 HydrophobicContact CB-CD1 4.39Å
303D96.7Very high96.2Very high42 Ų4251.3 Ų51.323%0.22525%0.247CC..Hα-helixtrans-53.9-44-176.869.7-51000112.9W294 L297 E298 F305 V306 R307W294-D303 HydrophobicContact CE3-CB 4.29Å; W294-D303 HydrophobicContact CZ3-CB 4.42Å; L297-D303 HydrophobicContact CB-CB 4.16Å; L297-D303 PolarHBondContact O-N 2.85Å; E298-D303 HydrophobicContact CG-CB 3.79Å; D303-F305 PolarHBondContact O-N 3.09Å; D303-V306 PolarHBondContact O-N 2.85Å; D303-R307 VanDerWaalsContact O-CG 3.28Å; D303-R307 WeakPolarHBondContact O-CG 3.49Å; D303-R307 PolarHBondContact O-N 2.92Å
304Q95Very high96.2Very high101 Ų10155.6 Ų55.647%0.47227%0.267SS..Hα-helixtrans-57.1-54.9-176.8-174.5-171.8-500112.1A302 V306 R307 E308A302-Q304 VanDerWaalsContact C-N 3.31Å; A302-Q304 PolarHBondContact O-N 2.91Å; Q304-V306 VanDerWaalsContact C-N 3.31Å; Q304-V306 PolarHBondContact O-N 2.75Å; Q304-R307 PolarHBondContact O-N 3.08Å; Q304-E308 PolarHBondContact NE2-OE1 3.45Å; Q304-E308 WeakPolarHBondContact O-CG 3.36Å; Q304-E308 PolarHBondContact O-N 3.02Å
305F94.2Very high96.1Very high11 Ų1155.3 Ų55.35%0.04827%0.267CS..Hα-helixtrans-73.2-27.8-176.377-101.3000111.9A302 D303 E308 F309 L324 Q328 R331 I332A302-F305 HydrophobicContact CB-CD1 4.37Å; A302-F305 HydrophobicContact CB-CE1 3.52Å; A302-F305 HydrophobicContact CB-CZ 3.91Å; A302-F305 VanDerWaalsContact O-CD1 3.23Å; A302-F305 WeakPolarHBondContact O-CD1 3.35Å; A302-F305 WeakPolarHBondContact O-CE1 3.38Å; A302-F305 PolarHBondContact O-N 3.21Å; D303-F305 PolarHBondContact O-N 3.09Å; F305-E308 PolarHBondContact O-N 2.84Å; F305-F309 HydrophobicContact CD2-CD2 4.46Å; F305-F309 AromaticContact CD2-CE2 3.61Å; F305-F309 HydrophobicContact CD2-CE2 3.61Å; F305-F309 AromaticContact CD2-CZ 3.93Å; F305-F309 HydrophobicContact CD2-CZ 3.93Å; F305-F309 AromaticContact CE2-CE2 3.89Å; F305-F309 HydrophobicContact CE2-CE2 3.89Å; F305-F309 HydrophobicContact CE2-CZ 4.41Å; F305-F309 PolarHBondContact O-N 3.1Å; F305-L324 HydrophobicContact CE2-CD2 4.32Å; F305-Q328 HydrophobicContact CD1-CG 3.9Å; F305-Q328 HydrophobicContact CD2-CB 4.37Å; F305-Q328 HydrophobicContact CD2-CG 3.79Å; F305-Q328 HydrophobicContact CE1-CB 4.15Å; F305-Q328 HydrophobicContact CE1-CG 3.88Å; F305-Q328 HydrophobicContact CE2-CB 3.9Å; F305-Q328 HydrophobicContact CE2-CG 3.83Å; F305-Q328 HydrophobicContact CG-CG 3.84Å; F305-Q328 HydrophobicContact CZ-CB 3.78Å; F305-Q328 HydrophobicContact CZ-CG 3.88Å; F305-R331 HydrophobicContact CE1-CB 4.29Å; F305-I332 HydrophobicContact CE2-CD1 4.27Å; F305-I332 HydrophobicContact CE2-CG1 4.48Å; F305-I332 HydrophobicContact CZ-CD1 3.81Å; F305-I332 HydrophobicContact CZ-CG1 3.98Å
306V96.6Very high96Very high0 Ų055 Ų550%027%0.266CS..Hα-helixtrans-68.3-37.8174177.50000110.4I276 W294 L297 A302 D303 Q304 E308 F309 Q312 L313 I332I276-V306 HydrophobicContact CD1-CG1 4.01Å; I276-V306 HydrophobicContact CD1-CG2 3.96Å; I276-V306 HydrophobicContact CG2-CG1 4.48Å; W294-V306 HydrophobicContact CH2-CB 4.3Å; W294-V306 HydrophobicContact CH2-CG1 3.74Å; W294-V306 HydrophobicContact CZ3-CB 4.08Å; W294-V306 HydrophobicContact CZ3-CG1 3.9Å; L297-V306 HydrophobicContact CD1-CB 4.23Å; L297-V306 HydrophobicContact CD1-CG1 3.98Å; L297-V306 HydrophobicContact CD1-CG2 4.22Å; L297-V306 HydrophobicContact CD2-CG2 4.01Å; A302-V306 VanDerWaalsContact O-CG2 3.28Å; A302-V306 WeakPolarHBondContact O-CG2 3.44Å; A302-V306 PolarHBondContact O-N 3.46Å; D303-V306 PolarHBondContact O-N 2.85Å; Q304-V306 VanDerWaalsContact C-N 3.31Å; Q304-V306 PolarHBondContact O-N 2.75Å; V306-E308 VanDerWaalsContact C-N 3.28Å; V306-E308 PolarHBondContact O-N 3.24Å; V306-F309 PolarHBondContact O-N 3.36Å; V306-Q312 WeakPolarHBondContact O-CA 3.32Å; V306-L313 HydrophobicContact CG1-CD2 4.34Å; V306-I332 HydrophobicContact CG2-CD1 4.15Å
307R97Very high95.7Very high115 Ų11555 Ų5543%0.43427%0.266SS..Hα-helixtrans-66.2-28.4173.6-71.5177.3-170.1-67.30113.4W294 E298 D303 Q304 F309W294-R307 HydrophobicContact CE3-CG 4.5Å; W294-R307 HydrophobicContact CH2-CB 4.47Å; W294-R307 HydrophobicContact CH2-CG 3.51Å; W294-R307 HydrophobicContact CZ2-CG 4.47Å; W294-R307 HydrophobicContact CZ3-CG 3.53Å; E298-R307 IonicContact OE1-NH2 3.7Å; D303-R307 VanDerWaalsContact O-CG 3.28Å; D303-R307 WeakPolarHBondContact O-CG 3.49Å; D303-R307 PolarHBondContact O-N 2.92Å; Q304-R307 PolarHBondContact O-N 3.08Å; R307-F309 VanDerWaalsContact C-N 3.3Å
308E95.6Very high95.3Very high132 Ų13256 Ų5662%0.61728%0.276SS*.Hα-helixtrans-73.9-20.4177.4-71.9168.3-170.100112.7Q304 F305 V306Q304-E308 PolarHBondContact NE2-OE1 3.45Å; Q304-E308 WeakPolarHBondContact O-CG 3.36Å; Q304-E308 PolarHBondContact O-N 3.02Å; F305-E308 PolarHBondContact O-N 2.84Å; V306-E308 VanDerWaalsContact C-N 3.28Å; V306-E308 PolarHBondContact O-N 3.24Å
309F95.5Very high94.7Very high44 Ų4459.1 Ų59.119%0.19329%0.291CS..SBendtrans-73.4138.8174.2-64.3-43.4000111.7I276 F305 V306 R307 D311 Q312 T315 L324I276-F309 HydrophobicContact CD1-CD2 3.85Å; I276-F309 HydrophobicContact CD1-CE2 4Å; F305-F309 HydrophobicContact CD2-CD2 4.46Å; F305-F309 AromaticContact CD2-CE2 3.61Å; F305-F309 HydrophobicContact CD2-CE2 3.61Å; F305-F309 AromaticContact CD2-CZ 3.93Å; F305-F309 HydrophobicContact CD2-CZ 3.93Å; F305-F309 AromaticContact CE2-CE2 3.89Å; F305-F309 HydrophobicContact CE2-CE2 3.89Å; F305-F309 HydrophobicContact CE2-CZ 4.41Å; F305-F309 PolarHBondContact O-N 3.1Å; V306-F309 PolarHBondContact O-N 3.36Å; R307-F309 VanDerWaalsContact C-N 3.3Å; F309-D311 VanDerWaalsContact C-N 3.25Å; F309-D311 PolarHBondContact O-N 3.3Å; F309-Q312 PolarHBondContact O-N 2.97Å; F309-Q312 VanDerWaalsContact O-N 3.09Å; F309-T315 HydrophobicContact CB-CG2 4.1Å; F309-T315 WeakPolarHBondContact CB-OG1 3.5Å; F309-T315 HydrophobicContact CD1-CG2 4.5Å; F309-T315 HydrophobicContact CD2-CG2 3.92Å; F309-T315 HydrophobicContact CE2-CG2 4.47Å; F309-T315 HydrophobicContact CG-CG2 3.95Å; F309-L324 HydrophobicContact CE2-CD2 3.77Å; F309-L324 HydrophobicContact CZ-CD2 3.58Å
310P92.7Very high94Very high119 Ų11966.7 Ų66.777%0.77332%0.317SS*.THydrogen-bonded Turntrans-53.9-40.2-179.3-27.434.5000114
311D96Very high93.4Very high107 Ų10766.7 Ų66.757%0.57232%0.317SS*.THydrogen-bonded Turntrans-98.42.4-176.2-57.2-45.8000112.8F309 L313 E314F309-D311 VanDerWaalsContact C-N 3.25Å; F309-D311 PolarHBondContact O-N 3.3Å; D311-L313 PolarHBondContact O-N 3.27Å; D311-L313 VanDerWaalsContact O-N 3.16Å; D311-E314 HydrophobicContact CB-CB 4.27Å; D311-E314 WeakPolarHBondContact O-CA 3.4Å; D311-E314 WeakPolarHBondContact O-CB 3.26Å; D311-E314 PolarHBondContact O-N 3.46Å
312Q96.6Very high92.8Very high80 Ų8068.6 Ų68.637%0.37434%0.336SS..G310 helixtrans47.4-117.7179.2-56.1178.520.700112.6W294 V306 F309 E314 T315W294-Q312 HydrophobicContact CH2-CB 4.24Å; W294-Q312 HydrophobicContact CZ2-CB 4.13Å; V306-Q312 WeakPolarHBondContact O-CA 3.32Å; F309-Q312 PolarHBondContact O-N 2.97Å; F309-Q312 VanDerWaalsContact O-N 3.09Å; Q312-E314 PolarHBondContact O-N 3.5Å; Q312-T315 PolarHBondContact N-OG1 3.34Å; Q312-T315 VanDerWaalsContact O-CB 3.26Å; Q312-T315 WeakPolarHBondContact O-CB 3.39Å; Q312-T315 PolarHBondContact O-N 3.19Å; Q312-T315 VanDerWaalsContact O-N 3.1Å; Q312-T315 PolarHBondContact O-OG1 2.94Å
313L96.8Very high92.3Very high5 Ų575 Ų753%0.02636%0.363CS..G310 helixtrans-62.3-24.4178.2-69.2175.3000113.7I276 R277 L280 E290 L293 W294 L297 V306 D311 T315I276-L313 WeakPolarHBondContact CB-O 2.96Å; I276-L313 HydrophobicContact CG2-CD2 4.24Å; I276-L313 PolarHBondContact N-O 3.09Å; R277-L313 HydrophobicContact CB-CB 4.34Å; R277-L313 WeakPolarHBondContact CB-O 3.36Å; R277-L313 PolarHBondContact N-O 3.43Å; L280-L313 HydrophobicContact CD1-CD2 4.21Å; E290-L313 HydrophobicContact CG-CD1 3.8Å; L293-L313 HydrophobicContact CB-CD1 4.26Å; L293-L313 HydrophobicContact CB-CD2 4.37Å; L293-L313 HydrophobicContact CD1-CD1 4.12Å; W294-L313 HydrophobicContact CZ2-CD1 4.34Å; W294-L313 HydrophobicContact CZ2-CG 3.96Å; L297-L313 HydrophobicContact CD1-CD2 3.61Å; V306-L313 HydrophobicContact CG1-CD2 4.34Å; D311-L313 PolarHBondContact O-N 3.27Å; D311-L313 VanDerWaalsContact O-N 3.16Å; L313-T315 VanDerWaalsContact C-N 3.27Å; L313-T315 PolarHBondContact O-N 2.86Å
314E97.1Very high91.9Very high91 Ų9173.5 Ų73.543%0.42536%0.355SS..G310 helixtrans-88.15.8178.5-51.3-49136.800112.6R277 D311 Q312 E316R277-E314 IonicContact CZ-OE1 3.33Å; R277-E314 IonicContact NE-OE1 2.67Å; R277-E314 PolarHBondContact NE-OE1 2.91Å; R277-E314 IonicContact NH2-OE1 3.1Å; R277-E314 PolarHBondContact NH2-OE1 3.36Å; R277-E314 VanDerWaalsContact NH2-OE1 3.1Å; D311-E314 HydrophobicContact CB-CB 4.27Å; D311-E314 WeakPolarHBondContact O-CA 3.4Å; D311-E314 WeakPolarHBondContact O-CB 3.26Å; D311-E314 PolarHBondContact O-N 3.46Å; Q312-E314 PolarHBondContact O-N 3.5Å; E314-E316 PolarHBondContact O-N 3.14Å; E314-E316 VanDerWaalsContact O-N 3.12Å
315T96Very high91.7Very high12 Ų1271.2 Ų71.27%0.07435%0.35CS..  trans-63.2116.9178.7-56.90000111S275 I276 F309 Q312 L313 L317S275-T315 WeakPolarHBondContact CA-O 3.27Å; I276-T315 PolarHBondContact N-O 2.99Å; F309-T315 HydrophobicContact CB-CG2 4.1Å; F309-T315 WeakPolarHBondContact CB-OG1 3.5Å; F309-T315 HydrophobicContact CD1-CG2 4.5Å; F309-T315 HydrophobicContact CD2-CG2 3.92Å; F309-T315 HydrophobicContact CE2-CG2 4.47Å; F309-T315 HydrophobicContact CG-CG2 3.95Å; Q312-T315 PolarHBondContact N-OG1 3.34Å; Q312-T315 VanDerWaalsContact O-CB 3.26Å; Q312-T315 WeakPolarHBondContact O-CB 3.39Å; Q312-T315 PolarHBondContact O-N 3.19Å; Q312-T315 VanDerWaalsContact O-N 3.1Å; Q312-T315 PolarHBondContact O-OG1 2.94Å; L313-T315 VanDerWaalsContact C-N 3.27Å; L313-T315 PolarHBondContact O-N 2.86Å; T315-L317 PolarHBondContact O-N 3.29Å
316E95.5Very high91.4Very high99 Ų9972.9 Ų72.946%0.46337%0.371SS..BIsolated β-bridgetrans-69.2117.7175.7-74.8-66165.400111.9G274 E314 K323G274-E316 VanDerWaalsContact CA-OE2 3.25Å; G274-E316 WeakPolarHBondContact CA-OE2 3.43Å; E314-E316 PolarHBondContact O-N 3.14Å; E314-E316 VanDerWaalsContact O-N 3.12Å; E316-K323 VanDerWaalsContact O-CD 3.25Å; E316-K323 WeakPolarHBondContact O-CD 3.31Å; E316-K323 VanDerWaalsContact O-CE 3.27Å; E316-K323 WeakPolarHBondContact O-CE 3.3Å; E316-K323 PolarHBondContact O-NZ 3.29Å
317L91.3Very high91.1Very high0 Ų072.9 Ų72.90%037%0.371CS..  trans-82.2-21-173.5-60.4-176.5000113.7V271 G274 I276 N279 T315 G321 V322 K323 L324V271-L317 HydrophobicContact CG1-CB 4.15Å; V271-L317 HydrophobicContact CG1-CD1 3.35Å; V271-L317 HydrophobicContact CG1-CG 4.38Å; G274-L317 PolarHBondContact O-N 3.39Å; I276-L317 HydrophobicContact CD1-CD2 4.06Å; I276-L317 HydrophobicContact CG1-CD1 3.96Å; I276-L317 HydrophobicContact CG1-CD2 3.56Å; I276-L317 HydrophobicContact CG1-CG 3.93Å; N279-L317 HydrophobicContact CB-CD1 4.42Å; T315-L317 PolarHBondContact O-N 3.29Å; L317-G321 CarbonylContact O-C 3.53Å; L317-G321 VanDerWaalsContact O-C 3.28Å; L317-G321 VanDerWaalsContact O-CA 3.29Å; L317-G321 WeakPolarHBondContact O-CA 3.49Å; L317-V322 PolarHBondContact O-N 2.8Å; L317-K323 PolarHBondContact O-N 3.28Å; L317-L324 HydrophobicContact CD1-CD1 4.03Å; L317-L324 HydrophobicContact CD2-CD1 3.7Å; L317-L324 HydrophobicContact CD2-CD2 3.87Å; L317-L324 HydrophobicContact CD2-CG 3.79Å; L317-L324 HydrophobicContact CG-CD1 4.41Å
318G88.8Confident90.8Very high21 Ų2169 Ų6922%0.21636%0.358CS..  trans72.1178.3-174.700000113.5A273 R320 G321A273-G318 WeakPolarHBondContact CA-O 3.43Å; G318-R320 PolarHBondContact O-N 3.17Å; G318-G321 PolarHBondContact O-N 2.85Å
319E86.1Confident90.7Very high154 Ų15464.8 Ų64.872%0.7234%0.338SS*.G310 helixtrans-57127.7-179-167.9-179172.700111.2G321 V322E319-G321 PolarHBondContact O-N 3.46Å; E319-V322 PolarHBondContact O-N 3.33Å
320R80.7Confident90.5Very high196 Ų19662.9 Ų62.974%0.7433%0.329SS*.G310 helixtrans52.224.9-175.3-63.7178.6174.9172.9-2.3114.1V271 G318 V322 K329V271-R320 WeakPolarHBondContact O-CA 3.36Å; G318-R320 PolarHBondContact O-N 3.17Å; R320-V322 PolarHBondContact O-N 3.31Å; R320-K329 WeakPolarHBondContact O-CE 3.48Å; R320-K329 PolarHBondContact O-NZ 2.95Å
321G82.5Confident90.6Very high0 Ų057.9 Ų57.90%030%0.295CS..G310 helixtrans64.233.4-17900000114.4L317 G318 E319 K323 L324 K329L317-G321 CarbonylContact O-C 3.53Å; L317-G321 VanDerWaalsContact O-C 3.28Å; L317-G321 VanDerWaalsContact O-CA 3.29Å; L317-G321 WeakPolarHBondContact O-CA 3.49Å; G318-G321 PolarHBondContact O-N 2.85Å; E319-G321 PolarHBondContact O-N 3.46Å; G321-K323 PolarHBondContact O-N 3.01Å; G321-L324 PolarHBondContact O-N 3.24Å; G321-K329 WeakPolarHBondContact O-CE 3.42Å; G321-K329 PolarHBondContact O-NZ 3.24Å
322V83.7Confident90.5Very high112 Ų11252.8 Ų52.868%0.67927%0.268SS*.THydrogen-bonded Turntrans-48.8-24.2-175.669.10000115L317 E319 R320 L324L317-V322 PolarHBondContact O-N 2.8Å; E319-V322 PolarHBondContact O-N 3.33Å; R320-V322 PolarHBondContact O-N 3.31Å; V322-L324 VanDerWaalsContact C-N 3.32Å
323K84.4Confident90.4Very high133 Ų13349 Ų4958%0.57825%0.25SS*.THydrogen-bonded Turntrans-78.3-10.6177.6-60-169.4-165.9163.10114.8E316 L317 G321E316-K323 VanDerWaalsContact O-CD 3.25Å; E316-K323 WeakPolarHBondContact O-CD 3.31Å; E316-K323 VanDerWaalsContact O-CE 3.27Å; E316-K323 WeakPolarHBondContact O-CE 3.3Å; E316-K323 PolarHBondContact O-NZ 3.29Å; L317-K323 PolarHBondContact O-N 3.28Å; G321-K323 PolarHBondContact O-N 3.01Å
324L88.7Confident90.3Very high11 Ų1148.8 Ų48.86%0.05825%0.249CC..SBendtrans-101.6141.6-178.6-60.7-177.7000111.2F305 F309 L317 G321 V322 Q328 K329 I332F305-L324 HydrophobicContact CE2-CD2 4.32Å; F309-L324 HydrophobicContact CE2-CD2 3.77Å; F309-L324 HydrophobicContact CZ-CD2 3.58Å; L317-L324 HydrophobicContact CD1-CD1 4.03Å; L317-L324 HydrophobicContact CD2-CD1 3.7Å; L317-L324 HydrophobicContact CD2-CD2 3.87Å; L317-L324 HydrophobicContact CD2-CG 3.79Å; L317-L324 HydrophobicContact CG-CD1 4.41Å; G321-L324 PolarHBondContact O-N 3.24Å; V322-L324 VanDerWaalsContact C-N 3.32Å; L324-Q328 HydrophobicContact CB-CB 4.02Å; L324-Q328 HydrophobicContact CD2-CB 4.21Å; L324-K329 HydrophobicContact CB-CG 3.59Å; L324-K329 HydrophobicContact CD1-CG 4.08Å; L324-K329 HydrophobicContact CG-CG 4.47Å; L324-K329 VanDerWaalsContact O-CE 3.31Å; L324-K329 WeakPolarHBondContact O-CE 3.4Å; L324-I332 HydrophobicContact CD1-CG1 4.2Å
325S89.3Confident90.2Very high53 Ų5344.5 Ų44.537%0.37123%0.229SC..  trans-63.7158.9162.762.20000111.1G327 Q328 K329S325-G327 VanDerWaalsContact C-N 3.31Å; S325-G327 PolarHBondContact O-N 3.44Å; S325-Q328 WeakPolarHBondContact O-CB 3.17Å; S325-Q328 PolarHBondContact O-N 3.09Å; S325-Q328 VanDerWaalsContact O-N 3.08Å; S325-Q328 WeakPolarHBondContact OG-CB 3.23Å; S325-Q328 WeakPolarHBondContact OG-CG 3.44Å; S325-Q328 PolarHBondContact OG-N 3.08Å; S325-Q328 PolarHBondContact OG-OE1 3.12Å; S325-K329 WeakPolarHBondContact O-CG 3.28Å; S325-K329 PolarHBondContact O-N 3.44Å
326G88.4Confident90.2Very high46 Ų4645.7 Ų45.747%0.47423%0.232SC..Hα-helixtrans-53.2-46.5177.900000112.8Q328 K329 Q330G326-Q328 VanDerWaalsContact C-N 3.34Å; G326-Q328 PolarHBondContact O-N 3.4Å; G326-K329 PolarHBondContact O-N 2.95Å; G326-Q330 PolarHBondContact O-N 3.47Å
327G89.8Confident90.1Very high1 Ų141.2 Ų41.21%0.0121%0.212CC..Hα-helixtrans-64.2-34.5177.600000114S325 R331 L354S325-G327 VanDerWaalsContact C-N 3.31Å; S325-G327 PolarHBondContact O-N 3.44Å; G327-R331 WeakPolarHBondContact O-CG 3.4Å; G327-R331 PolarHBondContact O-N 3.18Å; G327-R331 VanDerWaalsContact O-N 3.1Å; G327-R331 PolarHBondContact O-NH1 3.3Å; G327-L354 VanDerWaalsContact CA-CD2 3.5Å; G327-L354 VanDerWaalsContact N-CD2 3.34Å
328Q92.4Very high90.3Very high34 Ų3442.2 Ų42.216%0.15922%0.216CC..Hα-helixtrans-68-43.5173.8-74.6166.2-34.900111.5F305 L324 S325 G326 Q330 R331 I332F305-Q328 HydrophobicContact CD1-CG 3.9Å; F305-Q328 HydrophobicContact CD2-CB 4.37Å; F305-Q328 HydrophobicContact CD2-CG 3.79Å; F305-Q328 HydrophobicContact CE1-CB 4.15Å; F305-Q328 HydrophobicContact CE1-CG 3.88Å; F305-Q328 HydrophobicContact CE2-CB 3.9Å; F305-Q328 HydrophobicContact CE2-CG 3.83Å; F305-Q328 HydrophobicContact CG-CG 3.84Å; F305-Q328 HydrophobicContact CZ-CB 3.78Å; F305-Q328 HydrophobicContact CZ-CG 3.88Å; L324-Q328 HydrophobicContact CB-CB 4.02Å; L324-Q328 HydrophobicContact CD2-CB 4.21Å; S325-Q328 WeakPolarHBondContact O-CB 3.17Å; S325-Q328 PolarHBondContact O-N 3.09Å; S325-Q328 VanDerWaalsContact O-N 3.08Å; S325-Q328 WeakPolarHBondContact OG-CB 3.23Å; S325-Q328 WeakPolarHBondContact OG-CG 3.44Å; S325-Q328 PolarHBondContact OG-N 3.08Å; S325-Q328 PolarHBondContact OG-OE1 3.12Å; G326-Q328 VanDerWaalsContact C-N 3.34Å; G326-Q328 PolarHBondContact O-N 3.4Å; Q328-Q330 VanDerWaalsContact C-N 3.29Å; Q328-Q330 PolarHBondContact O-N 3.01Å; Q328-R331 PolarHBondContact O-N 3.41Å; Q328-I332 WeakPolarHBondContact O-CG1 3.4Å; Q328-I332 PolarHBondContact O-N 3.46Å
329K92.5Very high90.7Very high43 Ų4342.5 Ų42.519%0.18721%0.213CC..Hα-helixtrans-58.7-43.3176-63.5-178-173.6-172.10111.4V271 R320 G321 L324 S325 G326 I332 A333V271-K329 HydrophobicContact CG2-CB 4.29Å; V271-K329 HydrophobicContact CG2-CG 4.45Å; R320-K329 WeakPolarHBondContact O-CE 3.48Å; R320-K329 PolarHBondContact O-NZ 2.95Å; G321-K329 WeakPolarHBondContact O-CE 3.42Å; G321-K329 PolarHBondContact O-NZ 3.24Å; L324-K329 HydrophobicContact CB-CG 3.59Å; L324-K329 HydrophobicContact CD1-CG 4.08Å; L324-K329 HydrophobicContact CG-CG 4.47Å; L324-K329 VanDerWaalsContact O-CE 3.31Å; L324-K329 WeakPolarHBondContact O-CE 3.4Å; S325-K329 WeakPolarHBondContact O-CG 3.28Å; S325-K329 PolarHBondContact O-N 3.44Å; G326-K329 PolarHBondContact O-N 2.95Å; K329-I332 PolarHBondContact O-N 3.01Å; K329-A333 PolarHBondContact O-N 3.06Å
330Q91.8Very high91Very high4 Ų438.9 Ų38.92%0.01919%0.192CC..Hα-helixtrans-61.9-45.8178.3-160.775.948.500111.7S266 S269 G326 Q328 I332 A333 I334 A350 V362S266-Q330 PolarHBondContact O-NE2 2.6Å; S269-Q330 WeakPolarHBondContact OG-CA 3.31Å; S269-Q330 WeakPolarHBondContact OG-CB 3.45Å; S269-Q330 PolarHBondContact OG-N 2.94Å; S269-Q330 PolarHBondContact OG-NE2 2.98Å; S269-Q330 PolarHBondContact OG-OE1 3.3Å; G326-Q330 PolarHBondContact O-N 3.47Å; Q328-Q330 VanDerWaalsContact C-N 3.29Å; Q328-Q330 PolarHBondContact O-N 3.01Å; Q330-I332 VanDerWaalsContact C-N 3.33Å; Q330-I332 PolarHBondContact O-N 3.36Å; Q330-A333 WeakPolarHBondContact O-CB 3.27Å; Q330-A333 PolarHBondContact O-N 3.29Å; Q330-A333 VanDerWaalsContact O-N 3.13Å; Q330-I334 HydrophobicContact CG-CD1 4.15Å; Q330-I334 VanDerWaalsContact O-CG1 3.3Å; Q330-I334 WeakPolarHBondContact O-CG1 3.26Å; Q330-I334 PolarHBondContact O-N 3.41Å; Q330-A350 VanDerWaalsContact CG-O 3.27Å; Q330-A350 WeakPolarHBondContact CG-O 3.38Å; Q330-A350 PolarHBondContact NE2-O 3.43Å; Q330-A350 PolarHBondContact OE1-O 3.27Å; Q330-V362 HydrophobicContact CB-CG2 4.04Å; Q330-V362 HydrophobicContact CG-CG1 3.74Å; Q330-V362 HydrophobicContact CG-CG2 4.07Å
331R93.8Very high91.6Very high14 Ų1433.3 Ų33.35%0.05318%0.178CC..Hα-helixtrans-65.8-32.5177.5-67.7-170.2-59.2-88.9-2.2112.8A300 Y301 A302 F305 G327 Q328 I334 A335 V362A300-R331 VanDerWaalsContact CB-O 3.32Å; A300-R331 WeakPolarHBondContact CB-O 3.41Å; A300-R331 WeakPolarHBondContact O-CB 3.06Å; A300-R331 VanDerWaalsContact O-CD 3.25Å; A300-R331 WeakPolarHBondContact O-CD 3.46Å; A300-R331 WeakPolarHBondContact O-CG 3.15Å; Y301-R331 VanDerWaalsContact O-CD 3.31Å; Y301-R331 WeakPolarHBondContact O-CD 3.46Å; Y301-R331 PolarHBondContact O-NE 2.9Å; A302-R331 HydrophobicContact CB-CB 3.98Å; F305-R331 HydrophobicContact CE1-CB 4.29Å; G327-R331 WeakPolarHBondContact O-CG 3.4Å; G327-R331 PolarHBondContact O-N 3.18Å; G327-R331 VanDerWaalsContact O-N 3.1Å; G327-R331 PolarHBondContact O-NH1 3.3Å; Q328-R331 PolarHBondContact O-N 3.41Å; R331-I334 PolarHBondContact O-N 3.15Å; R331-A335 WeakPolarHBondContact O-CB 3.25Å; R331-A335 PolarHBondContact O-N 3.28Å; R331-V362 HydrophobicContact CG-CG2 3.76Å
332I95Very high92.2Very high0 Ų033.3 Ų33.30%018%0.178CC..Hα-helixtrans-66-42.2169.8-64.2-56.9000111.6I276 L280 L297 A302 F305 V306 L324 Q328 K329 Q330 I334 A335 R336I276-I332 HydrophobicContact CG2-CD1 4.15Å; L280-I332 HydrophobicContact CD2-CG2 4.34Å; L297-I332 HydrophobicContact CD2-CD1 3.75Å; A302-I332 HydrophobicContact CB-CD1 4.39Å; F305-I332 HydrophobicContact CE2-CD1 4.27Å; F305-I332 HydrophobicContact CE2-CG1 4.48Å; F305-I332 HydrophobicContact CZ-CD1 3.81Å; F305-I332 HydrophobicContact CZ-CG1 3.98Å; V306-I332 HydrophobicContact CG2-CD1 4.15Å; L324-I332 HydrophobicContact CD1-CG1 4.2Å; Q328-I332 WeakPolarHBondContact O-CG1 3.4Å; Q328-I332 PolarHBondContact O-N 3.46Å; K329-I332 PolarHBondContact O-N 3.01Å; Q330-I332 VanDerWaalsContact C-N 3.33Å; Q330-I332 PolarHBondContact O-N 3.36Å; I332-I334 VanDerWaalsContact C-N 3.33Å; I332-I334 PolarHBondContact O-N 3.45Å; I332-A335 PolarHBondContact O-N 2.94Å; I332-R336 PolarHBondContact O-N 2.81Å
333A93.8Very high92.8Very high1 Ų131.8 Ų31.81%0.00816%0.162CC..Hα-helixtrans-63.2-39.5176.600000112.2K329 Q330 R336 A337K329-A333 PolarHBondContact O-N 3.06Å; Q330-A333 WeakPolarHBondContact O-CB 3.27Å; Q330-A333 PolarHBondContact O-N 3.29Å; Q330-A333 VanDerWaalsContact O-N 3.13Å; A333-R336 WeakPolarHBondContact O-CB 3.34Å; A333-R336 PolarHBondContact O-N 3.19Å; A333-A337 PolarHBondContact O-N 3.38Å; A333-A337 VanDerWaalsContact O-N 3.07Å
334I94.7Very high93.4Very high0 Ų025.7 Ų25.70%014%0.135CC..Hα-helixtrans-66.7-43.8174.6-67165.8000110.9V265 A300 Q330 R331 I332 R336 A337 F338 V362 A365 L366 L369V265-I334 HydrophobicContact CG1-CG1 4.1Å; A300-I334 HydrophobicContact CB-CB 4.26Å; A300-I334 HydrophobicContact CB-CG2 3.96Å; Q330-I334 HydrophobicContact CG-CD1 4.15Å; Q330-I334 VanDerWaalsContact O-CG1 3.3Å; Q330-I334 WeakPolarHBondContact O-CG1 3.26Å; Q330-I334 PolarHBondContact O-N 3.41Å; R331-I334 PolarHBondContact O-N 3.15Å; I332-I334 VanDerWaalsContact C-N 3.33Å; I332-I334 PolarHBondContact O-N 3.45Å; I334-R336 VanDerWaalsContact C-N 3.3Å; I334-R336 PolarHBondContact O-N 3.39Å; I334-A337 WeakPolarHBondContact O-CA 3.16Å; I334-A337 WeakPolarHBondContact O-CB 3.4Å; I334-A337 PolarHBondContact O-N 3.08Å; I334-F338 HydrophobicContact CG2-CD2 3.81Å; I334-F338 HydrophobicContact CG2-CE2 3.56Å; I334-F338 WeakPolarHBondContact O-CD2 3.4Å; I334-F338 PolarHBondContact O-N 3.3Å; I334-V362 HydrophobicContact CD1-CG1 3.92Å; I334-A365 HydrophobicContact CD1-CB 4.16Å; I334-A365 HydrophobicContact CG2-CB 3.9Å; I334-L366 HydrophobicContact CD1-CD2 3.68Å; I334-L366 HydrophobicContact CD1-CG 3.82Å; I334-L366 HydrophobicContact CG1-CD2 3.82Å; I334-L366 HydrophobicContact CG1-CG 4.49Å; I334-L369 HydrophobicContact CG2-CD2 4.23Å
335A96.1Very high93.8Very high0 Ų025.1 Ų25.10%013%0.133CC..Hα-helixtrans-57.6-43.8174.300000111.5L280 L297 A300 R331 I332 A337 F338 L339L280-A335 HydrophobicContact CD2-CB 3.56Å; L297-A335 HydrophobicContact CD2-CB 4.14Å; A300-A335 HydrophobicContact CB-CB 3.65Å; R331-A335 WeakPolarHBondContact O-CB 3.25Å; R331-A335 PolarHBondContact O-N 3.28Å; I332-A335 PolarHBondContact O-N 2.94Å; A335-A337 VanDerWaalsContact C-N 3.28Å; A335-A337 PolarHBondContact O-N 3.43Å; A335-F338 PolarHBondContact O-N 3.08Å; A335-L339 VanDerWaalsContact O-CG 3.28Å; A335-L339 WeakPolarHBondContact O-CG 3.43Å; A335-L339 PolarHBondContact O-N 3.1Å
336R94.6Very high94.1Very high38 Ų3822.7 Ų22.714%0.14312%0.115CC..Hα-helixtrans-59-39.4173.9-179.2175.661.4-155.6-3111.9A270 N279 I332 A333 I334 R340A270-R336 PolarHBondContact O-NH1 3.38Å; A270-R336 VanDerWaalsContact O-NH1 3.12Å; A270-R336 PolarHBondContact O-NH2 3.28Å; N279-R336 WeakPolarHBondContact O-CD 3.43Å; I332-R336 PolarHBondContact O-N 2.81Å; A333-R336 WeakPolarHBondContact O-CB 3.34Å; A333-R336 PolarHBondContact O-N 3.19Å; I334-R336 VanDerWaalsContact C-N 3.3Å; I334-R336 PolarHBondContact O-N 3.39Å; R336-R340 WeakPolarHBondContact O-CB 3.27Å; R336-R340 PolarHBondContact O-N 2.83Å
337A94.4Very high94.3Very high4 Ų420.6 Ų20.63%0.0339%0.093CC..Hα-helixtrans-66.9-42.2175.700000112.4V265 A333 I334 A335 L339 R340 D341 P342 L369V265-A337 HydrophobicContact CG2-CB 3.96Å; A333-A337 PolarHBondContact O-N 3.38Å; A333-A337 VanDerWaalsContact O-N 3.07Å; I334-A337 WeakPolarHBondContact O-CA 3.16Å; I334-A337 WeakPolarHBondContact O-CB 3.4Å; I334-A337 PolarHBondContact O-N 3.08Å; A335-A337 VanDerWaalsContact C-N 3.28Å; A335-A337 PolarHBondContact O-N 3.43Å; A337-L339 PolarHBondContact O-N 3.48Å; A337-R340 PolarHBondContact O-N 3.3Å; A337-D341 PolarHBondContact O-N 2.86Å; A337-P342 WeakPolarHBondContact O-CD 3.49Å; A337-L369 HydrophobicContact CB-CD1 4.27Å; A337-L369 HydrophobicContact CB-CD2 3.69Å
338F95.6Very high94.4Very high21 Ų2121.2 Ų21.29%0.09210%0.096CC..Hα-helixtrans-58.1-47.8173.3-83.3-65.8000112.1L299 A300 I334 A335 R340 D341 A365 Q368 L369L299-F338 HydrophobicContact CB-CD1 4.16Å; L299-F338 HydrophobicContact CB-CD2 3.78Å; L299-F338 HydrophobicContact CB-CE1 4.15Å; L299-F338 HydrophobicContact CB-CE2 3.76Å; L299-F338 HydrophobicContact CB-CG 3.98Å; L299-F338 HydrophobicContact CB-CZ 3.95Å; L299-F338 HydrophobicContact CD1-CB 4.34Å; L299-F338 HydrophobicContact CD1-CD1 3.84Å; L299-F338 HydrophobicContact CD1-CE1 4.28Å; L299-F338 HydrophobicContact CD1-CG 4.08Å; L299-F338 WeakPolarHBondContact O-CE2 3.5Å; A300-F338 HydrophobicContact CB-CD2 4.29Å; A300-F338 HydrophobicContact CB-CE2 4.43Å; I334-F338 HydrophobicContact CG2-CD2 3.81Å; I334-F338 HydrophobicContact CG2-CE2 3.56Å; I334-F338 WeakPolarHBondContact O-CD2 3.4Å; I334-F338 PolarHBondContact O-N 3.3Å; A335-F338 PolarHBondContact O-N 3.08Å; F338-R340 PolarHBondContact O-N 3.04Å; F338-D341 PolarHBondContact O-N 3.5Å; F338-D341 VanDerWaalsContact O-N 3.14Å; F338-A365 WeakPolarHBondContact CZ-O 3.31Å; F338-Q368 HydrophobicContact CE1-CG 4.27Å; F338-Q368 HydrophobicContact CZ-CB 4.11Å; F338-Q368 HydrophobicContact CZ-CG 4.04Å; F338-L369 HydrophobicContact CB-CD1 4.43Å; F338-L369 HydrophobicContact CD1-CD1 3.48Å; F338-L369 VanDerWaalsContact CD1-CD1 3.48Å; F338-L369 HydrophobicContact CD2-CD1 4.14Å; F338-L369 VanDerWaalsContact CE1-CA 3.48Å; F338-L369 HydrophobicContact CE1-CB 3.84Å; F338-L369 HydrophobicContact CE1-CD1 3.64Å; F338-L369 HydrophobicContact CE1-CG 4.35Å; F338-L369 HydrophobicContact CE2-CB 4.03Å; F338-L369 HydrophobicContact CE2-CD1 4.28Å; F338-L369 HydrophobicContact CG-CD1 3.74Å; F338-L369 HydrophobicContact CZ-CB 3.55Å; F338-L369 HydrophobicContact CZ-CD1 4.05Å; F338-L369 HydrophobicContact CZ-CG 4.37Å
339L95.6Very high94Very high28 Ų2821 Ų2115%0.14710%0.095CC..Hα-helixtrans-65.3-26.6-177.6-68.7175.4000113.4L280 L288 E292 L293 A335 A337L280-L339 HydrophobicContact CB-CD1 3.78Å; L280-L339 HydrophobicContact CD1-CD1 4.47Å; L280-L339 HydrophobicContact CD2-CD1 4.07Å; L280-L339 HydrophobicContact CG-CD1 4.32Å; L288-L339 HydrophobicContact CD1-CB 4.01Å; L288-L339 HydrophobicContact CD1-CD1 3.91Å; L288-L339 HydrophobicContact CD1-CD2 3.86Å; L288-L339 HydrophobicContact CD1-CG 4.14Å; E292-L339 VanDerWaalsContact O-CD2 3.3Å; E292-L339 WeakPolarHBondContact O-CD2 3.29Å; L293-L339 HydrophobicContact CD2-CD1 4Å; A335-L339 VanDerWaalsContact O-CG 3.28Å; A335-L339 WeakPolarHBondContact O-CG 3.43Å; A335-L339 PolarHBondContact O-N 3.1Å; A337-L339 PolarHBondContact O-N 3.48Å
340R93.7Very high93Very high77 Ų7719.3 Ų19.329%0.2919%0.089SC..Hα-helixtrans-81.6-16.4177.1-166.8163.2-176.8-95.519.7113.9R259 S260 I262 L284 R336 A337 F338R259-R340 PolarHBondContact O-NH1 2.67Å; R259-R340 PolarHBondContact O-NH2 3.33Å; S260-R340 PolarHBondContact O-NH1 2.87Å; I262-R340 PolarHBondContact O-NH1 3.46Å; L284-R340 HydrophobicContact CD2-CB 4.2Å; L284-R340 HydrophobicContact CD2-CG 4.12Å; R336-R340 WeakPolarHBondContact O-CB 3.27Å; R336-R340 PolarHBondContact O-N 2.83Å; A337-R340 PolarHBondContact O-N 3.3Å; F338-R340 PolarHBondContact O-N 3.04Å
341D93.3Very high92.1Very high80 Ų8019.6 Ų19.643%0.4289%0.091SC..  trans44.259.2-177.2-171.943.2000114.8A337 F338 K343 R373A337-D341 PolarHBondContact O-N 2.86Å; F338-D341 PolarHBondContact O-N 3.5Å; F338-D341 VanDerWaalsContact O-N 3.14Å; D341-K343 IonicContact OD2-NZ 3.55Å; D341-K343 PolarHBondContact OD2-NZ 2.91Å; D341-R373 IonicContact OD1-CZ 2.72Å; D341-R373 IonicContact OD1-NE 2.68Å; D341-R373 IonicContact OD1-NH2 2.78Å; D341-R373 PolarHBondContact OD1-NH2 3.05Å
342P95Very high90.9Very high0 Ų020.1 Ų20.10%010%0.098CC..  trans-68155.6-179.933-39.2000112A337 L345 R373A337-P342 WeakPolarHBondContact O-CD 3.49Å; P342-L345 HydrophobicContact CG-CD1 4.47Å; P342-R373 WeakPolarHBondContact O-CD 3.44Å; P342-R373 PolarHBondContact O-NE 3.43Å
343K95.7Very high89.8Confident79 Ų7926 Ų2634%0.34314%0.14SC..SBendtrans-93.6-28.9172.9-55.7-50175.9-152.20112.3V181 A182 Q261 D341 T374V181-K343 HydrophobicContact CG2-CB 3.75Å; V181-K343 HydrophobicContact CG2-CG 4.38Å; A182-K343 HydrophobicContact CB-CG 4.42Å; Q261-K343 PolarHBondContact O-N 2.89Å; D341-K343 IonicContact OD2-NZ 3.55Å; D341-K343 PolarHBondContact OD2-NZ 2.91Å; K343-T374 PolarHBondContact O-N 3.14Å
344I97.2Very high88.8Confident5 Ų527 Ų273%0.02615%0.145CC..EExtended strand (participates in β ladder)trans-113.9124.9173.7-59.2166000107.2V181 I186 I245 W258 Q261 I262 G263 M346 T374 L376V181-I344 HydrophobicContact CB-CD1 4.25Å; V181-I344 HydrophobicContact CG2-CD1 3.78Å; V181-I344 HydrophobicContact CG2-CG1 4.02Å; I186-I344 HydrophobicContact CD1-CD1 3.8Å; I186-I344 HydrophobicContact CD1-CG1 3.99Å; I186-I344 HydrophobicContact CD1-CG2 3.79Å; I186-I344 HydrophobicContact CG1-CD1 4.26Å; I245-I344 HydrophobicContact CD1-CD1 4.49Å; W258-I344 HydrophobicContact CH2-CD1 3.5Å; W258-I344 HydrophobicContact CZ3-CD1 3.6Å; Q261-I344 PolarHBondContact O-N 3.47Å; I262-I344 CarbonylContact C-O 3.58Å; I262-I344 VanDerWaalsContact CA-O 3.3Å; I262-I344 WeakPolarHBondContact CA-O 3.25Å; I262-I344 HydrophobicContact CG1-CB 4.26Å; I262-I344 HydrophobicContact CG1-CD1 4.41Å; G263-I344 PolarHBondContact N-O 3.44Å; I344-M346 HydrophobicContact CG2-CG 4.42Å; I344-T374 CarbonylContact C-O 3.58Å; I344-T374 WeakPolarHBondContact CA-O 3.34Å; I344-L376 HydrophobicContact CG2-CD1 3.7Å
345L96.4Very high88Confident0 Ų031 Ų310%017%0.166CC..EExtended strand (participates in β ladder)trans-109.4130.3177.3-176.866.6000109.5G263 P342 L347 L369 M370 T374 T375 L376G263-L345 CarbonylContact O-C 3.42Å; P342-L345 HydrophobicContact CG-CD1 4.47Å; L345-L347 HydrophobicContact CD1-CD2 3.9Å; L345-L347 HydrophobicContact CD2-CD1 4.22Å; L345-L347 HydrophobicContact CD2-CD2 3.94Å; L345-L347 HydrophobicContact CD2-CG 4.17Å; L345-L347 HydrophobicContact CG-CD2 3.75Å; L345-L347 HydrophobicContact CG-CG 4.05Å; L345-L369 HydrophobicContact CD1-CD2 3.64Å; L345-L369 HydrophobicContact CD1-CG 4.05Å; L345-L369 HydrophobicContact CD2-CB 4.33Å; L345-L369 HydrophobicContact CD2-CD2 3.9Å; L345-L369 HydrophobicContact CD2-CG 3.68Å; L345-L369 HydrophobicContact CG-CD2 4.42Å; L345-M370 HydrophobicContact CD2-CG 3.75Å; L345-T374 PolarHBondContact N-O 2.98Å; L345-T375 HydrophobicContact CB-CG2 4.17Å; L345-T375 HydrophobicContact CD2-CG2 4Å; L345-T375 HydrophobicContact CG-CG2 4.19Å; L345-T375 CarbonylContact O-C 3.6Å; L345-T375 VanDerWaalsContact O-CA 3.31Å; L345-T375 WeakPolarHBondContact O-CA 3.36Å; L345-L376 PolarHBondContact O-N 2.85Å
346M95.9Very high87.1Confident1 Ų135.5 Ų35.51%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-120.6117.6177.7-70.2175.76200108.8F229 L232 E233 I262 G263 Y264 V265 I344 L376F229-M346 VanDerWaalsContact CA-CE 3.45Å; F229-M346 HydrophobicContact CB-CE 3.4Å; F229-M346 VanDerWaalsContact CB-CE 3.4Å; F229-M346 HydrophobicContact CD1-CE 3.65Å; F229-M346 HydrophobicContact CD2-CB 4.2Å; F229-M346 HydrophobicContact CD2-CE 3.46Å; F229-M346 VanDerWaalsContact CD2-CE 3.46Å; F229-M346 HydrophobicContact CE1-CE 4.21Å; F229-M346 HydrophobicContact CE2-CB 3.8Å; F229-M346 HydrophobicContact CE2-CE 4.06Å; F229-M346 HydrophobicContact CG-CE 3.21Å; F229-M346 HydrophobicContact CZ-CB 4.18Å; F229-M346 HydrophobicContact CZ-CE 4.39Å; L232-M346 HydrophobicContact CB-CE 4.01Å; L232-M346 HydrophobicContact CB-SD 4.19Å; L232-M346 HydrophobicContact CD1-CE 4.18Å; E233-M346 HydrophobicContact CG-CE 4.01Å; E233-M346 HydrophobicContact CG-SD 4.3Å; I262-M346 HydrophobicContact CG2-CG 4.15Å; I262-M346 HydrophobicContact CG2-SD 3.6Å; G263-M346 PolarHBondContact O-N 3.21Å; Y264-M346 WeakPolarHBondContact CA-O 3.33Å; Y264-M346 HydrophobicContact CD2-CB 3.81Å; Y264-M346 WeakPolarHBondContact CD2-O 3.3Å; V265-M346 PolarHBondContact N-O 2.85Å; I344-M346 HydrophobicContact CG2-CG 4.42Å; M346-L376 WeakPolarHBondContact CA-O 3.06Å; M346-L376 HydrophobicContact CG-CB 4.46Å; M346-L376 HydrophobicContact CG-CD1 4.43Å
347L93.9Very high86.4Confident3 Ų341 Ų412%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-115114.7-177.8-54.6-178.3000109F229 V265 L345 L366 M370 T375 L376 V377 I378F229-L347 WeakPolarHBondContact CE2-O 3.48Å; V265-L347 HydrophobicContact CB-CD2 3.65Å; V265-L347 HydrophobicContact CG1-CD2 4.46Å; V265-L347 HydrophobicContact CG2-CD2 3.77Å; L345-L347 HydrophobicContact CD1-CD2 3.9Å; L345-L347 HydrophobicContact CD2-CD1 4.22Å; L345-L347 HydrophobicContact CD2-CD2 3.94Å; L345-L347 HydrophobicContact CD2-CG 4.17Å; L345-L347 HydrophobicContact CG-CD2 3.75Å; L345-L347 HydrophobicContact CG-CG 4.05Å; L347-L366 HydrophobicContact CD1-CD2 4.06Å; L347-L366 HydrophobicContact CD2-CD2 3.81Å; L347-M370 HydrophobicContact CD1-CG 4.04Å; L347-M370 HydrophobicContact CD1-SD 3.73Å; L347-T375 HydrophobicContact CD1-CG2 4.03Å; L347-T375 HydrophobicContact CG-CG2 4.2Å; L347-L376 PolarHBondContact N-O 3.4Å; L347-V377 HydrophobicContact CB-CG1 4.19Å; L347-V377 HydrophobicContact CB-CG2 4.27Å; L347-V377 HydrophobicContact CD1-CG2 4.02Å; L347-V377 HydrophobicContact CG-CG2 4.41Å; L347-V377 CarbonylContact O-C 3.49Å; L347-V377 WeakPolarHBondContact O-CA 3.25Å; L347-I378 PolarHBondContact O-N 3.36Å
348D92.2Very high85.8Confident13 Ų1341.5 Ų41.57%0.0723%0.228CC..EExtended strand (participates in β ladder)trans-108102.5178.6-169.713.6000110.3F229 Y264 V265 S266 Q267 A350 I378F229-D348 HydrophobicContact CD2-CB 4.15Å; F229-D348 HydrophobicContact CE2-CB 4.05Å; Y264-D348 HydrophobicContact CE2-CB 3.8Å; Y264-D348 WeakPolarHBondContact OH-CB 3.46Å; Y264-D348 PolarHBondContact OH-OD2 3.14Å; V265-D348 PolarHBondContact O-N 3.16Å; S266-D348 CarbonylContact C-O 3.6Å; Q267-D348 VanDerWaalsContact CA-O 3.28Å; Q267-D348 WeakPolarHBondContact CA-O 3.37Å; Q267-D348 WeakPolarHBondContact CB-O 3.23Å; Q267-D348 PolarHBondContact N-O 2.96Å; D348-A350 PolarHBondContact O-N 3.48Å; D348-I378 HydrophobicContact CB-CD1 4.42Å; D348-I378 WeakPolarHBondContact OD1-CD1 3.43Å
349E83.1Confident85.2Confident31 Ų3142.4 Ų42.415%0.14523%0.233CC..SBendtrans47.737.1176-61-172.5-172.300114.3Q267 T351 A352 I378 H380Q267-E349 HydrophobicContact CB-CB 4.13Å; Q267-E349 HydrophobicContact CG-CB 3.99Å; Q267-E349 PolarHBondContact NE2-OE2 3.21Å; Q267-E349 PolarHBondContact OE1-OE2 2.89Å; E349-T351 PolarHBondContact O-N 3.36Å; E349-A352 HydrophobicContact CB-CB 4.3Å; E349-A352 WeakPolarHBondContact O-CB 3.19Å; E349-A352 PolarHBondContact O-N 3.41Å; E349-I378 HydrophobicContact CG-CG2 4.05Å; E349-I378 PolarHBondContact N-O 3.01Å; E349-H380 HydrophobicContact CG-CB 4.46Å
350A71.8Confident84.8Confident7 Ų746.9 Ų46.96%0.05825%0.253CS..THydrogen-bonded Turntrans-63.7-5.2-167.800000116.2V265 Q330 D348 L366V265-A350 HydrophobicContact CG1-CB 3.97Å; Q330-A350 VanDerWaalsContact CG-O 3.27Å; Q330-A350 WeakPolarHBondContact CG-O 3.38Å; Q330-A350 PolarHBondContact NE2-O 3.43Å; Q330-A350 PolarHBondContact OE1-O 3.27Å; D348-A350 PolarHBondContact O-N 3.48Å; A350-L366 HydrophobicContact CB-CD1 3.81Å; A350-L366 HydrophobicContact CB-CD2 4.37Å
351T73.6Confident84.6Confident9 Ų947 Ų476%0.05526%0.255CS..THydrogen-bonded Turntrans-114.1-1177.554.20000113.4E349 V362 L366E349-T351 PolarHBondContact O-N 3.36Å; T351-V362 HydrophobicContact CG2-CG1 3.99Å; T351-L366 HydrophobicContact CG2-CD1 4.01Å
352A68.3Low84.4Confident25 Ų2543.1 Ų43.121%0.20724%0.235CC..THydrogen-bonded Turntrans-64.8138.9-177.700000111.5Q267 E349 L354Q267-A352 HydrophobicContact CG-CB 4.34Å; E349-A352 HydrophobicContact CB-CB 4.3Å; E349-A352 WeakPolarHBondContact O-CB 3.19Å; E349-A352 PolarHBondContact O-N 3.41Å; A352-L354 VanDerWaalsContact C-N 3.32Å; A352-L354 PolarHBondContact O-N 3.03Å
353S70.5Confident84.1Confident125 Ų12544.5 Ų44.587%0.87424%0.241SC*.THydrogen-bonded Turntrans6916.3175.3-43.70000116.7
354L74.1Confident83.9Confident21 Ų2146.5 Ų46.511%0.1125%0.246CC..  trans-88.3147.8175-60.4-177.6000112.1G327 A352 E359 V362G327-L354 VanDerWaalsContact CA-CD2 3.5Å; G327-L354 VanDerWaalsContact N-CD2 3.34Å; A352-L354 VanDerWaalsContact C-N 3.32Å; A352-L354 PolarHBondContact O-N 3.03Å; L354-E359 HydrophobicContact CB-CB 4.2Å; L354-V362 HydrophobicContact CD1-CB 3.86Å; L354-V362 HydrophobicContact CD1-CG1 3.93Å; L354-V362 HydrophobicContact CD1-CG2 3.67Å
355D77.3Confident83.6Confident84 Ų8446.2 Ų46.245%0.44925%0.245SC..  trans-69.3152.8166.169.289.4000110.5Q357 S358 E359D355-Q357 VanDerWaalsContact C-N 3.25Å; D355-Q357 PolarHBondContact O-N 3.2Å; D355-Q357 VanDerWaalsContact O-N 3.1Å; D355-Q357 WeakPolarHBondContact OD1-CB 3.5Å; D355-Q357 PolarHBondContact OD1-N 3.47Å; D355-Q357 VanDerWaalsContact OD1-N 3.15Å; D355-S358 PolarHBondContact O-N 2.83Å; D355-S358 PolarHBondContact OD1-N 2.9Å; D355-S358 PolarHBondContact OD1-OG 2.89Å; D355-S358 WeakPolarHBondContact OD2-CB 3.23Å; D355-S358 PolarHBondContact OD2-OG 3.36Å; D355-E359 WeakPolarHBondContact O-CB 3.24Å; D355-E359 PolarHBondContact O-N 3.27Å
356S77.3Confident83.4Confident95 Ų9546.3 Ų46.366%0.66425%0.246SC*.Hα-helixtrans-52.9-34.4-175.157.70000115.3E360S356-E360 PolarHBondContact O-N 3.49Å
357Q79Confident83.2Confident154 Ų15449.6 Ų49.672%0.7226%0.263SS*.Hα-helixtrans-76.1-39.6178.8-67.3-173.1-6.700111.7D355 E359D355-Q357 VanDerWaalsContact C-N 3.25Å; D355-Q357 PolarHBondContact O-N 3.2Å; D355-Q357 VanDerWaalsContact O-N 3.1Å; D355-Q357 WeakPolarHBondContact OD1-CB 3.5Å; D355-Q357 PolarHBondContact OD1-N 3.47Å; D355-Q357 VanDerWaalsContact OD1-N 3.15Å; Q357-E359 VanDerWaalsContact C-N 3.34Å
358S82Confident83.1Confident13 Ų1352.6 Ų52.69%0.09128%0.277CS..Hα-helixtrans-67-37.4173-69.40000112D355 K361 V362D355-S358 PolarHBondContact O-N 2.83Å; D355-S358 PolarHBondContact OD1-N 2.9Å; D355-S358 PolarHBondContact OD1-OG 2.89Å; D355-S358 WeakPolarHBondContact OD2-CB 3.23Å; D355-S358 PolarHBondContact OD2-OG 3.36Å; S358-K361 PolarHBondContact O-N 3.42Å; S358-V362 WeakPolarHBondContact O-CB 3.31Å; S358-V362 VanDerWaalsContact O-CG2 3.31Å; S358-V362 WeakPolarHBondContact O-CG2 3.46Å; S358-V362 PolarHBondContact O-N 2.86Å
359E83.8Confident83.1Confident40 Ų4052 Ų5219%0.18727%0.274CS..Hα-helixtrans-60.5-47.7-179.8-173.5172.4-162.300111.4L354 D355 Q357 K361 V362 Q363 R381L354-E359 HydrophobicContact CB-CB 4.2Å; D355-E359 WeakPolarHBondContact O-CB 3.24Å; D355-E359 PolarHBondContact O-N 3.27Å; Q357-E359 VanDerWaalsContact C-N 3.34Å; E359-K361 PolarHBondContact O-N 2.85Å; E359-V362 PolarHBondContact O-N 3.49Å; E359-Q363 WeakPolarHBondContact O-CB 3.42Å; E359-Q363 PolarHBondContact O-N 3.37Å; E359-R381 IonicContact OE1-CZ 2.79Å; E359-R381 IonicContact OE1-NE 3.05Å; E359-R381 PolarHBondContact OE1-NE 3.14Å; E359-R381 IonicContact OE1-NH2 3.18Å
360E87Confident83.6Confident122 Ų12251.8 Ų51.857%0.5727%0.273SS*.Hα-helixtrans-58.7-46.3178.3-169.8-166.2154.500112S356 V362 Q363 R364S356-E360 PolarHBondContact O-N 3.49Å; E360-V362 PolarHBondContact O-N 3.5Å; E360-Q363 PolarHBondContact O-N 3.23Å; E360-R364 WeakPolarHBondContact O-CB 3.46Å; E360-R364 VanDerWaalsContact O-CG 3.31Å; E360-R364 WeakPolarHBondContact O-CG 3.36Å; E360-R364 PolarHBondContact O-N 3.42Å
361K89.5Confident84.6Confident79 Ų7958.1 Ų58.134%0.34330%0.302SS..Hα-helixtrans-64.7-40.5178.8-68.9-176.2178.4-174.50112S358 E359 A365S358-K361 PolarHBondContact O-N 3.42Å; E359-K361 PolarHBondContact O-N 2.85Å; K361-A365 WeakPolarHBondContact O-CB 3.29Å; K361-A365 PolarHBondContact O-N 2.95Å; K361-A365 VanDerWaalsContact O-N 3.11Å
362V89.5Confident85.4Confident0 Ų060.7 Ų60.70%033%0.33CS..Hα-helixtrans-66.8-46.1177.7166.60000110.7Q330 R331 I334 T351 L354 S358 E359 E360 R364 A365 L366Q330-V362 HydrophobicContact CB-CG2 4.04Å; Q330-V362 HydrophobicContact CG-CG1 3.74Å; Q330-V362 HydrophobicContact CG-CG2 4.07Å; R331-V362 HydrophobicContact CG-CG2 3.76Å; I334-V362 HydrophobicContact CD1-CG1 3.92Å; T351-V362 HydrophobicContact CG2-CG1 3.99Å; L354-V362 HydrophobicContact CD1-CB 3.86Å; L354-V362 HydrophobicContact CD1-CG1 3.93Å; L354-V362 HydrophobicContact CD1-CG2 3.67Å; S358-V362 WeakPolarHBondContact O-CB 3.31Å; S358-V362 VanDerWaalsContact O-CG2 3.31Å; S358-V362 WeakPolarHBondContact O-CG2 3.46Å; S358-V362 PolarHBondContact O-N 2.86Å; E359-V362 PolarHBondContact O-N 3.49Å; E360-V362 PolarHBondContact O-N 3.5Å; V362-R364 PolarHBondContact O-N 3.5Å; V362-A365 WeakPolarHBondContact O-CB 3.19Å; V362-A365 PolarHBondContact O-N 3.41Å; V362-L366 HydrophobicContact CG1-CD1 3.95Å; V362-L366 HydrophobicContact CG1-CG 4.35Å; V362-L366 WeakPolarHBondContact O-CG 3.45Å; V362-L366 PolarHBondContact O-N 3.44Å
363Q88.3Confident86.7Confident28 Ų2861.3 Ų61.313%0.13133%0.327CS..Hα-helixtrans-59.6-48179-173.261.85400110.8E359 E360 A365 L366 D367 T384E359-Q363 WeakPolarHBondContact O-CB 3.42Å; E359-Q363 PolarHBondContact O-N 3.37Å; E360-Q363 PolarHBondContact O-N 3.23Å; Q363-A365 VanDerWaalsContact C-N 3.28Å; Q363-A365 PolarHBondContact O-N 2.9Å; Q363-L366 WeakPolarHBondContact O-CB 3.23Å; Q363-L366 PolarHBondContact O-N 3.37Å; Q363-D367 PolarHBondContact NE2-OD1 3.2Å; Q363-D367 PolarHBondContact O-N 3.08Å; Q363-T384 PolarHBondContact OE1-OG1 3.45Å
364R90.5Very high88Confident121 Ų12155.7 Ų55.746%0.45729%0.288SS..Hα-helixtrans-59.4-37.9176.5-72.1176.561.6165.20113.3Y301 E360 V362 Q368Y301-R364 HydrophobicContact CE2-CB 3.96Å; Y301-R364 PolarHBondContact OH-NE 2.96Å; Y301-R364 PolarHBondContact OH-NH2 3.47Å; E360-R364 WeakPolarHBondContact O-CB 3.46Å; E360-R364 VanDerWaalsContact O-CG 3.31Å; E360-R364 WeakPolarHBondContact O-CG 3.36Å; E360-R364 PolarHBondContact O-N 3.42Å; V362-R364 PolarHBondContact O-N 3.5Å; R364-Q368 PolarHBondContact O-N 3.37Å
365A92.4Very high89Confident0 Ų054.7 Ų54.70%028%0.283CS..Hα-helixtrans-67.4-39.1175.800000112Y301 I334 F338 K361 V362 Q363 L369Y301-A365 HydrophobicContact CD2-CB 4.02Å; I334-A365 HydrophobicContact CD1-CB 4.16Å; I334-A365 HydrophobicContact CG2-CB 3.9Å; F338-A365 WeakPolarHBondContact CZ-O 3.31Å; K361-A365 WeakPolarHBondContact O-CB 3.29Å; K361-A365 PolarHBondContact O-N 2.95Å; K361-A365 VanDerWaalsContact O-N 3.11Å; V362-A365 WeakPolarHBondContact O-CB 3.19Å; V362-A365 PolarHBondContact O-N 3.41Å; Q363-A365 VanDerWaalsContact C-N 3.28Å; Q363-A365 PolarHBondContact O-N 2.9Å; A365-L369 WeakPolarHBondContact O-CB 3.13Å; A365-L369 PolarHBondContact O-N 3.25Å
366L91.5Very high89.9Confident2 Ų250.7 Ų50.71%0.0126%0.261CS..Hα-helixtrans-67-46.3175.8-69.6172.9000111.4V265 I334 L347 A350 T351 V362 Q363 Q368 L369 M370V265-L366 HydrophobicContact CG1-CD2 4.48Å; I334-L366 HydrophobicContact CD1-CD2 3.68Å; I334-L366 HydrophobicContact CD1-CG 3.82Å; I334-L366 HydrophobicContact CG1-CD2 3.82Å; I334-L366 HydrophobicContact CG1-CG 4.49Å; L347-L366 HydrophobicContact CD1-CD2 4.06Å; L347-L366 HydrophobicContact CD2-CD2 3.81Å; A350-L366 HydrophobicContact CB-CD1 3.81Å; A350-L366 HydrophobicContact CB-CD2 4.37Å; T351-L366 HydrophobicContact CG2-CD1 4.01Å; V362-L366 HydrophobicContact CG1-CD1 3.95Å; V362-L366 HydrophobicContact CG1-CG 4.35Å; V362-L366 WeakPolarHBondContact O-CG 3.45Å; V362-L366 PolarHBondContact O-N 3.44Å; Q363-L366 WeakPolarHBondContact O-CB 3.23Å; Q363-L366 PolarHBondContact O-N 3.37Å; L366-Q368 VanDerWaalsContact C-N 3.26Å; L366-Q368 PolarHBondContact O-N 2.86Å; L366-L369 WeakPolarHBondContact O-CA 3.38Å; L366-L369 WeakPolarHBondContact O-CB 3.33Å; L366-L369 PolarHBondContact O-N 3.15Å; L366-M370 WeakPolarHBondContact O-CG 3.41Å; L366-M370 PolarHBondContact O-N 3.34Å
367D90.7Very high90.7Very high70 Ų7046.3 Ų46.337%0.37423%0.231SC..Hα-helixtrans-55.1-45.8177.9-60.5-23.4000110.4Q363 L369 M370 E371Q363-D367 PolarHBondContact NE2-OD1 3.2Å; Q363-D367 PolarHBondContact O-N 3.08Å; D367-L369 PolarHBondContact O-N 3.49Å; D367-M370 PolarHBondContact O-N 3.01Å; D367-E371 PolarHBondContact O-N 3.24Å
368Q92.4Very high91.4Very high66 Ų6639 Ų3931%0.30820%0.196SC..Hα-helixtrans-67.2-35.2176.3-174.4170.416.900113L299 F338 R364 L366 M370L299-Q368 VanDerWaalsContact CD2-NE2 3.25Å; L299-Q368 PolarHBondContact O-OE1 3.39Å; F338-Q368 HydrophobicContact CE1-CG 4.27Å; F338-Q368 HydrophobicContact CZ-CB 4.11Å; F338-Q368 HydrophobicContact CZ-CG 4.04Å; R364-Q368 PolarHBondContact O-N 3.37Å; L366-Q368 VanDerWaalsContact C-N 3.26Å; L366-Q368 PolarHBondContact O-N 2.86Å; Q368-M370 VanDerWaalsContact C-N 3.3Å
369L93.2Very high91.2Very high0 Ų038.6 Ų38.60%019%0.193CC..Hα-helixtrans-68.1-32.8176.8-176.763.2000111.6V265 I334 A337 F338 L345 A365 L366 D367 E371 R373V265-L369 HydrophobicContact CG2-CD2 4.28Å; I334-L369 HydrophobicContact CG2-CD2 4.23Å; A337-L369 HydrophobicContact CB-CD1 4.27Å; A337-L369 HydrophobicContact CB-CD2 3.69Å; F338-L369 HydrophobicContact CB-CD1 4.43Å; F338-L369 HydrophobicContact CD1-CD1 3.48Å; F338-L369 VanDerWaalsContact CD1-CD1 3.48Å; F338-L369 HydrophobicContact CD2-CD1 4.14Å; F338-L369 VanDerWaalsContact CE1-CA 3.48Å; F338-L369 HydrophobicContact CE1-CB 3.84Å; F338-L369 HydrophobicContact CE1-CD1 3.64Å; F338-L369 HydrophobicContact CE1-CG 4.35Å; F338-L369 HydrophobicContact CE2-CB 4.03Å; F338-L369 HydrophobicContact CE2-CD1 4.28Å; F338-L369 HydrophobicContact CG-CD1 3.74Å; F338-L369 HydrophobicContact CZ-CB 3.55Å; F338-L369 HydrophobicContact CZ-CD1 4.05Å; F338-L369 HydrophobicContact CZ-CG 4.37Å; L345-L369 HydrophobicContact CD1-CD2 3.64Å; L345-L369 HydrophobicContact CD1-CG 4.05Å; L345-L369 HydrophobicContact CD2-CB 4.33Å; L345-L369 HydrophobicContact CD2-CD2 3.9Å; L345-L369 HydrophobicContact CD2-CG 3.68Å; L345-L369 HydrophobicContact CG-CD2 4.42Å; A365-L369 WeakPolarHBondContact O-CB 3.13Å; A365-L369 PolarHBondContact O-N 3.25Å; L366-L369 WeakPolarHBondContact O-CA 3.38Å; L366-L369 WeakPolarHBondContact O-CB 3.33Å; L366-L369 PolarHBondContact O-N 3.15Å; D367-L369 PolarHBondContact O-N 3.49Å; L369-E371 VanDerWaalsContact C-N 3.32Å; L369-E371 PolarHBondContact O-N 3.36Å; L369-R373 WeakPolarHBondContact O-CD 3.48Å; L369-R373 PolarHBondContact O-NH1 3.31Å
370M92.7Very high90.7Very high27 Ų2740.8 Ų40.813%0.13320%0.203CC..Hα-helixtrans-72.4-23.9-178.2-69.8167.456.500113.1V214 L345 L347 L366 D367 Q368 G372 R373 T375 V377V214-M370 HydrophobicContact CB-CE 4.07Å; V214-M370 HydrophobicContact CG1-CE 3.43Å; V214-M370 VanDerWaalsContact CG1-CE 3.43Å; V214-M370 HydrophobicContact CG2-CE 3.42Å; V214-M370 VanDerWaalsContact CG2-CE 3.42Å; L345-M370 HydrophobicContact CD2-CG 3.75Å; L347-M370 HydrophobicContact CD1-CG 4.04Å; L347-M370 HydrophobicContact CD1-SD 3.73Å; L366-M370 WeakPolarHBondContact O-CG 3.41Å; L366-M370 PolarHBondContact O-N 3.34Å; D367-M370 PolarHBondContact O-N 3.01Å; Q368-M370 VanDerWaalsContact C-N 3.3Å; M370-G372 PolarHBondContact O-N 3.1Å; M370-R373 PolarHBondContact O-N 3.24Å; M370-T375 HydrophobicContact CE-CG2 4.16Å; M370-T375 HydrophobicContact CG-CG2 3.86Å; M370-T375 HydrophobicContact SD-CG2 4.34Å; M370-V377 HydrophobicContact CE-CG2 4.48Å
371E91.9Very high90.1Very high139 Ų13939.6 Ų39.665%0.6519%0.194SC*.THydrogen-bonded Turntrans-56.5125.9-180-68.9-174178.900112.4D367 L369 R373D367-E371 PolarHBondContact O-N 3.24Å; L369-E371 VanDerWaalsContact C-N 3.32Å; L369-E371 PolarHBondContact O-N 3.36Å; E371-R373 VanDerWaalsContact C-N 3.29Å; E371-R373 PolarHBondContact O-N 3.47Å; E371-R373 PolarHBondContact O-NH1 3.38Å
372G92Very high89.2Confident64 Ų6437.6 Ų37.666%0.6619%0.186SC*.THydrogen-bonded Turntrans70.619176.300000114.9N212 M370N212-G372 PolarHBondContact OD1-O 2.9Å; N212-G372 VanDerWaalsContact OD1-O 3.1Å; M370-G372 PolarHBondContact O-N 3.1Å
373R94.9Very high88.4Confident37 Ų3740.5 Ų40.514%0.1421%0.207CC..SBendtrans-128.8147.3179.6-62.1-177.9-179.9759.3111.4D341 P342 L369 M370 E371 T375D341-R373 IonicContact OD1-CZ 2.72Å; D341-R373 IonicContact OD1-NE 2.68Å; D341-R373 IonicContact OD1-NH2 2.78Å; D341-R373 PolarHBondContact OD1-NH2 3.05Å; P342-R373 WeakPolarHBondContact O-CD 3.44Å; P342-R373 PolarHBondContact O-NE 3.43Å; L369-R373 WeakPolarHBondContact O-CD 3.48Å; L369-R373 PolarHBondContact O-NH1 3.31Å; M370-R373 PolarHBondContact O-N 3.24Å; E371-R373 VanDerWaalsContact C-N 3.29Å; E371-R373 PolarHBondContact O-N 3.47Å; E371-R373 PolarHBondContact O-NH1 3.38Å; R373-T375 PolarHBondContact O-N 3.02Å; R373-T375 PolarHBondContact O-OG1 3.27Å
374T97Very high87.7Confident8 Ų839.9 Ų39.95%0.04921%0.205CC..EExtended strand (participates in β ladder)trans-73.3113168.4-58.20000108I186 A209 P211 N212 K343 I344 L345I186-T374 HydrophobicContact CD1-CG2 4.13Å; A209-T374 HydrophobicContact CB-CG2 3.85Å; P211-T374 WeakPolarHBondContact CA-OG1 3.16Å; N212-T374 PolarHBondContact N-OG1 2.88Å; N212-T374 VanDerWaalsContact N-OG1 3.16Å; K343-T374 PolarHBondContact O-N 3.14Å; I344-T374 CarbonylContact C-O 3.58Å; I344-T374 WeakPolarHBondContact CA-O 3.34Å; L345-T374 PolarHBondContact N-O 2.98Å
375T96Very high87.1Confident0 Ų034.1 Ų34.10%018%0.183CC..EExtended strand (participates in β ladder)trans-112.7131.9-173.5-55.80000111T213 V214 I215 L345 L347 M370 R373 V377T213-T375 PolarHBondContact O-N 2.82Å; V214-T375 WeakPolarHBondContact CA-O 3.32Å; I215-T375 PolarHBondContact N-O 3.45Å; L345-T375 HydrophobicContact CB-CG2 4.17Å; L345-T375 HydrophobicContact CD2-CG2 4Å; L345-T375 HydrophobicContact CG-CG2 4.19Å; L345-T375 CarbonylContact O-C 3.6Å; L345-T375 VanDerWaalsContact O-CA 3.31Å; L345-T375 WeakPolarHBondContact O-CA 3.36Å; L347-T375 HydrophobicContact CD1-CG2 4.03Å; L347-T375 HydrophobicContact CG-CG2 4.2Å; M370-T375 HydrophobicContact CE-CG2 4.16Å; M370-T375 HydrophobicContact CG-CG2 3.86Å; M370-T375 HydrophobicContact SD-CG2 4.34Å; R373-T375 PolarHBondContact O-N 3.02Å; R373-T375 PolarHBondContact O-OG1 3.27Å; T375-V377 HydrophobicContact CG2-CG2 3.56Å
376L96.7Very high86.6Confident0 Ų036.9 Ų36.90%020%0.2CC..EExtended strand (participates in β ladder)trans-113.6126.5169.5-58.988.1000107.8I186 F207 I215 F217 F229 L232 I344 L345 M346 L347I186-L376 HydrophobicContact CD1-CD1 3.8Å; F207-L376 HydrophobicContact CE2-CD2 4.05Å; I215-L376 HydrophobicContact CD1-CD2 3.96Å; I215-L376 HydrophobicContact CD1-CG 4.08Å; I215-L376 HydrophobicContact CG1-CB 4.28Å; I215-L376 HydrophobicContact CG1-CD2 4.28Å; I215-L376 HydrophobicContact CG1-CG 3.85Å; I215-L376 CarbonylContact O-C 3.56Å; I215-L376 WeakPolarHBondContact O-CA 3.31Å; F217-L376 HydrophobicContact CE2-CB 4.25Å; F217-L376 HydrophobicContact CE2-CD2 3.96Å; F217-L376 HydrophobicContact CZ-CD2 4.35Å; F229-L376 HydrophobicContact CE1-CB 4Å; F229-L376 HydrophobicContact CZ-CB 4.16Å; F229-L376 WeakPolarHBondContact CZ-O 3.28Å; L232-L376 HydrophobicContact CD1-CD2 3.55Å; I344-L376 HydrophobicContact CG2-CD1 3.7Å; L345-L376 PolarHBondContact O-N 2.85Å; M346-L376 WeakPolarHBondContact CA-O 3.06Å; M346-L376 HydrophobicContact CG-CB 4.46Å; M346-L376 HydrophobicContact CG-CD1 4.43Å; L347-L376 PolarHBondContact N-O 3.4Å
377V94.4Very high86.3Confident3 Ų343.1 Ų43.12%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-123.1130.9-175.2-173.10000109.9V214 I215 A216 F217 L347 M370 T375 A379 T384V214-V377 HydrophobicContact CG1-CG2 4.06Å; I215-V377 PolarHBondContact O-N 2.87Å; A216-V377 CarbonylContact C-O 3.57Å; A216-V377 WeakPolarHBondContact CA-O 3.27Å; F217-V377 PolarHBondContact N-O 3.27Å; L347-V377 HydrophobicContact CB-CG1 4.19Å; L347-V377 HydrophobicContact CB-CG2 4.27Å; L347-V377 HydrophobicContact CD1-CG2 4.02Å; L347-V377 HydrophobicContact CG-CG2 4.41Å; L347-V377 CarbonylContact O-C 3.49Å; L347-V377 WeakPolarHBondContact O-CA 3.25Å; M370-V377 HydrophobicContact CE-CG2 4.48Å; T375-V377 HydrophobicContact CG2-CG2 3.56Å; V377-A379 HydrophobicContact CG1-CB 3.98Å; V377-T384 HydrophobicContact CG1-CG2 3.75Å
378I92.4Very high86.3Confident1 Ų140.1 Ų40.11%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-95.1112159.7-60.9168.6000106.2F217 K225 F229 L347 D348 E349F217-I378 HydrophobicContact CB-CG1 4.39Å; K225-I378 VanDerWaalsContact C-CD1 3.5Å; K225-I378 HydrophobicContact CB-CD1 3.97Å; K225-I378 HydrophobicContact CB-CG1 4.03Å; K225-I378 HydrophobicContact CB-CG2 3.91Å; K225-I378 HydrophobicContact CD-CG2 3.95Å; F229-I378 HydrophobicContact CB-CD1 4.45Å; F229-I378 HydrophobicContact CD1-CD1 3.75Å; F229-I378 HydrophobicContact CD1-CG1 4.09Å; F229-I378 HydrophobicContact CD2-CD1 3.69Å; F229-I378 HydrophobicContact CD2-CG1 4.36Å; F229-I378 HydrophobicContact CE1-CD1 3.86Å; F229-I378 HydrophobicContact CE1-CG1 3.68Å; F229-I378 HydrophobicContact CE2-CD1 3.8Å; F229-I378 HydrophobicContact CE2-CG1 3.98Å; F229-I378 HydrophobicContact CG-CD1 3.68Å; F229-I378 HydrophobicContact CG-CG1 4.43Å; F229-I378 HydrophobicContact CZ-CD1 3.89Å; F229-I378 HydrophobicContact CZ-CG1 3.63Å; L347-I378 PolarHBondContact O-N 3.36Å; D348-I378 HydrophobicContact CB-CD1 4.42Å; D348-I378 WeakPolarHBondContact OD1-CD1 3.43Å; E349-I378 HydrophobicContact CG-CG2 4.05Å; E349-I378 PolarHBondContact N-O 3.01Å
379A78Confident86.4Confident3 Ų340.5 Ų40.53%0.02522%0.223CC..  trans-115.8131.4-174.700000111.7F217 V377 T384 I385F217-A379 PolarHBondContact O-N 3.3Å; V377-A379 HydrophobicContact CG1-CB 3.98Å; A379-T384 HydrophobicContact CB-CG2 4.47Å; A379-I385 HydrophobicContact CB-CD1 3.85Å; A379-I385 HydrophobicContact CB-CG1 3.29Å
380H74Confident86.4Confident86 Ų8643 Ų4340%0.39823%0.234SC..SBendtrans-104.5-8.9169.3-160.4-71.9000112E349 Q422E349-H380 HydrophobicContact CG-CB 4.46Å; H380-Q422 PolarHBondContact O-NE2 3.2Å; H380-Q422 PolarHBondContact O-OE1 3.3Å
381R73Confident86.6Confident98 Ų9841.7 Ų41.737%0.3723%0.228SC..SBendtrans-109.6139.9177.9-71-70.5-158.3-176.41.8110.5E359 S383 T384 I385 Q422E359-R381 IonicContact OE1-CZ 2.79Å; E359-R381 IonicContact OE1-NE 3.05Å; E359-R381 PolarHBondContact OE1-NE 3.14Å; E359-R381 IonicContact OE1-NH2 3.18Å; R381-S383 VanDerWaalsContact C-N 3.28Å; R381-S383 PolarHBondContact O-N 3.18Å; R381-T384 PolarHBondContact O-N 3.16Å; R381-I385 WeakPolarHBondContact O-CG1 3.44Å; R381-Q422 VanDerWaalsContact C-OE1 3.3Å
382L71.8Confident86.7Confident36 Ų3635.9 Ų35.919%0.18820%0.2CC..Hα-helixtrans-59.3-39.9178.2-174.361.1000112T384 I385 V386 V419 V423L382-T384 VanDerWaalsContact C-N 3.27Å; L382-T384 PolarHBondContact O-N 3.44Å; L382-I385 PolarHBondContact O-N 3.49Å; L382-V386 HydrophobicContact CD1-CG2 3.7Å; L382-V386 HydrophobicContact CG-CG2 3.66Å; L382-V386 WeakPolarHBondContact O-CG2 3Å; L382-V386 PolarHBondContact O-N 3.22Å; L382-V419 HydrophobicContact CD1-CB 4.33Å; L382-V419 HydrophobicContact CD1-CG1 3.72Å; L382-V419 HydrophobicContact CD1-CG2 3.9Å; L382-V419 HydrophobicContact CD2-CG1 3.96Å; L382-V423 HydrophobicContact CD2-CG2 3.61Å
383S71.6Confident86.8Confident62 Ų6233 Ų3343%0.43417%0.17SC..Hα-helixtrans-54.2-39.8-179.8490000113.4R381R381-S383 VanDerWaalsContact C-N 3.28Å; R381-S383 PolarHBondContact O-N 3.18Å
384T73.8Confident86.8Confident14 Ų1431.3 Ų31.39%0.08616%0.163CC..Hα-helixtrans-80.6-18.8179.6-33.90000112.9Q363 V377 A379 R381 L382Q363-T384 PolarHBondContact OE1-OG1 3.45Å; V377-T384 HydrophobicContact CG1-CG2 3.75Å; A379-T384 HydrophobicContact CB-CG2 4.47Å; R381-T384 PolarHBondContact O-N 3.16Å; L382-T384 VanDerWaalsContact C-N 3.27Å; L382-T384 PolarHBondContact O-N 3.44Å
385I78.3Confident86.5Confident1 Ų132.9 Ų32.91%0.00517%0.17CC..Hα-helixtrans-89.4-36.3-178-63.1169000111.3A218 A379 R381 L382 D387 A388 I391 Y415 Y418A218-I385 HydrophobicContact CB-CD1 4.05Å; A379-I385 HydrophobicContact CB-CD1 3.85Å; A379-I385 HydrophobicContact CB-CG1 3.29Å; R381-I385 WeakPolarHBondContact O-CG1 3.44Å; L382-I385 PolarHBondContact O-N 3.49Å; I385-D387 VanDerWaalsContact C-N 3.28Å; I385-D387 PolarHBondContact O-N 2.86Å; I385-A388 WeakPolarHBondContact O-CB 2.9Å; I385-A388 PolarHBondContact O-N 2.92Å; I385-I391 HydrophobicContact CG2-CD1 3.44Å; I385-I391 VanDerWaalsContact CG2-CD1 3.44Å; I385-I391 HydrophobicContact CG2-CG1 3.88Å; I385-I391 HydrophobicContact CG2-CG2 4.24Å; I385-Y415 HydrophobicContact CG2-CE2 4.33Å; I385-Y415 WeakPolarHBondContact CG2-OH 3.13Å; I385-Y418 HydrophobicContact CD1-CE1 4.21Å
386V83.3Confident86.4Confident58 Ų5840 Ų4035%0.35220%0.201SC..Hα-helixtrans-60.7-37.9-171.5168.70000112.1L382L382-V386 HydrophobicContact CD1-CG2 3.7Å; L382-V386 HydrophobicContact CG-CG2 3.66Å; L382-V386 WeakPolarHBondContact O-CG2 3Å; L382-V386 PolarHBondContact O-N 3.22Å
387D84.5Confident86.2Confident132 Ų13240 Ų4071%0.70620%0.201SC*.THydrogen-bonded Turntrans-90.55-176.9-61.2-39.1000113.7I385I385-D387 VanDerWaalsContact C-N 3.28Å; I385-D387 PolarHBondContact O-N 2.86Å
388A90.7Very high86.3Confident7 Ų744 Ų446%0.05822%0.22CC..  trans-74.3137.7177.400000111.6V214 A216 I385 H390 I391V214-A388 HydrophobicContact CG1-CB 4.18Å; A216-A388 HydrophobicContact CB-CB 3.73Å; I385-A388 WeakPolarHBondContact O-CB 2.9Å; I385-A388 PolarHBondContact O-N 2.92Å; A388-H390 VanDerWaalsContact C-N 3.32Å; A388-H390 PolarHBondContact O-N 3.02Å; A388-I391 HydrophobicContact CB-CG1 4.04Å
389D93.7Very high86.4Confident75 Ų7546.2 Ų46.240%0.40123%0.233SC..SBendtrans-63.5-39.8176.9-63.4-68.3000111.6T213 V214T213-D389 VanDerWaalsContact CA-OD2 3.23Å; T213-D389 WeakPolarHBondContact CA-OD2 3.47Å; T213-D389 VanDerWaalsContact CB-OD2 3.31Å; T213-D389 WeakPolarHBondContact CB-OD2 3.29Å; V214-D389 PolarHBondContact N-OD2 3.43Å; V214-D389 WeakPolarHBondContact O-CB 3.28Å; V214-D389 PolarHBondContact O-N 2.84Å
390H94.5Very high87.2Confident52 Ų5248.8 Ų48.824%0.24125%0.248CC..EExtended strand (participates in β ladder)trans-140.9133.7178-66.5-66.5000111.1V214 I215 A216 A388 Y392 H402V214-H390 PolarHBondContact O-N 3.02Å; I215-H390 CarbonylContact C-O 3.58Å; I215-H390 WeakPolarHBondContact CA-O 3.36Å; I215-H390 HydrophobicContact CG2-CB 4Å; A216-H390 PolarHBondContact N-O 2.83Å; A388-H390 VanDerWaalsContact C-N 3.32Å; A388-H390 PolarHBondContact O-N 3.02Å; H390-Y392 HydrophobicContact CB-CE2 4.19Å; H390-H402 AromaticContact CG-NE2 3.97Å; H390-H402 AromaticContact ND1-NE2 3.58Å
391I95Very high88.2Confident0 Ų045 Ų450%023%0.233CC..EExtended strand (participates in β ladder)trans-114.6127.4177.2-56.9159.1000108.2A216 A218 I385 A388 H402 G403 H405 L408 Y415A216-I391 HydrophobicContact CB-CG1 4.21Å; A216-I391 CarbonylContact O-C 3.59Å; A216-I391 WeakPolarHBondContact O-CA 3.47Å; A218-I391 HydrophobicContact CB-CG2 3.97Å; I385-I391 HydrophobicContact CG2-CD1 3.44Å; I385-I391 VanDerWaalsContact CG2-CD1 3.44Å; I385-I391 HydrophobicContact CG2-CG1 3.88Å; I385-I391 HydrophobicContact CG2-CG2 4.24Å; A388-I391 HydrophobicContact CB-CG1 4.04Å; I391-H402 VanDerWaalsContact O-CA 3.29Å; I391-H402 WeakPolarHBondContact O-CA 3.47Å; I391-G403 WeakPolarHBondContact CB-O 3.25Å; I391-G403 PolarHBondContact N-O 2.79Å; I391-G403 PolarHBondContact O-N 3.36Å; I391-H405 HydrophobicContact CD1-CB 3.89Å; I391-L408 HydrophobicContact CB-CD1 3.56Å; I391-L408 HydrophobicContact CD1-CD1 4.29Å; I391-L408 HydrophobicContact CG2-CD1 3.61Å; I391-Y415 WeakPolarHBondContact CD1-OH 3.28Å; I391-Y415 HydrophobicContact CG2-CE2 4Å
392Y95.5Very high89.2Confident16 Ų1645.1 Ų45.16%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-105109.7171.3-64.6-90.2000108.3F207 E208 I215 A216 F217 A218 H390 V399 H402F207-Y392 HydrophobicContact CB-CD1 3.79Å; F207-Y392 HydrophobicContact CB-CD2 4.11Å; F207-Y392 HydrophobicContact CB-CE1 3.49Å; F207-Y392 VanDerWaalsContact CB-CE1 3.49Å; F207-Y392 HydrophobicContact CB-CE2 3.85Å; F207-Y392 HydrophobicContact CB-CG 4.08Å; E208-Y392 PolarHBondContact N-OH 3.3Å; E208-Y392 PolarHBondContact O-OH 2.95Å; I215-Y392 HydrophobicContact CB-CD2 4.42Å; I215-Y392 HydrophobicContact CB-CE2 4.18Å; I215-Y392 HydrophobicContact CD1-CD2 4.28Å; I215-Y392 HydrophobicContact CD1-CE2 4Å; I215-Y392 HydrophobicContact CG2-CE2 4.27Å; A216-Y392 PolarHBondContact O-N 3.06Å; F217-Y392 WeakPolarHBondContact CA-O 3.3Å; F217-Y392 HydrophobicContact CD1-CG 4.49Å; F217-Y392 HydrophobicContact CE1-CD2 4.21Å; F217-Y392 HydrophobicContact CE1-CG 4.26Å; A218-Y392 PolarHBondContact N-O 2.78Å; H390-Y392 HydrophobicContact CB-CE2 4.19Å; Y392-V399 HydrophobicContact CD1-CG1 4.06Å; Y392-H402 HydrophobicContact CD1-CB 4.32Å; Y392-H402 AromaticContact CD1-CD2 3.75Å; Y392-H402 HydrophobicContact CE1-CB 4.44Å; Y392-H402 AromaticContact CE1-CD2 3.28Å; Y392-H402 WeakPolarHBondContact CE1-CD2 3.5Å; Y392-H402 AromaticContact CE1-NE2 4Å; Y392-H402 AromaticContact CZ-CD2 3.49Å; Y392-H402 VanDerWaalsContact CZ-CD2 3.49Å; Y392-H402 AromaticContact CZ-NE2 3.82Å
393F94.4Very high90.3Very high5 Ų543.6 Ų43.62%0.02223%0.23CC..EExtended strand (participates in β ladder)trans-84.5119.9176-164-103.4000109.8A218 G219 V399 T400 G401 H412 L414 Y415 Y418A218-F393 HydrophobicContact CB-CD2 3.97Å; A218-F393 CarbonylContact O-C 3.55Å; A218-F393 VanDerWaalsContact O-CA 3.32Å; A218-F393 WeakPolarHBondContact O-CA 3.43Å; G219-F393 VanDerWaalsContact CA-CE2 3.41Å; F393-V399 WeakPolarHBondContact O-CA 3.32Å; F393-T400 WeakPolarHBondContact CD1-OG1 3.48Å; F393-T400 PolarHBondContact O-N 3.42Å; F393-T400 PolarHBondContact O-OG1 3.49Å; F393-G401 PolarHBondContact N-O 3.4Å; F393-H412 AromaticContact CD1-CE1 3.37Å; F393-H412 WeakPolarHBondContact CD1-CE1 3.06Å; F393-H412 AromaticContact CD1-ND1 3.98Å; F393-H412 AromaticContact CE1-CE1 3.75Å; F393-L414 HydrophobicContact CE1-CB 4.05Å; F393-L414 HydrophobicContact CZ-CB 4.46Å; F393-Y415 AromaticContact CD2-CD2 3.55Å; F393-Y415 HydrophobicContact CD2-CD2 3.55Å; F393-Y415 HydrophobicContact CD2-CE2 4.41Å; F393-Y415 HydrophobicContact CD2-CG 4.41Å; F393-Y415 AromaticContact CE2-CD2 3.94Å; F393-Y415 HydrophobicContact CE2-CD2 3.94Å; F393-Y415 HydrophobicContact CG-CD2 4.28Å; F393-Y418 HydrophobicContact CE2-CD1 4.09Å; F393-Y418 AromaticContact CE2-CG 3.99Å; F393-Y418 HydrophobicContact CE2-CG 3.99Å; F393-Y418 HydrophobicContact CZ-CG 4.41Å
394I94.1Very high91.3Very high0 Ų042.9 Ų42.90%022%0.223CC..EExtended strand (participates in β ladder)trans-111.6120.4-174.1-57.2174.6000110F217 A218 G223 K225 I228 E398F217-I394 HydrophobicContact CB-CD1 4.11Å; F217-I394 HydrophobicContact CD1-CD1 3.53Å; F217-I394 HydrophobicContact CD1-CG1 4.4Å; F217-I394 HydrophobicContact CE1-CD1 4.33Å; F217-I394 HydrophobicContact CG-CD1 4.13Å; A218-I394 PolarHBondContact O-N 3.26Å; G223-I394 WeakPolarHBondContact O-CG2 3.25Å; K225-I394 HydrophobicContact CG-CB 4.48Å; K225-I394 HydrophobicContact CG-CD1 4.26Å; I228-I394 HydrophobicContact CD1-CD1 3.24Å; I394-E398 WeakPolarHBondContact CA-O 3.42Å
395E91.8Very high92.2Very high42 Ų4243.5 Ų43.520%0.19623%0.225CC..EExtended strand (participates in β ladder)trans-127.9130.7174.8-167.8-164.2166.600110.1P220 G397 E398 T400 L414P220-E395 HydrophobicContact CG-CG 4.25Å; E395-G397 PolarHBondContact O-N 2.85Å; E395-E398 PolarHBondContact N-O 3.02Å; E395-E398 PolarHBondContact O-N 2.85Å; E395-T400 HydrophobicContact CB-CG2 4.07Å; E395-L414 VanDerWaalsContact OE2-CD1 3.24Å; E395-L414 WeakPolarHBondContact OE2-CD1 3.42Å
396K92Very high92.8Very high148 Ų14847.8 Ų47.864%0.64326%0.255SS*.THydrogen-bonded Turntrans49.834.7174-66.5164.3-175.1140.60113.9K203K203-K396 PolarHBondContact NZ-O 3.45Å; K203-K396 VanDerWaalsContact NZ-O 3.08Å
397G93.7Very high93.3Very high1 Ų150.2 Ų50.21%0.0126%0.263CS..THydrogen-bonded Turntrans84.48.1179.200000115.9I201 L202 K203 V205 G223 E395I201-G397 WeakPolarHBondContact O-CA 3.31Å; L202-G397 CarbonylContact C-O 3.53Å; K203-G397 PolarHBondContact N-O 2.84Å; V205-G397 WeakPolarHBondContact CG2-O 3.37Å; G223-G397 WeakPolarHBondContact O-CA 3.43Å; G223-G397 PolarHBondContact O-N 3.35Å; G223-G397 VanDerWaalsContact O-N 3.15Å; E395-G397 PolarHBondContact O-N 2.85Å
398E95.7Very high93.7Very high88 Ų8844 Ų4441%0.41123%0.229SC..EExtended strand (participates in β ladder)trans-123.8147.6-177.1-67.7168.1-147.400110.3K203 I394 E395 T400K203-E398 HydrophobicContact CB-CG 3.84Å; K203-E398 HydrophobicContact CD-CG 3.97Å; K203-E398 WeakPolarHBondContact CD-OE1 3.23Å; K203-E398 IonicContact NZ-OE1 3.84Å; K203-E398 PolarHBondContact NZ-OE1 3.11Å; I394-E398 WeakPolarHBondContact CA-O 3.42Å; E395-E398 PolarHBondContact N-O 3.02Å; E395-E398 PolarHBondContact O-N 2.85Å; E398-T400 PolarHBondContact O-N 2.98Å
399V95.6Very high93.8Very high47 Ų4747.1 Ų47.129%0.28524%0.244SC..EExtended strand (participates in β ladder)trans-81.1111.1170.9179.50000107.9V205 Y392 F393V205-V399 HydrophobicContact CB-CG2 4.27Å; V205-V399 HydrophobicContact CG1-CG2 3.55Å; V205-V399 HydrophobicContact CG2-CG2 4.39Å; Y392-V399 HydrophobicContact CD1-CG1 4.06Å; F393-V399 WeakPolarHBondContact O-CA 3.32Å
400T94.8Very high93.7Very high56 Ų5647.9 Ų47.934%0.34426%0.261SS..EExtended strand (participates in β ladder)trans-100.9-21.1-17849.50000112.9F393 E395 E398 H412F393-T400 WeakPolarHBondContact CD1-OG1 3.48Å; F393-T400 PolarHBondContact O-N 3.42Å; F393-T400 PolarHBondContact O-OG1 3.49Å; E395-T400 HydrophobicContact CB-CG2 4.07Å; E398-T400 PolarHBondContact O-N 2.98Å; T400-H412 VanDerWaalsContact C-NE2 3.32Å; T400-H412 WeakPolarHBondContact CB-NE2 3.42Å; T400-H412 PolarHBondContact O-CD2 3.06Å; T400-H412 PolarHBondContact O-NE2 3.35Å; T400-H412 PolarHBondContact OG1-NE2 3.05Å
401G94Very high93.6Very high8 Ų849.4 Ų49.48%0.08228%0.278CS..EExtended strand (participates in β ladder)trans-140.9144.5174.600000112.3F393F393-G401 PolarHBondContact N-O 3.4Å
402H95.2Very high93.6Very high100 Ų10050.4 Ų50.446%0.46328%0.283SS..EExtended strand (participates in β ladder)trans-142.9130.8172.6165.2-102.2000110.6H390 I391 Y392H390-H402 AromaticContact CG-NE2 3.97Å; H390-H402 AromaticContact ND1-NE2 3.58Å; I391-H402 VanDerWaalsContact O-CA 3.29Å; I391-H402 WeakPolarHBondContact O-CA 3.47Å; Y392-H402 HydrophobicContact CD1-CB 4.32Å; Y392-H402 AromaticContact CD1-CD2 3.75Å; Y392-H402 HydrophobicContact CE1-CB 4.44Å; Y392-H402 AromaticContact CE1-CD2 3.28Å; Y392-H402 WeakPolarHBondContact CE1-CD2 3.5Å; Y392-H402 AromaticContact CE1-NE2 4Å; Y392-H402 AromaticContact CZ-CD2 3.49Å; Y392-H402 VanDerWaalsContact CZ-CD2 3.49Å; Y392-H402 AromaticContact CZ-NE2 3.82Å
403G94.6Very high93.4Very high3 Ų354.7 Ų54.73%0.03131%0.312CS..EExtended strand (participates in β ladder)trans160.7-172.5176.500000112.2I391I391-G403 WeakPolarHBondContact CB-O 3.25Å; I391-G403 PolarHBondContact N-O 2.79Å; I391-G403 PolarHBondContact O-N 3.36Å
404T93.3Very high93.2Very high48 Ų4858 Ų5829%0.29433%0.329SS..  trans-72.8166.1169.162.10000111.1S406 E407 L408T404-S406 VanDerWaalsContact C-N 3.33Å; T404-S406 PolarHBondContact O-N 3Å; T404-E407 PolarHBondContact N-OE2 3.4Å; T404-E407 PolarHBondContact O-N 3.48Å; T404-E407 WeakPolarHBondContact OG1-CB 3.48Å; T404-E407 WeakPolarHBondContact OG1-CG 3.34Å; T404-E407 PolarHBondContact OG1-N 3.45Å; T404-E407 PolarHBondContact OG1-OE2 3.34Å; T404-L408 PolarHBondContact O-N 3.49Å
405H91.8Very high93.1Very high27 Ų2758 Ų5813%0.12533%0.329CS..Hα-helixtrans-52.4-50178.2177.261.4000112.6I391 E407 L408 I409 Y415I391-H405 HydrophobicContact CD1-CB 3.89Å; H405-E407 PolarHBondContact O-N 3.16Å; H405-L408 PolarHBondContact O-N 2.9Å; H405-I409 WeakPolarHBondContact CE1-CD1 3.38Å; H405-I409 WeakPolarHBondContact NE2-CD1 3.41Å; H405-I409 WeakPolarHBondContact O-CG1 3.32Å; H405-I409 PolarHBondContact O-N 2.95Å; H405-Y415 AromaticContact ND1-CE1 3.77Å; H405-Y415 AromaticContact ND1-CZ 3.74Å; H405-Y415 PolarHBondContact ND1-OH 3.15Å
406S91.5Very high93Very high91 Ų9157.2 Ų57.264%0.63633%0.331SS*.Hα-helixtrans-63.9-39.7-179.5-580000112.7T404 A410T404-S406 VanDerWaalsContact C-N 3.33Å; T404-S406 PolarHBondContact O-N 3Å; S406-A410 PolarHBondContact O-N 3.32Å
407E93.5Very high92.9Very high108 Ų10854.9 Ų54.951%0.50532%0.322SS..Hα-helixtrans-66.9-42.2177.5-72.4167158.600111.7T404 H405 A410 S411T404-E407 PolarHBondContact N-OE2 3.4Å; T404-E407 PolarHBondContact O-N 3.48Å; T404-E407 WeakPolarHBondContact OG1-CB 3.48Å; T404-E407 WeakPolarHBondContact OG1-CG 3.34Å; T404-E407 PolarHBondContact OG1-N 3.45Å; T404-E407 PolarHBondContact OG1-OE2 3.34Å; H405-E407 PolarHBondContact O-N 3.16Å; E407-A410 PolarHBondContact O-N 3.47Å; E407-S411 VanDerWaalsContact O-CB 3.27Å; E407-S411 WeakPolarHBondContact O-CB 3.5Å; E407-S411 PolarHBondContact O-N 3.15Å; E407-S411 PolarHBondContact O-OG 3.45Å
408L92.6Very high92.5Very high1 Ų156 Ų561%0.00533%0.326CS..Hα-helixtrans-71.7-35.3-179.3-74179.5000113.1I391 T404 H405 A410 S411 H412 Y415I391-L408 HydrophobicContact CB-CD1 3.56Å; I391-L408 HydrophobicContact CD1-CD1 4.29Å; I391-L408 HydrophobicContact CG2-CD1 3.61Å; T404-L408 PolarHBondContact O-N 3.49Å; H405-L408 PolarHBondContact O-N 2.9Å; L408-A410 PolarHBondContact O-N 2.88Å; L408-S411 PolarHBondContact O-N 2.98Å; L408-H412 HydrophobicContact CD2-CB 4.05Å; L408-H412 WeakPolarHBondContact O-CA 3.47Å; L408-H412 WeakPolarHBondContact O-CB 3.44Å; L408-H412 PolarHBondContact O-N 3.18Å; L408-Y415 HydrophobicContact CB-CD1 3.33Å; L408-Y415 HydrophobicContact CB-CD2 4.36Å; L408-Y415 HydrophobicContact CB-CE1 3.57Å; L408-Y415 HydrophobicContact CB-CG 3.76Å; L408-Y415 HydrophobicContact CD1-CD1 4.46Å; L408-Y415 HydrophobicContact CD1-CD2 4.09Å; L408-Y415 HydrophobicContact CD1-CE1 4.42Å; L408-Y415 HydrophobicContact CD1-CE2 4.09Å; L408-Y415 HydrophobicContact CD1-CG 4.28Å
409I91.9Very high92Very high73 Ų7352.4 Ų52.437%0.37431%0.31SS..Hα-helixtrans-58.5-42.4171.5-73.6178.6000110.4H405 Y415 V419H405-I409 WeakPolarHBondContact CE1-CD1 3.38Å; H405-I409 WeakPolarHBondContact NE2-CD1 3.41Å; H405-I409 WeakPolarHBondContact O-CG1 3.32Å; H405-I409 PolarHBondContact O-N 2.95Å; I409-Y415 HydrophobicContact CG1-CD1 4.16Å; I409-Y415 HydrophobicContact CG1-CE1 3.9Å; I409-V419 HydrophobicContact CD1-CG1 4.27Å
410A92.3Very high91.6Very high91 Ų9156.6 Ų56.675%0.75233%0.327SS*.Hα-helixtrans-76.8-34.6-176.900000113.3S406 E407 L408S406-A410 PolarHBondContact O-N 3.32Å; E407-A410 PolarHBondContact O-N 3.47Å; L408-A410 PolarHBondContact O-N 2.88Å
411S93.3Very high90.9Very high85 Ų8558.8 Ų58.859%0.59433%0.333SS*.Hα-helixtrans-104.5-23-169.263.70000115.1E407 L408E407-S411 VanDerWaalsContact O-CB 3.27Å; E407-S411 WeakPolarHBondContact O-CB 3.5Å; E407-S411 PolarHBondContact O-N 3.15Å; E407-S411 PolarHBondContact O-OG 3.45Å; L408-S411 PolarHBondContact O-N 2.98Å
412H93.3Very high89.9Confident21 Ų2159.8 Ų59.810%0.09734%0.336CS..  trans-122.397.4-170.9-167.1-86.2000111.7F393 T400 L408 L414 Y415 A416F393-H412 AromaticContact CD1-CE1 3.37Å; F393-H412 WeakPolarHBondContact CD1-CE1 3.06Å; F393-H412 AromaticContact CD1-ND1 3.98Å; F393-H412 AromaticContact CE1-CE1 3.75Å; T400-H412 VanDerWaalsContact C-NE2 3.32Å; T400-H412 WeakPolarHBondContact CB-NE2 3.42Å; T400-H412 PolarHBondContact O-CD2 3.06Å; T400-H412 PolarHBondContact O-NE2 3.35Å; T400-H412 PolarHBondContact OG1-NE2 3.05Å; L408-H412 HydrophobicContact CD2-CB 4.05Å; L408-H412 WeakPolarHBondContact O-CA 3.47Å; L408-H412 WeakPolarHBondContact O-CB 3.44Å; L408-H412 PolarHBondContact O-N 3.18Å; H412-L414 VanDerWaalsContact C-N 3.33Å; H412-L414 PolarHBondContact O-N 3.26Å; H412-Y415 WeakPolarHBondContact ND1-CB 3.47Å; H412-Y415 PolarHBondContact ND1-N 3.36Å; H412-Y415 WeakPolarHBondContact O-CB 3.29Å; H412-Y415 PolarHBondContact O-N 2.93Å; H412-A416 PolarHBondContact O-N 3.25Å
413P92Very high88.5Confident105 Ų10559.9 Ų59.968%0.68234%0.343SS*.Hα-helixtrans-55.6-39.9-172.5-28.334.8000114.9Y415 A416 Q417P413-Y415 VanDerWaalsContact C-N 3.31Å; P413-Y415 PolarHBondContact O-N 3.02Å; P413-A416 PolarHBondContact O-N 3.41Å; P413-Q417 PolarHBondContact O-N 3.39Å
414L90.1Very high86.4Confident74 Ų7465.3 Ų65.339%0.38738%0.375SS..Hα-helixtrans-69.7-30.8178.5-70.4172.4000112.4F393 E395 H412 Y418F393-L414 HydrophobicContact CE1-CB 4.05Å; F393-L414 HydrophobicContact CZ-CB 4.46Å; E395-L414 VanDerWaalsContact OE2-CD1 3.24Å; E395-L414 WeakPolarHBondContact OE2-CD1 3.42Å; H412-L414 VanDerWaalsContact C-N 3.33Å; H412-L414 PolarHBondContact O-N 3.26Å; L414-Y418 VanDerWaalsContact O-CB 3.27Å; L414-Y418 WeakPolarHBondContact O-CB 3.42Å; L414-Y418 PolarHBondContact O-N 3.01Å
415Y91.4Very high83.8Confident0 Ų071 Ų710%040%0.404CS..Hα-helixtrans-71.7-44.9175.1177.7-93.8000109.6A218 I385 I391 F393 H405 L408 I409 H412 P413 Q417 Y418 V419A218-Y415 HydrophobicContact CB-CE2 4.33Å; I385-Y415 HydrophobicContact CG2-CE2 4.33Å; I385-Y415 WeakPolarHBondContact CG2-OH 3.13Å; I391-Y415 WeakPolarHBondContact CD1-OH 3.28Å; I391-Y415 HydrophobicContact CG2-CE2 4Å; F393-Y415 AromaticContact CD2-CD2 3.55Å; F393-Y415 HydrophobicContact CD2-CD2 3.55Å; F393-Y415 HydrophobicContact CD2-CE2 4.41Å; F393-Y415 HydrophobicContact CD2-CG 4.41Å; F393-Y415 AromaticContact CE2-CD2 3.94Å; F393-Y415 HydrophobicContact CE2-CD2 3.94Å; F393-Y415 HydrophobicContact CG-CD2 4.28Å; H405-Y415 AromaticContact ND1-CE1 3.77Å; H405-Y415 AromaticContact ND1-CZ 3.74Å; H405-Y415 PolarHBondContact ND1-OH 3.15Å; L408-Y415 HydrophobicContact CB-CD1 3.33Å; L408-Y415 HydrophobicContact CB-CD2 4.36Å; L408-Y415 HydrophobicContact CB-CE1 3.57Å; L408-Y415 HydrophobicContact CB-CG 3.76Å; L408-Y415 HydrophobicContact CD1-CD1 4.46Å; L408-Y415 HydrophobicContact CD1-CD2 4.09Å; L408-Y415 HydrophobicContact CD1-CE1 4.42Å; L408-Y415 HydrophobicContact CD1-CE2 4.09Å; L408-Y415 HydrophobicContact CD1-CG 4.28Å; I409-Y415 HydrophobicContact CG1-CD1 4.16Å; I409-Y415 HydrophobicContact CG1-CE1 3.9Å; H412-Y415 WeakPolarHBondContact ND1-CB 3.47Å; H412-Y415 PolarHBondContact ND1-N 3.36Å; H412-Y415 WeakPolarHBondContact O-CB 3.29Å; H412-Y415 PolarHBondContact O-N 2.93Å; P413-Y415 VanDerWaalsContact C-N 3.31Å; P413-Y415 PolarHBondContact O-N 3.02Å; Y415-Q417 VanDerWaalsContact C-N 3.28Å; Y415-Q417 PolarHBondContact O-N 2.86Å; Y415-Y418 WeakPolarHBondContact O-CB 3.33Å; Y415-Y418 PolarHBondContact O-N 3.2Å; Y415-Y418 VanDerWaalsContact O-N 3.16Å; Y415-V419 HydrophobicContact CD1-CG2 3.91Å; Y415-V419 HydrophobicContact CE1-CG2 3.47Å; Y415-V419 VanDerWaalsContact CE1-CG2 3.47Å; Y415-V419 HydrophobicContact CE2-CG2 4.19Å; Y415-V419 HydrophobicContact CG-CG2 4.46Å; Y415-V419 WeakPolarHBondContact O-CG2 3.41Å; Y415-V419 PolarHBondContact O-N 3.09Å
416A90.7Very high83.4Confident27 Ų2773.2 Ų73.222%0.22342%0.418CS..Hα-helixtrans-57.1-42.7174.800000111.9H412 P413 V419 Q420H412-A416 PolarHBondContact O-N 3.25Å; P413-A416 PolarHBondContact O-N 3.41Å; A416-V419 PolarHBondContact O-N 2.86Å; A416-Q420 WeakPolarHBondContact O-CB 3.35Å; A416-Q420 PolarHBondContact O-N 2.97Å
417Q89Confident83Confident99 Ų9972.3 Ų72.346%0.46341%0.406SS..Hα-helixtrans-62.7-48.5173.7-176.4-175.4-16.400111.9P413 Y415 V419 Q420 E421P413-Q417 PolarHBondContact O-N 3.39Å; Y415-Q417 VanDerWaalsContact C-N 3.28Å; Y415-Q417 PolarHBondContact O-N 2.86Å; Q417-V419 VanDerWaalsContact C-N 3.28Å; Q417-V419 PolarHBondContact O-N 2.91Å; Q417-Q420 WeakPolarHBondContact O-CB 3.25Å; Q417-Q420 PolarHBondContact O-N 3.47Å; Q417-Q420 VanDerWaalsContact O-N 3.1Å; Q417-E421 PolarHBondContact NE2-OE1 3.29Å; Q417-E421 WeakPolarHBondContact O-CG 3.46Å; Q417-E421 PolarHBondContact O-N 2.99Å
418Y85.5Confident82.4Confident24 Ų2470.3 Ų70.39%0.09440%0.401CS..Hα-helixtrans-57.6-41178.2178.7-98.5000112.1A218 I385 F393 L414 Y415 Q422A218-Y418 HydrophobicContact CB-CE1 4.43Å; I385-Y418 HydrophobicContact CD1-CE1 4.21Å; F393-Y418 HydrophobicContact CE2-CD1 4.09Å; F393-Y418 AromaticContact CE2-CG 3.99Å; F393-Y418 HydrophobicContact CE2-CG 3.99Å; F393-Y418 HydrophobicContact CZ-CG 4.41Å; L414-Y418 VanDerWaalsContact O-CB 3.27Å; L414-Y418 WeakPolarHBondContact O-CB 3.42Å; L414-Y418 PolarHBondContact O-N 3.01Å; Y415-Y418 WeakPolarHBondContact O-CB 3.33Å; Y415-Y418 PolarHBondContact O-N 3.2Å; Y415-Y418 VanDerWaalsContact O-N 3.16Å; Y418-Q422 WeakPolarHBondContact O-CG 3.38Å; Y418-Q422 PolarHBondContact OH-NE2 3.28Å; Y418-Q422 VanDerWaalsContact OH-NE2 3.16Å
419V86.5Confident81.8Confident12 Ų1274.4 Ų74.47%0.07342%0.424CS..Hα-helixtrans-65.3-45.4174.2169.60000111.1L382 I409 Y415 A416 Q417 E421 Q422 V423L382-V419 HydrophobicContact CD1-CB 4.33Å; L382-V419 HydrophobicContact CD1-CG1 3.72Å; L382-V419 HydrophobicContact CD1-CG2 3.9Å; L382-V419 HydrophobicContact CD2-CG1 3.96Å; I409-V419 HydrophobicContact CD1-CG1 4.27Å; Y415-V419 HydrophobicContact CD1-CG2 3.91Å; Y415-V419 HydrophobicContact CE1-CG2 3.47Å; Y415-V419 VanDerWaalsContact CE1-CG2 3.47Å; Y415-V419 HydrophobicContact CE2-CG2 4.19Å; Y415-V419 HydrophobicContact CG-CG2 4.46Å; Y415-V419 WeakPolarHBondContact O-CG2 3.41Å; Y415-V419 PolarHBondContact O-N 3.09Å; A416-V419 PolarHBondContact O-N 2.86Å; Q417-V419 VanDerWaalsContact C-N 3.28Å; Q417-V419 PolarHBondContact O-N 2.91Å; V419-E421 VanDerWaalsContact C-N 3.3Å; V419-E421 PolarHBondContact O-N 3.24Å; V419-Q422 PolarHBondContact O-N 3.39Å; V419-V423 HydrophobicContact CG1-CG2 4.46Å; V419-V423 PolarHBondContact O-N 2.98Å
420Q85.2Confident81.1Confident136 Ų13674.4 Ų74.464%0.63643%0.427SS*.Hα-helixtrans-60.6-39.8-179.5-172.9175.95.200112.2A416 Q417 Q422 V423 V424A416-Q420 WeakPolarHBondContact O-CB 3.35Å; A416-Q420 PolarHBondContact O-N 2.97Å; Q417-Q420 WeakPolarHBondContact O-CB 3.25Å; Q417-Q420 PolarHBondContact O-N 3.47Å; Q417-Q420 VanDerWaalsContact O-N 3.1Å; Q420-Q422 PolarHBondContact O-N 3.07Å; Q420-V423 PolarHBondContact O-N 3.22Å; Q420-V424 WeakPolarHBondContact O-CG2 3.33Å; Q420-V424 PolarHBondContact O-N 3.39Å
421E81.8Confident80.4Confident101 Ų10173.3 Ų73.347%0.47241%0.405SS..Hα-helixtrans-63.8-22.3176.1-71.7172.8-171.100113.1Q417 V419 N425Q417-E421 PolarHBondContact NE2-OE1 3.29Å; Q417-E421 WeakPolarHBondContact O-CG 3.46Å; Q417-E421 PolarHBondContact O-N 2.99Å; V419-E421 VanDerWaalsContact C-N 3.3Å; V419-E421 PolarHBondContact O-N 3.24Å; E421-N425 PolarHBondContact O-ND2 3.35Å
422Q72.1Confident79.5Confident30 Ų3072.5 Ų72.514%0.1439%0.392CS..Hα-helixtrans-94.7-14.8177.7-66.2-169.616.900115H380 R381 Y418 V419 Q420H380-Q422 PolarHBondContact O-NE2 3.2Å; H380-Q422 PolarHBondContact O-OE1 3.3Å; R381-Q422 VanDerWaalsContact C-OE1 3.3Å; Y418-Q422 WeakPolarHBondContact O-CG 3.38Å; Y418-Q422 PolarHBondContact OH-NE2 3.28Å; Y418-Q422 VanDerWaalsContact OH-NE2 3.16Å; V419-Q422 PolarHBondContact O-N 3.39Å; Q420-Q422 PolarHBondContact O-N 3.07Å
423V66.4Low78.4Confident101 Ų10176.5 Ų76.561%0.61242%0.415SS*.Hα-helixtrans-83.9-28.2173.5175.80000111L382 V419 Q420L382-V423 HydrophobicContact CD2-CG2 3.61Å; V419-V423 HydrophobicContact CG1-CG2 4.46Å; V419-V423 PolarHBondContact O-N 2.98Å; Q420-V423 PolarHBondContact O-N 3.22Å
424V49.8Very low77.3Confident118 Ų11874.1 Ų74.172%0.71539%0.392SS*.  trans-82-16.6-178.4179.20000112.5Q420Q420-V424 WeakPolarHBondContact O-CG2 3.33Å; Q420-V424 PolarHBondContact O-N 3.39Å
425N38.8Very low76.1Confident167 Ų16774.1 Ų74.189%0.89339%0.393SS*.  trans-113.40177.1-65.5-50.7000110.7E421E421-N425 PolarHBondContact O-ND2 3.35Å

Retrieved 425 of 425 residues in 1679.4 ms (Link to these results)

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