A0A077Z900_TRITR Loading...

DNA repair protein complementing XP C cells

AlphaFold DB , UniProt , Accession A0A077Z900, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 561 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
1M58.6Low79.5Confident154 Ų154108.5 Ų108.576%0.75950%0.5SS*.  01310-169.3175-73.600108.9V5 K6 K9M1-V5 HydrophobicContact CG-CB 3.88Å; M1-V5 HydrophobicContact CG-CG1 3.72Å; M1-V5 HydrophobicContact SD-CG1 3.96Å; M1-K6 HydrophobicContact CG-CB 4.49Å; M1-K6 HydrophobicContact SD-CB 4.14Å; M1-K9 HydrophobicContact CE-CD 3.71Å; M1-K9 VanDerWaalsContact CE-NZ 3.33Å; M1-K9 HydrophobicContact SD-CD 3.85Å
2N79Confident80Confident101 Ų101108.5 Ų108.554%0.5449%0.493SS..  trans-58.9138.8175.2-178.8-22.7000109.8I4 V5 K6N2-I4 PolarHBondContact O-N 3.21Å; N2-I4 VanDerWaalsContact O-N 3.16Å; N2-I4 PolarHBondContact OD1-N 3.35Å; N2-I4 VanDerWaalsContact OD1-N 3.14Å; N2-V5 HydrophobicContact CB-CB 4.36Å; N2-V5 HydrophobicContact CB-CG2 3.99Å; N2-V5 WeakPolarHBondContact O-CA 3.26Å; N2-V5 WeakPolarHBondContact O-CB 3.46Å; N2-V5 PolarHBondContact O-N 2.93Å; N2-K6 PolarHBondContact O-N 3.45Å
3R79.6Confident80.5Confident202 Ų202102.2 Ų102.276%0.76246%0.464SS*.Hα-helixtrans-51.3-39.7-179.7-176.3-179.9178.5-172.5-0.9111.8K6 I7R3-K6 PolarHBondContact O-N 3.29Å; R3-I7 HydrophobicContact CG-CD1 4.04Å; R3-I7 WeakPolarHBondContact O-CG1 3.2Å; R3-I7 PolarHBondContact O-N 3.35Å
4I82.4Confident81.3Confident97 Ų9797.5 Ų97.550%0.49744%0.443SS..Hα-helixtrans-63.8-44.1178-62.8170.4000110.9N2 K6 I7 R8N2-I4 PolarHBondContact O-N 3.21Å; N2-I4 VanDerWaalsContact O-N 3.16Å; N2-I4 PolarHBondContact OD1-N 3.35Å; N2-I4 VanDerWaalsContact OD1-N 3.14Å; I4-K6 VanDerWaalsContact C-N 3.32Å; I4-K6 PolarHBondContact O-N 2.78Å; I4-I7 PolarHBondContact O-N 2.59Å; I4-R8 WeakPolarHBondContact O-CG 3.46Å; I4-R8 PolarHBondContact O-N 2.77Å
5V78.4Confident81.9Confident62 Ų6295 Ų9538%0.37644%0.438SS..Hα-helixtrans-65-39.1178.4177.20000110.6M1 N2 R8 K9M1-V5 HydrophobicContact CG-CB 3.88Å; M1-V5 HydrophobicContact CG-CG1 3.72Å; M1-V5 HydrophobicContact SD-CG1 3.96Å; N2-V5 HydrophobicContact CB-CB 4.36Å; N2-V5 HydrophobicContact CB-CG2 3.99Å; N2-V5 WeakPolarHBondContact O-CA 3.26Å; N2-V5 WeakPolarHBondContact O-CB 3.46Å; N2-V5 PolarHBondContact O-N 2.93Å; V5-R8 PolarHBondContact O-N 3.05Å; V5-K9 WeakPolarHBondContact O-CG 3.38Å; V5-K9 PolarHBondContact O-N 3.35Å
6K77.2Confident82.4Confident131 Ų13189.9 Ų89.957%0.5742%0.415SS*.Hα-helixtrans-60.7-51.3175.2-172.3-172.9174.7-168.10111.3M1 N2 R3 I4 R8 K9 E10M1-K6 HydrophobicContact CG-CB 4.49Å; M1-K6 HydrophobicContact SD-CB 4.14Å; N2-K6 PolarHBondContact O-N 3.45Å; R3-K6 PolarHBondContact O-N 3.29Å; I4-K6 VanDerWaalsContact C-N 3.32Å; I4-K6 PolarHBondContact O-N 2.78Å; K6-R8 VanDerWaalsContact C-N 3.31Å; K6-R8 PolarHBondContact O-N 3.42Å; K6-K9 PolarHBondContact O-N 2.74Å; K6-E10 WeakPolarHBondContact O-CB 3.44Å; K6-E10 PolarHBondContact O-N 3.42Å
7I82.4Confident82.9Confident76 Ų7684.6 Ų84.639%0.3939%0.391SS..Hα-helixtrans-59.2-42.8178.5-67.3166.5000110.7R3 I4 E10 N11R3-I7 HydrophobicContact CG-CD1 4.04Å; R3-I7 WeakPolarHBondContact O-CG1 3.2Å; R3-I7 PolarHBondContact O-N 3.35Å; I4-I7 PolarHBondContact O-N 2.59Å; I7-E10 PolarHBondContact O-N 2.96Å; I7-N11 WeakPolarHBondContact O-CB 3.35Å; I7-N11 VanDerWaalsContact O-CG 3.29Å; I7-N11 PolarHBondContact O-N 3.46Å; I7-N11 PolarHBondContact O-OD1 3.05Å
8R85Confident83.5Confident173 Ų17384.3 Ų84.365%0.65339%0.392SS*.Hα-helixtrans-62.8-43.2176.6-74.3179.4178.4177.9-0.5112.9I4 V5 K6 E10 R12I4-R8 WeakPolarHBondContact O-CG 3.46Å; I4-R8 PolarHBondContact O-N 2.77Å; V5-R8 PolarHBondContact O-N 3.05Å; K6-R8 VanDerWaalsContact C-N 3.31Å; K6-R8 PolarHBondContact O-N 3.42Å; R8-E10 VanDerWaalsContact C-N 3.31Å; R8-E10 PolarHBondContact O-N 3.25Å; R8-R12 WeakPolarHBondContact O-CB 3.35Å; R8-R12 PolarHBondContact O-N 2.84Å
9K80.1Confident83.9Confident65 Ų6582.7 Ų82.728%0.28339%0.39SS..Hα-helixtrans-62.2-40.5176.2-76.8-166.6178.6-164.60111M1 V5 K6 H13 E135M1-K9 HydrophobicContact CE-CD 3.71Å; M1-K9 VanDerWaalsContact CE-NZ 3.33Å; M1-K9 HydrophobicContact SD-CD 3.85Å; V5-K9 WeakPolarHBondContact O-CG 3.38Å; V5-K9 PolarHBondContact O-N 3.35Å; K6-K9 PolarHBondContact O-N 2.74Å; K9-H13 WeakPolarHBondContact O-CB 3.03Å; K9-H13 PolarHBondContact O-N 3.13Å; K9-E135 IonicContact NZ-OE1 3.18Å; K9-E135 PolarHBondContact NZ-OE1 3.08Å
10E84.1Confident84.3Confident54 Ų5478.9 Ų78.925%0.25237%0.372SS..Hα-helixtrans-66.6-48.8177.6-170.5172169.700112.3K6 I7 R8 R12 H13 Q14K6-E10 WeakPolarHBondContact O-CB 3.44Å; K6-E10 PolarHBondContact O-N 3.42Å; I7-E10 PolarHBondContact O-N 2.96Å; R8-E10 VanDerWaalsContact C-N 3.31Å; R8-E10 PolarHBondContact O-N 3.25Å; E10-R12 VanDerWaalsContact C-N 3.3Å; E10-R12 PolarHBondContact O-N 3.15Å; E10-H13 WeakPolarHBondContact O-CA 3.44Å; E10-H13 WeakPolarHBondContact O-CB 3.31Å; E10-H13 PolarHBondContact O-N 3.47Å; E10-H13 VanDerWaalsContact O-N 3.09Å; E10-Q14 WeakPolarHBondContact O-CG 3.47Å; E10-Q14 PolarHBondContact O-N 3.33Å
11N87.5Confident84.7Confident79 Ų7975.3 Ų75.342%0.42236%0.355SS..Hα-helixtrans-59.4-40.8175.7-69.52.1000111.8I7 H13 Q14 V15I7-N11 WeakPolarHBondContact O-CB 3.35Å; I7-N11 VanDerWaalsContact O-CG 3.29Å; I7-N11 PolarHBondContact O-N 3.46Å; I7-N11 PolarHBondContact O-OD1 3.05Å; N11-H13 VanDerWaalsContact C-N 3.34Å; N11-H13 PolarHBondContact O-N 2.84Å; N11-Q14 WeakPolarHBondContact O-CB 3.44Å; N11-Q14 PolarHBondContact O-N 2.83Å; N11-V15 WeakPolarHBondContact O-CG2 3.28Å; N11-V15 PolarHBondContact O-N 2.95Å
12R86.1Confident86.4Confident108 Ų10870.5 Ų70.541%0.40834%0.34SS..Hα-helixtrans-61-44.7174.9-176.3177.565.8-160.26.7111.2R8 E10 V15 L16R8-R12 WeakPolarHBondContact O-CB 3.35Å; R8-R12 PolarHBondContact O-N 2.84Å; E10-R12 VanDerWaalsContact C-N 3.3Å; E10-R12 PolarHBondContact O-N 3.15Å; R12-V15 PolarHBondContact O-N 3.17Å; R12-L16 HydrophobicContact CG-CD1 4.24Å; R12-L16 VanDerWaalsContact O-CG 3.26Å; R12-L16 WeakPolarHBondContact O-CG 3.37Å; R12-L16 PolarHBondContact O-N 3.3Å
13H86.6Confident87Confident26 Ų2667.7 Ų67.712%0.1232%0.324CS..Hα-helixtrans-59.3-46.7175.2-172171.5000110.9K9 E10 N11 V15 L16 L17 F132 Y230 W259 I261K9-H13 WeakPolarHBondContact O-CB 3.03Å; K9-H13 PolarHBondContact O-N 3.13Å; E10-H13 WeakPolarHBondContact O-CA 3.44Å; E10-H13 WeakPolarHBondContact O-CB 3.31Å; E10-H13 PolarHBondContact O-N 3.47Å; E10-H13 VanDerWaalsContact O-N 3.09Å; N11-H13 VanDerWaalsContact C-N 3.34Å; N11-H13 PolarHBondContact O-N 2.84Å; H13-V15 PolarHBondContact O-N 3.49Å; H13-L16 WeakPolarHBondContact O-CB 3.26Å; H13-L16 PolarHBondContact O-N 2.95Å; H13-L17 WeakPolarHBondContact O-CG 3.34Å; H13-L17 PolarHBondContact O-N 3.46Å; H13-F132 HydrophobicContact CB-CD1 4.48Å; H13-F132 AromaticContact CD2-CD1 3.54Å; H13-F132 AromaticContact CD2-CE1 3.07Å; H13-F132 WeakPolarHBondContact CD2-CE1 3.4Å; H13-F132 AromaticContact CD2-CZ 3.54Å; H13-F132 AromaticContact CG-CD1 3.85Å; H13-F132 AromaticContact CG-CE1 3.85Å; H13-F132 AromaticContact NE2-CD1 3.78Å; H13-F132 AromaticContact NE2-CE1 3.36Å; H13-F132 WeakPolarHBondContact NE2-CE1 3.22Å; H13-F132 AromaticContact NE2-CE2 3.78Å; H13-F132 AromaticContact NE2-CZ 3.34Å; H13-F132 VanDerWaalsContact NE2-CZ 3.34Å; H13-F132 WeakPolarHBondContact NE2-CZ 3.41Å; H13-Y230 PolarHBondContact CE1-OH 3.38Å; H13-Y230 AromaticContact NE2-CE2 3.33Å; H13-Y230 VanDerWaalsContact NE2-CE2 3.33Å; H13-Y230 WeakPolarHBondContact NE2-CE2 3.29Å; H13-Y230 AromaticContact NE2-CZ 3.58Å; H13-Y230 PolarHBondContact NE2-OH 3.16Å; H13-Y230 VanDerWaalsContact NE2-OH 3.13Å; H13-W259 PolarHBondContact CE1-O 3.32Å; H13-W259 VanDerWaalsContact CE1-O 3.23Å; H13-I261 HydrophobicContact CB-CD1 4.16Å
14Q91Very high87.6Confident37 Ų3758.1 Ų58.117%0.17329%0.287CS..Hα-helixtrans-56.7-48.1177-69.7176.3-15.700112.4E10 N11 L16 L17 L18 I261 W265E10-Q14 WeakPolarHBondContact O-CG 3.47Å; E10-Q14 PolarHBondContact O-N 3.33Å; N11-Q14 WeakPolarHBondContact O-CB 3.44Å; N11-Q14 PolarHBondContact O-N 2.83Å; Q14-L16 VanDerWaalsContact C-N 3.32Å; Q14-L16 PolarHBondContact O-N 2.8Å; Q14-L17 PolarHBondContact O-N 2.85Å; Q14-L17 VanDerWaalsContact O-N 3.17Å; Q14-L18 WeakPolarHBondContact O-CG 3.3Å; Q14-L18 PolarHBondContact O-N 3.06Å; Q14-I261 HydrophobicContact CB-CD1 4.21Å; Q14-I261 HydrophobicContact CG-CD1 3.3Å; Q14-W265 HydrophobicContact CB-CE3 4.44Å; Q14-W265 HydrophobicContact CB-CH2 3.61Å; Q14-W265 HydrophobicContact CB-CZ2 3.83Å; Q14-W265 HydrophobicContact CB-CZ3 3.94Å; Q14-W265 HydrophobicContact CG-CD2 4.07Å; Q14-W265 HydrophobicContact CG-CE3 3.84Å; Q14-W265 HydrophobicContact CG-CH2 3.94Å; Q14-W265 HydrophobicContact CG-CZ2 4.14Å; Q14-W265 HydrophobicContact CG-CZ3 3.78Å; Q14-W265 WeakPolarHBondContact O-CH2 3.46Å
15V91.3Very high88.1Confident60 Ų6055 Ų5536%0.36427%0.271SS..Hα-helixtrans-59.3-44.2177.5172.90000111.1N11 R12 H13 L17 L18 C19 L146N11-V15 WeakPolarHBondContact O-CG2 3.28Å; N11-V15 PolarHBondContact O-N 2.95Å; R12-V15 PolarHBondContact O-N 3.17Å; H13-V15 PolarHBondContact O-N 3.49Å; V15-L17 VanDerWaalsContact C-N 3.3Å; V15-L17 PolarHBondContact O-N 3.48Å; V15-L18 PolarHBondContact O-N 3.2Å; V15-C19 PolarHBondContact O-N 3.19Å; V15-C19 PolarHBondContact O-SG 3.36Å; V15-C19 VanDerWaalsContact O-SG 3.36Å; V15-L146 HydrophobicContact CG1-CD1 4.25Å; V15-L146 HydrophobicContact CG1-CD2 4.34Å
16L88.9Confident88.8Confident14 Ų1458 Ų587%0.07328%0.276CS..Hα-helixtrans-61.9-36.9177.5-69.6172.5000112.7R12 H13 Q14 C19 F20 F131 F132 M149R12-L16 HydrophobicContact CG-CD1 4.24Å; R12-L16 VanDerWaalsContact O-CG 3.26Å; R12-L16 WeakPolarHBondContact O-CG 3.37Å; R12-L16 PolarHBondContact O-N 3.3Å; H13-L16 WeakPolarHBondContact O-CB 3.26Å; H13-L16 PolarHBondContact O-N 2.95Å; Q14-L16 VanDerWaalsContact C-N 3.32Å; Q14-L16 PolarHBondContact O-N 2.8Å; L16-C19 PolarHBondContact O-N 3.11Å; L16-F20 VanDerWaalsContact O-CB 3.32Å; L16-F20 WeakPolarHBondContact O-CB 3.22Å; L16-F20 PolarHBondContact O-N 2.76Å; L16-F131 HydrophobicContact CB-CE1 4Å; L16-F131 HydrophobicContact CD1-CD1 4.16Å; L16-F131 HydrophobicContact CD1-CE1 3.72Å; L16-F131 HydrophobicContact CD2-CE1 3.73Å; L16-F131 HydrophobicContact CD2-CZ 4.03Å; L16-F131 HydrophobicContact CG-CE1 3.99Å; L16-F132 HydrophobicContact CB-CE1 4.21Å; L16-F132 HydrophobicContact CD1-CD1 4.29Å; L16-F132 HydrophobicContact CD1-CE1 4.2Å; L16-M149 HydrophobicContact CD2-CE 4.39Å; L16-M149 HydrophobicContact CD2-SD 3.52Å; L16-M149 VanDerWaalsContact CD2-SD 3.52Å
17L91.2Very high89.5Confident0 Ų051.8 Ų51.80%025%0.249CC..Hα-helixtrans-68.4-37.3175-66.9173000112.6H13 Q14 V15 F20 L21 L127 F132 Y230 I261 W265 W266H13-L17 WeakPolarHBondContact O-CG 3.34Å; H13-L17 PolarHBondContact O-N 3.46Å; Q14-L17 PolarHBondContact O-N 2.85Å; Q14-L17 VanDerWaalsContact O-N 3.17Å; V15-L17 VanDerWaalsContact C-N 3.3Å; V15-L17 PolarHBondContact O-N 3.48Å; L17-F20 PolarHBondContact O-N 2.92Å; L17-L21 WeakPolarHBondContact O-CB 3.01Å; L17-L21 PolarHBondContact O-N 2.87Å; L17-L127 HydrophobicContact CD2-CD2 4.46Å; L17-F132 HydrophobicContact CD2-CZ 4.07Å; L17-Y230 HydrophobicContact CD1-CE1 3.93Å; L17-Y230 HydrophobicContact CD1-CE2 4.35Å; L17-Y230 WeakPolarHBondContact CD1-OH 3.26Å; L17-Y230 HydrophobicContact CD2-CD1 3.87Å; L17-Y230 HydrophobicContact CD2-CD2 3.65Å; L17-Y230 HydrophobicContact CD2-CE1 3.72Å; L17-Y230 HydrophobicContact CD2-CE2 3.55Å; L17-Y230 HydrophobicContact CD2-CG 3.81Å; L17-Y230 HydrophobicContact CG-CE1 4.5Å; L17-Y230 HydrophobicContact CG-CE2 4.49Å; L17-I261 HydrophobicContact CD1-CD1 3.73Å; L17-I261 HydrophobicContact CD1-CG1 4.11Å; L17-W265 HydrophobicContact CD1-CZ3 4.17Å; L17-W266 HydrophobicContact CB-CE3 4.18Å; L17-W266 HydrophobicContact CB-CH2 4.02Å; L17-W266 HydrophobicContact CB-CZ3 3.69Å; L17-W266 HydrophobicContact CD1-CD2 4.29Å; L17-W266 HydrophobicContact CD1-CE3 4.12Å; L17-W266 HydrophobicContact CD1-CZ3 4.41Å
18L93.5Very high90.1Very high79 Ų7948.1 Ų48.141%0.41423%0.231SC..Hα-helixtrans-64.7-43.3173.5-66.1177.3000111.1Q14 V15 F20 L21 A22 W265 V269Q14-L18 WeakPolarHBondContact O-CG 3.3Å; Q14-L18 PolarHBondContact O-N 3.06Å; V15-L18 PolarHBondContact O-N 3.2Å; L18-F20 VanDerWaalsContact C-N 3.33Å; L18-F20 PolarHBondContact O-N 2.8Å; L18-L21 PolarHBondContact O-N 3.45Å; L18-A22 WeakPolarHBondContact O-CB 3.39Å; L18-A22 PolarHBondContact O-N 3.04Å; L18-W265 HydrophobicContact CD1-CH2 4.47Å; L18-W265 HydrophobicContact CD1-CZ2 4.13Å; L18-W265 HydrophobicContact CD2-CH2 3.99Å; L18-W265 HydrophobicContact CD2-CZ2 4.03Å; L18-W265 HydrophobicContact CG-CH2 3.92Å; L18-W265 HydrophobicContact CG-CZ2 4.03Å; L18-V269 HydrophobicContact CD2-CG1 3.87Å; L18-V269 HydrophobicContact CD2-CG2 4.33Å
19C91.7Very high90.5Very high53 Ų5345.4 Ų45.436%0.35822%0.223SC..Hα-helixtrans-61.7-41.8173.6-66.70000111.6V15 L16 A22 H23V15-C19 PolarHBondContact O-N 3.19Å; V15-C19 PolarHBondContact O-SG 3.36Å; V15-C19 VanDerWaalsContact O-SG 3.36Å; L16-C19 PolarHBondContact O-N 3.11Å; C19-A22 PolarHBondContact O-N 3.47Å; C19-H23 VanDerWaalsContact O-CB 3.25Å; C19-H23 WeakPolarHBondContact O-CB 3.46Å; C19-H23 PolarHBondContact O-N 3.36Å
20F91.1Very high91.1Very high6 Ų643.2 Ų43.23%0.02622%0.216CC..Hα-helixtrans-62.2-46176.8173.9-128.6000112.2L16 L17 L18 H23 G24 V125 L127 F189 L232L16-F20 VanDerWaalsContact O-CB 3.32Å; L16-F20 WeakPolarHBondContact O-CB 3.22Å; L16-F20 PolarHBondContact O-N 2.76Å; L17-F20 PolarHBondContact O-N 2.92Å; L18-F20 VanDerWaalsContact C-N 3.33Å; L18-F20 PolarHBondContact O-N 2.8Å; F20-H23 PolarHBondContact O-N 3.3Å; F20-G24 PolarHBondContact O-N 3.47Å; F20-V125 HydrophobicContact CE2-CB 4.1Å; F20-V125 HydrophobicContact CE2-CG1 3.67Å; F20-V125 HydrophobicContact CZ-CB 4.22Å; F20-V125 HydrophobicContact CZ-CG1 4.18Å; F20-V125 WeakPolarHBondContact CZ-O 3.21Å; F20-L127 HydrophobicContact CB-CD2 4.48Å; F20-L127 HydrophobicContact CD1-CB 4.42Å; F20-L127 HydrophobicContact CD1-CD2 4.15Å; F20-L127 HydrophobicContact CD2-CB 4.48Å; F20-L127 HydrophobicContact CE1-CB 4.03Å; F20-L127 HydrophobicContact CE2-CB 4.09Å; F20-L127 HydrophobicContact CG-CD2 4.17Å; F20-L127 HydrophobicContact CZ-CB 3.85Å; F20-F189 HydrophobicContact CD2-CD1 4.13Å; F20-F189 AromaticContact CD2-CE1 3.52Å; F20-F189 HydrophobicContact CD2-CE1 3.52Å; F20-F189 AromaticContact CE2-CD1 3.85Å; F20-F189 HydrophobicContact CE2-CD1 3.85Å; F20-F189 AromaticContact CE2-CE1 3.71Å; F20-F189 HydrophobicContact CE2-CE1 3.71Å; F20-L232 HydrophobicContact CD1-CD1 3.82Å; F20-L232 HydrophobicContact CD1-CG 4.39Å; F20-L232 HydrophobicContact CE1-CB 4.27Å; F20-L232 HydrophobicContact CE1-CD1 3.65Å; F20-L232 HydrophobicContact CE1-CG 3.73Å; F20-L232 HydrophobicContact CZ-CD1 4.5Å; F20-L232 HydrophobicContact CZ-CG 4.43Å
21L93.9Very high91.5Very high4 Ų440.6 Ų40.62%0.02120%0.204CC..Hα-helixtrans-59.7-50175.1-178.468.7000110.9L17 L18 H23 G24 Q25 L232 F234 A240 V269 L270 F273L17-L21 WeakPolarHBondContact O-CB 3.01Å; L17-L21 PolarHBondContact O-N 2.87Å; L18-L21 PolarHBondContact O-N 3.45Å; L21-H23 VanDerWaalsContact C-N 3.35Å; L21-H23 PolarHBondContact O-N 2.83Å; L21-G24 PolarHBondContact O-N 3Å; L21-Q25 WeakPolarHBondContact O-CG 3.46Å; L21-Q25 PolarHBondContact O-N 2.89Å; L21-L232 HydrophobicContact CB-CD1 4.44Å; L21-L232 HydrophobicContact CD1-CD1 3.8Å; L21-F234 HydrophobicContact CD1-CE1 3.87Å; L21-F234 HydrophobicContact CD1-CZ 4.21Å; L21-A240 HydrophobicContact CD1-CB 3.56Å; L21-V269 HydrophobicContact CD2-CG1 3.98Å; L21-L270 HydrophobicContact CD1-CD2 4.37Å; L21-F273 HydrophobicContact CD2-CD2 3.66Å; L21-F273 HydrophobicContact CD2-CE2 3.43Å; L21-F273 VanDerWaalsContact CD2-CE2 3.43Å; L21-F273 HydrophobicContact CD2-CG 4.41Å; L21-F273 HydrophobicContact CD2-CZ 4Å
22A93.7Very high91.8Very high53 Ų5338.2 Ų38.244%0.43819%0.194SC..Hα-helixtrans-60.4-42.8178.400000112.1L18 C19 Q25 Y26L18-A22 WeakPolarHBondContact O-CB 3.39Å; L18-A22 PolarHBondContact O-N 3.04Å; C19-A22 PolarHBondContact O-N 3.47Å; A22-Q25 PolarHBondContact O-N 3.14Å; A22-Y26 VanDerWaalsContact O-CB 3.28Å; A22-Y26 WeakPolarHBondContact O-CB 3.46Å; A22-Y26 PolarHBondContact O-N 2.9Å
23H90.8Very high92Very high43 Ų4336.5 Ų36.520%0.19919%0.192CC..Hα-helixtrans-61.4-45176.5174.6-79000111.8C19 F20 L21 Y26 S27 R104 Y191C19-H23 VanDerWaalsContact O-CB 3.25Å; C19-H23 WeakPolarHBondContact O-CB 3.46Å; C19-H23 PolarHBondContact O-N 3.36Å; F20-H23 PolarHBondContact O-N 3.3Å; L21-H23 VanDerWaalsContact C-N 3.35Å; L21-H23 PolarHBondContact O-N 2.83Å; H23-Y26 PolarHBondContact O-N 3.47Å; H23-S27 PolarHBondContact CE1-OG 2.98Å; H23-S27 VanDerWaalsContact CE1-OG 3.31Å; H23-S27 WeakPolarHBondContact O-CB 3.16Å; H23-S27 PolarHBondContact O-N 3.37Å; H23-S27 PolarHBondContact O-OG 3.25Å; H23-R104 PolarHBondContact NE2-NH2 3.46Å; H23-Y191 PolarHBondContact CE1-OH 3.39Å
24G92.6Very high92.3Very high0 Ų039 Ų390%022%0.217CC..Hα-helixtrans-65.7-41.8177.900000112.9F20 L21 S27 S28 F234F20-G24 PolarHBondContact O-N 3.47Å; L21-G24 PolarHBondContact O-N 3Å; G24-S27 PolarHBondContact O-N 3.01Å; G24-S28 WeakPolarHBondContact O-CB 3.17Å; G24-S28 PolarHBondContact O-N 3.17Å; G24-F234 VanDerWaalsContact CA-CE2 3.43Å
25Q94Very high92.4Very high32 Ų3242.9 Ų42.915%0.1524%0.239CC..Hα-helixtrans-62.8-44.8173.2-71.2-167.6-54.900112.1L21 A22 S28 K29 F234 H238L21-Q25 WeakPolarHBondContact O-CG 3.46Å; L21-Q25 PolarHBondContact O-N 2.89Å; A22-Q25 PolarHBondContact O-N 3.14Å; Q25-S28 PolarHBondContact O-N 3.23Å; Q25-K29 WeakPolarHBondContact O-CG 3.44Å; Q25-K29 PolarHBondContact O-N 2.85Å; Q25-F234 HydrophobicContact CB-CD1 4.42Å; Q25-F234 HydrophobicContact CB-CE1 4.38Å; Q25-F234 HydrophobicContact CG-CD1 3.68Å; Q25-F234 HydrophobicContact CG-CE1 3.53Å; Q25-H238 PolarHBondContact NE2-O 2.88Å
26Y93.2Very high92.4Very high125 Ų12540.2 Ų40.249%0.4922%0.223SC..Hα-helixtrans-60.4-50.2176.9177.8-107.6000111.2A22 H23 S28 K29 C30 D88A22-Y26 VanDerWaalsContact O-CB 3.28Å; A22-Y26 WeakPolarHBondContact O-CB 3.46Å; A22-Y26 PolarHBondContact O-N 2.9Å; H23-Y26 PolarHBondContact O-N 3.47Å; Y26-S28 VanDerWaalsContact C-N 3.26Å; Y26-S28 PolarHBondContact O-N 3.36Å; Y26-K29 WeakPolarHBondContact O-CA 3.07Å; Y26-K29 WeakPolarHBondContact O-CB 3.28Å; Y26-K29 PolarHBondContact O-N 3.05Å; Y26-C30 VanDerWaalsContact CZ-SG 3.59Å; Y26-C30 PolarHBondContact O-N 2.91Å; Y26-C30 PolarHBondContact O-SG 3.32Å; Y26-D88 HydrophobicContact CE1-CB 4.24Å; Y26-D88 WeakPolarHBondContact CE1-OD2 3.18Å
27S92Very high92.6Very high0 Ų041.6 Ų41.60%023%0.23CC..Hα-helixtrans-56.8-41.5176.5-59.40000111.7H23 G24 C30 C31 R104H23-S27 PolarHBondContact CE1-OG 2.98Å; H23-S27 VanDerWaalsContact CE1-OG 3.31Å; H23-S27 WeakPolarHBondContact O-CB 3.16Å; H23-S27 PolarHBondContact O-N 3.37Å; H23-S27 PolarHBondContact O-OG 3.25Å; G24-S27 PolarHBondContact O-N 3.01Å; S27-C30 PolarHBondContact O-N 3.34Å; S27-C31 PolarHBondContact O-N 3.12Å; S27-C31 PolarHBondContact O-SG 3.45Å; S27-R104 PolarHBondContact OG-NH2 2.92Å
28S94.4Very high92.6Very high0 Ų043.3 Ų43.30%025%0.247CC..Hα-helixtrans-67.3-36.3176.2-179.10000112.8G24 Q25 Y26 C31 S32 R115 D235 H238G24-S28 WeakPolarHBondContact O-CB 3.17Å; G24-S28 PolarHBondContact O-N 3.17Å; Q25-S28 PolarHBondContact O-N 3.23Å; Y26-S28 VanDerWaalsContact C-N 3.26Å; Y26-S28 PolarHBondContact O-N 3.36Å; S28-C31 PolarHBondContact O-N 2.96Å; S28-S32 PolarHBondContact O-N 3.48Å; S28-R115 PolarHBondContact O-NH1 3.3Å; S28-R115 PolarHBondContact OG-NH1 3.5Å; S28-R115 PolarHBondContact OG-NH2 2.88Å; S28-D235 PolarHBondContact OG-O 2.83Å; S28-H238 PolarHBondContact O-CE1 2.84Å; S28-H238 VanDerWaalsContact O-CE1 3.31Å; S28-H238 PolarHBondContact OG-ND1 3.28Å
29K93.9Very high92.6Very high115 Ų11543.2 Ų43.250%0.524%0.244SC..Hα-helixtrans-63.7-44.3174.2-79.1174.6179.1-176.80111.4Q25 Y26 C31 S32 D33 H238Q25-K29 WeakPolarHBondContact O-CG 3.44Å; Q25-K29 PolarHBondContact O-N 2.85Å; Y26-K29 WeakPolarHBondContact O-CA 3.07Å; Y26-K29 WeakPolarHBondContact O-CB 3.28Å; Y26-K29 PolarHBondContact O-N 3.05Å; K29-C31 VanDerWaalsContact C-N 3.26Å; K29-C31 PolarHBondContact O-N 3.39Å; K29-S32 CarbonylContact O-C 3.59Å; K29-S32 WeakPolarHBondContact O-CA 3.17Å; K29-S32 PolarHBondContact O-N 3Å; K29-D33 PolarHBondContact O-N 2.82Å; K29-H238 HydrophobicContact CG-CB 4.31Å; K29-H238 WeakPolarHBondContact CG-CD2 3.39Å
30C92.5Very high92.6Very high19 Ų1940.7 Ų40.713%0.12823%0.227CC..Hα-helixtrans-60.4-37.5177.5-620000111.7Y26 S27 S32 D33 D88 L91Y26-C30 VanDerWaalsContact CZ-SG 3.59Å; Y26-C30 PolarHBondContact O-N 2.91Å; Y26-C30 PolarHBondContact O-SG 3.32Å; S27-C30 PolarHBondContact O-N 3.34Å; C30-S32 PolarHBondContact O-N 3.12Å; C30-D33 PolarHBondContact O-N 3.12Å; C30-D88 HydrophobicContact CB-CB 3.76Å; C30-D88 WeakPolarHBondContact CB-OD1 3.35Å; C30-D88 WeakPolarHBondContact SG-CB 3.45Å; C30-D88 PolarHBondContact SG-OD1 2.99Å; C30-D88 VanDerWaalsContact SG-OD1 3.33Å; C30-L91 HydrophobicContact CB-CD1 4.06Å
31C92.7Very high92.6Very high0 Ų044.2 Ų44.20%025%0.246CC..Hα-helixtrans-64.9-22.4173-70.20000114.5S27 S28 K29 M108 I111 S112S27-C31 PolarHBondContact O-N 3.12Å; S27-C31 PolarHBondContact O-SG 3.45Å; S28-C31 PolarHBondContact O-N 2.96Å; K29-C31 VanDerWaalsContact C-N 3.26Å; K29-C31 PolarHBondContact O-N 3.39Å; C31-M108 VanDerWaalsContact SG-CB 3.58Å; C31-I111 HydrophobicContact CB-CG2 4Å; C31-S112 WeakPolarHBondContact CA-OG 3.36Å; C31-S112 WeakPolarHBondContact O-CA 3.36Å; C31-S112 WeakPolarHBondContact O-CB 3.18Å; C31-S112 PolarHBondContact O-OG 2.87Å
32S92.5Very high92.5Very high29 Ų2948.8 Ų48.820%0.20328%0.278CS..THydrogen-bonded Turntrans-108.19-178.4-66.60000113.7S28 K29 C30 L37 R115 H238S28-S32 PolarHBondContact O-N 3.48Å; K29-S32 CarbonylContact O-C 3.59Å; K29-S32 WeakPolarHBondContact O-CA 3.17Å; K29-S32 PolarHBondContact O-N 3Å; C30-S32 PolarHBondContact O-N 3.12Å; S32-L37 WeakPolarHBondContact O-CD1 2.94Å; S32-R115 VanDerWaalsContact OG-CD 3.3Å; S32-R115 WeakPolarHBondContact OG-CD 3.26Å; S32-R115 PolarHBondContact OG-NH1 3.48Å; S32-H238 PolarHBondContact OG-CE1 3.1Å
33D91.7Very high92.3Very high72 Ų7248.9 Ų48.939%0.38527%0.27SS..  trans-60.7141.4174.5170.160.3000111K29 C30 L35 T36 L37K29-D33 PolarHBondContact O-N 2.82Å; C30-D33 PolarHBondContact O-N 3.12Å; D33-L35 VanDerWaalsContact C-N 3.33Å; D33-L35 PolarHBondContact O-N 3.25Å; D33-L35 WeakPolarHBondContact OD2-CB 3.29Å; D33-L35 PolarHBondContact OD2-N 2.95Å; D33-T36 WeakPolarHBondContact O-CB 3.44Å; D33-T36 PolarHBondContact O-N 3.48Å; D33-T36 VanDerWaalsContact O-N 3.15Å; D33-T36 PolarHBondContact OD2-N 3.38Å; D33-T36 PolarHBondContact OD2-OG1 2.86Å; D33-L37 WeakPolarHBondContact O-CG 3.06Å; D33-L37 PolarHBondContact O-N 2.87Å
34A92.4Very high92.3Very high78 Ų7847.3 Ų47.365%0.64526%0.263SS*.Hα-helixtrans-61.8-39.5-170.500000112.7G38A34-G38 PolarHBondContact O-N 3.31Å
35L92Very high92.3Very high118 Ų11848.8 Ų48.862%0.61827%0.273SS*.Hα-helixtrans-67.9-46.8176.4-66.8174.9000110.2D33 L37 G38 F39D33-L35 VanDerWaalsContact C-N 3.33Å; D33-L35 PolarHBondContact O-N 3.25Å; D33-L35 WeakPolarHBondContact OD2-CB 3.29Å; D33-L35 PolarHBondContact OD2-N 2.95Å; L35-L37 VanDerWaalsContact C-N 3.31Å; L35-L37 PolarHBondContact O-N 3.22Å; L35-G38 PolarHBondContact O-N 3.2Å; L35-G38 VanDerWaalsContact O-N 3.12Å; L35-F39 WeakPolarHBondContact O-CD2 3.26Å; L35-F39 PolarHBondContact O-N 2.77Å
36T91.5Very high92Very high5 Ų551.7 Ų51.73%0.03130%0.295CS..Hα-helixtrans-55-46.4177.5-59.70000111.5D33 A40 L91 F95D33-T36 WeakPolarHBondContact O-CB 3.44Å; D33-T36 PolarHBondContact O-N 3.48Å; D33-T36 VanDerWaalsContact O-N 3.15Å; D33-T36 PolarHBondContact OD2-N 3.38Å; D33-T36 PolarHBondContact OD2-OG1 2.86Å; T36-A40 WeakPolarHBondContact O-CB 3.46Å; T36-A40 PolarHBondContact O-N 3.46Å; T36-L91 HydrophobicContact CG2-CB 3.99Å; T36-L91 HydrophobicContact CG2-CD1 4.05Å; T36-F95 HydrophobicContact CG2-CE2 3.73Å
37L93.2Very high91.7Very high42 Ų4249.7 Ų49.722%0.2230%0.299CS..Hα-helixtrans-65.2-39.7176.8-68.3177000112.5S32 D33 L35 A40 L41 S112 R115 S116S32-L37 WeakPolarHBondContact O-CD1 2.94Å; D33-L37 WeakPolarHBondContact O-CG 3.06Å; D33-L37 PolarHBondContact O-N 2.87Å; L35-L37 VanDerWaalsContact C-N 3.31Å; L35-L37 PolarHBondContact O-N 3.22Å; L37-A40 PolarHBondContact O-N 3.33Å; L37-L41 WeakPolarHBondContact O-CB 3.38Å; L37-L41 PolarHBondContact O-N 2.74Å; L37-S112 WeakPolarHBondContact CD2-O 3.36Å; L37-R115 HydrophobicContact CD2-CB 3.95Å; L37-S116 WeakPolarHBondContact O-CB 3.27Å
38G92.3Very high91.5Very high36 Ų3650 Ų5037%0.37130%0.301SS..Hα-helixtrans-63-46.3176.300000112.9A34 L35 S42A34-G38 PolarHBondContact O-N 3.31Å; L35-G38 PolarHBondContact O-N 3.2Å; L35-G38 VanDerWaalsContact O-N 3.12Å; G38-S42 WeakPolarHBondContact O-CB 3.29Å; G38-S42 PolarHBondContact O-N 2.63Å; G38-S42 VanDerWaalsContact O-N 3.07Å; G38-S42 PolarHBondContact O-OG 3.43Å
39F92Very high91Very high77 Ų7752 Ų5234%0.33832%0.316SS..Hα-helixtrans-63-45.5173.4-78.1-70.4000111.5L35 L41 S42 M43 C92 F95 L96L35-F39 WeakPolarHBondContact O-CD2 3.26Å; L35-F39 PolarHBondContact O-N 2.77Å; F39-L41 PolarHBondContact O-N 3.15Å; F39-S42 PolarHBondContact O-N 3.09Å; F39-M43 WeakPolarHBondContact O-CG 3.15Å; F39-M43 PolarHBondContact O-N 3.32Å; F39-C92 HydrophobicContact CD2-CB 4.01Å; F39-C92 HydrophobicContact CE2-CB 4.26Å; F39-F95 HydrophobicContact CB-CB 4.16Å; F39-F95 HydrophobicContact CB-CD2 4.15Å; F39-F95 HydrophobicContact CB-CG 4.43Å; F39-L96 HydrophobicContact CD1-CD2 4.02Å; F39-L96 HydrophobicContact CD1-CG 4.26Å; F39-L96 HydrophobicContact CE1-CD1 4.23Å; F39-L96 HydrophobicContact CE1-CD2 3.92Å; F39-L96 HydrophobicContact CE1-CG 4.24Å
40A92.5Very high90.4Very high0 Ų053.1 Ų53.10%033%0.327CS..Hα-helixtrans-57.2-47.7178.300000111.6T36 L37 S42 M43 V44 F95 I113T36-A40 WeakPolarHBondContact O-CB 3.46Å; T36-A40 PolarHBondContact O-N 3.46Å; L37-A40 PolarHBondContact O-N 3.33Å; A40-S42 VanDerWaalsContact C-N 3.34Å; A40-S42 PolarHBondContact O-N 3.36Å; A40-M43 PolarHBondContact O-N 2.83Å; A40-V44 WeakPolarHBondContact O-CG2 3.32Å; A40-F95 HydrophobicContact CB-CD1 4.39Å; A40-F95 HydrophobicContact CB-CD2 4.5Å; A40-F95 HydrophobicContact CB-CE1 4.01Å; A40-F95 HydrophobicContact CB-CE2 4.12Å; A40-F95 HydrophobicContact CB-CZ 3.87Å; A40-I113 HydrophobicContact CB-CB 4.49Å; A40-I113 HydrophobicContact CB-CG1 3.78Å
41L91.7Very high89.6Confident81 Ų8153.4 Ų53.442%0.42433%0.329SS..Hα-helixtrans-62-40.9178-173.260.4000112.2L37 F39 M43 V44 S116 L117L37-L41 WeakPolarHBondContact O-CB 3.38Å; L37-L41 PolarHBondContact O-N 2.74Å; F39-L41 PolarHBondContact O-N 3.15Å; L41-M43 PolarHBondContact O-N 3.13Å; L41-V44 PolarHBondContact O-N 2.86Å; L41-V44 VanDerWaalsContact O-N 3.11Å; L41-S116 PolarHBondContact N-OG 3.15Å; L41-L117 HydrophobicContact CD1-CD2 4.04Å
42S91.6Very high88.5Confident99 Ų9962.8 Ų62.869%0.69237%0.373SS*.Hα-helixtrans-63.3-25.7179.5-57.70000113G38 F39 A40G38-S42 WeakPolarHBondContact O-CB 3.29Å; G38-S42 PolarHBondContact O-N 2.63Å; G38-S42 VanDerWaalsContact O-N 3.07Å; G38-S42 PolarHBondContact O-OG 3.43Å; F39-S42 PolarHBondContact O-N 3.09Å; A40-S42 VanDerWaalsContact C-N 3.34Å; A40-S42 PolarHBondContact O-N 3.36Å
43M89.9Confident87.5Confident55 Ų5563 Ų6327%0.27138%0.375SS..Hα-helixtrans-83.6-15.5177.8-64.7-56.2-66.100113.5F39 A40 L41 W66 F95F39-M43 WeakPolarHBondContact O-CG 3.15Å; F39-M43 PolarHBondContact O-N 3.32Å; A40-M43 PolarHBondContact O-N 2.83Å; L41-M43 PolarHBondContact O-N 3.13Å; M43-W66 WeakPolarHBondContact O-CH2 3.36Å; M43-W66 WeakPolarHBondContact O-CZ2 3.46Å; M43-F95 WeakPolarHBondContact CE-O 3.36Å; M43-F95 HydrophobicContact CG-CB 4.05Å; M43-F95 VanDerWaalsContact SD-O 3.39Å
44V90.7Very high86.5Confident10 Ų1065 Ų656%0.06140%0.395CS..SBendtrans-76129.6-178-175.30000110.2A40 L41 I48 A49 I113 L117A40-V44 WeakPolarHBondContact O-CG2 3.32Å; L41-V44 PolarHBondContact O-N 2.86Å; L41-V44 VanDerWaalsContact O-N 3.11Å; V44-I48 HydrophobicContact CG1-CB 3.89Å; V44-I48 HydrophobicContact CG1-CG2 4.07Å; V44-A49 HydrophobicContact CB-CB 4.45Å; V44-A49 HydrophobicContact CG1-CB 4.05Å; V44-I113 HydrophobicContact CG2-CG2 3.5Å; V44-L117 HydrophobicContact CG1-CD1 4.41Å; V44-L117 HydrophobicContact CG1-CD2 4.31Å
45P91.1Very high86Confident31 Ų3168 Ų6820%0.20140%0.395CS..  trans-57.8139.2175.1-25.233.3000111.8S47 I48 A49 W66P45-S47 PolarHBondContact O-N 3.2Å; P45-I48 HydrophobicContact CG-CD1 4.33Å; P45-I48 PolarHBondContact O-N 3.41Å; P45-A49 PolarHBondContact O-N 3.47Å; P45-W66 HydrophobicContact CG-CD2 4.11Å; P45-W66 HydrophobicContact CG-CG 4.12Å; P45-W66 HydrophobicContact CG-CZ2 4.18Å; P45-W66 VanDerWaalsContact CG-NE1 3.26Å
46P88.2Confident85.8Confident94 Ų9466 Ų6661%0.6138%0.382SS*.Hα-helixtrans-54.1-31.9177.4-28.134.8000113.4I48 A49 L50P46-I48 PolarHBondContact O-N 3Å; P46-I48 VanDerWaalsContact O-N 3.17Å; P46-A49 PolarHBondContact O-N 3.06Å; P46-L50 HydrophobicContact CB-CD1 4.34Å; P46-L50 WeakPolarHBondContact O-CB 3.07Å; P46-L50 PolarHBondContact O-N 3.33Å
47S86.9Confident85.7Confident82 Ų8268.8 Ų68.857%0.57340%0.395SS*.Hα-helixtrans-62.5-20.7176.861.40000114.6P45 R62P45-S47 PolarHBondContact O-N 3.2Å; S47-R62 PolarHBondContact O-NH1 2.93Å
48I87.8Confident85.6Confident8 Ų868.5 Ų68.54%0.04140%0.399CS..Hα-helixtrans-99.8-47.1176.2-56.5179.7000109.2V44 P45 P46 S51 I59 R62 L63 W66 L117V44-I48 HydrophobicContact CG1-CB 3.89Å; V44-I48 HydrophobicContact CG1-CG2 4.07Å; P45-I48 HydrophobicContact CG-CD1 4.33Å; P45-I48 PolarHBondContact O-N 3.41Å; P46-I48 PolarHBondContact O-N 3Å; P46-I48 VanDerWaalsContact O-N 3.17Å; I48-S51 WeakPolarHBondContact O-CB 3.39Å; I48-S51 PolarHBondContact O-N 3.28Å; I48-I59 HydrophobicContact CG2-CG2 4.31Å; I48-R62 HydrophobicContact CD1-CB 4.33Å; I48-R62 HydrophobicContact CG1-CB 4.21Å; I48-L63 HydrophobicContact CG2-CB 4.29Å; I48-L63 HydrophobicContact CG2-CD1 4.34Å; I48-W66 HydrophobicContact CD1-CB 3.69Å; I48-W66 HydrophobicContact CD1-CD2 4.31Å; I48-W66 HydrophobicContact CD1-CG 3.95Å; I48-L117 HydrophobicContact CG2-CD1 4.39Å
49A84.1Confident85.5Confident40 Ų4068.6 Ų68.633%0.33139%0.391SS..Hα-helixtrans-66.5-37.8-176.400000113.6V44 P45 P46 L117V44-A49 HydrophobicContact CB-CB 4.45Å; V44-A49 HydrophobicContact CG1-CB 4.05Å; P45-A49 PolarHBondContact O-N 3.47Å; P46-A49 PolarHBondContact O-N 3.06Å; A49-L117 HydrophobicContact CB-CD2 4.13Å
50L80.5Confident85.6Confident140 Ų14065 Ų6573%0.73337%0.374SS*.THydrogen-bonded Turntrans-104.723.1-179.4-57.5175.2000112.1P46 E52P46-L50 HydrophobicContact CB-CD1 4.34Å; P46-L50 WeakPolarHBondContact O-CB 3.07Å; P46-L50 PolarHBondContact O-N 3.33Å; L50-E52 PolarHBondContact O-N 2.92Å; L50-E52 VanDerWaalsContact O-N 3.17Å
51S77.3Confident85.6Confident24 Ų2466.8 Ų66.817%0.16838%0.384CS..  trans-61.1121.2-175.71680000111.6I48 S53 R62I48-S51 WeakPolarHBondContact O-CB 3.39Å; I48-S51 PolarHBondContact O-N 3.28Å; S51-S53 PolarHBondContact O-N 3.25Å; S51-S53 VanDerWaalsContact O-N 3.15Å; S51-S53 PolarHBondContact OG-N 2.86Å; S51-S53 PolarHBondContact OG-OG 3.44Å; S51-R62 PolarHBondContact OG-NH1 3.37Å; S51-R62 PolarHBondContact OG-NH2 3.12Å
52E68.2Low85.7Confident198 Ų19867.1 Ų67.193%0.92538%0.38SS*.  trans-65.8-13.1174.8-61.7-179.9175.500113.9L50 S54L50-E52 PolarHBondContact O-N 2.92Å; L50-E52 VanDerWaalsContact O-N 3.17Å; E52-S54 PolarHBondContact O-N 3.12Å; E52-S54 VanDerWaalsContact O-N 3.13Å
53S71.1Confident85.8Confident33 Ų3362.4 Ų62.423%0.23135%0.347CS..  trans-64.8116.218070.50000111.2S51 H55 I59 R62S51-S53 PolarHBondContact O-N 3.25Å; S51-S53 VanDerWaalsContact O-N 3.15Å; S51-S53 PolarHBondContact OG-N 2.86Å; S51-S53 PolarHBondContact OG-OG 3.44Å; S53-H55 PolarHBondContact O-N 3.18Å; S53-I59 WeakPolarHBondContact OG-CG1 3.13Å; S53-R62 PolarHBondContact OG-NH2 3.35Å
54S71.8Confident86Confident115 Ų11559.8 Ų59.880%0.80433%0.334SS*.  trans-63.9-19.1172.7-176.10000113E52 E56E52-S54 PolarHBondContact O-N 3.12Å; E52-S54 VanDerWaalsContact O-N 3.13Å; S54-E56 PolarHBondContact O-N 3.27Å
55H81.8Confident86.1Confident141 Ų14166.2 Ų66.265%0.65336%0.357SS*.  trans-82.8108.9-177.8-58.1-63.6000112.7S53 Q57 A58 I59S53-H55 PolarHBondContact O-N 3.18Å; H55-Q57 PolarHBondContact O-N 2.8Å; H55-Q57 VanDerWaalsContact O-N 3.08Å; H55-A58 HydrophobicContact CB-CB 4.37Å; H55-A58 WeakPolarHBondContact O-CB 3Å; H55-A58 PolarHBondContact O-N 2.76Å; H55-I59 PolarHBondContact O-N 2.98Å
56E87.4Confident86.3Confident74 Ų7467.2 Ų67.235%0.34636%0.357SS..Hα-helixtrans-46.6-39.6174.7-64.1174.9160.700112.9S54 A58 I59 L60 L197 S198S54-E56 PolarHBondContact O-N 3.27Å; E56-A58 VanDerWaalsContact C-N 3.34Å; E56-A58 PolarHBondContact O-N 2.65Å; E56-I59 PolarHBondContact O-N 2.87Å; E56-L60 PolarHBondContact O-N 3.49Å; E56-L197 HydrophobicContact CB-CD2 4.39Å; E56-S198 WeakPolarHBondContact OE1-CB 3.36Å; E56-S198 PolarHBondContact OE1-OG 3.34Å; E56-S198 PolarHBondContact OE2-N 3.05Å; E56-S198 PolarHBondContact OE2-OG 2.89Å
57Q90.3Very high86.5Confident64 Ų6462.7 Ų62.730%0.29933%0.328SS..Hα-helixtrans-64.3-35.8-178.7-62.5179.326.100113H55 I59 N61 L197 S199 Q200H55-Q57 PolarHBondContact O-N 2.8Å; H55-Q57 VanDerWaalsContact O-N 3.08Å; Q57-I59 VanDerWaalsContact C-N 3.33Å; Q57-N61 VanDerWaalsContact O-CB 3.29Å; Q57-N61 WeakPolarHBondContact O-CB 3.23Å; Q57-N61 PolarHBondContact O-N 3.26Å; Q57-N61 PolarHBondContact O-ND2 2.89Å; Q57-L197 HydrophobicContact CG-CD1 4.02Å; Q57-L197 HydrophobicContact CG-CD2 4.29Å; Q57-S199 PolarHBondContact NE2-OG 3.46Å; Q57-S199 VanDerWaalsContact NE2-OG 3.12Å; Q57-Q200 VanDerWaalsContact NE2-NE2 3.16Å
58A90.4Very high86.7Confident37 Ų3761.9 Ų61.931%0.30631%0.312SS..Hα-helixtrans-70.8-34.2178.900000111.2H55 E56 R62H55-A58 HydrophobicContact CB-CB 4.37Å; H55-A58 WeakPolarHBondContact O-CB 3Å; H55-A58 PolarHBondContact O-N 2.76Å; E56-A58 VanDerWaalsContact C-N 3.34Å; E56-A58 PolarHBondContact O-N 2.65Å; A58-R62 PolarHBondContact O-N 3.39Å; A58-R62 PolarHBondContact O-NE 2.94Å; A58-R62 VanDerWaalsContact O-NE 3.12Å
59I90.8Very high86.8Confident38 Ų3870.4 Ų70.420%0.19535%0.349CS..Hα-helixtrans-67.8-50.8173.8-60174.4000109.4I48 S53 H55 E56 Q57 N61 R62 L63I48-I59 HydrophobicContact CG2-CG2 4.31Å; S53-I59 WeakPolarHBondContact OG-CG1 3.13Å; H55-I59 PolarHBondContact O-N 2.98Å; E56-I59 PolarHBondContact O-N 2.87Å; Q57-I59 VanDerWaalsContact C-N 3.33Å; I59-N61 VanDerWaalsContact C-N 3.34Å; I59-N61 PolarHBondContact O-N 3.01Å; I59-R62 PolarHBondContact O-N 3.27Å; I59-L63 WeakPolarHBondContact O-CB 3.29Å; I59-L63 PolarHBondContact O-N 3.12Å
60L93.6Very high87Confident0 Ų073.2 Ų73.20%035%0.354CS..Hα-helixtrans-56-46.3178.3-178.660.7000112.4E56 R62 L63 I64 F110 M119 V195 L197 Y215E56-L60 PolarHBondContact O-N 3.49Å; L60-R62 PolarHBondContact O-N 3.13Å; L60-L63 PolarHBondContact O-N 3.15Å; L60-I64 HydrophobicContact CD1-CD1 3.67Å; L60-I64 HydrophobicContact CD1-CG1 3.98Å; L60-I64 HydrophobicContact CD2-CD1 4.46Å; L60-I64 HydrophobicContact CG-CD1 3.72Å; L60-I64 HydrophobicContact CG-CG1 4.41Å; L60-I64 WeakPolarHBondContact O-CG1 3.29Å; L60-I64 PolarHBondContact O-N 3.17Å; L60-F110 HydrophobicContact CD1-CZ 4.45Å; L60-M119 HydrophobicContact CB-CE 4.04Å; L60-M119 HydrophobicContact CD1-CE 3.99Å; L60-M119 HydrophobicContact CG-CE 4.48Å; L60-V195 HydrophobicContact CD1-CG1 4.19Å; L60-V195 HydrophobicContact CD1-CG2 4.37Å; L60-V195 HydrophobicContact CD2-CG1 3.6Å; L60-V195 HydrophobicContact CD2-CG2 4.43Å; L60-L197 HydrophobicContact CD2-CD1 4.49Å; L60-L197 HydrophobicContact CD2-CD2 3.98Å; L60-Y215 HydrophobicContact CD2-CD1 3.66Å; L60-Y215 HydrophobicContact CD2-CD2 4.21Å; L60-Y215 HydrophobicContact CD2-CE1 3.74Å; L60-Y215 HydrophobicContact CD2-CE2 4.3Å; L60-Y215 HydrophobicContact CD2-CG 3.91Å; L60-Y215 HydrophobicContact CG-CD1 4.07Å; L60-Y215 HydrophobicContact CG-CE1 4.11Å
61N92.9Very high87.3Confident38 Ų3866.6 Ų66.620%0.20332%0.319CS..Hα-helixtrans-60.8-42.3178.7-87.2-51.4000112.9Q57 I59 R65 L214 Y215Q57-N61 VanDerWaalsContact O-CB 3.29Å; Q57-N61 WeakPolarHBondContact O-CB 3.23Å; Q57-N61 PolarHBondContact O-N 3.26Å; Q57-N61 PolarHBondContact O-ND2 2.89Å; I59-N61 VanDerWaalsContact C-N 3.34Å; I59-N61 PolarHBondContact O-N 3.01Å; N61-R65 VanDerWaalsContact O-CG 3.31Å; N61-R65 WeakPolarHBondContact O-CG 3.47Å; N61-R65 PolarHBondContact O-N 3.17Å; N61-R65 PolarHBondContact O-NH1 3.22Å; N61-L214 WeakPolarHBondContact OD1-CD1 3.32Å; N61-Y215 PolarHBondContact ND2-OH 3.46Å; N61-Y215 WeakPolarHBondContact OD1-CE1 3.49Å
62R92.7Very high87.5Confident88 Ų8869.4 Ų69.433%0.33234%0.339SS..Hα-helixtrans-68.1-42.3175.5-79.2180-76179.5-7.5111.2S47 I48 S51 S53 A58 I59 L60 R65 W66S47-R62 PolarHBondContact O-NH1 2.93Å; I48-R62 HydrophobicContact CD1-CB 4.33Å; I48-R62 HydrophobicContact CG1-CB 4.21Å; S51-R62 PolarHBondContact OG-NH1 3.37Å; S51-R62 PolarHBondContact OG-NH2 3.12Å; S53-R62 PolarHBondContact OG-NH2 3.35Å; A58-R62 PolarHBondContact O-N 3.39Å; A58-R62 PolarHBondContact O-NE 2.94Å; A58-R62 VanDerWaalsContact O-NE 3.12Å; I59-R62 PolarHBondContact O-N 3.27Å; L60-R62 PolarHBondContact O-N 3.13Å; R62-R65 PolarHBondContact O-N 2.88Å; R62-W66 WeakPolarHBondContact O-CB 3.3Å; R62-W66 PolarHBondContact O-N 3.22Å
63L94.2Very high88.1Confident0 Ų061 Ų610%030%0.3CS..Hα-helixtrans-59-52.3179.2-178.864.6000111.8I48 I59 L60 R65 W66 F67 F110 I113 A114 L117 M119I48-L63 HydrophobicContact CG2-CB 4.29Å; I48-L63 HydrophobicContact CG2-CD1 4.34Å; I59-L63 WeakPolarHBondContact O-CB 3.29Å; I59-L63 PolarHBondContact O-N 3.12Å; L60-L63 PolarHBondContact O-N 3.15Å; L63-R65 PolarHBondContact O-N 3.4Å; L63-W66 HydrophobicContact CD1-CE3 4.05Å; L63-W66 HydrophobicContact CD1-CZ3 4.2Å; L63-W66 PolarHBondContact O-N 3.25Å; L63-F67 VanDerWaalsContact O-CB 3.22Å; L63-F67 WeakPolarHBondContact O-CB 3.26Å; L63-F67 PolarHBondContact O-N 2.89Å; L63-F110 HydrophobicContact CD2-CE2 4.2Å; L63-F110 HydrophobicContact CD2-CZ 4.33Å; L63-F110 HydrophobicContact CG-CE2 4.2Å; L63-I113 HydrophobicContact CD1-CG2 3.72Å; L63-A114 HydrophobicContact CD2-CB 4.14Å; L63-L117 HydrophobicContact CD1-CD1 3.98Å; L63-L117 HydrophobicContact CD2-CD1 3.96Å; L63-M119 HydrophobicContact CD2-SD 4.09Å
64I94.3Very high88.1Confident0 Ų062.3 Ų62.30%031%0.308CS..Hα-helixtrans-62.9-44.9-178.2-61.6162.5000110.7L60 W66 F67 R68 F110 V206 L214 Y215L60-I64 HydrophobicContact CD1-CD1 3.67Å; L60-I64 HydrophobicContact CD1-CG1 3.98Å; L60-I64 HydrophobicContact CD2-CD1 4.46Å; L60-I64 HydrophobicContact CG-CD1 3.72Å; L60-I64 HydrophobicContact CG-CG1 4.41Å; L60-I64 WeakPolarHBondContact O-CG1 3.29Å; L60-I64 PolarHBondContact O-N 3.17Å; I64-W66 PolarHBondContact O-N 3.49Å; I64-F67 PolarHBondContact O-N 3.43Å; I64-R68 HydrophobicContact CG2-CG 4.19Å; I64-R68 WeakPolarHBondContact O-CB 3.3Å; I64-R68 VanDerWaalsContact O-CG 3.28Å; I64-R68 WeakPolarHBondContact O-CG 3.35Å; I64-R68 PolarHBondContact O-N 3.45Å; I64-F110 HydrophobicContact CG1-CE2 3.94Å; I64-F110 HydrophobicContact CG1-CZ 3.98Å; I64-V206 HydrophobicContact CD1-CG1 3.73Å; I64-V206 HydrophobicContact CG1-CG1 3.86Å; I64-L214 HydrophobicContact CD1-CB 4.03Å; I64-L214 HydrophobicContact CG2-CB 4.18Å; I64-L214 HydrophobicContact CG2-CD2 3.84Å; I64-L214 HydrophobicContact CG2-CG 4.46Å; I64-Y215 HydrophobicContact CD1-CD1 3.74Å
65R93.3Very high87.9Confident146 Ų14660.5 Ų60.555%0.55130%0.299SS*.Hα-helixtrans-61.9-44.4179.3-71.2-175.1-165108.10.8112.1N61 R62 L63 K69 L214N61-R65 VanDerWaalsContact O-CG 3.31Å; N61-R65 WeakPolarHBondContact O-CG 3.47Å; N61-R65 PolarHBondContact O-N 3.17Å; N61-R65 PolarHBondContact O-NH1 3.22Å; R62-R65 PolarHBondContact O-N 2.88Å; L63-R65 PolarHBondContact O-N 3.4Å; R65-K69 PolarHBondContact O-N 3.4Å; R65-L214 HydrophobicContact CG-CD1 3.77Å; R65-L214 HydrophobicContact CG-CD2 4.39Å
66W93.7Very high86.8Confident51 Ų5157.4 Ų57.419%0.19329%0.293CS..Hα-helixtrans-63.1-47175.5167.579.3000111.3M43 P45 I48 R62 L63 I64 R68 K69 K70 Y71 I113M43-W66 WeakPolarHBondContact O-CH2 3.36Å; M43-W66 WeakPolarHBondContact O-CZ2 3.46Å; P45-W66 HydrophobicContact CG-CD2 4.11Å; P45-W66 HydrophobicContact CG-CG 4.12Å; P45-W66 HydrophobicContact CG-CZ2 4.18Å; P45-W66 VanDerWaalsContact CG-NE1 3.26Å; I48-W66 HydrophobicContact CD1-CB 3.69Å; I48-W66 HydrophobicContact CD1-CD2 4.31Å; I48-W66 HydrophobicContact CD1-CG 3.95Å; R62-W66 WeakPolarHBondContact O-CB 3.3Å; R62-W66 PolarHBondContact O-N 3.22Å; L63-W66 HydrophobicContact CD1-CE3 4.05Å; L63-W66 HydrophobicContact CD1-CZ3 4.2Å; L63-W66 PolarHBondContact O-N 3.25Å; I64-W66 PolarHBondContact O-N 3.49Å; W66-R68 PolarHBondContact O-N 3.11Å; W66-K69 PolarHBondContact O-N 3.06Å; W66-K69 VanDerWaalsContact O-N 3.15Å; W66-K70 HydrophobicContact CZ2-CB 4.41Å; W66-K70 HydrophobicContact CZ2-CG 4.22Å; W66-K70 PolarHBondContact O-N 2.85Å; W66-Y71 HydrophobicContact CH2-CE2 4.31Å; W66-I113 HydrophobicContact CH2-CD1 4.18Å; W66-I113 HydrophobicContact CZ3-CD1 4.05Å; W66-I113 HydrophobicContact CZ3-CG2 4.34Å
67F93.7Very high85.4Confident0 Ų056.2 Ų56.20%029%0.289CS..Hα-helixtrans-60.8-46.8-177.9-176-89000111.6L63 I64 K69 K70 Y71 Q106 A109 F110 I113 L208L63-F67 VanDerWaalsContact O-CB 3.22Å; L63-F67 WeakPolarHBondContact O-CB 3.26Å; L63-F67 PolarHBondContact O-N 2.89Å; I64-F67 PolarHBondContact O-N 3.43Å; F67-K69 PolarHBondContact O-N 3.07Å; F67-K70 PolarHBondContact O-N 2.92Å; F67-K70 VanDerWaalsContact O-N 3.13Å; F67-Y71 AromaticContact CD2-CD2 3.5Å; F67-Y71 HydrophobicContact CD2-CD2 3.5Å; F67-Y71 HydrophobicContact CD2-CE2 4.04Å; F67-Y71 HydrophobicContact CD2-CG 4.39Å; F67-Y71 AromaticContact CE2-CD2 3.32Å; F67-Y71 HydrophobicContact CE2-CD2 3.32Å; F67-Y71 AromaticContact CE2-CE2 3.87Å; F67-Y71 HydrophobicContact CE2-CE2 3.87Å; F67-Y71 AromaticContact CE2-CG 3.87Å; F67-Y71 HydrophobicContact CE2-CG 3.87Å; F67-Y71 HydrophobicContact CG-CD2 4.21Å; F67-Y71 AromaticContact CZ-CD2 3.9Å; F67-Y71 HydrophobicContact CZ-CD2 3.9Å; F67-Y71 AromaticContact CZ-CG 3.99Å; F67-Y71 HydrophobicContact CZ-CG 3.99Å; F67-Y71 PolarHBondContact O-N 2.77Å; F67-Q106 HydrophobicContact CE1-CG 3.68Å; F67-Q106 HydrophobicContact CZ-CG 4.06Å; F67-Q106 VanDerWaalsContact CZ-O 3.26Å; F67-Q106 WeakPolarHBondContact CZ-O 3.23Å; F67-A109 HydrophobicContact CE2-CB 4.29Å; F67-A109 HydrophobicContact CZ-CB 4.23Å; F67-F110 HydrophobicContact CB-CD2 4.18Å; F67-F110 HydrophobicContact CD1-CB 4.31Å; F67-F110 AromaticContact CD1-CD2 3.84Å; F67-F110 HydrophobicContact CD1-CD2 3.84Å; F67-F110 HydrophobicContact CD2-CB 4.34Å; F67-F110 AromaticContact CD2-CD2 3.99Å; F67-F110 HydrophobicContact CD2-CD2 3.99Å; F67-F110 HydrophobicContact CE1-CB 3.85Å; F67-F110 HydrophobicContact CE1-CD2 4.24Å; F67-F110 HydrophobicContact CE2-CB 3.88Å; F67-F110 HydrophobicContact CE2-CD2 4.38Å; F67-F110 AromaticContact CG-CD2 3.71Å; F67-F110 HydrophobicContact CG-CD2 3.71Å; F67-F110 HydrophobicContact CZ-CB 3.63Å; F67-I113 HydrophobicContact CD2-CD1 3.84Å; F67-I113 HydrophobicContact CE2-CD1 3.81Å; F67-L208 HydrophobicContact CD1-CD2 4Å; F67-L208 HydrophobicContact CE1-CD1 4.3Å; F67-L208 HydrophobicContact CE1-CD2 4.21Å
68R91.4Very high83.9Confident65 Ų6558.4 Ų58.425%0.24530%0.303CS..Hα-helixtrans-59.1-33.3177.1-72.1-177.467.5168.14.9113.2I64 W66 L208 Y209 S210I64-R68 HydrophobicContact CG2-CG 4.19Å; I64-R68 WeakPolarHBondContact O-CB 3.3Å; I64-R68 VanDerWaalsContact O-CG 3.28Å; I64-R68 WeakPolarHBondContact O-CG 3.35Å; I64-R68 PolarHBondContact O-N 3.45Å; W66-R68 PolarHBondContact O-N 3.11Å; R68-L208 WeakPolarHBondContact CG-O 3.07Å; R68-Y209 PolarHBondContact NH2-O 3.43Å; R68-Y209 VanDerWaalsContact NH2-O 3.11Å; R68-S210 PolarHBondContact NH1-O 3.18Å; R68-S210 VanDerWaalsContact NH2-C 3.34Å; R68-S210 PolarHBondContact NH2-O 2.84Å
69K89.5Confident81.6Confident187 Ų18763.8 Ų63.881%0.81333%0.326SS*.Hα-helixtrans-75.8-38.9176.6-173.6179.5179.6-1790111.9R65 W66 F67R65-K69 PolarHBondContact O-N 3.4Å; W66-K69 PolarHBondContact O-N 3.06Å; W66-K69 VanDerWaalsContact O-N 3.15Å; F67-K69 PolarHBondContact O-N 3.07Å
70K88.7Confident79.3Confident99 Ų9967.3 Ų67.343%0.4334%0.344SS..Hα-helixtrans-79.4-44.8-175.7-177.162.5176.5176.80112.5W66 F67W66-K70 HydrophobicContact CZ2-CB 4.41Å; W66-K70 HydrophobicContact CZ2-CG 4.22Å; W66-K70 PolarHBondContact O-N 2.85Å; F67-K70 PolarHBondContact O-N 2.92Å; F67-K70 VanDerWaalsContact O-N 3.13Å
71Y86.6Confident77Confident0 Ų070.6 Ų70.60%036%0.361CS..SBendtrans-111.767-174.9-65-80.9000110.5W66 F67 V100 Q106 I113W66-Y71 HydrophobicContact CH2-CE2 4.31Å; F67-Y71 AromaticContact CD2-CD2 3.5Å; F67-Y71 HydrophobicContact CD2-CD2 3.5Å; F67-Y71 HydrophobicContact CD2-CE2 4.04Å; F67-Y71 HydrophobicContact CD2-CG 4.39Å; F67-Y71 AromaticContact CE2-CD2 3.32Å; F67-Y71 HydrophobicContact CE2-CD2 3.32Å; F67-Y71 AromaticContact CE2-CE2 3.87Å; F67-Y71 HydrophobicContact CE2-CE2 3.87Å; F67-Y71 AromaticContact CE2-CG 3.87Å; F67-Y71 HydrophobicContact CE2-CG 3.87Å; F67-Y71 HydrophobicContact CG-CD2 4.21Å; F67-Y71 AromaticContact CZ-CD2 3.9Å; F67-Y71 HydrophobicContact CZ-CD2 3.9Å; F67-Y71 AromaticContact CZ-CG 3.99Å; F67-Y71 HydrophobicContact CZ-CG 3.99Å; F67-Y71 PolarHBondContact O-N 2.77Å; Y71-V100 HydrophobicContact CD1-CG1 3.81Å; Y71-Q106 PolarHBondContact O-NE2 2.99Å; Y71-I113 HydrophobicContact CE2-CD1 3.99Å
72S81.9Confident74.5Confident84 Ų8471.7 Ų71.759%0.58737%0.372SS*.PPolyproline II helixtrans-87.1136.6173.6-169.80000110.1
73I79.6Confident72.5Confident22 Ų2272.8 Ų72.811%0.11338%0.38CS..PPolyproline II helixtrans-82.4124175.9-59.7170.3000107.8A75 N77 L78 V100 Q103 Q106I73-A75 PolarHBondContact O-N 3.22Å; I73-N77 HydrophobicContact CG2-CB 4.19Å; I73-L78 HydrophobicContact CG2-CD2 4.12Å; I73-L78 HydrophobicContact CG2-CG 4.15Å; I73-V100 HydrophobicContact CG1-CG2 4.04Å; I73-Q103 HydrophobicContact CD1-CB 4.49Å; I73-Q106 HydrophobicContact CD1-CB 4.13Å; I73-Q106 HydrophobicContact CG1-CB 4.44Å
74P71.6Confident70.3Confident60 Ų6074.2 Ų74.239%0.3939%0.39SS..PPolyproline II helixtrans-57.9136.6173.1-22.533.1000110.8S76 N77P74-S76 PolarHBondContact O-N 2.81Å; P74-N77 PolarHBondContact O-N 3.09Å
75A67.4Low68.4Low76 Ų7675 Ų7563%0.62840%0.396SS*.G310 helixtrans-56.9-28.6-17600000113.7I73 N77 L78I73-A75 PolarHBondContact O-N 3.22Å; A75-N77 VanDerWaalsContact C-N 3.27Å; A75-N77 PolarHBondContact O-N 3.43Å; A75-L78 PolarHBondContact O-N 3.07Å
76S58.2Low66.9Low76 Ų7671.1 Ų71.153%0.53139%0.386SS..G310 helixtrans-61.5-31.1175.556.30000113.6P74P74-S76 PolarHBondContact O-N 2.81Å
77N59.6Low65.3Low49 Ų4968.8 Ų68.826%0.26238%0.378SS..G310 helixtrans-89.6-12.8-176.5-63.4-6.1000112.8I73 P74 A75 L79 I80 S101I73-N77 HydrophobicContact CG2-CB 4.19Å; P74-N77 PolarHBondContact O-N 3.09Å; A75-N77 VanDerWaalsContact C-N 3.27Å; A75-N77 PolarHBondContact O-N 3.43Å; N77-L79 PolarHBondContact O-N 2.52Å; N77-I80 PolarHBondContact O-N 3.5Å; N77-S101 WeakPolarHBondContact CB-O 3.47Å
78L56.8Low64Low111 Ų11170 Ų7058%0.58138%0.384SS*.THydrogen-bonded Turntrans-66.4-24.4173.4-69.8166.5000112I73 A75I73-L78 HydrophobicContact CG2-CD2 4.12Å; I73-L78 HydrophobicContact CG2-CG 4.15Å; A75-L78 PolarHBondContact O-N 3.07Å
79L43.4Very low63Low150 Ų15073.7 Ų73.779%0.78540%0.404SS*.THydrogen-bonded Turntrans-92.3-23.9179-66.6168.8000112.9N77 N81N77-L79 PolarHBondContact O-N 2.52Å; L79-N81 PolarHBondContact O-N 3.41Å
80I41.9Very low62.4Low111 Ų11169.1 Ų69.157%0.56938%0.384SS*.  trans-97.387176.8-52.9174.2000107.2N77 S82N77-I80 PolarHBondContact O-N 3.5Å; I80-S82 PolarHBondContact O-N 3.25Å
81N45.7Very low62.1Low70 Ų7064.4 Ų64.437%0.37436%0.363SS..  trans-67.480.6164.6-80.3-38.1000108.7L79 H83 T187L79-N81 PolarHBondContact O-N 3.41Å; N81-H83 PolarHBondContact O-CD2 3.43Å; N81-H83 VanDerWaalsContact O-CD2 3.29Å; N81-H83 PolarHBondContact O-N 2.86Å; N81-T187 HydrophobicContact CB-CG2 4.13Å; N81-T187 VanDerWaalsContact CG-CG2 3.42Å; N81-T187 WeakPolarHBondContact ND2-CG2 3.46Å
82S41.3Very low62Low60 Ų6065.8 Ų65.842%0.4237%0.373SS..  trans-6480.8168.7158.80000108I80I80-S82 PolarHBondContact O-N 3.25Å
83H49.6Very low62.1Low111 Ų11164.9 Ų64.951%0.51437%0.365SS..  trans-64.9136.3164.1-68.2-64.9000108.3N81N81-H83 PolarHBondContact O-CD2 3.43Å; N81-H83 VanDerWaalsContact O-CD2 3.29Å; N81-H83 PolarHBondContact O-N 2.86Å
84C48.4Very low62.3Low30 Ų3064.3 Ų64.320%0.20336%0.362CS..  trans78.776.5170.8-155.70000115.8K152 V153 C156C84-K152 WeakPolarHBondContact CB-O 3.42Å; C84-K152 PolarHBondContact SG-O 2.85Å; C84-V153 PolarHBondContact SG-O 3.46Å; C84-C156 PolarHBondContact O-SG 2.81Å
85S54Low63Low18 Ų1861.5 Ų61.513%0.12634%0.344CS..  trans-132.4149.4144.473.10000109.1T87 K90S85-T87 PolarHBondContact O-N 3.33Å; S85-T87 PolarHBondContact O-OG1 3.36Å; S85-K90 PolarHBondContact OG-NZ 3.19Å
86N62.3Low63.7Low63 Ų6363.4 Ų63.434%0.33734%0.343SS..  trans-57.180.3172.6-74.1-9.2000109D88 E89 K90N86-D88 PolarHBondContact O-N 3.14Å; N86-D88 VanDerWaalsContact O-N 3.15Å; N86-E89 HydrophobicContact CB-CB 4.09Å; N86-E89 HydrophobicContact CB-CG 4.02Å; N86-E89 WeakPolarHBondContact CB-OE2 3.2Å; N86-E89 PolarHBondContact ND2-OE2 3.3Å; N86-E89 PolarHBondContact O-N 2.79Å; N86-E89 VanDerWaalsContact O-N 3.12Å; N86-K90 PolarHBondContact O-N 3.21Å
87T60.3Low65Low3 Ų364.3 Ų64.32%0.01835%0.345CS..Hα-helixtrans-60.6-31.5-172.9-53.50000109.2S85 K90 L91 M94 E105 M108S85-T87 PolarHBondContact O-N 3.33Å; S85-T87 PolarHBondContact O-OG1 3.36Å; T87-K90 PolarHBondContact O-N 3.32Å; T87-K90 VanDerWaalsContact O-N 3.12Å; T87-L91 PolarHBondContact O-N 3.34Å; T87-L91 VanDerWaalsContact O-N 3.17Å; T87-M94 HydrophobicContact CG2-CE 4.48Å; T87-E105 HydrophobicContact CG2-CB 4.47Å; T87-E105 HydrophobicContact CG2-CG 3.47Å; T87-E105 VanDerWaalsContact CG2-CG 3.47Å; T87-M108 HydrophobicContact CG2-CE 4.13Å; T87-M108 HydrophobicContact CG2-SD 3.62Å
88D67Low66.1Low25 Ų2562.5 Ų62.513%0.13434%0.338CS..Hα-helixtrans-65.3-41.2179.8-47.4-58.4000112.6Y26 C30 N86 K90 M108Y26-D88 HydrophobicContact CE1-CB 4.24Å; Y26-D88 WeakPolarHBondContact CE1-OD2 3.18Å; C30-D88 HydrophobicContact CB-CB 3.76Å; C30-D88 WeakPolarHBondContact CB-OD1 3.35Å; C30-D88 WeakPolarHBondContact SG-CB 3.45Å; C30-D88 PolarHBondContact SG-OD1 2.99Å; C30-D88 VanDerWaalsContact SG-OD1 3.33Å; N86-D88 PolarHBondContact O-N 3.14Å; N86-D88 VanDerWaalsContact O-N 3.15Å; D88-K90 PolarHBondContact O-N 2.7Å; D88-M108 VanDerWaalsContact OD1-CE 3.29Å; D88-M108 WeakPolarHBondContact OD1-CE 3.42Å
89E70.1Confident67.4Low143 Ų14361.5 Ų61.567%0.66834%0.336SS*.Hα-helixtrans-72.1-19174.7-66.3179.9158.600112.1N86N86-E89 HydrophobicContact CB-CB 4.09Å; N86-E89 HydrophobicContact CB-CG 4.02Å; N86-E89 WeakPolarHBondContact CB-OE2 3.2Å; N86-E89 PolarHBondContact ND2-OE2 3.3Å; N86-E89 PolarHBondContact O-N 2.79Å; N86-E89 VanDerWaalsContact O-N 3.12Å
90K76.9Confident69.4Low90 Ų9054.4 Ų54.439%0.39130%0.299SS..Hα-helixtrans-94-11.2-177.8-67.6-178.3177.9-177.60114.1S85 N86 T87 D88 C92 P93 M94S85-K90 PolarHBondContact OG-NZ 3.19Å; N86-K90 PolarHBondContact O-N 3.21Å; T87-K90 PolarHBondContact O-N 3.32Å; T87-K90 VanDerWaalsContact O-N 3.12Å; D88-K90 PolarHBondContact O-N 2.7Å; K90-C92 PolarHBondContact O-N 3.43Å; K90-P93 VanDerWaalsContact O-CD 3.28Å; K90-P93 WeakPolarHBondContact O-CD 3.47Å; K90-M94 HydrophobicContact CB-CE 4.45Å; K90-M94 WeakPolarHBondContact O-CB 3.32Å; K90-M94 WeakPolarHBondContact O-CG 3.14Å; K90-M94 PolarHBondContact O-N 3Å
91L82.7Confident71.2Confident0 Ų050.8 Ų50.80%028%0.284CS..Hα-helixtrans-57.1-52.3-176.6-74167.6000112.9C30 T36 T87 M94 F95 M108C30-L91 HydrophobicContact CB-CD1 4.06Å; T36-L91 HydrophobicContact CG2-CB 3.99Å; T36-L91 HydrophobicContact CG2-CD1 4.05Å; T87-L91 PolarHBondContact O-N 3.34Å; T87-L91 VanDerWaalsContact O-N 3.17Å; L91-M94 HydrophobicContact CB-CE 4.35Å; L91-M94 HydrophobicContact CD2-CE 3.54Å; L91-M94 HydrophobicContact CG-CE 4.08Å; L91-M94 WeakPolarHBondContact O-CB 3.1Å; L91-M94 PolarHBondContact O-N 3.31Å; L91-M94 VanDerWaalsContact O-N 3.14Å; L91-F95 HydrophobicContact CB-CE2 4.33Å; L91-F95 WeakPolarHBondContact O-CD2 3.33Å; L91-F95 PolarHBondContact O-N 3.3Å; L91-F95 VanDerWaalsContact O-N 3.12Å; L91-M108 HydrophobicContact CD1-CE 4.02Å; L91-M108 HydrophobicContact CD2-CB 3.82Å; L91-M108 HydrophobicContact CD2-CE 4.38Å; L91-M108 HydrophobicContact CG-CE 4.5Å
92C83.9Confident72.9Confident30 Ų3048.4 Ų48.420%0.20327%0.271CS..Hα-helixtrans-59.8-49.4178.7-65.20000112.5F39 K90 M94 F95 L96F39-C92 HydrophobicContact CD2-CB 4.01Å; F39-C92 HydrophobicContact CE2-CB 4.26Å; K90-C92 PolarHBondContact O-N 3.43Å; C92-M94 VanDerWaalsContact C-N 3.28Å; C92-M94 PolarHBondContact O-N 3.05Å; C92-F95 PolarHBondContact O-N 3.28Å; C92-L96 PolarHBondContact O-N 2.75Å
93P83.1Confident75Confident64 Ų6448.2 Ų48.242%0.41626%0.264SS..Hα-helixtrans-55.6-37171.4-27.832.8000114.7K90 L96 T97K90-P93 VanDerWaalsContact O-CD 3.28Å; K90-P93 WeakPolarHBondContact O-CD 3.47Å; P93-L96 PolarHBondContact O-N 2.99Å; P93-T97 WeakPolarHBondContact O-CB 3.21Å; P93-T97 WeakPolarHBondContact O-CG2 3.34Å; P93-T97 PolarHBondContact O-N 3.43Å; P93-T97 PolarHBondContact O-OG1 3.43Å
94M85.1Confident76.7Confident10 Ų1045 Ų455%0.04925%0.247CC..Hα-helixtrans-65.8-38.5178.7-74.7-172.8-60.900112.2T87 K90 L91 C92 T97 G98 V99 V100 E105T87-M94 HydrophobicContact CG2-CE 4.48Å; K90-M94 HydrophobicContact CB-CE 4.45Å; K90-M94 WeakPolarHBondContact O-CB 3.32Å; K90-M94 WeakPolarHBondContact O-CG 3.14Å; K90-M94 PolarHBondContact O-N 3Å; L91-M94 HydrophobicContact CB-CE 4.35Å; L91-M94 HydrophobicContact CD2-CE 3.54Å; L91-M94 HydrophobicContact CG-CE 4.08Å; L91-M94 WeakPolarHBondContact O-CB 3.1Å; L91-M94 PolarHBondContact O-N 3.31Å; L91-M94 VanDerWaalsContact O-N 3.14Å; C92-M94 VanDerWaalsContact C-N 3.28Å; C92-M94 PolarHBondContact O-N 3.05Å; M94-T97 PolarHBondContact O-OG1 3.41Å; M94-G98 WeakPolarHBondContact O-CA 3.37Å; M94-G98 PolarHBondContact O-N 2.95Å; M94-V99 WeakPolarHBondContact CG-O 3.43Å; M94-V100 HydrophobicContact SD-CG1 4.3Å; M94-E105 HydrophobicContact CE-CB 4.1Å; M94-E105 HydrophobicContact CE-CG 3.85Å; M94-E105 HydrophobicContact SD-CB 3.6Å; M94-E105 VanDerWaalsContact SD-CB 3.6Å; M94-E105 VanDerWaalsContact SD-CD 3.5Å; M94-E105 HydrophobicContact SD-CG 3.46Å; M94-E105 WeakPolarHBondContact SD-CG 3.42Å
95F85.4Confident78.6Confident1 Ų143.9 Ų43.90%0.00424%0.239CC..Hα-helixtrans-64.7-41.4174.7-67.7-57.8000112.1T36 F39 A40 M43 L91 C92 A109 I113T36-F95 HydrophobicContact CG2-CE2 3.73Å; F39-F95 HydrophobicContact CB-CB 4.16Å; F39-F95 HydrophobicContact CB-CD2 4.15Å; F39-F95 HydrophobicContact CB-CG 4.43Å; A40-F95 HydrophobicContact CB-CD1 4.39Å; A40-F95 HydrophobicContact CB-CD2 4.5Å; A40-F95 HydrophobicContact CB-CE1 4.01Å; A40-F95 HydrophobicContact CB-CE2 4.12Å; A40-F95 HydrophobicContact CB-CZ 3.87Å; M43-F95 WeakPolarHBondContact CE-O 3.36Å; M43-F95 HydrophobicContact CG-CB 4.05Å; M43-F95 VanDerWaalsContact SD-O 3.39Å; L91-F95 HydrophobicContact CB-CE2 4.33Å; L91-F95 WeakPolarHBondContact O-CD2 3.33Å; L91-F95 PolarHBondContact O-N 3.3Å; L91-F95 VanDerWaalsContact O-N 3.12Å; C92-F95 PolarHBondContact O-N 3.28Å; F95-A109 HydrophobicContact CE1-CB 3.89Å; F95-A109 HydrophobicContact CZ-CB 4.1Å; F95-I113 HydrophobicContact CD1-CD1 4.38Å; F95-I113 HydrophobicContact CD1-CG1 4.47Å; F95-I113 HydrophobicContact CE1-CD1 3.87Å; F95-I113 HydrophobicContact CE1-CG1 3.78Å
96L82.6Confident80.3Confident116 Ų11643.3 Ų43.361%0.60723%0.234SC*.Hα-helixtrans-67.3-43.1179.2-69.6170.6000112.7F39 C92 P93F39-L96 HydrophobicContact CD1-CD2 4.02Å; F39-L96 HydrophobicContact CD1-CG 4.26Å; F39-L96 HydrophobicContact CE1-CD1 4.23Å; F39-L96 HydrophobicContact CE1-CD2 3.92Å; F39-L96 HydrophobicContact CE1-CG 4.24Å; C92-L96 PolarHBondContact O-N 2.75Å; P93-L96 PolarHBondContact O-N 2.99Å
97T84.8Confident81.8Confident95 Ų9540.3 Ų40.358%0.58322%0.218SC*.Hα-helixtrans-81.8-26.2-177.8570000112.9P93 M94 V99P93-T97 WeakPolarHBondContact O-CB 3.21Å; P93-T97 WeakPolarHBondContact O-CG2 3.34Å; P93-T97 PolarHBondContact O-N 3.43Å; P93-T97 PolarHBondContact O-OG1 3.43Å; M94-T97 PolarHBondContact O-OG1 3.41Å; T97-V99 PolarHBondContact O-N 3.21Å; T97-V99 PolarHBondContact OG1-N 2.97Å
98G83Confident83.3Confident12 Ų1240.2 Ų40.212%0.12422%0.217CC..  trans71.914.1-17300000113.9M94M94-G98 WeakPolarHBondContact O-CA 3.37Å; M94-G98 PolarHBondContact O-N 2.95Å
99V84.4Confident84.6Confident89 Ų8939 Ų3954%0.53921%0.211SC..  trans-107.8131.8-176-1780000109.9M94 T97M94-V99 WeakPolarHBondContact CG-O 3.43Å; T97-V99 PolarHBondContact O-N 3.21Å; T97-V99 PolarHBondContact OG1-N 2.97Å
100V84.8Confident85.8Confident1 Ų132.2 Ų32.21%0.00618%0.179CC..  trans-121.8132.4172.8-72.80000109Y71 I73 M94 E105 Q106Y71-V100 HydrophobicContact CD1-CG1 3.81Å; I73-V100 HydrophobicContact CG1-CG2 4.04Å; M94-V100 HydrophobicContact SD-CG1 4.3Å; V100-E105 HydrophobicContact CB-CB 4.41Å; V100-E105 HydrophobicContact CG1-CB 4.45Å; V100-Q106 HydrophobicContact CB-CB 4.32Å; V100-Q106 HydrophobicContact CG2-CB 4.18Å; V100-Q106 HydrophobicContact CG2-CG 4.36Å
101S80.8Confident86.7Confident36 Ų3628 Ų2825%0.25216%0.161SC..  trans-90.3-32.4-175.572.10000112.9N77 E105N77-S101 WeakPolarHBondContact CB-O 3.47Å; S101-E105 WeakPolarHBondContact CA-OE2 3.38Å; S101-E105 VanDerWaalsContact CB-OE2 3.26Å; S101-E105 WeakPolarHBondContact CB-OE2 3.41Å; S101-E105 PolarHBondContact N-OE2 3.03Å; S101-E105 PolarHBondContact OG-OE1 3.38Å; S101-E105 VanDerWaalsContact OG-OE1 3.05Å; S101-E105 PolarHBondContact OG-OE2 3Å
102N80.9Confident87.3Confident19 Ų1928 Ų2810%0.10216%0.161CC..SBendtrans-144.5170.3-172.962.164.3000112.3R104 E105 Q106N102-R104 VanDerWaalsContact C-N 3.3Å; N102-R104 PolarHBondContact O-N 2.91Å; N102-R104 WeakPolarHBondContact OD1-CA 3.32Å; N102-R104 VanDerWaalsContact OD1-CB 3.3Å; N102-R104 WeakPolarHBondContact OD1-CB 3.35Å; N102-R104 PolarHBondContact OD1-N 2.89Å; N102-E105 VanDerWaalsContact ND2-CD 3.34Å; N102-E105 PolarHBondContact ND2-OE1 3.08Å; N102-E105 PolarHBondContact O-N 2.89Å; N102-E105 PolarHBondContact OD1-N 3.38Å; N102-Q106 PolarHBondContact O-N 3.35Å
103Q84.4Confident87.8Confident57 Ų5726.5 Ų26.527%0.26615%0.151SC..Hα-helixtrans-64-32-178.1-175.6178.2-17.700113.2I73 T107 Y191 Y209I73-Q103 HydrophobicContact CD1-CB 4.49Å; Q103-T107 VanDerWaalsContact O-CB 3.29Å; Q103-T107 WeakPolarHBondContact O-CB 3.28Å; Q103-T107 PolarHBondContact O-N 2.8Å; Q103-T107 PolarHBondContact O-OG1 3.3Å; Q103-Y191 PolarHBondContact NE2-O 3.4Å; Q103-Y209 HydrophobicContact CG-CE1 4.38Å; Q103-Y209 VanDerWaalsContact NE2-CE1 3.29Å; Q103-Y209 VanDerWaalsContact NE2-CZ 3.33Å; Q103-Y209 PolarHBondContact NE2-OH 3.04Å
104R86.5Confident88.4Confident44 Ų4423.5 Ų23.517%0.16613%0.132CC..Hα-helixtrans-63.8-51.8176.5175.6-173175.6-1771.9110.1H23 S27 N102 Q106 T107 M108 Y191H23-R104 PolarHBondContact NE2-NH2 3.46Å; S27-R104 PolarHBondContact OG-NH2 2.92Å; N102-R104 VanDerWaalsContact C-N 3.3Å; N102-R104 PolarHBondContact O-N 2.91Å; N102-R104 WeakPolarHBondContact OD1-CA 3.32Å; N102-R104 VanDerWaalsContact OD1-CB 3.3Å; N102-R104 WeakPolarHBondContact OD1-CB 3.35Å; N102-R104 PolarHBondContact OD1-N 2.89Å; R104-Q106 PolarHBondContact O-N 3.4Å; R104-T107 WeakPolarHBondContact O-CB 3.33Å; R104-T107 PolarHBondContact O-N 3.24Å; R104-M108 HydrophobicContact CG-CG 4.42Å; R104-M108 HydrophobicContact CG-SD 3.71Å; R104-M108 WeakPolarHBondContact O-CB 3.5Å; R104-M108 VanDerWaalsContact O-CG 3.29Å; R104-M108 WeakPolarHBondContact O-CG 3.22Å; R104-M108 PolarHBondContact O-N 3.31Å; R104-Y191 HydrophobicContact CB-CD2 3.76Å; R104-Y191 HydrophobicContact CB-CE2 4.07Å; R104-Y191 HydrophobicContact CB-CG 4.25Å; R104-Y191 HydrophobicContact CG-CD1 4.31Å; R104-Y191 HydrophobicContact CG-CD2 3.9Å; R104-Y191 HydrophobicContact CG-CE1 4.35Å; R104-Y191 HydrophobicContact CG-CE2 3.95Å; R104-Y191 HydrophobicContact CG-CG 4.11Å
105E88.1Confident88.9Confident5 Ų523.9 Ų23.92%0.02313%0.132CC..Hα-helixtrans-56.6-48.1176.3-81.8174.6-162.800112.2T87 M94 V100 S101 N102 T107 M108 A109T87-E105 HydrophobicContact CG2-CB 4.47Å; T87-E105 HydrophobicContact CG2-CG 3.47Å; T87-E105 VanDerWaalsContact CG2-CG 3.47Å; M94-E105 HydrophobicContact CE-CB 4.1Å; M94-E105 HydrophobicContact CE-CG 3.85Å; M94-E105 HydrophobicContact SD-CB 3.6Å; M94-E105 VanDerWaalsContact SD-CB 3.6Å; M94-E105 VanDerWaalsContact SD-CD 3.5Å; M94-E105 HydrophobicContact SD-CG 3.46Å; M94-E105 WeakPolarHBondContact SD-CG 3.42Å; V100-E105 HydrophobicContact CB-CB 4.41Å; V100-E105 HydrophobicContact CG1-CB 4.45Å; S101-E105 WeakPolarHBondContact CA-OE2 3.38Å; S101-E105 VanDerWaalsContact CB-OE2 3.26Å; S101-E105 WeakPolarHBondContact CB-OE2 3.41Å; S101-E105 PolarHBondContact N-OE2 3.03Å; S101-E105 PolarHBondContact OG-OE1 3.38Å; S101-E105 VanDerWaalsContact OG-OE1 3.05Å; S101-E105 PolarHBondContact OG-OE2 3Å; N102-E105 VanDerWaalsContact ND2-CD 3.34Å; N102-E105 PolarHBondContact ND2-OE1 3.08Å; N102-E105 PolarHBondContact O-N 2.89Å; N102-E105 PolarHBondContact OD1-N 3.38Å; E105-T107 VanDerWaalsContact C-N 3.32Å; E105-T107 PolarHBondContact O-N 3.37Å; E105-M108 PolarHBondContact O-N 3.28Å; E105-A109 VanDerWaalsContact O-CB 3.3Å; E105-A109 WeakPolarHBondContact O-CB 3.26Å; E105-A109 PolarHBondContact O-N 2.96Å
106Q89.8Confident89.3Confident7 Ų725 Ų253%0.03314%0.14CC..Hα-helixtrans-59.5-43.5177-173-172.949.700111.7F67 Y71 I73 V100 N102 R104 F110 L208F67-Q106 HydrophobicContact CE1-CG 3.68Å; F67-Q106 HydrophobicContact CZ-CG 4.06Å; F67-Q106 VanDerWaalsContact CZ-O 3.26Å; F67-Q106 WeakPolarHBondContact CZ-O 3.23Å; Y71-Q106 PolarHBondContact O-NE2 2.99Å; I73-Q106 HydrophobicContact CD1-CB 4.13Å; I73-Q106 HydrophobicContact CG1-CB 4.44Å; V100-Q106 HydrophobicContact CB-CB 4.32Å; V100-Q106 HydrophobicContact CG2-CB 4.18Å; V100-Q106 HydrophobicContact CG2-CG 4.36Å; N102-Q106 PolarHBondContact O-N 3.35Å; R104-Q106 PolarHBondContact O-N 3.4Å; Q106-F110 PolarHBondContact O-N 2.98Å; Q106-L208 HydrophobicContact CG-CD1 4.48Å
107T92.6Very high89.7Confident0 Ų021.5 Ų21.50%012%0.122CC..Hα-helixtrans-64.2-48177.8-62.20000111.3Q103 R104 E105 A109 F110 I111 L123 Y191 P193Q103-T107 VanDerWaalsContact O-CB 3.29Å; Q103-T107 WeakPolarHBondContact O-CB 3.28Å; Q103-T107 PolarHBondContact O-N 2.8Å; Q103-T107 PolarHBondContact O-OG1 3.3Å; R104-T107 WeakPolarHBondContact O-CB 3.33Å; R104-T107 PolarHBondContact O-N 3.24Å; E105-T107 VanDerWaalsContact C-N 3.32Å; E105-T107 PolarHBondContact O-N 3.37Å; T107-A109 VanDerWaalsContact C-N 3.35Å; T107-A109 PolarHBondContact O-N 2.84Å; T107-F110 PolarHBondContact O-N 3.4Å; T107-I111 HydrophobicContact CG2-CD1 3.76Å; T107-I111 VanDerWaalsContact O-CG1 3.3Å; T107-I111 WeakPolarHBondContact O-CG1 3.45Å; T107-I111 PolarHBondContact O-N 3.19Å; T107-L123 HydrophobicContact CG2-CD1 3.88Å; T107-Y191 PolarHBondContact OG1-O 3.44Å; T107-P193 HydrophobicContact CG2-CG 4.23Å
108M92.7Very high90Very high0 Ų020 Ų200%013%0.125CC..Hα-helixtrans-63.4-41.5-179.6-70.8176.566.400111.5C31 T87 D88 L91 R104 E105 F110 I111 S112C31-M108 VanDerWaalsContact SG-CB 3.58Å; T87-M108 HydrophobicContact CG2-CE 4.13Å; T87-M108 HydrophobicContact CG2-SD 3.62Å; D88-M108 VanDerWaalsContact OD1-CE 3.29Å; D88-M108 WeakPolarHBondContact OD1-CE 3.42Å; L91-M108 HydrophobicContact CD1-CE 4.02Å; L91-M108 HydrophobicContact CD2-CB 3.82Å; L91-M108 HydrophobicContact CD2-CE 4.38Å; L91-M108 HydrophobicContact CG-CE 4.5Å; R104-M108 HydrophobicContact CG-CG 4.42Å; R104-M108 HydrophobicContact CG-SD 3.71Å; R104-M108 WeakPolarHBondContact O-CB 3.5Å; R104-M108 VanDerWaalsContact O-CG 3.29Å; R104-M108 WeakPolarHBondContact O-CG 3.22Å; R104-M108 PolarHBondContact O-N 3.31Å; E105-M108 PolarHBondContact O-N 3.28Å; M108-F110 PolarHBondContact O-N 2.84Å; M108-I111 PolarHBondContact O-N 2.7Å; M108-S112 PolarHBondContact O-N 2.94Å; M108-S112 PolarHBondContact O-OG 3.25Å
109A93.1Very high90.5Very high0 Ų020.6 Ų20.60%013%0.125CC..Hα-helixtrans-61.7-43.5175.500000112.2F67 F95 E105 T107 I113F67-A109 HydrophobicContact CE2-CB 4.29Å; F67-A109 HydrophobicContact CZ-CB 4.23Å; F95-A109 HydrophobicContact CE1-CB 3.89Å; F95-A109 HydrophobicContact CZ-CB 4.1Å; E105-A109 VanDerWaalsContact O-CB 3.3Å; E105-A109 WeakPolarHBondContact O-CB 3.26Å; E105-A109 PolarHBondContact O-N 2.96Å; T107-A109 VanDerWaalsContact C-N 3.35Å; T107-A109 PolarHBondContact O-N 2.84Å; A109-I113 WeakPolarHBondContact O-CG1 3.33Å; A109-I113 PolarHBondContact O-N 3.5Å; A109-I113 VanDerWaalsContact O-N 3.13Å
110F95.2Very high91Very high1 Ų119.3 Ų19.30%0.00411%0.113CC..Hα-helixtrans-61.1-44.9175.4178.4-94.3000111.8L60 L63 I64 F67 Q106 T107 M108 I113 A114 P193 V206 L208L60-F110 HydrophobicContact CD1-CZ 4.45Å; L63-F110 HydrophobicContact CD2-CE2 4.2Å; L63-F110 HydrophobicContact CD2-CZ 4.33Å; L63-F110 HydrophobicContact CG-CE2 4.2Å; I64-F110 HydrophobicContact CG1-CE2 3.94Å; I64-F110 HydrophobicContact CG1-CZ 3.98Å; F67-F110 HydrophobicContact CB-CD2 4.18Å; F67-F110 HydrophobicContact CD1-CB 4.31Å; F67-F110 AromaticContact CD1-CD2 3.84Å; F67-F110 HydrophobicContact CD1-CD2 3.84Å; F67-F110 HydrophobicContact CD2-CB 4.34Å; F67-F110 AromaticContact CD2-CD2 3.99Å; F67-F110 HydrophobicContact CD2-CD2 3.99Å; F67-F110 HydrophobicContact CE1-CB 3.85Å; F67-F110 HydrophobicContact CE1-CD2 4.24Å; F67-F110 HydrophobicContact CE2-CB 3.88Å; F67-F110 HydrophobicContact CE2-CD2 4.38Å; F67-F110 AromaticContact CG-CD2 3.71Å; F67-F110 HydrophobicContact CG-CD2 3.71Å; F67-F110 HydrophobicContact CZ-CB 3.63Å; Q106-F110 PolarHBondContact O-N 2.98Å; T107-F110 PolarHBondContact O-N 3.4Å; M108-F110 PolarHBondContact O-N 2.84Å; F110-I113 PolarHBondContact O-N 3.44Å; F110-A114 HydrophobicContact CE1-CB 4.24Å; F110-A114 HydrophobicContact CZ-CB 4.5Å; F110-A114 WeakPolarHBondContact O-CB 3.24Å; F110-A114 PolarHBondContact O-N 3.43Å; F110-P193 HydrophobicContact CD1-CB 3.65Å; F110-P193 HydrophobicContact CD1-CG 3.42Å; F110-P193 VanDerWaalsContact CD1-CG 3.42Å; F110-P193 HydrophobicContact CE1-CB 3.82Å; F110-P193 HydrophobicContact CE1-CG 3.88Å; F110-P193 HydrophobicContact CG-CG 4.25Å; F110-V206 HydrophobicContact CE1-CB 4.28Å; F110-V206 HydrophobicContact CE1-CG1 3.9Å; F110-V206 HydrophobicContact CE1-CG2 4.15Å; F110-V206 HydrophobicContact CE2-CG1 4.38Å; F110-V206 HydrophobicContact CZ-CG1 3.76Å; F110-V206 HydrophobicContact CZ-CG2 4.4Å; F110-L208 HydrophobicContact CB-CD1 3.77Å; F110-L208 HydrophobicContact CB-CD2 4.18Å; F110-L208 HydrophobicContact CD1-CD1 4.48Å; F110-L208 HydrophobicContact CD1-CD2 4.19Å; F110-L208 HydrophobicContact CD2-CD2 3.55Å; F110-L208 HydrophobicContact CE2-CD2 3.93Å; F110-L208 HydrophobicContact CG-CD1 4.07Å; F110-L208 HydrophobicContact CG-CD2 3.69Å; F110-L208 HydrophobicContact CZ-CD2 4.41Å
111I96Very high91.6Very high0 Ų019.3 Ų19.30%011%0.113CC..Hα-helixtrans-63.3-45.1-178.5-69.9167.7000110.8C31 T107 M108 I113 A114 R115 V121 L123 P193C31-I111 HydrophobicContact CB-CG2 4Å; T107-I111 HydrophobicContact CG2-CD1 3.76Å; T107-I111 VanDerWaalsContact O-CG1 3.3Å; T107-I111 WeakPolarHBondContact O-CG1 3.45Å; T107-I111 PolarHBondContact O-N 3.19Å; M108-I111 PolarHBondContact O-N 2.7Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I111-I113 PolarHBondContact O-N 3.43Å; I111-A114 PolarHBondContact O-N 2.83Å; I111-R115 HydrophobicContact CG2-CG 4.25Å; I111-R115 WeakPolarHBondContact O-CB 3.09Å; I111-R115 VanDerWaalsContact O-CG 3.28Å; I111-R115 WeakPolarHBondContact O-CG 3Å; I111-R115 PolarHBondContact O-N 3.44Å; I111-V121 HydrophobicContact CB-CG1 4.45Å; I111-V121 HydrophobicContact CG1-CG1 3.93Å; I111-V121 HydrophobicContact CG2-CG1 4.29Å; I111-L123 HydrophobicContact CD1-CB 3.71Å; I111-L123 HydrophobicContact CD1-CD1 3.39Å; I111-L123 HydrophobicContact CD1-CG 4.15Å; I111-P193 HydrophobicContact CD1-CB 4.31Å; I111-P193 HydrophobicContact CG1-CB 3.92Å; I111-P193 HydrophobicContact CG1-CG 4.46Å
112S95.2Very high92.4Very high0 Ų017.6 Ų17.60%010%0.101CC..Hα-helixtrans-58.6-43.9175.3-66.60000112.5C31 L37 M108 R115 S116C31-S112 WeakPolarHBondContact CA-OG 3.36Å; C31-S112 WeakPolarHBondContact O-CA 3.36Å; C31-S112 WeakPolarHBondContact O-CB 3.18Å; C31-S112 PolarHBondContact O-OG 2.87Å; L37-S112 WeakPolarHBondContact CD2-O 3.36Å; M108-S112 PolarHBondContact O-N 2.94Å; M108-S112 PolarHBondContact O-OG 3.25Å; S112-R115 PolarHBondContact O-N 2.76Å; S112-S116 WeakPolarHBondContact O-CB 3.34Å; S112-S116 PolarHBondContact O-N 3.33Å
113I94.9Very high93.1Very high0 Ų016.7 Ų16.70%010%0.096CC..Hα-helixtrans-64.5-44.9177-69.7169.2000111.5A40 V44 L63 W66 F67 Y71 F95 A109 F110 I111 R115 S116 L117A40-I113 HydrophobicContact CB-CB 4.49Å; A40-I113 HydrophobicContact CB-CG1 3.78Å; V44-I113 HydrophobicContact CG2-CG2 3.5Å; L63-I113 HydrophobicContact CD1-CG2 3.72Å; W66-I113 HydrophobicContact CH2-CD1 4.18Å; W66-I113 HydrophobicContact CZ3-CD1 4.05Å; W66-I113 HydrophobicContact CZ3-CG2 4.34Å; F67-I113 HydrophobicContact CD2-CD1 3.84Å; F67-I113 HydrophobicContact CE2-CD1 3.81Å; Y71-I113 HydrophobicContact CE2-CD1 3.99Å; F95-I113 HydrophobicContact CD1-CD1 4.38Å; F95-I113 HydrophobicContact CD1-CG1 4.47Å; F95-I113 HydrophobicContact CE1-CD1 3.87Å; F95-I113 HydrophobicContact CE1-CG1 3.78Å; A109-I113 WeakPolarHBondContact O-CG1 3.33Å; A109-I113 PolarHBondContact O-N 3.5Å; A109-I113 VanDerWaalsContact O-N 3.13Å; F110-I113 PolarHBondContact O-N 3.44Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I111-I113 PolarHBondContact O-N 3.43Å; I113-R115 VanDerWaalsContact C-N 3.34Å; I113-R115 PolarHBondContact O-N 2.86Å; I113-S116 PolarHBondContact O-N 3.18Å; I113-S116 PolarHBondContact O-OG 3.4Å; I113-L117 WeakPolarHBondContact O-CG 3.46Å; I113-L117 PolarHBondContact O-N 3.34Å
114A95.7Very high93.7Very high1 Ų114 Ų141%0.0088%0.084CC..Hα-helixtrans-67.7-37.9-178.900000111.4L63 F110 I111 L117 M119 V121L63-A114 HydrophobicContact CD2-CB 4.14Å; F110-A114 HydrophobicContact CE1-CB 4.24Å; F110-A114 HydrophobicContact CZ-CB 4.5Å; F110-A114 WeakPolarHBondContact O-CB 3.24Å; F110-A114 PolarHBondContact O-N 3.43Å; I111-A114 PolarHBondContact O-N 2.83Å; A114-L117 PolarHBondContact O-N 3.3Å; A114-M119 HydrophobicContact CB-SD 4.41Å; A114-M119 VanDerWaalsContact O-CB 3.29Å; A114-M119 WeakPolarHBondContact O-CB 3.44Å; A114-M119 PolarHBondContact O-N 3.43Å; A114-M119 VanDerWaalsContact O-N 3.13Å; A114-V121 HydrophobicContact CB-CB 4.48Å; A114-V121 HydrophobicContact CB-CG2 3.62Å
115R95.4Very high94Very high17 Ų1711.9 Ų11.96%0.0648%0.076CC..Hα-helixtrans-67.1-36.4173.9-73.1-178.4178.5166.83.1112.4S28 S32 L37 I111 S112 I113 L117 G118 V121 F234 D235 N236S28-R115 PolarHBondContact O-NH1 3.3Å; S28-R115 PolarHBondContact OG-NH1 3.5Å; S28-R115 PolarHBondContact OG-NH2 2.88Å; S32-R115 VanDerWaalsContact OG-CD 3.3Å; S32-R115 WeakPolarHBondContact OG-CD 3.26Å; S32-R115 PolarHBondContact OG-NH1 3.48Å; L37-R115 HydrophobicContact CD2-CB 3.95Å; I111-R115 HydrophobicContact CG2-CG 4.25Å; I111-R115 WeakPolarHBondContact O-CB 3.09Å; I111-R115 VanDerWaalsContact O-CG 3.28Å; I111-R115 WeakPolarHBondContact O-CG 3Å; I111-R115 PolarHBondContact O-N 3.44Å; S112-R115 PolarHBondContact O-N 2.76Å; I113-R115 VanDerWaalsContact C-N 3.34Å; I113-R115 PolarHBondContact O-N 2.86Å; R115-L117 PolarHBondContact O-N 2.86Å; R115-G118 PolarHBondContact O-N 3.34Å; R115-V121 HydrophobicContact CG-CB 4.35Å; R115-V121 PolarHBondContact NE-O 3.41Å; R115-V121 PolarHBondContact NH2-O 3.28Å; R115-F234 PolarHBondContact NH2-O 3.48Å; R115-D235 PolarHBondContact NH2-O 3.27Å; R115-N236 PolarHBondContact NE-OD1 3.2Å
116S93.7Very high94.2Very high24 Ų2412.1 Ų12.117%0.1688%0.078CC..Hα-helixtrans-66.4-22176.175.30000113L37 L41 S112 I113 G118L37-S116 WeakPolarHBondContact O-CB 3.27Å; L41-S116 PolarHBondContact N-OG 3.15Å; S112-S116 WeakPolarHBondContact O-CB 3.34Å; S112-S116 PolarHBondContact O-N 3.33Å; I113-S116 PolarHBondContact O-N 3.18Å; I113-S116 PolarHBondContact O-OG 3.4Å; S116-G118 VanDerWaalsContact C-N 3.28Å
117L92.4Very high94.1Very high44 Ų4411.8 Ų11.823%0.238%0.076CC..THydrogen-bonded Turntrans-854.7171.1-66173.2000113.5L41 V44 I48 A49 L63 I113 A114 R115 M119L41-L117 HydrophobicContact CD1-CD2 4.04Å; V44-L117 HydrophobicContact CG1-CD1 4.41Å; V44-L117 HydrophobicContact CG1-CD2 4.31Å; I48-L117 HydrophobicContact CG2-CD1 4.39Å; A49-L117 HydrophobicContact CB-CD2 4.13Å; L63-L117 HydrophobicContact CD1-CD1 3.98Å; L63-L117 HydrophobicContact CD2-CD1 3.96Å; I113-L117 WeakPolarHBondContact O-CG 3.46Å; I113-L117 PolarHBondContact O-N 3.34Å; A114-L117 PolarHBondContact O-N 3.3Å; R115-L117 PolarHBondContact O-N 2.86Å; L117-M119 VanDerWaalsContact C-N 3.3Å; L117-M119 HydrophobicContact CB-CG 4.28Å; L117-M119 PolarHBondContact O-N 3.27Å
118G91.2Very high93.5Very high62 Ų6212.2 Ų12.264%0.6398%0.08SC*.THydrogen-bonded Turntrans77.410.8-17900000114.5R115 S116R115-G118 PolarHBondContact O-N 3.34Å; S116-G118 VanDerWaalsContact C-N 3.28Å
119M93.7Very high92.4Very high25 Ų2512.3 Ų12.312%0.1238%0.08CC..  trans-74.5147.3178-54.3-17576.400111.2L60 L63 A114 L117 V121 V195 N236L60-M119 HydrophobicContact CB-CE 4.04Å; L60-M119 HydrophobicContact CD1-CE 3.99Å; L60-M119 HydrophobicContact CG-CE 4.48Å; L63-M119 HydrophobicContact CD2-SD 4.09Å; A114-M119 HydrophobicContact CB-SD 4.41Å; A114-M119 VanDerWaalsContact O-CB 3.29Å; A114-M119 WeakPolarHBondContact O-CB 3.44Å; A114-M119 PolarHBondContact O-N 3.43Å; A114-M119 VanDerWaalsContact O-N 3.13Å; L117-M119 VanDerWaalsContact C-N 3.3Å; L117-M119 HydrophobicContact CB-CG 4.28Å; L117-M119 PolarHBondContact O-N 3.27Å; M119-V121 HydrophobicContact CB-CG2 3.85Å; M119-V121 PolarHBondContact O-N 3.17Å; M119-V195 HydrophobicContact CE-CG2 3.82Å; M119-N236 PolarHBondContact O-ND2 3.15Å
120Q94.9Very high90.9Very high62 Ų6214.1 Ų14.129%0.299%0.09SC..  trans-82.2103.5174-72.4-70.3-38.700109.5Y196 W203Q120-Y196 PolarHBondContact O-N 2.82Å; Q120-W203 HydrophobicContact CB-CH2 4.5Å
121V96.6Very high89.1Confident1 Ų116.1 Ų16.11%0.00610%0.098CC..EExtended strand (participates in β ladder)trans-133.1125.4-171.2-173.40000112.1I111 A114 R115 M119 P193 E194 V195 N236I111-V121 HydrophobicContact CB-CG1 4.45Å; I111-V121 HydrophobicContact CG1-CG1 3.93Å; I111-V121 HydrophobicContact CG2-CG1 4.29Å; A114-V121 HydrophobicContact CB-CB 4.48Å; A114-V121 HydrophobicContact CB-CG2 3.62Å; R115-V121 HydrophobicContact CG-CB 4.35Å; R115-V121 PolarHBondContact NE-O 3.41Å; R115-V121 PolarHBondContact NH2-O 3.28Å; M119-V121 HydrophobicContact CB-CG2 3.85Å; M119-V121 PolarHBondContact O-N 3.17Å; V121-P193 HydrophobicContact CG1-CB 4.25Å; V121-E194 CarbonylContact C-O 3.57Å; V121-E194 VanDerWaalsContact CA-O 3.27Å; V121-E194 WeakPolarHBondContact CA-O 3.22Å; V121-E194 WeakPolarHBondContact CG1-O 3.37Å; V121-V195 HydrophobicContact CG2-CB 4.44Å; V121-V195 HydrophobicContact CG2-CG2 4.19Å; V121-N236 PolarHBondContact N-OD1 3.28Å; V121-N236 PolarHBondContact O-OD1 2.91Å
122R96.7Very high87.4Confident1 Ų117.9 Ų17.90%0.00411%0.106CC..EExtended strand (participates in β ladder)trans-95143.5174.2-74.6165.6175.8177.55111.8P193 E194 W203 F234 D235 E284R122-P193 WeakPolarHBondContact O-CA 3.27Å; R122-E194 HydrophobicContact CB-CB 4.2Å; R122-E194 PolarHBondContact N-O 3.31Å; R122-E194 PolarHBondContact O-N 2.87Å; R122-W203 HydrophobicContact CB-CH2 4.43Å; R122-W203 HydrophobicContact CB-CZ3 4.03Å; R122-W203 VanDerWaalsContact CD-CH2 3.49Å; R122-W203 HydrophobicContact CG-CE3 4.25Å; R122-W203 HydrophobicContact CG-CH2 3.52Å; R122-W203 HydrophobicContact CG-CZ2 4.11Å; R122-W203 HydrophobicContact CG-CZ3 3.6Å; R122-W203 VanDerWaalsContact NH1-NE1 3.17Å; R122-F234 CarbonylContact C-O 3.49Å; R122-F234 WeakPolarHBondContact CA-O 3.49Å; R122-D235 HydrophobicContact CG-CB 3.8Å; R122-E284 IonicContact CZ-OE2 3.6Å; R122-E284 VanDerWaalsContact NH1-CD 3.29Å; R122-E284 IonicContact NH1-OE1 3.6Å; R122-E284 PolarHBondContact NH1-OE1 3.16Å; R122-E284 IonicContact NH1-OE2 3.96Å; R122-E284 PolarHBondContact NH1-OE2 3.37Å; R122-E284 IonicContact NH2-OE2 3.69Å; R122-E284 PolarHBondContact NH2-OE2 2.86Å; R122-E284 VanDerWaalsContact NH2-OE2 3.14Å
123L96.8Very high85.3Confident0 Ų021.3 Ų21.30%013%0.129CC..EExtended strand (participates in β ladder)trans-87111.6161.2176.164.5000108.4T107 I111 V125 Y191 S233 F234T107-L123 HydrophobicContact CG2-CD1 3.88Å; I111-L123 HydrophobicContact CD1-CB 3.71Å; I111-L123 HydrophobicContact CD1-CD1 3.39Å; I111-L123 HydrophobicContact CD1-CG 4.15Å; L123-V125 HydrophobicContact CD1-CG2 4.49Å; L123-V125 HydrophobicContact CD2-CG2 4.11Å; L123-V125 HydrophobicContact CG-CG2 3.87Å; L123-Y191 HydrophobicContact CD1-CD1 4.15Å; L123-S233 CarbonylContact O-C 3.12Å; L123-S233 VanDerWaalsContact O-CA 3.31Å; L123-S233 WeakPolarHBondContact O-CA 3.4Å; L123-F234 HydrophobicContact CB-CB 4.47Å; L123-F234 PolarHBondContact N-O 3.41Å; L123-F234 WeakPolarHBondContact O-CD2 3.06Å; L123-F234 PolarHBondContact O-N 3.33Å
124A96.4Very high83Confident0 Ų025.4 Ų25.40%016%0.158CC..EExtended strand (participates in β ladder)trans-91.4133.8170.300000110.1Y191 W192 E194 L232A124-Y191 WeakPolarHBondContact O-CA 3.35Å; A124-W192 HydrophobicContact CB-CD2 3.87Å; A124-W192 HydrophobicContact CB-CG 4.09Å; A124-W192 HydrophobicContact CB-CZ2 3.81Å; A124-W192 VanDerWaalsContact CB-NE1 3.27Å; A124-W192 PolarHBondContact N-O 3.41Å; A124-W192 PolarHBondContact O-N 2.95Å; A124-W192 VanDerWaalsContact O-N 3.08Å; A124-E194 HydrophobicContact CB-CG 4.37Å; A124-L232 CarbonylContact C-O 3.58Å; A124-L232 WeakPolarHBondContact CA-O 3.31Å
125V93.7Very high80.4Confident0 Ų032.5 Ų32.50%019%0.191CC..EExtended strand (participates in β ladder)trans-131.5125.1178.9-164.90000108.8F20 L123 F189 H190 Y191 C231 L232 F234F20-V125 HydrophobicContact CE2-CB 4.1Å; F20-V125 HydrophobicContact CE2-CG1 3.67Å; F20-V125 HydrophobicContact CZ-CB 4.22Å; F20-V125 HydrophobicContact CZ-CG1 4.18Å; F20-V125 WeakPolarHBondContact CZ-O 3.21Å; L123-V125 HydrophobicContact CD1-CG2 4.49Å; L123-V125 HydrophobicContact CD2-CG2 4.11Å; L123-V125 HydrophobicContact CG-CG2 3.87Å; V125-F189 HydrophobicContact CG1-CD1 4.22Å; V125-H190 WeakPolarHBondContact CA-O 3.34Å; V125-Y191 HydrophobicContact CB-CD1 4.25Å; V125-Y191 HydrophobicContact CB-CE1 4.22Å; V125-Y191 HydrophobicContact CG1-CD1 3.81Å; V125-Y191 HydrophobicContact CG1-CE1 3.44Å; V125-Y191 VanDerWaalsContact CG1-CE1 3.44Å; V125-Y191 HydrophobicContact CG1-CG 4.5Å; V125-Y191 HydrophobicContact CG2-CD1 3.64Å; V125-Y191 HydrophobicContact CG2-CE1 3.73Å; V125-C231 CarbonylContact O-C 3.58Å; V125-C231 VanDerWaalsContact O-CA 3.32Å; V125-C231 WeakPolarHBondContact O-CA 3.37Å; V125-L232 PolarHBondContact N-O 2.97Å; V125-L232 PolarHBondContact O-N 2.7Å; V125-F234 HydrophobicContact CG2-CD2 4.3Å; V125-F234 HydrophobicContact CG2-CE2 4.13Å
126S91.8Very high77.6Confident9 Ų936.5 Ų36.56%0.06322%0.217CC..EExtended strand (participates in β ladder)trans-99.4151.6170.9610000111.7F189 H190 Y230S126-F189 VanDerWaalsContact O-CA 3.28Å; S126-F189 WeakPolarHBondContact O-CA 3.14Å; S126-H190 PolarHBondContact N-O 3.26Å; S126-H190 PolarHBondContact O-N 3.28Å; S126-H190 WeakPolarHBondContact OG-CB 3.5Å; S126-H190 PolarHBondContact OG-N 3.3Å; S126-H190 PolarHBondContact OG-O 3.31Å; S126-Y230 CarbonylContact C-O 3.39Å; S126-Y230 WeakPolarHBondContact CA-O 3.48Å
127L87.3Confident74.7Confident0 Ų040.5 Ų40.50%025%0.245CC..EExtended strand (participates in β ladder)trans-123.8121.7172.6174.863.6000108.7L17 F20 F131 F132 N188 F189 A229 Y230L17-L127 HydrophobicContact CD2-CD2 4.46Å; F20-L127 HydrophobicContact CB-CD2 4.48Å; F20-L127 HydrophobicContact CD1-CB 4.42Å; F20-L127 HydrophobicContact CD1-CD2 4.15Å; F20-L127 HydrophobicContact CD2-CB 4.48Å; F20-L127 HydrophobicContact CE1-CB 4.03Å; F20-L127 HydrophobicContact CE2-CB 4.09Å; F20-L127 HydrophobicContact CG-CD2 4.17Å; F20-L127 HydrophobicContact CZ-CB 3.85Å; L127-F131 HydrophobicContact CD1-CB 3.85Å; L127-F131 HydrophobicContact CD1-CD1 3.91Å; L127-F131 HydrophobicContact CD1-CD2 4.22Å; L127-F131 HydrophobicContact CD1-CE1 4.49Å; L127-F131 HydrophobicContact CD1-CG 3.74Å; L127-F131 HydrophobicContact CD2-CD1 4.33Å; L127-F132 HydrophobicContact CD2-CE1 4.5Å; L127-F132 HydrophobicContact CD2-CE2 3.81Å; L127-F132 HydrophobicContact CD2-CZ 3.46Å; L127-F132 VanDerWaalsContact CD2-CZ 3.46Å; L127-F132 HydrophobicContact CG-CE2 4.23Å; L127-F132 HydrophobicContact CG-CZ 4.34Å; L127-N188 WeakPolarHBondContact CA-O 3.48Å; L127-F189 HydrophobicContact CB-CE1 4.38Å; L127-F189 HydrophobicContact CD1-CD1 4.14Å; L127-F189 HydrophobicContact CD1-CE1 3.52Å; L127-F189 HydrophobicContact CD1-CZ 3.83Å; L127-F189 HydrophobicContact CG-CE1 4.45Å; L127-A229 PolarHBondContact O-N 3.38Å; L127-A229 VanDerWaalsContact O-N 3.12Å; L127-Y230 HydrophobicContact CD2-CD2 4.45Å; L127-Y230 PolarHBondContact N-O 3.12Å; L127-Y230 PolarHBondContact O-N 3.05Å
128S80.4Confident71.8Confident10 Ų1043.8 Ų43.87%0.0726%0.263CS..EExtended strand (participates in β ladder)trans-76.9150.8179.972.10000112.6N130 F131 N188 E227S128-N130 VanDerWaalsContact C-N 3.26Å; S128-N130 PolarHBondContact O-N 3.02Å; S128-F131 VanDerWaalsContact O-CB 3.26Å; S128-F131 WeakPolarHBondContact O-CB 3.14Å; S128-F131 PolarHBondContact O-N 3.21Å; S128-N188 PolarHBondContact N-O 2.98Å; S128-E227 CarbonylContact C-O 3.58Å; S128-E227 WeakPolarHBondContact CA-O 3.36Å
129S68.6Low69.3Low2 Ų246.7 Ų46.71%0.01427%0.271CS..THydrogen-bonded Turntrans-67.2-23.3-177.265.50000114.2F131 F132 C133 E227 W259S129-F131 PolarHBondContact O-N 3.15Å; S129-F131 VanDerWaalsContact O-N 3.14Å; S129-F132 PolarHBondContact O-N 3.31Å; S129-C133 PolarHBondContact O-N 3.44Å; S129-E227 WeakPolarHBondContact CB-O 3.29Å; S129-E227 PolarHBondContact N-O 3.31Å; S129-E227 PolarHBondContact OG-O 3.26Å; S129-W259 VanDerWaalsContact CB-CE2 3.47Å; S129-W259 WeakPolarHBondContact OG-CZ2 3.47Å
130N62.2Low66.7Low38 Ų3851 Ų5120%0.20330%0.298CS..Hα-helixtrans-60.3-24177.2-66.5-25.2000112.2S128 F132 C133 S134 I186 E227S128-N130 VanDerWaalsContact C-N 3.26Å; S128-N130 PolarHBondContact O-N 3.02Å; N130-F132 PolarHBondContact O-N 3.32Å; N130-C133 PolarHBondContact O-N 3.32Å; N130-S134 PolarHBondContact O-N 3.28Å; N130-S134 PolarHBondContact O-OG 2.92Å; N130-I186 HydrophobicContact CB-CG2 4.12Å; N130-E227 PolarHBondContact ND2-OE2 3.37Å
131F58.1Low64Low42 Ų4251.9 Ų51.918%0.18431%0.305CS..Hα-helixtrans-60.8-30.4174.1-162.4-106000113.3L16 L127 S128 S129 M149 N188L16-F131 HydrophobicContact CB-CE1 4Å; L16-F131 HydrophobicContact CD1-CD1 4.16Å; L16-F131 HydrophobicContact CD1-CE1 3.72Å; L16-F131 HydrophobicContact CD2-CE1 3.73Å; L16-F131 HydrophobicContact CD2-CZ 4.03Å; L16-F131 HydrophobicContact CG-CE1 3.99Å; L127-F131 HydrophobicContact CD1-CB 3.85Å; L127-F131 HydrophobicContact CD1-CD1 3.91Å; L127-F131 HydrophobicContact CD1-CD2 4.22Å; L127-F131 HydrophobicContact CD1-CE1 4.49Å; L127-F131 HydrophobicContact CD1-CG 3.74Å; L127-F131 HydrophobicContact CD2-CD1 4.33Å; S128-F131 VanDerWaalsContact O-CB 3.26Å; S128-F131 WeakPolarHBondContact O-CB 3.14Å; S128-F131 PolarHBondContact O-N 3.21Å; S129-F131 PolarHBondContact O-N 3.15Å; S129-F131 VanDerWaalsContact O-N 3.14Å; F131-M149 HydrophobicContact CE2-CE 4.41Å; F131-M149 HydrophobicContact CZ-CE 4.16Å; F131-M149 HydrophobicContact CZ-SD 4.36Å; F131-N188 HydrophobicContact CD2-CB 4.15Å
132F59.3Low61.3Low38 Ų3854.4 Ų54.417%0.16733%0.331CS..Hα-helixtrans-98.6-24.2-178.3-56.2-67000113.5H13 L16 L17 L127 S129 N130 A229 Y230H13-F132 HydrophobicContact CB-CD1 4.48Å; H13-F132 AromaticContact CD2-CD1 3.54Å; H13-F132 AromaticContact CD2-CE1 3.07Å; H13-F132 WeakPolarHBondContact CD2-CE1 3.4Å; H13-F132 AromaticContact CD2-CZ 3.54Å; H13-F132 AromaticContact CG-CD1 3.85Å; H13-F132 AromaticContact CG-CE1 3.85Å; H13-F132 AromaticContact NE2-CD1 3.78Å; H13-F132 AromaticContact NE2-CE1 3.36Å; H13-F132 WeakPolarHBondContact NE2-CE1 3.22Å; H13-F132 AromaticContact NE2-CE2 3.78Å; H13-F132 AromaticContact NE2-CZ 3.34Å; H13-F132 VanDerWaalsContact NE2-CZ 3.34Å; H13-F132 WeakPolarHBondContact NE2-CZ 3.41Å; L16-F132 HydrophobicContact CB-CE1 4.21Å; L16-F132 HydrophobicContact CD1-CD1 4.29Å; L16-F132 HydrophobicContact CD1-CE1 4.2Å; L17-F132 HydrophobicContact CD2-CZ 4.07Å; L127-F132 HydrophobicContact CD2-CE1 4.5Å; L127-F132 HydrophobicContact CD2-CE2 3.81Å; L127-F132 HydrophobicContact CD2-CZ 3.46Å; L127-F132 VanDerWaalsContact CD2-CZ 3.46Å; L127-F132 HydrophobicContact CG-CE2 4.23Å; L127-F132 HydrophobicContact CG-CZ 4.34Å; S129-F132 PolarHBondContact O-N 3.31Å; N130-F132 PolarHBondContact O-N 3.32Å; F132-A229 HydrophobicContact CD2-CB 4.31Å; F132-A229 HydrophobicContact CE2-CB 4.01Å; F132-Y230 AromaticContact CE2-CD2 3.87Å; F132-Y230 HydrophobicContact CE2-CD2 3.87Å; F132-Y230 AromaticContact CE2-CE2 3.81Å; F132-Y230 HydrophobicContact CE2-CE2 3.81Å; F132-Y230 HydrophobicContact CZ-CD2 4.12Å; F132-Y230 AromaticContact CZ-CE2 3.97Å; F132-Y230 HydrophobicContact CZ-CE2 3.97Å
133C52Low58.7Low71 Ų7159.3 Ų59.348%0.4836%0.363SS..Hα-helixtrans-92.4-9.1-171.7-630000114.5S129 N130 E135S129-C133 PolarHBondContact O-N 3.44Å; N130-C133 PolarHBondContact O-N 3.32Å; C133-E135 PolarHBondContact O-N 3.07Å
134S45.7Very low56Low86 Ų8661.6 Ų61.660%0.60138%0.379SS*.  trans-65.995.4174.3-74.50000110.6N130 V136N130-S134 PolarHBondContact O-N 3.28Å; N130-S134 PolarHBondContact O-OG 2.92Å; S134-V136 VanDerWaalsContact C-N 3.32Å; S134-V136 PolarHBondContact O-N 3.21Å
135E42Very low53.3Low150 Ų15063.6 Ų63.670%0.70139%0.39SS*.  trans-70.789.1167.5-63.2-151.8135.600108.8K9 C133 S137K9-E135 IonicContact NZ-OE1 3.18Å; K9-E135 PolarHBondContact NZ-OE1 3.08Å; C133-E135 PolarHBondContact O-N 3.07Å; E135-S137 PolarHBondContact O-N 3.39Å
136V36.3Very low50.8Low101 Ų10166.8 Ų66.861%0.61241%0.406SS*.  trans-69122.9164.1-174.80000107.3S134 N138S134-V136 VanDerWaalsContact C-N 3.32Å; S134-V136 PolarHBondContact O-N 3.21Å; V136-N138 PolarHBondContact O-N 2.91Å
137S33.2Very low48.2Very low108 Ų10869.6 Ų69.676%0.75543%0.425SS*.SBendtrans-66.42.8-166.239.80000116.3E135E135-S137 PolarHBondContact O-N 3.39Å
138N31.9Very low46.1Very low113 Ų11371.7 Ų71.760%0.60444%0.44SS*.  trans-125.9114.4-178.2-76.2-25000112.7V136 T140V136-N138 PolarHBondContact O-N 2.91Å; N138-T140 VanDerWaalsContact C-N 3.3Å; N138-T140 PolarHBondContact O-N 2.77Å
139P37.8Very low44.4Very low124 Ų12473.8 Ų73.881%0.80545%0.449SS*.THydrogen-bonded Turntrans-808.4-176.610.9-2000116.3
140T38.4Very low43.3Very low114 Ų11477.5 Ų77.570%0.69947%0.468SS*.THydrogen-bonded Turntrans-93.8-5.2-172.946.50000115.2N138N138-T140 VanDerWaalsContact C-N 3.3Å; N138-T140 PolarHBondContact O-N 2.77Å
141D38.5Very low42.4Very low82 Ų8279.8 Ų79.844%0.43948%0.481SS..  trans-117.841.2-157.9-91.449.3000112.5S144 L145D141-S144 WeakPolarHBondContact CA-OG 3.46Å; D141-S144 WeakPolarHBondContact CB-OG 3.28Å; D141-S144 PolarHBondContact O-N 3.26Å; D141-S144 PolarHBondContact O-OG 3.23Å; D141-S144 PolarHBondContact OD2-OG 3.12Å; D141-L145 PolarHBondContact O-N 2.75Å
142G40.2Very low42Very low53 Ų5385.2 Ų85.255%0.54650%0.504SS..Hα-helixtrans-56.9-45.8-179.100000114.8
143P41.9Very low41.3Very low104 Ų10486.9 Ų86.968%0.67552%0.517SS*.Hα-helixtrans-74.2-35.6176.5-11.125.8000112.8L145 L146 C147P143-L145 VanDerWaalsContact C-N 3.28Å; P143-L145 PolarHBondContact O-N 3.23Å; P143-L146 PolarHBondContact O-N 3.17Å; P143-C147 PolarHBondContact O-N 2.49Å
144S40.8Very low40.6Very low48 Ų4888.6 Ų88.634%0.33652%0.521SS..Hα-helixtrans-71.9-21.1179.854.10000112.6D141 S148D141-S144 WeakPolarHBondContact CA-OG 3.46Å; D141-S144 WeakPolarHBondContact CB-OG 3.28Å; D141-S144 PolarHBondContact O-N 3.26Å; D141-S144 PolarHBondContact O-OG 3.23Å; D141-S144 PolarHBondContact OD2-OG 3.12Å; S144-S148 WeakPolarHBondContact O-CB 3.39Å; S144-S148 PolarHBondContact O-N 3.39Å; S144-S148 PolarHBondContact O-OG 3.08Å
145L40.2Very low40.1Very low43 Ų4388.7 Ų88.723%0.22552%0.522CS..Hα-helixtrans-70.9-44.9172-120.5164.4000112D141 P143 S148 M149D141-L145 PolarHBondContact O-N 2.75Å; P143-L145 VanDerWaalsContact C-N 3.28Å; P143-L145 PolarHBondContact O-N 3.23Å; L145-S148 PolarHBondContact O-N 2.94Å; L145-S148 PolarHBondContact O-OG 3.06Å; L145-M149 HydrophobicContact CD2-CE 3.56Å; L145-M149 HydrophobicContact CD2-CG 4.24Å; L145-M149 HydrophobicContact CD2-SD 3.9Å; L145-M149 VanDerWaalsContact O-CB 3.27Å; L145-M149 WeakPolarHBondContact O-CB 3.33Å; L145-M149 WeakPolarHBondContact O-CG 3.34Å; L145-M149 PolarHBondContact O-N 2.84Å
146L39.5Very low39.6Very low67 Ų6785.4 Ų85.435%0.35152%0.515SS..Hα-helixtrans-66.1-44.2174.6-103.2158.9000111.2V15 P143 M149 L150V15-L146 HydrophobicContact CG1-CD1 4.25Å; V15-L146 HydrophobicContact CG1-CD2 4.34Å; P143-L146 PolarHBondContact O-N 3.17Å; L146-M149 PolarHBondContact O-N 3Å; L146-L150 HydrophobicContact CD2-CD1 4.03Å; L146-L150 HydrophobicContact CD2-CG 4.47Å; L146-L150 VanDerWaalsContact O-CB 3.26Å; L146-L150 WeakPolarHBondContact O-CB 3.41Å; L146-L150 VanDerWaalsContact O-CG 3.24Å; L146-L150 WeakPolarHBondContact O-CG 3.49Å; L146-L150 PolarHBondContact O-N 2.83Å
147C37.5Very low39.5Very low68 Ų6889.5 Ų89.546%0.45952%0.524SS..Hα-helixtrans-59.3-49.4170-83.70000110.8P143 M149 L150 D151P143-C147 PolarHBondContact O-N 2.49Å; C147-M149 PolarHBondContact O-N 3.23Å; C147-M149 VanDerWaalsContact O-N 3.15Å; C147-L150 CarbonylContact O-C 3.56Å; C147-L150 PolarHBondContact O-N 2.83Å; C147-L150 VanDerWaalsContact O-N 3.15Å; C147-D151 WeakPolarHBondContact O-CA 3.36Å; C147-D151 WeakPolarHBondContact O-CB 3.47Å; C147-D151 PolarHBondContact O-N 2.82Å; C147-D151 VanDerWaalsContact O-OD2 3.1Å
148S43.3Very low39.5Very low44 Ų4489.9 Ų89.931%0.30853%0.527SS..Hα-helixtrans-62.4-29.2177.976.20000113.4S144 L145 K152S144-S148 WeakPolarHBondContact O-CB 3.39Å; S144-S148 PolarHBondContact O-N 3.39Å; S144-S148 PolarHBondContact O-OG 3.08Å; L145-S148 PolarHBondContact O-N 2.94Å; L145-S148 PolarHBondContact O-OG 3.06Å; S148-K152 WeakPolarHBondContact O-CB 3.45Å; S148-K152 VanDerWaalsContact O-CD 3.26Å; S148-K152 WeakPolarHBondContact O-CD 3.37Å; S148-K152 WeakPolarHBondContact O-CG 3.49Å; S148-K152 PolarHBondContact O-N 3.41Å; S148-K152 VanDerWaalsContact O-N 3.09Å
149M46.1Very low39.5Very low53 Ų5394.2 Ų94.226%0.26154%0.544SS..Hα-helixtrans-79.9-33.7177.6-76.4176.2164.100112L16 F131 L145 L146 C147 V153L16-M149 HydrophobicContact CD2-CE 4.39Å; L16-M149 HydrophobicContact CD2-SD 3.52Å; L16-M149 VanDerWaalsContact CD2-SD 3.52Å; F131-M149 HydrophobicContact CE2-CE 4.41Å; F131-M149 HydrophobicContact CZ-CE 4.16Å; F131-M149 HydrophobicContact CZ-SD 4.36Å; L145-M149 HydrophobicContact CD2-CE 3.56Å; L145-M149 HydrophobicContact CD2-CG 4.24Å; L145-M149 HydrophobicContact CD2-SD 3.9Å; L145-M149 VanDerWaalsContact O-CB 3.27Å; L145-M149 WeakPolarHBondContact O-CB 3.33Å; L145-M149 WeakPolarHBondContact O-CG 3.34Å; L145-M149 PolarHBondContact O-N 2.84Å; L146-M149 PolarHBondContact O-N 3Å; C147-M149 PolarHBondContact O-N 3.23Å; C147-M149 VanDerWaalsContact O-N 3.15Å; M149-V153 VanDerWaalsContact O-CG2 3.23Å; M149-V153 WeakPolarHBondContact O-CG2 3.46Å
150L45.2Very low39.3Very low80 Ų8098 Ų9842%0.41955%0.548SS..Hα-helixtrans-83.1-39.8175.6-69166.7000111.7L146 C147 K152 V153 D154L146-L150 HydrophobicContact CD2-CD1 4.03Å; L146-L150 HydrophobicContact CD2-CG 4.47Å; L146-L150 VanDerWaalsContact O-CB 3.26Å; L146-L150 WeakPolarHBondContact O-CB 3.41Å; L146-L150 VanDerWaalsContact O-CG 3.24Å; L146-L150 WeakPolarHBondContact O-CG 3.49Å; L146-L150 PolarHBondContact O-N 2.83Å; C147-L150 CarbonylContact O-C 3.56Å; C147-L150 PolarHBondContact O-N 2.83Å; C147-L150 VanDerWaalsContact O-N 3.15Å; L150-K152 VanDerWaalsContact C-N 3.3Å; L150-K152 PolarHBondContact O-N 3.43Å; L150-V153 CarbonylContact O-C 3.33Å; L150-V153 VanDerWaalsContact O-CA 3.23Å; L150-V153 WeakPolarHBondContact O-CA 3.42Å; L150-V153 VanDerWaalsContact O-CB 3.26Å; L150-V153 WeakPolarHBondContact O-CB 3.36Å; L150-V153 PolarHBondContact O-N 2.8Å; L150-D154 WeakPolarHBondContact O-CB 3.4Å; L150-D154 PolarHBondContact O-N 3.18Å
151D42.4Very low38.8Very low87 Ų8797.5 Ų97.547%0.46555%0.549SS..Hα-helixtrans-64.7-32.3171.3-66-29.9000111.2C147 V153 D154 S155C147-D151 WeakPolarHBondContact O-CA 3.36Å; C147-D151 WeakPolarHBondContact O-CB 3.47Å; C147-D151 PolarHBondContact O-N 2.82Å; C147-D151 VanDerWaalsContact O-OD2 3.1Å; D151-V153 PolarHBondContact O-N 2.88Å; D151-D154 PolarHBondContact O-N 3.04Å; D151-S155 WeakPolarHBondContact O-CA 3.28Å; D151-S155 WeakPolarHBondContact O-CB 3.44Å; D151-S155 PolarHBondContact O-N 2.77Å
152K49.9Very low38.4Very low156 Ų156101.5 Ų101.568%0.67857%0.57SS**Hα-helixtrans-69.7-10.8167.4-81174.1-173.7-176.10113.4C84 S148 L150C84-K152 WeakPolarHBondContact CB-O 3.42Å; C84-K152 PolarHBondContact SG-O 2.85Å; S148-K152 WeakPolarHBondContact O-CB 3.45Å; S148-K152 VanDerWaalsContact O-CD 3.26Å; S148-K152 WeakPolarHBondContact O-CD 3.37Å; S148-K152 WeakPolarHBondContact O-CG 3.49Å; S148-K152 PolarHBondContact O-N 3.41Å; S148-K152 VanDerWaalsContact O-N 3.09Å; L150-K152 VanDerWaalsContact C-N 3.3Å; L150-K152 PolarHBondContact O-N 3.43Å
153V44.1Very low37.9Very low73 Ų73106.3 Ų106.344%0.44258%0.584SS.*Hα-helixtrans-104.2-26.1175.91730000111.4C84 M149 L150 D151C84-V153 PolarHBondContact SG-O 3.46Å; M149-V153 VanDerWaalsContact O-CG2 3.23Å; M149-V153 WeakPolarHBondContact O-CG2 3.46Å; L150-V153 CarbonylContact O-C 3.33Å; L150-V153 VanDerWaalsContact O-CA 3.23Å; L150-V153 WeakPolarHBondContact O-CA 3.42Å; L150-V153 VanDerWaalsContact O-CB 3.26Å; L150-V153 WeakPolarHBondContact O-CB 3.36Å; L150-V153 PolarHBondContact O-N 2.8Å; D151-V153 PolarHBondContact O-N 2.88Å
154D38.2Very low37.5Very low106 Ų106109.8 Ų109.857%0.56760%0.595SS**Hα-helixtrans-114.7-21.4-173.7-70.9-32.6000114.9L150 D151 C156L150-D154 WeakPolarHBondContact O-CB 3.4Å; L150-D154 PolarHBondContact O-N 3.18Å; D151-D154 PolarHBondContact O-N 3.04Å; D154-C156 PolarHBondContact O-N 2.94Å
155S35.6Very low37.1Very low89 Ų89112 Ų11262%0.62261%0.611SS**  trans-8776.4-174.2-159.40000111.8D151D151-S155 WeakPolarHBondContact O-CA 3.28Å; D151-S155 WeakPolarHBondContact O-CB 3.44Å; D151-S155 PolarHBondContact O-N 2.77Å
156C31.1Very low36.8Very low81 Ų81114.4 Ų114.455%0.54763%0.632SS.*  trans-13068.1161.6-84.60000109.5C84 D154C84-C156 PolarHBondContact O-SG 2.81Å; D154-C156 PolarHBondContact O-N 2.94Å
157K34.5Very low36.5Very low186 Ų186118.8 Ų118.881%0.80966%0.655SS**  trans-137.2115.7167.4-70.4-173.2178.4172.20110.2
158S32.8Very low36.2Very low117 Ų117118.9 Ų118.982%0.81867%0.668SS**  trans65.3102.1168.370.80000118.9
159E32.7Very low35.8Very low203 Ų203124 Ų12495%0.94970%0.697SS**  trans-103.7115.4143.1-77-173.8163.800108.3
160K32.6Very low35.1Very low204 Ų204130.3 Ų130.389%0.88773%0.726SS**  trans-92.8127.8161.8-98-178.7175.4178.30107.5
161S28.2Very low34.6Very low103 Ų103131.3 Ų131.372%0.7275%0.746SS**  trans-46137.3169.552.60000113.6
162N30.7Very low34.3Very low166 Ų166131.9 Ų131.989%0.88876%0.763SS**  trans-151122.8142-99.6-11.8000110.1
163D28Very low33.3Very low155 Ų155130.6 Ų130.683%0.82977%0.77SS**  trans-58.1144.6171.5-69.3-52.8000112.1
164L34.2Very low32.7Very low176 Ų176131.5 Ų131.592%0.92179%0.785SS**  trans-155.4128143.6-104.1141.6000111.6
165S32.8Very low32.4Very low95 Ų95136.2 Ų136.266%0.66480%0.801SS**  trans-69.5156.3-172.352.30000117.1
166S32.8Very low32Very low94 Ų94140.7 Ų140.766%0.65781%0.812SS**  107.7132127.476.50000120.3
167N34Very low31.7Very low158 Ų158144.8 Ų144.885%0.84583%0.828SS**  trans78.3117.5156.2-53.3-22.1000116.4
168G30.7Very low31.4Very low71 Ų71140.4 Ų140.473%0.73283%0.827SS**  cis115.295.11700000109.7
169V36.4Very low31.1Very low150 Ų150142 Ų14291%0.90983%0.831SS**  trans-153.1128.8154.2-179.20000109.1
170Q31.5Very low30.8Very low186 Ų186136.9 Ų136.987%0.86982%0.818SS**  trans-90.9164.1178.8-71.7174.7-14.300112.8
171A33.7Very low30.5Very low102 Ų102135.5 Ų135.584%0.84382%0.82SS**  trans102.6103.414200000119
172A35.1Very low30.4Very low99 Ų99134.9 Ų134.982%0.81882%0.822SS**  171.3133.7106.100000111.1
173P30.4Very low30.1Very low129 Ų129136 Ų13684%0.83882%0.822SS**  trans-102.4139.1177.236.2-27.2000112.1
174A31.6Very low30.1Very low92 Ų92137.6 Ų137.676%0.7683%0.826SS**  trans174.8113.1148.800000111.4
175K32.1Very low30.2Very low205 Ų205133.8 Ų133.889%0.89181%0.81SS**  158.8106124.5-86.3176.4-178.2-178.60110
176E26Very low30.9Very low183 Ų183133.9 Ų133.986%0.85580%0.803SS**  trans-56151161.9-68.3167.6145.600110.3
177N26Very low31.9Very low166 Ų166130.7 Ų130.789%0.88878%0.779SS**  trans96.660.8-175.7-53.6-27.6000116.6
178A28.2Very low33.6Very low95 Ų95125.5 Ų125.579%0.78575%0.751SS**  trans-156.121.4159.800000114.8S180A178-S180 PolarHBondContact O-N 2.91Å
179V25.6Very low36Very low149 Ų149124.9 Ų124.990%0.90373%0.729SS**  trans-94.270.9-175.1-168.60000111
180S26.2Very low38.4Very low97 Ų97121.2 Ų121.268%0.67870%0.701SS**SBendtrans-175.9100.4157.157.20000108.5A178A178-S180 PolarHBondContact O-N 2.91Å
181N25.9Very low41.3Very low174 Ų174113.1 Ų113.193%0.9366%0.663SS**SBendtrans150.819.5157.7-76.7-13.6000115.7
182A25.7Very low44.2Very low91 Ų91108.3 Ų108.375%0.75262%0.623SS**SBendtrans-124.6133.2170.500000109.7
183E25.4Very low47.1Very low189 Ų189103.6 Ų103.688%0.88358%0.584SS**  trans93.355.4175.2-53.8177.3179.100117.7
184M27.7Very low50.3Low188 Ų18897.5 Ų97.593%0.92654%0.544SS*.  trans-102.295144.2-95.1-178.2174.200107.9I186M184-I186 PolarHBondContact O-N 3.12Å
185T36.5Very low53.4Low96 Ų9693.1 Ų93.159%0.58951%0.508SS*.  trans-59.5115.8166.935.40000108.4T187T185-T187 PolarHBondContact O-N 3.36Å
186I48.1Very low56.4Low98 Ų9885.5 Ų85.550%0.50347%0.474SS..  trans-61101.8-173.2-61.7163.4000109.3N130 M184 N188N130-I186 HydrophobicContact CB-CG2 4.12Å; M184-I186 PolarHBondContact O-N 3.12Å; I186-N188 PolarHBondContact O-N 3.08Å
187T53.5Low59.7Low26 Ų2676.8 Ų76.816%0.1643%0.434CS..  trans-69.3118.1167.544.80000108.5N81 T185 F189 H190N81-T187 HydrophobicContact CB-CG2 4.13Å; N81-T187 VanDerWaalsContact CG-CG2 3.42Å; N81-T187 WeakPolarHBondContact ND2-CG2 3.46Å; T185-T187 PolarHBondContact O-N 3.36Å; T187-F189 PolarHBondContact O-N 3.49Å; T187-H190 PolarHBondContact OG1-CE1 3.41Å; T187-H190 PolarHBondContact OG1-NE2 2.83Å; T187-H190 VanDerWaalsContact OG1-NE2 3.12Å
188N69.1Low62.8Low50 Ų5072.2 Ų72.227%0.26741%0.414SS..SBendtrans-72.3-20179-67.3-41.6000113L127 S128 F131 I186L127-N188 WeakPolarHBondContact CA-O 3.48Å; S128-N188 PolarHBondContact N-O 2.98Å; F131-N188 HydrophobicContact CD2-CB 4.15Å; I186-N188 PolarHBondContact O-N 3.08Å
189F81.4Confident65.8Low58 Ų5871.6 Ų71.625%0.25440%0.404SS..EExtended strand (participates in β ladder)trans-131136.1-175.9-57.7-81000112.2F20 V125 S126 L127 T187 Y191F20-F189 HydrophobicContact CD2-CD1 4.13Å; F20-F189 AromaticContact CD2-CE1 3.52Å; F20-F189 HydrophobicContact CD2-CE1 3.52Å; F20-F189 AromaticContact CE2-CD1 3.85Å; F20-F189 HydrophobicContact CE2-CD1 3.85Å; F20-F189 AromaticContact CE2-CE1 3.71Å; F20-F189 HydrophobicContact CE2-CE1 3.71Å; V125-F189 HydrophobicContact CG1-CD1 4.22Å; S126-F189 VanDerWaalsContact O-CA 3.28Å; S126-F189 WeakPolarHBondContact O-CA 3.14Å; L127-F189 HydrophobicContact CB-CE1 4.38Å; L127-F189 HydrophobicContact CD1-CD1 4.14Å; L127-F189 HydrophobicContact CD1-CE1 3.52Å; L127-F189 HydrophobicContact CD1-CZ 3.83Å; L127-F189 HydrophobicContact CG-CE1 4.45Å; T187-F189 PolarHBondContact O-N 3.49Å; F189-Y191 HydrophobicContact CB-CE2 3.63Å
190H87.2Confident68.9Low72 Ų7268.4 Ų68.433%0.33338%0.379SS..EExtended strand (participates in β ladder)trans-123.7142.4167.2-57.9-92.7000110.4V125 S126 T187 W192V125-H190 WeakPolarHBondContact CA-O 3.34Å; S126-H190 PolarHBondContact N-O 3.26Å; S126-H190 PolarHBondContact O-N 3.28Å; S126-H190 WeakPolarHBondContact OG-CB 3.5Å; S126-H190 PolarHBondContact OG-N 3.3Å; S126-H190 PolarHBondContact OG-O 3.31Å; T187-H190 PolarHBondContact OG1-CE1 3.41Å; T187-H190 PolarHBondContact OG1-NE2 2.83Å; T187-H190 VanDerWaalsContact OG1-NE2 3.12Å; H190-W192 HydrophobicContact CB-CE3 4.4Å; H190-W192 HydrophobicContact CB-CZ3 4.04Å
191Y91.4Very high72Confident16 Ų1665.6 Ų65.66%0.06337%0.366CS..EExtended strand (participates in β ladder)trans-122.6139.3-175.2-56.5-99.8000110.1H23 Q103 R104 T107 L123 A124 V125 F189H23-Y191 PolarHBondContact CE1-OH 3.39Å; Q103-Y191 PolarHBondContact NE2-O 3.4Å; R104-Y191 HydrophobicContact CB-CD2 3.76Å; R104-Y191 HydrophobicContact CB-CE2 4.07Å; R104-Y191 HydrophobicContact CB-CG 4.25Å; R104-Y191 HydrophobicContact CG-CD1 4.31Å; R104-Y191 HydrophobicContact CG-CD2 3.9Å; R104-Y191 HydrophobicContact CG-CE1 4.35Å; R104-Y191 HydrophobicContact CG-CE2 3.95Å; R104-Y191 HydrophobicContact CG-CG 4.11Å; T107-Y191 PolarHBondContact OG1-O 3.44Å; L123-Y191 HydrophobicContact CD1-CD1 4.15Å; A124-Y191 WeakPolarHBondContact O-CA 3.35Å; V125-Y191 HydrophobicContact CB-CD1 4.25Å; V125-Y191 HydrophobicContact CB-CE1 4.22Å; V125-Y191 HydrophobicContact CG1-CD1 3.81Å; V125-Y191 HydrophobicContact CG1-CE1 3.44Å; V125-Y191 VanDerWaalsContact CG1-CE1 3.44Å; V125-Y191 HydrophobicContact CG1-CG 4.5Å; V125-Y191 HydrophobicContact CG2-CD1 3.64Å; V125-Y191 HydrophobicContact CG2-CE1 3.73Å; F189-Y191 HydrophobicContact CB-CE2 3.63Å
192W94.8Very high75.2Confident2 Ų261.1 Ų61.11%0.00834%0.338CS..EExtended strand (participates in β ladder)trans-154.3161.4169.561.194.9000111.8A124 H190 L223 C231 Y247A124-W192 HydrophobicContact CB-CD2 3.87Å; A124-W192 HydrophobicContact CB-CG 4.09Å; A124-W192 HydrophobicContact CB-CZ2 3.81Å; A124-W192 VanDerWaalsContact CB-NE1 3.27Å; A124-W192 PolarHBondContact N-O 3.41Å; A124-W192 PolarHBondContact O-N 2.95Å; A124-W192 VanDerWaalsContact O-N 3.08Å; H190-W192 HydrophobicContact CB-CE3 4.4Å; H190-W192 HydrophobicContact CB-CZ3 4.04Å; W192-L223 HydrophobicContact CB-CD2 4.05Å; W192-L223 HydrophobicContact CD2-CD1 4.21Å; W192-L223 HydrophobicContact CD2-CD2 3.69Å; W192-L223 HydrophobicContact CD2-CG 4.47Å; W192-L223 HydrophobicContact CE3-CD2 3.75Å; W192-L223 HydrophobicContact CG-CD1 3.93Å; W192-L223 HydrophobicContact CG-CD2 3.83Å; W192-L223 HydrophobicContact CZ3-CD2 4.4Å; W192-C231 WeakPolarHBondContact CH2-SG 3.47Å; W192-C231 WeakPolarHBondContact CZ2-SG 3.18Å; W192-Y247 AromaticContact CE2-CE1 3.86Å; W192-Y247 AromaticContact CE2-CE2 3.99Å; W192-Y247 AromaticContact CE2-CZ 3.68Å; W192-Y247 HydrophobicContact CH2-CG 4.45Å; W192-Y247 AromaticContact CZ2-CD1 3.87Å; W192-Y247 HydrophobicContact CZ2-CD1 3.87Å; W192-Y247 AromaticContact CZ2-CD2 3.63Å; W192-Y247 HydrophobicContact CZ2-CD2 3.63Å; W192-Y247 AromaticContact CZ2-CE1 3.82Å; W192-Y247 HydrophobicContact CZ2-CE1 3.82Å; W192-Y247 AromaticContact CZ2-CE2 3.58Å; W192-Y247 HydrophobicContact CZ2-CE2 3.58Å; W192-Y247 AromaticContact CZ2-CG 3.78Å; W192-Y247 HydrophobicContact CZ2-CG 3.78Å; W192-Y247 AromaticContact CZ2-CZ 3.68Å; W192-Y247 AromaticContact NE1-CE1 3.54Å; W192-Y247 AromaticContact NE1-CE2 3.77Å; W192-Y247 AromaticContact NE1-CZ 3.15Å; W192-Y247 PolarHBondContact NE1-OH 2.96Å
193P96.7Very high78.5Confident0 Ų057 Ų570%030%0.303CS..EExtended strand (participates in β ladder)trans-86.8143.8175.12.915.8000111.6T107 F110 I111 V121 R122 V206 L208T107-P193 HydrophobicContact CG2-CG 4.23Å; F110-P193 HydrophobicContact CD1-CB 3.65Å; F110-P193 HydrophobicContact CD1-CG 3.42Å; F110-P193 VanDerWaalsContact CD1-CG 3.42Å; F110-P193 HydrophobicContact CE1-CB 3.82Å; F110-P193 HydrophobicContact CE1-CG 3.88Å; F110-P193 HydrophobicContact CG-CG 4.25Å; I111-P193 HydrophobicContact CD1-CB 4.31Å; I111-P193 HydrophobicContact CG1-CB 3.92Å; I111-P193 HydrophobicContact CG1-CG 4.46Å; V121-P193 HydrophobicContact CG1-CB 4.25Å; R122-P193 WeakPolarHBondContact O-CA 3.27Å; P193-V206 HydrophobicContact CB-CB 4.02Å; P193-V206 HydrophobicContact CB-CG2 4.24Å; P193-V206 HydrophobicContact CG-CB 3.91Å; P193-V206 HydrophobicContact CG-CG1 4.35Å; P193-V206 PolarHBondContact O-N 3.47Å; P193-L208 HydrophobicContact CG-CD1 3.68Å; P193-L208 HydrophobicContact CG-CD2 4.46Å; P193-L208 HydrophobicContact CG-CG 4.07Å
194E97.1Very high81.8Confident0 Ų048.3 Ų48.30%026%0.262CS..EExtended strand (participates in β ladder)trans-115.5136.1158.4-61.7-179146.500110V121 R122 A124 W203 H204 R246 Y247V121-E194 CarbonylContact C-O 3.57Å; V121-E194 VanDerWaalsContact CA-O 3.27Å; V121-E194 WeakPolarHBondContact CA-O 3.22Å; V121-E194 WeakPolarHBondContact CG1-O 3.37Å; R122-E194 HydrophobicContact CB-CB 4.2Å; R122-E194 PolarHBondContact N-O 3.31Å; R122-E194 PolarHBondContact O-N 2.87Å; A124-E194 HydrophobicContact CB-CG 4.37Å; E194-W203 HydrophobicContact CB-CE3 3.91Å; E194-H204 CarbonylContact C-O 3.57Å; E194-H204 WeakPolarHBondContact CA-O 3.19Å; E194-R246 IonicContact OE1-NE 3.17Å; E194-Y247 WeakPolarHBondContact CG-OH 3.18Å; E194-Y247 WeakPolarHBondContact OE1-CE2 3.47Å; E194-Y247 VanDerWaalsContact OE1-CZ 3.3Å; E194-Y247 PolarHBondContact OE1-OH 2.9Å
195V96.9Very high85.1Confident1 Ų139.4 Ų39.41%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-115.1134.7177.562.40000110.3L60 M119 V121 H204 V206L60-V195 HydrophobicContact CD1-CG1 4.19Å; L60-V195 HydrophobicContact CD1-CG2 4.37Å; L60-V195 HydrophobicContact CD2-CG1 3.6Å; L60-V195 HydrophobicContact CD2-CG2 4.43Å; M119-V195 HydrophobicContact CE-CG2 3.82Å; V121-V195 HydrophobicContact CG2-CB 4.44Å; V121-V195 HydrophobicContact CG2-CG2 4.19Å; V195-H204 HydrophobicContact CG1-CB 4.06Å; V195-H204 PolarHBondContact N-O 2.89Å; V195-H204 PolarHBondContact O-N 3Å; V195-V206 HydrophobicContact CB-CG2 4.11Å; V195-V206 HydrophobicContact CG1-CG2 3.63Å
196Y95.8Very high87.9Confident45 Ų4534.9 Ų34.918%0.17619%0.191CC..EExtended strand (participates in β ladder)trans-87.6125173.7-170.3-104.6000109.7Q120 G201 W203 R280Q120-Y196 PolarHBondContact O-N 2.82Å; Y196-G201 WeakPolarHBondContact OH-CA 3.34Å; Y196-W203 AromaticContact CD2-CD1 3.83Å; Y196-W203 AromaticContact CD2-CD2 3.85Å; Y196-W203 HydrophobicContact CD2-CD2 3.85Å; Y196-W203 AromaticContact CD2-CE2 3.6Å; Y196-W203 AromaticContact CD2-CG 3.97Å; Y196-W203 HydrophobicContact CD2-CG 3.97Å; Y196-W203 HydrophobicContact CD2-CZ2 4.13Å; Y196-W203 AromaticContact CD2-NE1 3.58Å; Y196-W203 HydrophobicContact CG-CD2 4.37Å; Y196-W203 HydrophobicContact CG-CZ2 4.24Å; Y196-R280 HydrophobicContact CD2-CG 4.34Å; Y196-R280 HydrophobicContact CE2-CG 3.72Å
197L94.2Very high90Very high0 Ų030.2 Ų30.20%017%0.167CC..EExtended strand (participates in β ladder)trans-103.1109.6173.6-68.2-179.7000108.9E56 Q57 L60 S199 Q200 G201 K202 Y215E56-L197 HydrophobicContact CB-CD2 4.39Å; Q57-L197 HydrophobicContact CG-CD1 4.02Å; Q57-L197 HydrophobicContact CG-CD2 4.29Å; L60-L197 HydrophobicContact CD2-CD1 4.49Å; L60-L197 HydrophobicContact CD2-CD2 3.98Å; L197-S199 VanDerWaalsContact C-N 3.25Å; L197-S199 PolarHBondContact O-N 2.83Å; L197-Q200 HydrophobicContact CB-CB 4.46Å; L197-Q200 PolarHBondContact O-N 3.19Å; L197-G201 PolarHBondContact O-N 3.2Å; L197-K202 PolarHBondContact N-O 3.44Å; L197-K202 VanDerWaalsContact N-O 3.11Å; L197-Y215 HydrophobicContact CD1-CD2 4.32Å; L197-Y215 HydrophobicContact CD1-CE2 3.79Å
198S91.6Very high91.8Very high69 Ų6929.1 Ų29.148%0.48316%0.16SC..G310 helixtrans-61-38.8-176.3-47.60000111.1E56 Q200 G201E56-S198 WeakPolarHBondContact OE1-CB 3.36Å; E56-S198 PolarHBondContact OE1-OG 3.34Å; E56-S198 PolarHBondContact OE2-N 3.05Å; E56-S198 PolarHBondContact OE2-OG 2.89Å; S198-Q200 PolarHBondContact O-N 3.36Å; S198-Q200 VanDerWaalsContact O-N 3.12Å; S198-G201 PolarHBondContact O-N 3.13Å
199S90.4Very high92.4Very high82 Ų8230.6 Ų30.657%0.57316%0.163SC*.G310 helixtrans-56.9-24.1175.755.90000114.9Q57 L197Q57-S199 PolarHBondContact NE2-OG 3.46Å; Q57-S199 VanDerWaalsContact NE2-OG 3.12Å; L197-S199 VanDerWaalsContact C-N 3.25Å; L197-S199 PolarHBondContact O-N 2.83Å
200Q90.8Very high92.2Very high82 Ų8229.6 Ų29.638%0.38316%0.163SC..G310 helixtrans-114.7-10.1-178.2-57.3-171.816.300113.3Q57 L197 S198 K202 H204Q57-Q200 VanDerWaalsContact NE2-NE2 3.16Å; L197-Q200 HydrophobicContact CB-CB 4.46Å; L197-Q200 PolarHBondContact O-N 3.19Å; S198-Q200 PolarHBondContact O-N 3.36Å; S198-Q200 VanDerWaalsContact O-N 3.12Å; Q200-K202 VanDerWaalsContact C-N 3.27Å; Q200-K202 PolarHBondContact O-N 2.89Å; Q200-H204 PolarHBondContact OE1-CE1 3.32Å; Q200-H204 PolarHBondContact OE1-NE2 2.94Å
201G91.9Very high92Very high38 Ų3832 Ų3239%0.39219%0.188SC..THydrogen-bonded Turntrans62.628.9-175.700000114Y196 L197 S198Y196-G201 WeakPolarHBondContact OH-CA 3.34Å; L197-G201 PolarHBondContact O-N 3.2Å; S198-G201 PolarHBondContact O-N 3.13Å
202K93.1Very high91.7Very high81 Ų8132.9 Ų32.935%0.35220%0.201SC..EExtended strand (participates in β ladder)trans-141.4146.9-171.5-68.3-179.9-173.2-1780113.6L197 Q200 H204 L287L197-K202 PolarHBondContact N-O 3.44Å; L197-K202 VanDerWaalsContact N-O 3.11Å; Q200-K202 VanDerWaalsContact C-N 3.27Å; Q200-K202 PolarHBondContact O-N 2.89Å; K202-H204 PolarHBondContact O-ND1 3.26Å; K202-L287 HydrophobicContact CD-CD2 4.22Å; K202-L287 HydrophobicContact CG-CD2 4.17Å
203W95.3Very high91.6Very high4 Ų436.4 Ų36.42%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-77.6135.7167.1-68.897.9000111.3Q120 R122 E194 Y196 R246Q120-W203 HydrophobicContact CB-CH2 4.5Å; R122-W203 HydrophobicContact CB-CH2 4.43Å; R122-W203 HydrophobicContact CB-CZ3 4.03Å; R122-W203 VanDerWaalsContact CD-CH2 3.49Å; R122-W203 HydrophobicContact CG-CE3 4.25Å; R122-W203 HydrophobicContact CG-CH2 3.52Å; R122-W203 HydrophobicContact CG-CZ2 4.11Å; R122-W203 HydrophobicContact CG-CZ3 3.6Å; R122-W203 VanDerWaalsContact NH1-NE1 3.17Å; E194-W203 HydrophobicContact CB-CE3 3.91Å; Y196-W203 AromaticContact CD2-CD1 3.83Å; Y196-W203 AromaticContact CD2-CD2 3.85Å; Y196-W203 HydrophobicContact CD2-CD2 3.85Å; Y196-W203 AromaticContact CD2-CE2 3.6Å; Y196-W203 AromaticContact CD2-CG 3.97Å; Y196-W203 HydrophobicContact CD2-CG 3.97Å; Y196-W203 HydrophobicContact CD2-CZ2 4.13Å; Y196-W203 AromaticContact CD2-NE1 3.58Å; Y196-W203 HydrophobicContact CG-CD2 4.37Å; Y196-W203 HydrophobicContact CG-CZ2 4.24Å; W203-R246 PolarHBondContact O-NH1 2.85Å
204H95.2Very high91.4Very high6 Ų637.8 Ų37.83%0.02823%0.232CC..EExtended strand (participates in β ladder)trans-121.6129.5178.1-66.971.2000109.8E194 V195 Q200 K202 Y215 S216 S217E194-H204 CarbonylContact C-O 3.57Å; E194-H204 WeakPolarHBondContact CA-O 3.19Å; V195-H204 HydrophobicContact CG1-CB 4.06Å; V195-H204 PolarHBondContact N-O 2.89Å; V195-H204 PolarHBondContact O-N 3Å; Q200-H204 PolarHBondContact OE1-CE1 3.32Å; Q200-H204 PolarHBondContact OE1-NE2 2.94Å; K202-H204 PolarHBondContact O-ND1 3.26Å; H204-Y215 HydrophobicContact CB-CD2 4.07Å; H204-Y215 AromaticContact CD2-CD2 3.73Å; H204-S216 CarbonylContact C-O 3.5Å; H204-S216 VanDerWaalsContact CA-O 3.22Å; H204-S216 WeakPolarHBondContact CA-O 3.33Å; H204-S217 PolarHBondContact CD2-N 2.93Å
205C95.2Very high91.2Very high2 Ų239.6 Ų39.61%0.01424%0.239CC..EExtended strand (participates in β ladder)trans-72.2136.3170.360.70000109.8Y215 S216 E218 L223 Y247C205-Y215 CarbonylContact O-C 3.55Å; C205-Y215 WeakPolarHBondContact O-CA 3.49Å; C205-Y215 WeakPolarHBondContact O-CB 3.41Å; C205-S216 PolarHBondContact N-O 2.94Å; C205-S216 PolarHBondContact O-N 3.29Å; C205-S216 PolarHBondContact SG-O 3.21Å; C205-E218 PolarHBondContact SG-O 3.1Å; C205-L223 HydrophobicContact CB-CD1 3.93Å; C205-Y247 HydrophobicContact CB-CE1 4.4Å
206V95.6Very high91.1Very high1 Ų140.9 Ų40.91%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-98.8130.2-178.11790000110.1I64 F110 P193 V195 L208I64-V206 HydrophobicContact CD1-CG1 3.73Å; I64-V206 HydrophobicContact CG1-CG1 3.86Å; F110-V206 HydrophobicContact CE1-CB 4.28Å; F110-V206 HydrophobicContact CE1-CG1 3.9Å; F110-V206 HydrophobicContact CE1-CG2 4.15Å; F110-V206 HydrophobicContact CE2-CG1 4.38Å; F110-V206 HydrophobicContact CZ-CG1 3.76Å; F110-V206 HydrophobicContact CZ-CG2 4.4Å; P193-V206 HydrophobicContact CB-CB 4.02Å; P193-V206 HydrophobicContact CB-CG2 4.24Å; P193-V206 HydrophobicContact CG-CB 3.91Å; P193-V206 HydrophobicContact CG-CG1 4.35Å; P193-V206 PolarHBondContact O-N 3.47Å; V195-V206 HydrophobicContact CB-CG2 4.11Å; V195-V206 HydrophobicContact CG1-CG2 3.63Å; V206-L208 HydrophobicContact CG1-CD2 3.73Å; V206-L208 HydrophobicContact CG1-CG 4.34Å
207N93Very high90.8Very high0 Ų040.4 Ų40.40%025%0.251CS..  trans-93.6103.8178.2-176.15.5000111.3Y209 S210 G212 P213 L214 L220N207-Y209 PolarHBondContact OD1-N 3.18Å; N207-S210 PolarHBondContact ND2-O 2.87Å; N207-S210 WeakPolarHBondContact OD1-CA 3.44Å; N207-S210 WeakPolarHBondContact OD1-CB 3.22Å; N207-S210 PolarHBondContact OD1-N 3.06Å; N207-S210 PolarHBondContact OD1-O 2.98Å; N207-G212 PolarHBondContact ND2-O 3.31Å; N207-P213 WeakPolarHBondContact CB-O 3.26Å; N207-P213 PolarHBondContact ND2-O 3.4Å; N207-L214 WeakPolarHBondContact CB-O 3.48Å; N207-L214 PolarHBondContact N-O 3.13Å; N207-L220 HydrophobicContact CB-CD1 3.61Å
208L90.5Very high90.6Very high3 Ų345.1 Ų45.12%0.01627%0.273CS..SBendtrans-90.6-13.1179.5-58.7-178.8000113.9F67 R68 Q106 F110 P193 V206F67-L208 HydrophobicContact CD1-CD2 4Å; F67-L208 HydrophobicContact CE1-CD1 4.3Å; F67-L208 HydrophobicContact CE1-CD2 4.21Å; R68-L208 WeakPolarHBondContact CG-O 3.07Å; Q106-L208 HydrophobicContact CG-CD1 4.48Å; F110-L208 HydrophobicContact CB-CD1 3.77Å; F110-L208 HydrophobicContact CB-CD2 4.18Å; F110-L208 HydrophobicContact CD1-CD1 4.48Å; F110-L208 HydrophobicContact CD1-CD2 4.19Å; F110-L208 HydrophobicContact CD2-CD2 3.55Å; F110-L208 HydrophobicContact CE2-CD2 3.93Å; F110-L208 HydrophobicContact CG-CD1 4.07Å; F110-L208 HydrophobicContact CG-CD2 3.69Å; F110-L208 HydrophobicContact CZ-CD2 4.41Å; P193-L208 HydrophobicContact CG-CD1 3.68Å; P193-L208 HydrophobicContact CG-CD2 4.46Å; P193-L208 HydrophobicContact CG-CG 4.07Å; V206-L208 HydrophobicContact CG1-CD2 3.73Å; V206-L208 HydrophobicContact CG1-CG 4.34Å
209Y81.6Confident90.4Very high80 Ų8042.7 Ų42.731%0.31426%0.256SS..SBendtrans-132.3-41.6-165.740-88.4000114.3R68 Q103 N207 F222 L223R68-Y209 PolarHBondContact NH2-O 3.43Å; R68-Y209 VanDerWaalsContact NH2-O 3.11Å; Q103-Y209 HydrophobicContact CG-CE1 4.38Å; Q103-Y209 VanDerWaalsContact NE2-CE1 3.29Å; Q103-Y209 VanDerWaalsContact NE2-CZ 3.33Å; Q103-Y209 PolarHBondContact NE2-OH 3.04Å; N207-Y209 PolarHBondContact OD1-N 3.18Å; Y209-F222 HydrophobicContact CD2-CD2 4.4Å; Y209-F222 HydrophobicContact CD2-CE2 4.09Å; Y209-F222 HydrophobicContact CD2-CZ 4.23Å; Y209-F222 HydrophobicContact CE1-CE2 4.16Å; Y209-F222 AromaticContact CE2-CD2 3.26Å; Y209-F222 HydrophobicContact CE2-CD2 3.26Å; Y209-F222 HydrophobicContact CE2-CE1 4.29Å; Y209-F222 AromaticContact CE2-CE2 3.03Å; Y209-F222 HydrophobicContact CE2-CE2 3.03Å; Y209-F222 HydrophobicContact CE2-CG 4.04Å; Y209-F222 AromaticContact CE2-CZ 3.57Å; Y209-F222 HydrophobicContact CE2-CZ 3.57Å; Y209-F222 AromaticContact CZ-CD2 3.61Å; Y209-F222 AromaticContact CZ-CE2 3.09Å; Y209-F222 AromaticContact CZ-CZ 3.83Å; Y209-F222 VanDerWaalsContact OH-CD2 3.29Å; Y209-F222 WeakPolarHBondContact OH-CD2 3.32Å; Y209-F222 WeakPolarHBondContact OH-CE2 3.34Å; Y209-L223 WeakPolarHBondContact OH-CD2 3.47Å
210S78.7Confident90.3Very high38 Ų3839.5 Ų39.527%0.26623%0.233SC..SBendtrans-79.5151.4-173.9177.30000112.9R68 N207 G212 F222R68-S210 PolarHBondContact NH1-O 3.18Å; R68-S210 VanDerWaalsContact NH2-C 3.34Å; R68-S210 PolarHBondContact NH2-O 2.84Å; N207-S210 PolarHBondContact ND2-O 2.87Å; N207-S210 WeakPolarHBondContact OD1-CA 3.44Å; N207-S210 WeakPolarHBondContact OD1-CB 3.22Å; N207-S210 PolarHBondContact OD1-N 3.06Å; N207-S210 PolarHBondContact OD1-O 2.98Å; S210-G212 PolarHBondContact O-N 3.4Å; S210-G212 PolarHBondContact OG-N 3.3Å; S210-F222 VanDerWaalsContact CB-CE1 3.46Å
211S81.6Confident90.1Very high123 Ų12341.9 Ų41.986%0.8624%0.244SC*.SBendtrans-67.8-7.3176.352.50000114.6
212G85.8Confident89.8Confident33 Ų3344.1 Ų44.134%0.3424%0.243SC..SBendtrans-68.4-165.7177.500000115.3N207 S210N207-G212 PolarHBondContact ND2-O 3.31Å; S210-G212 PolarHBondContact O-N 3.4Å; S210-G212 PolarHBondContact OG-N 3.3Å
213P91.9Very high89.6Confident76 Ų7640.8 Ų40.849%0.49423%0.229SC..  trans-57.5146.7-17925.5-34.3000111.2N207 Y215 L220N207-P213 WeakPolarHBondContact CB-O 3.26Å; N207-P213 PolarHBondContact ND2-O 3.4Å; P213-Y215 VanDerWaalsContact C-N 3.27Å; P213-Y215 PolarHBondContact O-N 2.97Å; P213-L220 HydrophobicContact CG-CD2 3.8Å
214L93.3Very high89.2Confident29 Ų2944.1 Ų44.115%0.15224%0.241CC..SBendtrans-65.4-32-176.6-65.2178.5000112.5N61 I64 R65 N207N61-L214 WeakPolarHBondContact OD1-CD1 3.32Å; I64-L214 HydrophobicContact CD1-CB 4.03Å; I64-L214 HydrophobicContact CG2-CB 4.18Å; I64-L214 HydrophobicContact CG2-CD2 3.84Å; I64-L214 HydrophobicContact CG2-CG 4.46Å; R65-L214 HydrophobicContact CG-CD1 3.77Å; R65-L214 HydrophobicContact CG-CD2 4.39Å; N207-L214 WeakPolarHBondContact CB-O 3.48Å; N207-L214 PolarHBondContact N-O 3.13Å
215Y93.9Very high88.8Confident38 Ų3846 Ų4615%0.14926%0.255CS..EExtended strand (participates in β ladder)trans-155.2158.5172.357.1-88.2000109.1L60 N61 I64 L197 H204 C205 P213L60-Y215 HydrophobicContact CD2-CD1 3.66Å; L60-Y215 HydrophobicContact CD2-CD2 4.21Å; L60-Y215 HydrophobicContact CD2-CE1 3.74Å; L60-Y215 HydrophobicContact CD2-CE2 4.3Å; L60-Y215 HydrophobicContact CD2-CG 3.91Å; L60-Y215 HydrophobicContact CG-CD1 4.07Å; L60-Y215 HydrophobicContact CG-CE1 4.11Å; N61-Y215 PolarHBondContact ND2-OH 3.46Å; N61-Y215 WeakPolarHBondContact OD1-CE1 3.49Å; I64-Y215 HydrophobicContact CD1-CD1 3.74Å; L197-Y215 HydrophobicContact CD1-CD2 4.32Å; L197-Y215 HydrophobicContact CD1-CE2 3.79Å; H204-Y215 HydrophobicContact CB-CD2 4.07Å; H204-Y215 AromaticContact CD2-CD2 3.73Å; C205-Y215 CarbonylContact O-C 3.55Å; C205-Y215 WeakPolarHBondContact O-CA 3.49Å; C205-Y215 WeakPolarHBondContact O-CB 3.41Å; P213-Y215 VanDerWaalsContact C-N 3.27Å; P213-Y215 PolarHBondContact O-N 2.97Å
216S93Very high88.3Confident28 Ų2849.3 Ų49.320%0.19627%0.273CS..EExtended strand (participates in β ladder)trans-149.5141.6-178.7175.20000111.2H204 C205 E218H204-S216 CarbonylContact C-O 3.5Å; H204-S216 VanDerWaalsContact CA-O 3.22Å; H204-S216 WeakPolarHBondContact CA-O 3.33Å; C205-S216 PolarHBondContact N-O 2.94Å; C205-S216 PolarHBondContact O-N 3.29Å; C205-S216 PolarHBondContact SG-O 3.21Å; S216-E218 VanDerWaalsContact C-N 3.33Å; S216-E218 VanDerWaalsContact CB-O 3.22Å; S216-E218 WeakPolarHBondContact CB-O 3.31Å; S216-E218 PolarHBondContact OG-N 3.06Å; S216-E218 PolarHBondContact OG-O 3.15Å
217S90.6Very high87.8Confident35 Ų3553.1 Ų53.125%0.24529%0.29CS..SBendtrans-70.2-35.4171.759.90000111.3H204H204-S217 PolarHBondContact CD2-N 2.93Å
218E88.8Confident87.5Confident99 Ų9953.6 Ų53.646%0.46329%0.293SS..SBendtrans-80.6143.3171.9-65-54.1135.300110.1C205 S216 L220 Q291C205-E218 PolarHBondContact SG-O 3.1Å; S216-E218 VanDerWaalsContact C-N 3.33Å; S216-E218 VanDerWaalsContact CB-O 3.22Å; S216-E218 WeakPolarHBondContact CB-O 3.31Å; S216-E218 PolarHBondContact OG-N 3.06Å; S216-E218 PolarHBondContact OG-O 3.15Å; E218-L220 PolarHBondContact O-N 3.03Å; E218-Q291 PolarHBondContact OE1-NE2 2.98Å; E218-Q291 PolarHBondContact OE2-NE2 3.43Å
219P87.9Confident87.3Confident19 Ų1953.5 Ų53.512%0.12329%0.292CS..PPolyproline II helixtrans-59.2129.317928.7-38000110.4R224 R246 Y247P219-R224 HydrophobicContact CB-CG 4.07Å; P219-R224 HydrophobicContact CG-CG 4.35Å; P219-R246 WeakPolarHBondContact CG-O 3.5Å; P219-Y247 HydrophobicContact CB-CD1 3.64Å; P219-Y247 HydrophobicContact CB-CE1 3.89Å
220L89Confident87.8Confident15 Ų1549.7 Ų49.78%0.07928%0.277CS..PPolyproline II helixtrans-64.3137.7172.9-61.1165.5000109.3N207 P213 E218 F222 L223N207-L220 HydrophobicContact CB-CD1 3.61Å; P213-L220 HydrophobicContact CG-CD2 3.8Å; E218-L220 PolarHBondContact O-N 3.03Å; L220-F222 HydrophobicContact CB-CD1 4.02Å; L220-F222 HydrophobicContact CB-CE1 3.58Å; L220-F222 HydrophobicContact CB-CE2 4.23Å; L220-F222 HydrophobicContact CB-CZ 3.73Å; L220-F222 HydrophobicContact CD1-CE1 3.75Å; L220-F222 HydrophobicContact CD1-CE2 4.27Å; L220-F222 HydrophobicContact CD1-CZ 3.38Å; L220-F222 HydrophobicContact CG-CE1 4.16Å; L220-F222 HydrophobicContact CG-CZ 4.15Å; L220-F222 PolarHBondContact O-N 3.5Å; L220-F222 VanDerWaalsContact O-N 3.12Å; L220-L223 HydrophobicContact CB-CD1 4.2Å; L220-L223 HydrophobicContact CB-CG 4.28Å; L220-L223 HydrophobicContact CD1-CD1 4.36Å; L220-L223 WeakPolarHBondContact O-CA 3.37Å; L220-L223 WeakPolarHBondContact O-CB 3.27Å; L220-L223 PolarHBondContact O-N 2.98Å
221E86.3Confident88.5Confident132 Ų13247.9 Ų47.962%0.61727%0.265SS*.G310 helixtrans-56.5-36.8-170.8-168.559.4-155.600113.1L223 R224E221-L223 PolarHBondContact O-N 3.42Å; E221-R224 WeakPolarHBondContact O-CB 3.25Å; E221-R224 PolarHBondContact O-N 3.01Å; E221-R224 WeakPolarHBondContact OE2-CD 3.42Å; E221-R224 IonicContact OE2-NH1 2.81Å; E221-R224 PolarHBondContact OE2-NH1 3.33Å
222F86Confident89.2Confident84 Ų8442 Ų4237%0.36822%0.224SC..G310 helixtrans-69.4-16.8177.464.7-103.6000114.3Y209 S210 L220 R224Y209-F222 HydrophobicContact CD2-CD2 4.4Å; Y209-F222 HydrophobicContact CD2-CE2 4.09Å; Y209-F222 HydrophobicContact CD2-CZ 4.23Å; Y209-F222 HydrophobicContact CE1-CE2 4.16Å; Y209-F222 AromaticContact CE2-CD2 3.26Å; Y209-F222 HydrophobicContact CE2-CD2 3.26Å; Y209-F222 HydrophobicContact CE2-CE1 4.29Å; Y209-F222 AromaticContact CE2-CE2 3.03Å; Y209-F222 HydrophobicContact CE2-CE2 3.03Å; Y209-F222 HydrophobicContact CE2-CG 4.04Å; Y209-F222 AromaticContact CE2-CZ 3.57Å; Y209-F222 HydrophobicContact CE2-CZ 3.57Å; Y209-F222 AromaticContact CZ-CD2 3.61Å; Y209-F222 AromaticContact CZ-CE2 3.09Å; Y209-F222 AromaticContact CZ-CZ 3.83Å; Y209-F222 VanDerWaalsContact OH-CD2 3.29Å; Y209-F222 WeakPolarHBondContact OH-CD2 3.32Å; Y209-F222 WeakPolarHBondContact OH-CE2 3.34Å; S210-F222 VanDerWaalsContact CB-CE1 3.46Å; L220-F222 HydrophobicContact CB-CD1 4.02Å; L220-F222 HydrophobicContact CB-CE1 3.58Å; L220-F222 HydrophobicContact CB-CE2 4.23Å; L220-F222 HydrophobicContact CB-CZ 3.73Å; L220-F222 HydrophobicContact CD1-CE1 3.75Å; L220-F222 HydrophobicContact CD1-CE2 4.27Å; L220-F222 HydrophobicContact CD1-CZ 3.38Å; L220-F222 HydrophobicContact CG-CE1 4.16Å; L220-F222 HydrophobicContact CG-CZ 4.15Å; L220-F222 PolarHBondContact O-N 3.5Å; L220-F222 VanDerWaalsContact O-N 3.12Å; F222-R224 VanDerWaalsContact C-N 3.34Å
223L88.7Confident89.7Confident12 Ų1240.5 Ų40.56%0.06321%0.208CC..G310 helixtrans-85-14.7173.1-64.4177.7000111.7W192 C205 Y209 L220 E221 Y247W192-L223 HydrophobicContact CB-CD2 4.05Å; W192-L223 HydrophobicContact CD2-CD1 4.21Å; W192-L223 HydrophobicContact CD2-CD2 3.69Å; W192-L223 HydrophobicContact CD2-CG 4.47Å; W192-L223 HydrophobicContact CE3-CD2 3.75Å; W192-L223 HydrophobicContact CG-CD1 3.93Å; W192-L223 HydrophobicContact CG-CD2 3.83Å; W192-L223 HydrophobicContact CZ3-CD2 4.4Å; C205-L223 HydrophobicContact CB-CD1 3.93Å; Y209-L223 WeakPolarHBondContact OH-CD2 3.47Å; L220-L223 HydrophobicContact CB-CD1 4.2Å; L220-L223 HydrophobicContact CB-CG 4.28Å; L220-L223 HydrophobicContact CD1-CD1 4.36Å; L220-L223 WeakPolarHBondContact O-CA 3.37Å; L220-L223 WeakPolarHBondContact O-CB 3.27Å; L220-L223 PolarHBondContact O-N 2.98Å; E221-L223 PolarHBondContact O-N 3.42Å; L223-Y247 HydrophobicContact CB-CD1 3.89Å; L223-Y247 HydrophobicContact CB-CE1 4.12Å; L223-Y247 HydrophobicContact CD1-CE1 3.92Å
224R87.8Confident90Very high74 Ų7436.9 Ų36.928%0.27918%0.184SC..  trans-82.9140178-54.3179.476.8179.44.4108.7P219 E221 F222 Y247 T249P219-R224 HydrophobicContact CB-CG 4.07Å; P219-R224 HydrophobicContact CG-CG 4.35Å; E221-R224 WeakPolarHBondContact O-CB 3.25Å; E221-R224 PolarHBondContact O-N 3.01Å; E221-R224 WeakPolarHBondContact OE2-CD 3.42Å; E221-R224 IonicContact OE2-NH1 2.81Å; E221-R224 PolarHBondContact OE2-NH1 3.33Å; F222-R224 VanDerWaalsContact C-N 3.34Å; R224-Y247 WeakPolarHBondContact CA-O 3.22Å; R224-Y247 WeakPolarHBondContact CB-O 3.47Å; R224-T249 HydrophobicContact CB-CG2 3.85Å
225S86.5Confident90.1Very high44 Ų4435.5 Ų35.531%0.30818%0.177SC..BIsolated β-bridgetrans-142138.7-179.2173.50000111.3E227 T249S225-E227 PolarHBondContact O-N 3.46Å; S225-E227 PolarHBondContact OG-N 3.45Å; S225-E227 VanDerWaalsContact OG-N 3.09Å; S225-T249 PolarHBondContact O-OG1 3Å
226D84.9Confident90.2Very high73 Ų7335.2 Ų35.239%0.3918%0.178SC..THydrogen-bonded Turntrans-70.9-14.8172.1-70.7-16.6000112.9T249 L251 W259D226-T249 WeakPolarHBondContact CA-OG1 3.49Å; D226-T249 WeakPolarHBondContact OD1-CB 3.28Å; D226-T249 WeakPolarHBondContact OD1-CG2 3.28Å; D226-T249 PolarHBondContact OD1-OG1 3.37Å; D226-L251 HydrophobicContact CB-CB 4.41Å; D226-L251 WeakPolarHBondContact OD2-CD1 3.49Å; D226-W259 WeakPolarHBondContact O-CH2 3.35Å; D226-W259 WeakPolarHBondContact O-CZ3 3.13Å
227E84.2Confident90.3Very high81 Ų8138 Ų3838%0.37919%0.188SC..THydrogen-bonded Turntrans-108.99.7-176.6-60.1-166.915500113.4S128 S129 N130 S225 A229S128-E227 CarbonylContact C-O 3.58Å; S128-E227 WeakPolarHBondContact CA-O 3.36Å; S129-E227 WeakPolarHBondContact CB-O 3.29Å; S129-E227 PolarHBondContact N-O 3.31Å; S129-E227 PolarHBondContact OG-O 3.26Å; N130-E227 PolarHBondContact ND2-OE2 3.37Å; S225-E227 PolarHBondContact O-N 3.46Å; S225-E227 PolarHBondContact OG-N 3.45Å; S225-E227 VanDerWaalsContact OG-N 3.09Å; E227-A229 PolarHBondContact O-N 3.12Å
228M86.3Confident90.5Very high9 Ų937.9 Ų37.94%0.04418%0.184CC..EExtended strand (participates in β ladder)trans-75.1112.1-176.7-177143.647.700111.9C231 T244 Y247 A248M228-C231 HydrophobicContact CG-CB 4.46Å; M228-C231 HydrophobicContact SD-CB 3.79Å; M228-T244 HydrophobicContact CG-CG2 4.27Å; M228-Y247 WeakPolarHBondContact CE-O 3.48Å; M228-A248 HydrophobicContact CE-CB 4.44Å
229A87.1Confident90.8Very high1 Ų135.2 Ų35.21%0.00817%0.172CC..EExtended strand (participates in β ladder)trans-87.5-48.3175.700000110.8L127 F132 E227 W259 R260L127-A229 PolarHBondContact O-N 3.38Å; L127-A229 VanDerWaalsContact O-N 3.12Å; F132-A229 HydrophobicContact CD2-CB 4.31Å; F132-A229 HydrophobicContact CE2-CB 4.01Å; E227-A229 PolarHBondContact O-N 3.12Å; A229-W259 HydrophobicContact CB-CB 4.03Å; A229-R260 WeakPolarHBondContact O-CD 3.3Å; A229-R260 VanDerWaalsContact O-CG 3.27Å; A229-R260 WeakPolarHBondContact O-CG 3.39Å; A229-R260 PolarHBondContact O-NH1 2.85Å
230Y91.2Very high91.2Very high0 Ų034.5 Ų34.50%017%0.167CC..EExtended strand (participates in β ladder)trans-137.5140.8-178.7-64.4-94.2000110.8H13 L17 S126 L127 F132 R260 I261 W266H13-Y230 PolarHBondContact CE1-OH 3.38Å; H13-Y230 AromaticContact NE2-CE2 3.33Å; H13-Y230 VanDerWaalsContact NE2-CE2 3.33Å; H13-Y230 WeakPolarHBondContact NE2-CE2 3.29Å; H13-Y230 AromaticContact NE2-CZ 3.58Å; H13-Y230 PolarHBondContact NE2-OH 3.16Å; H13-Y230 VanDerWaalsContact NE2-OH 3.13Å; L17-Y230 HydrophobicContact CD1-CE1 3.93Å; L17-Y230 HydrophobicContact CD1-CE2 4.35Å; L17-Y230 WeakPolarHBondContact CD1-OH 3.26Å; L17-Y230 HydrophobicContact CD2-CD1 3.87Å; L17-Y230 HydrophobicContact CD2-CD2 3.65Å; L17-Y230 HydrophobicContact CD2-CE1 3.72Å; L17-Y230 HydrophobicContact CD2-CE2 3.55Å; L17-Y230 HydrophobicContact CD2-CG 3.81Å; L17-Y230 HydrophobicContact CG-CE1 4.5Å; L17-Y230 HydrophobicContact CG-CE2 4.49Å; S126-Y230 CarbonylContact C-O 3.39Å; S126-Y230 WeakPolarHBondContact CA-O 3.48Å; L127-Y230 HydrophobicContact CD2-CD2 4.45Å; L127-Y230 PolarHBondContact N-O 3.12Å; L127-Y230 PolarHBondContact O-N 3.05Å; F132-Y230 AromaticContact CE2-CD2 3.87Å; F132-Y230 HydrophobicContact CE2-CD2 3.87Å; F132-Y230 AromaticContact CE2-CE2 3.81Å; F132-Y230 HydrophobicContact CE2-CE2 3.81Å; F132-Y230 HydrophobicContact CZ-CD2 4.12Å; F132-Y230 AromaticContact CZ-CE2 3.97Å; F132-Y230 HydrophobicContact CZ-CE2 3.97Å; Y230-R260 HydrophobicContact CD2-CG 4.48Å; Y230-R260 HydrophobicContact CE1-CB 4.32Å; Y230-R260 HydrophobicContact CE1-CG 4.11Å; Y230-R260 HydrophobicContact CE2-CB 4.36Å; Y230-R260 HydrophobicContact CE2-CG 3.91Å; Y230-R260 WeakPolarHBondContact OH-CA 3.49Å; Y230-I261 PolarHBondContact OH-N 3.09Å; Y230-W266 HydrophobicContact CD1-CZ2 4.28Å; Y230-W266 AromaticContact CD1-NE1 3.88Å; Y230-W266 HydrophobicContact CE1-CZ2 4.5Å; Y230-W266 AromaticContact CE1-NE1 3.72Å
231C93.6Very high91.5Very high0 Ų034.3 Ų34.30%017%0.166CC..EExtended strand (participates in β ladder)trans-136.2118169-167.80000109V125 W192 M228 V243 T244V125-C231 CarbonylContact O-C 3.58Å; V125-C231 VanDerWaalsContact O-CA 3.32Å; V125-C231 WeakPolarHBondContact O-CA 3.37Å; W192-C231 WeakPolarHBondContact CH2-SG 3.47Å; W192-C231 WeakPolarHBondContact CZ2-SG 3.18Å; M228-C231 HydrophobicContact CG-CB 4.46Å; M228-C231 HydrophobicContact SD-CB 3.79Å; C231-V243 HydrophobicContact CB-CG2 4.22Å; C231-V243 PolarHBondContact O-N 3.22Å; C231-T244 PolarHBondContact N-OG1 2.97Å; C231-T244 PolarHBondContact O-N 3.34Å; C231-T244 PolarHBondContact O-OG1 3.45Å
232L96Very high91.8Very high0 Ų029.5 Ų29.50%014%0.144CC..EExtended strand (participates in β ladder)trans-113.1139.9179.1-64.5-178.2000110F20 L21 A124 V125 F234 K241 D242 W266 L270F20-L232 HydrophobicContact CD1-CD1 3.82Å; F20-L232 HydrophobicContact CD1-CG 4.39Å; F20-L232 HydrophobicContact CE1-CB 4.27Å; F20-L232 HydrophobicContact CE1-CD1 3.65Å; F20-L232 HydrophobicContact CE1-CG 3.73Å; F20-L232 HydrophobicContact CZ-CD1 4.5Å; F20-L232 HydrophobicContact CZ-CG 4.43Å; L21-L232 HydrophobicContact CB-CD1 4.44Å; L21-L232 HydrophobicContact CD1-CD1 3.8Å; A124-L232 CarbonylContact C-O 3.58Å; A124-L232 WeakPolarHBondContact CA-O 3.31Å; V125-L232 PolarHBondContact N-O 2.97Å; V125-L232 PolarHBondContact O-N 2.7Å; L232-F234 HydrophobicContact CB-CE2 3.77Å; L232-F234 HydrophobicContact CB-CZ 3.82Å; L232-F234 HydrophobicContact CD1-CZ 4.06Å; L232-K241 CarbonylContact C-O 3.54Å; L232-K241 WeakPolarHBondContact CA-O 3.48Å; L232-D242 HydrophobicContact CD2-CB 4.01Å; L232-W266 HydrophobicContact CD1-CH2 4.13Å; L232-W266 HydrophobicContact CD1-CZ2 4.03Å; L232-W266 HydrophobicContact CD2-CZ2 4.06Å; L232-W266 HydrophobicContact CG-CZ2 4.5Å; L232-L270 HydrophobicContact CD2-CD2 4.1Å
233S96.9Very high92.2Very high1 Ų125.5 Ų25.51%0.00713%0.127CC..EExtended strand (participates in β ladder)trans-112135.417268.30000110.5L123 A240 K241 V243L123-S233 CarbonylContact O-C 3.12Å; L123-S233 VanDerWaalsContact O-CA 3.31Å; L123-S233 WeakPolarHBondContact O-CA 3.4Å; S233-A240 CarbonylContact O-C 3.57Å; S233-A240 WeakPolarHBondContact O-CA 3.29Å; S233-K241 PolarHBondContact N-O 3.5Å; S233-K241 PolarHBondContact O-N 2.87Å; S233-K241 PolarHBondContact OG-O 3.31Å; S233-V243 WeakPolarHBondContact OG-CG1 3.42Å
234F97.4Very high92.3Very high0 Ų025 Ų250%012%0.124CC..EExtended strand (participates in β ladder)trans-116.6117-178.6-58.6-87000110.8L21 G24 Q25 R115 R122 L123 V125 L232 M239 A240L21-F234 HydrophobicContact CD1-CE1 3.87Å; L21-F234 HydrophobicContact CD1-CZ 4.21Å; G24-F234 VanDerWaalsContact CA-CE2 3.43Å; Q25-F234 HydrophobicContact CB-CD1 4.42Å; Q25-F234 HydrophobicContact CB-CE1 4.38Å; Q25-F234 HydrophobicContact CG-CD1 3.68Å; Q25-F234 HydrophobicContact CG-CE1 3.53Å; R115-F234 PolarHBondContact NH2-O 3.48Å; R122-F234 CarbonylContact C-O 3.49Å; R122-F234 WeakPolarHBondContact CA-O 3.49Å; L123-F234 HydrophobicContact CB-CB 4.47Å; L123-F234 PolarHBondContact N-O 3.41Å; L123-F234 WeakPolarHBondContact O-CD2 3.06Å; L123-F234 PolarHBondContact O-N 3.33Å; V125-F234 HydrophobicContact CG2-CD2 4.3Å; V125-F234 HydrophobicContact CG2-CE2 4.13Å; L232-F234 HydrophobicContact CB-CE2 3.77Å; L232-F234 HydrophobicContact CB-CZ 3.82Å; L232-F234 HydrophobicContact CD1-CZ 4.06Å; F234-M239 VanDerWaalsContact CA-O 3.28Å; F234-M239 WeakPolarHBondContact CA-O 3.45Å; F234-A240 HydrophobicContact CD1-CB 3.93Å; F234-A240 HydrophobicContact CE1-CB 3.69Å
235D95.9Very high92.3Very high1 Ų123.5 Ų23.51%0.00512%0.121CC..  trans-78.9-173.2-176.663.515.5000113.7S28 R115 R122 E237 H238 M239S28-D235 PolarHBondContact OG-O 2.83Å; R115-D235 PolarHBondContact NH2-O 3.27Å; R122-D235 HydrophobicContact CG-CB 3.8Å; D235-E237 PolarHBondContact O-N 2.95Å; D235-E237 PolarHBondContact OD1-N 2.96Å; D235-H238 PolarHBondContact O-N 3.39Å; D235-H238 PolarHBondContact OD1-N 3.16Å; D235-M239 PolarHBondContact N-O 2.96Å; D235-M239 VanDerWaalsContact N-O 3.09Å; D235-M239 WeakPolarHBondContact OD1-CB 3.19Å; D235-M239 PolarHBondContact OD1-N 2.97Å
236N95.1Very high92.4Very high32 Ų3221.8 Ų21.817%0.17111%0.108CC..THydrogen-bonded Turntrans-62.3-30.8-178.4-71.627.1000111.3R115 M119 V121 H238R115-N236 PolarHBondContact NE-OD1 3.2Å; M119-N236 PolarHBondContact O-ND2 3.15Å; V121-N236 PolarHBondContact N-OD1 3.28Å; V121-N236 PolarHBondContact O-OD1 2.91Å; N236-H238 VanDerWaalsContact C-N 3.31Å; N236-H238 PolarHBondContact O-CE1 2.97Å; N236-H238 PolarHBondContact O-ND1 3.33Å
237E95.1Very high92.7Very high86 Ų8618.3 Ų18.340%0.4029%0.09SC..THydrogen-bonded Turntrans-85.7-1.6175.9-6075.6-165.900113D235 M239 V276D235-E237 PolarHBondContact O-N 2.95Å; D235-E237 PolarHBondContact OD1-N 2.96Å; E237-M239 HydrophobicContact CB-CG 4.07Å; E237-M239 PolarHBondContact O-N 3.15Å; E237-V276 HydrophobicContact CB-CG2 4.29Å; E237-V276 HydrophobicContact CG-CG2 4.2Å
238H95Very high93Very high32 Ų3214.5 Ų14.515%0.1487%0.072CC..  trans68.120179.4-39.9-42.4000113.9Q25 S28 K29 S32 D235 N236Q25-H238 PolarHBondContact NE2-O 2.88Å; S28-H238 PolarHBondContact O-CE1 2.84Å; S28-H238 VanDerWaalsContact O-CE1 3.31Å; S28-H238 PolarHBondContact OG-ND1 3.28Å; K29-H238 HydrophobicContact CG-CB 4.31Å; K29-H238 WeakPolarHBondContact CG-CD2 3.39Å; S32-H238 PolarHBondContact OG-CE1 3.1Å; D235-H238 PolarHBondContact O-N 3.39Å; D235-H238 PolarHBondContact OD1-N 3.16Å; N236-H238 VanDerWaalsContact C-N 3.31Å; N236-H238 PolarHBondContact O-CE1 2.97Å; N236-H238 PolarHBondContact O-ND1 3.33Å
239M96.3Very high93.1Very high44 Ų4414.9 Ų14.922%0.2178%0.075CC..  trans-76.7148.9170.1-56.7-52.5-79.500108.9F234 D235 E237 F273 K274 V276F234-M239 VanDerWaalsContact CA-O 3.28Å; F234-M239 WeakPolarHBondContact CA-O 3.45Å; D235-M239 PolarHBondContact N-O 2.96Å; D235-M239 VanDerWaalsContact N-O 3.09Å; D235-M239 WeakPolarHBondContact OD1-CB 3.19Å; D235-M239 PolarHBondContact OD1-N 2.97Å; E237-M239 HydrophobicContact CB-CG 4.07Å; E237-M239 PolarHBondContact O-N 3.15Å; M239-F273 WeakPolarHBondContact CB-O 3.35Å; M239-F273 VanDerWaalsContact CE-C 3.43Å; M239-K274 WeakPolarHBondContact CE-O 3.32Å; M239-V276 HydrophobicContact CG-CG2 4.13Å
240A95.9Very high92.9Very high3 Ų317.6 Ų17.63%0.0259%0.089CC..EExtended strand (participates in β ladder)trans-111.2139.5-168.500000110.9L21 S233 F234 F273L21-A240 HydrophobicContact CD1-CB 3.56Å; S233-A240 CarbonylContact O-C 3.57Å; S233-A240 WeakPolarHBondContact O-CA 3.29Å; F234-A240 HydrophobicContact CD1-CB 3.93Å; F234-A240 HydrophobicContact CE1-CB 3.69Å; A240-F273 HydrophobicContact CB-CB 3.96Å; A240-F273 PolarHBondContact N-O 2.88Å
241K95.1Very high92.6Very high11 Ų1122.3 Ų22.35%0.04811%0.114CC..EExtended strand (participates in β ladder)trans-131.1139.6170.9-176.3172.2-172.6149.60110.8L232 S233 V243 P275 D281 E284 N285 M288L232-K241 CarbonylContact C-O 3.54Å; L232-K241 WeakPolarHBondContact CA-O 3.48Å; S233-K241 PolarHBondContact N-O 3.5Å; S233-K241 PolarHBondContact O-N 2.87Å; S233-K241 PolarHBondContact OG-O 3.31Å; K241-V243 HydrophobicContact CD-CG1 4.5Å; K241-V243 HydrophobicContact CG-CG1 4.25Å; K241-V243 PolarHBondContact O-N 2.89Å; K241-P275 HydrophobicContact CB-CG 4.33Å; K241-D281 WeakPolarHBondContact CD-OD1 3.16Å; K241-D281 WeakPolarHBondContact CE-OD1 3.26Å; K241-D281 PolarHBondContact NZ-O 3.03Å; K241-D281 IonicContact NZ-OD1 3.86Å; K241-D281 PolarHBondContact NZ-OD1 2.99Å; K241-E284 WeakPolarHBondContact CD-OE2 3.44Å; K241-E284 VanDerWaalsContact CE-CD 3.49Å; K241-E284 WeakPolarHBondContact CE-OE2 3.22Å; K241-E284 VanDerWaalsContact NZ-CD 3.33Å; K241-E284 IonicContact NZ-OE2 2.63Å; K241-E284 PolarHBondContact NZ-OE2 3.09Å; K241-N285 WeakPolarHBondContact CE-OD1 3.33Å; K241-N285 PolarHBondContact NZ-OD1 3.44Å; K241-M288 VanDerWaalsContact CE-CE 3.48Å
242D93.5Very high92.2Very high31 Ų3122.4 Ų22.417%0.16612%0.115CC..EExtended strand (participates in β ladder)trans-81.5107.9172.9-165.8-30.4000110.5L232 T244 R260 W266 L270L232-D242 HydrophobicContact CD2-CB 4.01Å; D242-T244 WeakPolarHBondContact OD1-CB 3.47Å; D242-T244 PolarHBondContact OD1-N 3.13Å; D242-T244 PolarHBondContact OD1-OG1 2.99Å; D242-R260 IonicContact OD1-NH1 3.97Å; D242-R260 IonicContact OD1-NH2 3.76Å; D242-R260 IonicContact OD2-CZ 3.41Å; D242-R260 IonicContact OD2-NH1 3.77Å; D242-R260 IonicContact OD2-NH2 2.92Å; D242-R260 PolarHBondContact OD2-NH2 2.89Å; D242-W266 PolarHBondContact OD2-NE1 3.49Å; D242-L270 HydrophobicContact CB-CD1 3.78Å
243V93.7Very high91.5Very high0 Ų022.5 Ų22.50%012%0.115CC..  trans-107.515.8179.8-63.40000111.5C231 S233 K241 L245 R246 Y247C231-V243 HydrophobicContact CB-CG2 4.22Å; C231-V243 PolarHBondContact O-N 3.22Å; S233-V243 WeakPolarHBondContact OG-CG1 3.42Å; K241-V243 HydrophobicContact CD-CG1 4.5Å; K241-V243 HydrophobicContact CG-CG1 4.25Å; K241-V243 PolarHBondContact O-N 2.89Å; V243-L245 PolarHBondContact O-N 3.27Å; V243-L245 VanDerWaalsContact O-N 3.15Å; V243-R246 VanDerWaalsContact O-CB 3.28Å; V243-R246 WeakPolarHBondContact O-CB 3.47Å; V243-R246 PolarHBondContact O-N 3.35Å; V243-Y247 HydrophobicContact CB-CE2 4.31Å; V243-Y247 HydrophobicContact CG2-CD2 4.17Å; V243-Y247 HydrophobicContact CG2-CE2 3.95Å; V243-Y247 WeakPolarHBondContact O-CD2 3.49Å
244T91.4Very high90.7Very high1 Ų124.8 Ų24.81%0.00613%0.127CC..Hα-helixtrans-52.1-41.6-179.8-51.10000111.7M228 C231 D242 R246 Y247 A248 R260M228-T244 HydrophobicContact CG-CG2 4.27Å; C231-T244 PolarHBondContact N-OG1 2.97Å; C231-T244 PolarHBondContact O-N 3.34Å; C231-T244 PolarHBondContact O-OG1 3.45Å; D242-T244 WeakPolarHBondContact OD1-CB 3.47Å; D242-T244 PolarHBondContact OD1-N 3.13Å; D242-T244 PolarHBondContact OD1-OG1 2.99Å; T244-R246 PolarHBondContact O-N 3.48Å; T244-Y247 PolarHBondContact O-N 2.63Å; T244-Y247 VanDerWaalsContact O-N 3.17Å; T244-A248 HydrophobicContact CG2-CB 4.19Å; T244-A248 WeakPolarHBondContact O-CB 3.16Å; T244-A248 PolarHBondContact O-N 2.51Å; T244-R260 PolarHBondContact OG1-NH1 2.94Å
245L87Confident89.8Confident43 Ų4329.1 Ų29.123%0.22515%0.146CC..Hα-helixtrans-66.3-20.5-177.6-62.9179.6000113.5V243 M253 Y256 L292 R295V243-L245 PolarHBondContact O-N 3.27Å; V243-L245 VanDerWaalsContact O-N 3.15Å; L245-M253 HydrophobicContact CD2-CE 3.33Å; L245-M253 HydrophobicContact CD2-SD 3.77Å; L245-Y256 HydrophobicContact CD2-CE2 3.95Å; L245-L292 HydrophobicContact CB-CD1 4.04Å; L245-L292 HydrophobicContact CB-CD2 3.91Å; L245-L292 HydrophobicContact CB-CG 4.39Å; L245-L292 HydrophobicContact CD1-CD1 3.53Å; L245-L292 HydrophobicContact CD1-CD2 4.46Å; L245-L292 HydrophobicContact CD2-CD2 4.08Å; L245-L292 HydrophobicContact CG-CD1 4.24Å; L245-L292 HydrophobicContact CG-CD2 4.36Å; L245-R295 PolarHBondContact O-NH2 2.84Å
246R89.8Confident88.9Confident8 Ų831.3 Ų31.33%0.0315%0.154CC..Hα-helixtrans-73.4-44.1173.7-173.2-174.9-66.1-111.17110.8E194 W203 P219 V243 T244 E284E194-R246 IonicContact OE1-NE 3.17Å; W203-R246 PolarHBondContact O-NH1 2.85Å; P219-R246 WeakPolarHBondContact CG-O 3.5Å; V243-R246 VanDerWaalsContact O-CB 3.28Å; V243-R246 WeakPolarHBondContact O-CB 3.47Å; V243-R246 PolarHBondContact O-N 3.35Å; T244-R246 PolarHBondContact O-N 3.48Å; R246-E284 IonicContact CZ-OE1 3.89Å; R246-E284 IonicContact NH2-OE1 3.65Å; R246-E284 PolarHBondContact NH2-OE1 2.88Å
247Y91.2Very high87.9Confident1 Ų133.8 Ų33.80%0.00416%0.161CC..Hα-helixtrans-100.2-22.7-169.5-61-81.1000114.3W192 E194 C205 P219 L223 R224 M228 V243 T244 T249W192-Y247 AromaticContact CE2-CE1 3.86Å; W192-Y247 AromaticContact CE2-CE2 3.99Å; W192-Y247 AromaticContact CE2-CZ 3.68Å; W192-Y247 HydrophobicContact CH2-CG 4.45Å; W192-Y247 AromaticContact CZ2-CD1 3.87Å; W192-Y247 HydrophobicContact CZ2-CD1 3.87Å; W192-Y247 AromaticContact CZ2-CD2 3.63Å; W192-Y247 HydrophobicContact CZ2-CD2 3.63Å; W192-Y247 AromaticContact CZ2-CE1 3.82Å; W192-Y247 HydrophobicContact CZ2-CE1 3.82Å; W192-Y247 AromaticContact CZ2-CE2 3.58Å; W192-Y247 HydrophobicContact CZ2-CE2 3.58Å; W192-Y247 AromaticContact CZ2-CG 3.78Å; W192-Y247 HydrophobicContact CZ2-CG 3.78Å; W192-Y247 AromaticContact CZ2-CZ 3.68Å; W192-Y247 AromaticContact NE1-CE1 3.54Å; W192-Y247 AromaticContact NE1-CE2 3.77Å; W192-Y247 AromaticContact NE1-CZ 3.15Å; W192-Y247 PolarHBondContact NE1-OH 2.96Å; E194-Y247 WeakPolarHBondContact CG-OH 3.18Å; E194-Y247 WeakPolarHBondContact OE1-CE2 3.47Å; E194-Y247 VanDerWaalsContact OE1-CZ 3.3Å; E194-Y247 PolarHBondContact OE1-OH 2.9Å; C205-Y247 HydrophobicContact CB-CE1 4.4Å; P219-Y247 HydrophobicContact CB-CD1 3.64Å; P219-Y247 HydrophobicContact CB-CE1 3.89Å; L223-Y247 HydrophobicContact CB-CD1 3.89Å; L223-Y247 HydrophobicContact CB-CE1 4.12Å; L223-Y247 HydrophobicContact CD1-CE1 3.92Å; R224-Y247 WeakPolarHBondContact CA-O 3.22Å; R224-Y247 WeakPolarHBondContact CB-O 3.47Å; M228-Y247 WeakPolarHBondContact CE-O 3.48Å; V243-Y247 HydrophobicContact CB-CE2 4.31Å; V243-Y247 HydrophobicContact CG2-CD2 4.17Å; V243-Y247 HydrophobicContact CG2-CE2 3.95Å; V243-Y247 WeakPolarHBondContact O-CD2 3.49Å; T244-Y247 PolarHBondContact O-N 2.63Å; T244-Y247 VanDerWaalsContact O-N 3.17Å; Y247-T249 PolarHBondContact O-N 2.75Å
248A89Confident86.9Confident1 Ų137 Ų371%0.00818%0.176CC..BIsolated β-bridgetrans-66.8130.9-175.200000110.5M228 T244 A252 M253 R295M228-A248 HydrophobicContact CE-CB 4.44Å; T244-A248 HydrophobicContact CG2-CB 4.19Å; T244-A248 WeakPolarHBondContact O-CB 3.16Å; T244-A248 PolarHBondContact O-N 2.51Å; A248-A252 HydrophobicContact CB-CB 4.12Å; A248-M253 HydrophobicContact CB-CG 4.39Å; A248-M253 HydrophobicContact CB-SD 4.04Å; A248-R295 VanDerWaalsContact O-CZ 3.29Å; A248-R295 PolarHBondContact O-NH1 3.01Å; A248-R295 PolarHBondContact O-NH2 3.36Å
249T88.2Confident86.3Confident16 Ų1636.5 Ų36.510%0.09817%0.173CC..  trans-69.3167.1173.864.90000110.6R224 S225 D226 Y247 L251 A252 M253R224-T249 HydrophobicContact CB-CG2 3.85Å; S225-T249 PolarHBondContact O-OG1 3Å; D226-T249 WeakPolarHBondContact CA-OG1 3.49Å; D226-T249 WeakPolarHBondContact OD1-CB 3.28Å; D226-T249 WeakPolarHBondContact OD1-CG2 3.28Å; D226-T249 PolarHBondContact OD1-OG1 3.37Å; Y247-T249 PolarHBondContact O-N 2.75Å; T249-L251 PolarHBondContact O-N 3.28Å; T249-A252 PolarHBondContact O-N 3.03Å; T249-A252 PolarHBondContact OG1-N 3.41Å; T249-M253 WeakPolarHBondContact O-CG 3.38Å; T249-M253 PolarHBondContact O-N 3.34Å; T249-M253 VanDerWaalsContact O-N 3.08Å
250D84.5Confident85.7Confident59 Ų5935.1 Ų35.132%0.31617%0.166SC..Hα-helixtrans-64.1-30.6177.8-60.7-31000111.7M253 L254 R295 P296D250-M253 WeakPolarHBondContact O-CB 3.4Å; D250-M253 PolarHBondContact O-N 3.39Å; D250-L254 WeakPolarHBondContact O-CG 3.33Å; D250-L254 PolarHBondContact O-N 2.87Å; D250-R295 WeakPolarHBondContact OD1-CD 3.35Å; D250-R295 IonicContact OD1-CZ 2.68Å; D250-R295 IonicContact OD1-NE 3.34Å; D250-R295 IonicContact OD1-NH1 3.55Å; D250-R295 PolarHBondContact OD1-NH1 2.99Å; D250-P296 WeakPolarHBondContact OD2-CD 3.32Å; D250-P296 VanDerWaalsContact OD2-CG 3.28Å; D250-P296 WeakPolarHBondContact OD2-CG 3.43Å
251L84.5Confident85Confident98 Ų9835.7 Ų35.751%0.51317%0.168SC..Hα-helixtrans-66.1-42.1173.8-68.1173.3000112.4D226 T249 M253 L254D226-L251 HydrophobicContact CB-CB 4.41Å; D226-L251 WeakPolarHBondContact OD2-CD1 3.49Å; T249-L251 PolarHBondContact O-N 3.28Å; L251-M253 VanDerWaalsContact C-N 3.27Å; L251-M253 PolarHBondContact O-N 2.99Å; L251-L254 HydrophobicContact CD2-CD1 4.5Å; L251-L254 PolarHBondContact O-N 3.17Å
252A83.8Confident84Confident2 Ų238.4 Ų38.42%0.01719%0.185CC..Hα-helixtrans-61.9-38.4173.700000111.2A248 T249 L254 K255 Y256 W259A248-A252 HydrophobicContact CB-CB 4.12Å; T249-A252 PolarHBondContact O-N 3.03Å; T249-A252 PolarHBondContact OG1-N 3.41Å; A252-L254 VanDerWaalsContact C-N 3.32Å; A252-L254 PolarHBondContact O-N 3.38Å; A252-K255 CarbonylContact O-C 3.5Å; A252-K255 PolarHBondContact O-N 3.43Å; A252-Y256 PolarHBondContact O-N 3.18Å; A252-Y256 VanDerWaalsContact O-N 3.07Å; A252-W259 HydrophobicContact CB-CZ3 4.26Å
253M81.6Confident82.9Confident2 Ų241.7 Ų41.71%0.0120%0.203CC..Hα-helixtrans-63.7-33.5178.7-68-59.5-78.400113.3L245 A248 T249 D250 L251 K255 Y256 L292 P308 L309L245-M253 HydrophobicContact CD2-CE 3.33Å; L245-M253 HydrophobicContact CD2-SD 3.77Å; A248-M253 HydrophobicContact CB-CG 4.39Å; A248-M253 HydrophobicContact CB-SD 4.04Å; T249-M253 WeakPolarHBondContact O-CG 3.38Å; T249-M253 PolarHBondContact O-N 3.34Å; T249-M253 VanDerWaalsContact O-N 3.08Å; D250-M253 WeakPolarHBondContact O-CB 3.4Å; D250-M253 PolarHBondContact O-N 3.39Å; L251-M253 VanDerWaalsContact C-N 3.27Å; L251-M253 PolarHBondContact O-N 2.99Å; M253-K255 PolarHBondContact O-N 2.83Å; M253-Y256 HydrophobicContact CE-CD2 4.31Å; M253-Y256 VanDerWaalsContact O-CB 3.22Å; M253-Y256 WeakPolarHBondContact O-CB 3.33Å; M253-Y256 PolarHBondContact O-N 2.89Å; M253-Y256 HydrophobicContact SD-CD2 3.85Å; M253-Y256 HydrophobicContact SD-CE2 4.46Å; M253-L292 HydrophobicContact CE-CD2 4.3Å; M253-P308 HydrophobicContact CB-CG 4.36Å; M253-P308 HydrophobicContact CE-CB 4.18Å; M253-P308 HydrophobicContact CE-CG 3.46Å; M253-P308 VanDerWaalsContact CE-CG 3.46Å; M253-P308 WeakPolarHBondContact O-CD 3.49Å; M253-P308 WeakPolarHBondContact O-CG 3.42Å; M253-P308 HydrophobicContact SD-CG 4.34Å; M253-L309 HydrophobicContact CE-CD1 3.69Å; M253-L309 HydrophobicContact CE-CD2 4.23Å; M253-L309 HydrophobicContact CE-CG 3.77Å
254L80.8Confident82.4Confident49 Ų4945.6 Ų45.626%0.25723%0.23SC..Hα-helixtrans-62.2-27.8173.3-60.1-175000112.8D250 L251 A252 P298 E303D250-L254 WeakPolarHBondContact O-CG 3.33Å; D250-L254 PolarHBondContact O-N 2.87Å; L251-L254 HydrophobicContact CD2-CD1 4.5Å; L251-L254 PolarHBondContact O-N 3.17Å; A252-L254 VanDerWaalsContact C-N 3.32Å; A252-L254 PolarHBondContact O-N 3.38Å; L254-P298 HydrophobicContact CD2-CB 4.4Å; L254-P298 HydrophobicContact CD2-CG 4.21Å; L254-E303 HydrophobicContact CD1-CB 4.32Å; L254-E303 HydrophobicContact CD1-CG 3.95Å; L254-E303 HydrophobicContact CD2-CB 3.8Å; L254-E303 HydrophobicContact CD2-CG 4.36Å
255K78.5Confident82.4Confident91 Ų9148.7 Ų48.740%0.39624%0.242SC..Hα-helixtrans-100.91.4-179.6-60.1177.3-174.31710113.2A252 M253 R257 Q258 W259A252-K255 CarbonylContact O-C 3.5Å; A252-K255 PolarHBondContact O-N 3.43Å; M253-K255 PolarHBondContact O-N 2.83Å; K255-R257 VanDerWaalsContact C-N 3.34Å; K255-R257 PolarHBondContact O-N 3.11Å; K255-R257 VanDerWaalsContact O-N 3.16Å; K255-Q258 WeakPolarHBondContact O-CA 3.5Å; K255-Q258 WeakPolarHBondContact O-CB 3.38Å; K255-Q258 PolarHBondContact O-N 3Å; K255-W259 HydrophobicContact CB-CD2 3.75Å; K255-W259 HydrophobicContact CB-CE3 3.83Å; K255-W259 HydrophobicContact CB-CG 4.45Å; K255-W259 HydrophobicContact CB-CH2 4.08Å; K255-W259 HydrophobicContact CB-CZ2 4Å; K255-W259 HydrophobicContact CB-CZ3 3.98Å; K255-W259 HydrophobicContact CD-CD2 4.49Å; K255-W259 HydrophobicContact CD-CH2 3.36Å; K255-W259 HydrophobicContact CD-CZ2 3.18Å; K255-W259 HydrophobicContact CD-CZ3 4.08Å; K255-W259 HydrophobicContact CG-CH2 4.36Å; K255-W259 HydrophobicContact CG-CZ2 4.23Å; K255-W259 PolarHBondContact O-N 2.98Å; K255-W259 VanDerWaalsContact O-N 3.12Å
256Y77.4Confident82.6Confident47 Ų4747 Ų4718%0.18423%0.232CC..Hα-helixtrans-48-49.5-174.2-173.9-81.3000113.5L245 A252 M253 Q258 W259 R260 P308L245-Y256 HydrophobicContact CD2-CE2 3.95Å; A252-Y256 PolarHBondContact O-N 3.18Å; A252-Y256 VanDerWaalsContact O-N 3.07Å; M253-Y256 HydrophobicContact CE-CD2 4.31Å; M253-Y256 VanDerWaalsContact O-CB 3.22Å; M253-Y256 WeakPolarHBondContact O-CB 3.33Å; M253-Y256 PolarHBondContact O-N 2.89Å; M253-Y256 HydrophobicContact SD-CD2 3.85Å; M253-Y256 HydrophobicContact SD-CE2 4.46Å; Y256-Q258 VanDerWaalsContact C-N 3.29Å; Y256-Q258 PolarHBondContact O-N 3.27Å; Y256-W259 PolarHBondContact O-N 3.05Å; Y256-R260 HydrophobicContact CE1-CB 4.45Å; Y256-R260 VanDerWaalsContact O-CB 3.26Å; Y256-R260 WeakPolarHBondContact O-CB 3.45Å; Y256-R260 WeakPolarHBondContact O-CG 3.45Å; Y256-R260 PolarHBondContact O-N 3.14Å; Y256-R260 PolarHBondContact OH-NE 3.26Å; Y256-R260 VanDerWaalsContact OH-NE 3.1Å; Y256-R260 PolarHBondContact OH-NH2 2.83Å; Y256-P308 HydrophobicContact CD1-CB 3.62Å; Y256-P308 HydrophobicContact CD1-CG 4.21Å; Y256-P308 HydrophobicContact CD2-CB 4.19Å; Y256-P308 HydrophobicContact CD2-CG 4.2Å; Y256-P308 HydrophobicContact CE1-CB 4.08Å; Y256-P308 HydrophobicContact CG-CB 3.68Å; Y256-P308 HydrophobicContact CG-CG 3.77Å
257R73Confident82.5Confident85 Ų8553.6 Ų53.632%0.32126%0.261SS..Hα-helixtrans-72.2-18.5179.9-72.2-158.9176.5-173.3-13.9114.5K255 V262 N306K255-R257 VanDerWaalsContact C-N 3.34Å; K255-R257 PolarHBondContact O-N 3.11Å; K255-R257 VanDerWaalsContact O-N 3.16Å; R257-V262 HydrophobicContact CB-CG2 3.93Å; R257-V262 HydrophobicContact CG-CG1 4.42Å; R257-V262 HydrophobicContact CG-CG2 3.69Å; R257-N306 HydrophobicContact CB-CB 4.43Å; R257-N306 WeakPolarHBondContact CD-O 3.42Å; R257-N306 WeakPolarHBondContact CG-O 3.34Å; R257-N306 PolarHBondContact NE-O 3.33Å; R257-N306 PolarHBondContact NH1-OD1 2.83Å
258Q75.9Confident82.5Confident152 Ų15257.1 Ų57.171%0.7128%0.28SS*.Hα-helixtrans-80.7-35176.4-58.2178.610.100110.7K255 Y256K255-Q258 WeakPolarHBondContact O-CA 3.5Å; K255-Q258 WeakPolarHBondContact O-CB 3.38Å; K255-Q258 PolarHBondContact O-N 3Å; Y256-Q258 VanDerWaalsContact C-N 3.29Å; Y256-Q258 PolarHBondContact O-N 3.27Å
259W80.5Confident82.8Confident23 Ų2357.9 Ų57.99%0.08729%0.285CS..Hα-helixtrans-97.2-13.7-174.1-63.1-20.5000114.3H13 S129 D226 A229 A252 K255 Y256H13-W259 PolarHBondContact CE1-O 3.32Å; H13-W259 VanDerWaalsContact CE1-O 3.23Å; S129-W259 VanDerWaalsContact CB-CE2 3.47Å; S129-W259 WeakPolarHBondContact OG-CZ2 3.47Å; D226-W259 WeakPolarHBondContact O-CH2 3.35Å; D226-W259 WeakPolarHBondContact O-CZ3 3.13Å; A229-W259 HydrophobicContact CB-CB 4.03Å; A252-W259 HydrophobicContact CB-CZ3 4.26Å; K255-W259 HydrophobicContact CB-CD2 3.75Å; K255-W259 HydrophobicContact CB-CE3 3.83Å; K255-W259 HydrophobicContact CB-CG 4.45Å; K255-W259 HydrophobicContact CB-CH2 4.08Å; K255-W259 HydrophobicContact CB-CZ2 4Å; K255-W259 HydrophobicContact CB-CZ3 3.98Å; K255-W259 HydrophobicContact CD-CD2 4.49Å; K255-W259 HydrophobicContact CD-CH2 3.36Å; K255-W259 HydrophobicContact CD-CZ2 3.18Å; K255-W259 HydrophobicContact CD-CZ3 4.08Å; K255-W259 HydrophobicContact CG-CH2 4.36Å; K255-W259 HydrophobicContact CG-CZ2 4.23Å; K255-W259 PolarHBondContact O-N 2.98Å; K255-W259 VanDerWaalsContact O-N 3.12Å; Y256-W259 PolarHBondContact O-N 3.05Å
260R84.9Confident83Confident15 Ų1558.1 Ų58.16%0.05729%0.286CS..SBendtrans-121.2149.4-176.8-58.917462.1104.9-6.2112.8A229 Y230 D242 T244 Y256 V262A229-R260 WeakPolarHBondContact O-CD 3.3Å; A229-R260 VanDerWaalsContact O-CG 3.27Å; A229-R260 WeakPolarHBondContact O-CG 3.39Å; A229-R260 PolarHBondContact O-NH1 2.85Å; Y230-R260 HydrophobicContact CD2-CG 4.48Å; Y230-R260 HydrophobicContact CE1-CB 4.32Å; Y230-R260 HydrophobicContact CE1-CG 4.11Å; Y230-R260 HydrophobicContact CE2-CB 4.36Å; Y230-R260 HydrophobicContact CE2-CG 3.91Å; Y230-R260 WeakPolarHBondContact OH-CA 3.49Å; D242-R260 IonicContact OD1-NH1 3.97Å; D242-R260 IonicContact OD1-NH2 3.76Å; D242-R260 IonicContact OD2-CZ 3.41Å; D242-R260 IonicContact OD2-NH1 3.77Å; D242-R260 IonicContact OD2-NH2 2.92Å; D242-R260 PolarHBondContact OD2-NH2 2.89Å; T244-R260 PolarHBondContact OG1-NH1 2.94Å; Y256-R260 HydrophobicContact CE1-CB 4.45Å; Y256-R260 VanDerWaalsContact O-CB 3.26Å; Y256-R260 WeakPolarHBondContact O-CB 3.45Å; Y256-R260 WeakPolarHBondContact O-CG 3.45Å; Y256-R260 PolarHBondContact O-N 3.14Å; Y256-R260 PolarHBondContact OH-NE 3.26Å; Y256-R260 VanDerWaalsContact OH-NE 3.1Å; Y256-R260 PolarHBondContact OH-NH2 2.83Å; R260-V262 WeakPolarHBondContact O-CG2 3.38Å; R260-V262 PolarHBondContact O-N 3.12Å
261I81.7Confident83.4Confident14 Ų1464.2 Ų64.27%0.07230%0.304CS..  trans-70114164.5-54.4-173.6000107.7H13 Q14 L17 Y230 D263 W265H13-I261 HydrophobicContact CB-CD1 4.16Å; Q14-I261 HydrophobicContact CB-CD1 4.21Å; Q14-I261 HydrophobicContact CG-CD1 3.3Å; L17-I261 HydrophobicContact CD1-CD1 3.73Å; L17-I261 HydrophobicContact CD1-CG1 4.11Å; Y230-I261 PolarHBondContact OH-N 3.09Å; I261-D263 HydrophobicContact CG2-CB 4.2Å; I261-W265 HydrophobicContact CD1-CE3 4.32Å; I261-W265 HydrophobicContact CD1-CZ3 4.24Å
262V73.4Confident83.8Confident69 Ų6965.9 Ų65.942%0.41831%0.313SS..  trans-92.8-11.5-176.3-169.80000111.7R257 R260R257-V262 HydrophobicContact CB-CG2 3.93Å; R257-V262 HydrophobicContact CG-CG1 4.42Å; R257-V262 HydrophobicContact CG-CG2 3.69Å; R260-V262 WeakPolarHBondContact O-CG2 3.38Å; R260-V262 PolarHBondContact O-N 3.12Å
263D71.2Confident84.4Confident100 Ų10068.2 Ų68.254%0.53532%0.323SS..SBendtrans-68.1158.1179.2-71.416.7000110.7I261 W265I261-D263 HydrophobicContact CG2-CB 4.2Å; D263-W265 PolarHBondContact O-N 3.2Å
264S83.1Confident84.9Confident81 Ų8172.2 Ų72.257%0.56634%0.34SS*.Hα-helixtrans-58-23.4-177.270.70000112.9W266 F267 D268S264-W266 VanDerWaalsContact C-N 3.3Å; S264-W266 PolarHBondContact O-N 2.96Å; S264-F267 CarbonylContact O-C 3.49Å; S264-F267 WeakPolarHBondContact O-CA 3.41Å; S264-F267 WeakPolarHBondContact O-CB 3.28Å; S264-F267 PolarHBondContact O-N 3.44Å; S264-D268 VanDerWaalsContact C-OD2 3.3Å; S264-D268 WeakPolarHBondContact CB-OD2 3.32Å; S264-D268 VanDerWaalsContact O-CG 3.26Å; S264-D268 PolarHBondContact O-N 2.83Å; S264-D268 VanDerWaalsContact O-OD2 3.12Å; S264-D268 PolarHBondContact OG-OD2 2.99Å
265W90.5Very high85.4Confident66 Ų6670.2 Ų70.225%0.2533%0.33CS..Hα-helixtrans-48-46.8-177.5179.285.7000113.6Q14 L17 L18 I261 D263 F267 D268 V269Q14-W265 HydrophobicContact CB-CE3 4.44Å; Q14-W265 HydrophobicContact CB-CH2 3.61Å; Q14-W265 HydrophobicContact CB-CZ2 3.83Å; Q14-W265 HydrophobicContact CB-CZ3 3.94Å; Q14-W265 HydrophobicContact CG-CD2 4.07Å; Q14-W265 HydrophobicContact CG-CE3 3.84Å; Q14-W265 HydrophobicContact CG-CH2 3.94Å; Q14-W265 HydrophobicContact CG-CZ2 4.14Å; Q14-W265 HydrophobicContact CG-CZ3 3.78Å; Q14-W265 WeakPolarHBondContact O-CH2 3.46Å; L17-W265 HydrophobicContact CD1-CZ3 4.17Å; L18-W265 HydrophobicContact CD1-CH2 4.47Å; L18-W265 HydrophobicContact CD1-CZ2 4.13Å; L18-W265 HydrophobicContact CD2-CH2 3.99Å; L18-W265 HydrophobicContact CD2-CZ2 4.03Å; L18-W265 HydrophobicContact CG-CH2 3.92Å; L18-W265 HydrophobicContact CG-CZ2 4.03Å; I261-W265 HydrophobicContact CD1-CE3 4.32Å; I261-W265 HydrophobicContact CD1-CZ3 4.24Å; D263-W265 PolarHBondContact O-N 3.2Å; W265-F267 VanDerWaalsContact C-N 3.33Å; W265-F267 PolarHBondContact O-N 3Å; W265-D268 PolarHBondContact O-N 3.5Å; W265-V269 HydrophobicContact CD2-CG2 4.04Å; W265-V269 HydrophobicContact CE3-CG2 4.41Å; W265-V269 HydrophobicContact CH2-CG2 4.06Å; W265-V269 HydrophobicContact CZ2-CG2 3.67Å; W265-V269 HydrophobicContact CZ3-CG2 4.41Å; W265-V269 WeakPolarHBondContact O-CG2 3.29Å; W265-V269 PolarHBondContact O-N 2.91Å
266W90.3Very high86.1Confident9 Ų971 Ų713%0.03434%0.342CS..Hα-helixtrans-67.8-37.3-178-177.1-123.5000112L17 Y230 L232 D242 S264 V269 L270L17-W266 HydrophobicContact CB-CE3 4.18Å; L17-W266 HydrophobicContact CB-CH2 4.02Å; L17-W266 HydrophobicContact CB-CZ3 3.69Å; L17-W266 HydrophobicContact CD1-CD2 4.29Å; L17-W266 HydrophobicContact CD1-CE3 4.12Å; L17-W266 HydrophobicContact CD1-CZ3 4.41Å; Y230-W266 HydrophobicContact CD1-CZ2 4.28Å; Y230-W266 AromaticContact CD1-NE1 3.88Å; Y230-W266 HydrophobicContact CE1-CZ2 4.5Å; Y230-W266 AromaticContact CE1-NE1 3.72Å; L232-W266 HydrophobicContact CD1-CH2 4.13Å; L232-W266 HydrophobicContact CD1-CZ2 4.03Å; L232-W266 HydrophobicContact CD2-CZ2 4.06Å; L232-W266 HydrophobicContact CG-CZ2 4.5Å; D242-W266 PolarHBondContact OD2-NE1 3.49Å; S264-W266 VanDerWaalsContact C-N 3.3Å; S264-W266 PolarHBondContact O-N 2.96Å; W266-V269 HydrophobicContact CE3-CB 4.28Å; W266-V269 HydrophobicContact CE3-CG1 4.26Å; W266-V269 HydrophobicContact CZ3-CG1 4.02Å; W266-V269 PolarHBondContact O-N 3.36Å; W266-L270 HydrophobicContact CD2-CD1 4.28Å; W266-L270 HydrophobicContact CD2-CG 4.25Å; W266-L270 HydrophobicContact CG-CD1 4.45Å; W266-L270 HydrophobicContact CH2-CD2 4.19Å; W266-L270 HydrophobicContact CH2-CG 4.48Å; W266-L270 HydrophobicContact CZ2-CD1 4.11Å; W266-L270 HydrophobicContact CZ2-CD2 3.93Å; W266-L270 HydrophobicContact CZ2-CG 4.07Å; W266-L270 WeakPolarHBondContact O-CG 3.36Å; W266-L270 PolarHBondContact O-N 3.4Å
267F88.7Confident86.8Confident145 Ų14571.8 Ų71.864%0.63635%0.35SS*.Hα-helixtrans-66.3-42.3174-178.4-91.6000111.5S264 W265 V269 L270 R271S264-F267 CarbonylContact O-C 3.49Å; S264-F267 WeakPolarHBondContact O-CA 3.41Å; S264-F267 WeakPolarHBondContact O-CB 3.28Å; S264-F267 PolarHBondContact O-N 3.44Å; W265-F267 VanDerWaalsContact C-N 3.33Å; W265-F267 PolarHBondContact O-N 3Å; F267-V269 VanDerWaalsContact C-N 3.34Å; F267-V269 PolarHBondContact O-N 3.38Å; F267-L270 PolarHBondContact O-N 3.39Å; F267-R271 WeakPolarHBondContact O-CB 3.45Å; F267-R271 PolarHBondContact O-N 3.32Å
268D91.7Very high87.7Confident76 Ų7669.9 Ų69.941%0.40635%0.352SS..Hα-helixtrans-63.3-39.4177.7-64.3-38.4000111.5S264 W265 R271S264-D268 VanDerWaalsContact C-OD2 3.3Å; S264-D268 WeakPolarHBondContact CB-OD2 3.32Å; S264-D268 VanDerWaalsContact O-CG 3.26Å; S264-D268 PolarHBondContact O-N 2.83Å; S264-D268 VanDerWaalsContact O-OD2 3.12Å; S264-D268 PolarHBondContact OG-OD2 2.99Å; W265-D268 PolarHBondContact O-N 3.5Å; D268-R271 WeakPolarHBondContact O-CB 3.41Å
269V94.2Very high88.5Confident16 Ų1667.9 Ų67.910%0.09735%0.35CS..Hα-helixtrans-63.7-52.8173.1169.70000110.8L18 L21 W265 W266 F267 R271 L272 F273L18-V269 HydrophobicContact CD2-CG1 3.87Å; L18-V269 HydrophobicContact CD2-CG2 4.33Å; L21-V269 HydrophobicContact CD2-CG1 3.98Å; W265-V269 HydrophobicContact CD2-CG2 4.04Å; W265-V269 HydrophobicContact CE3-CG2 4.41Å; W265-V269 HydrophobicContact CH2-CG2 4.06Å; W265-V269 HydrophobicContact CZ2-CG2 3.67Å; W265-V269 HydrophobicContact CZ3-CG2 4.41Å; W265-V269 WeakPolarHBondContact O-CG2 3.29Å; W265-V269 PolarHBondContact O-N 2.91Å; W266-V269 HydrophobicContact CE3-CB 4.28Å; W266-V269 HydrophobicContact CE3-CG1 4.26Å; W266-V269 HydrophobicContact CZ3-CG1 4.02Å; W266-V269 PolarHBondContact O-N 3.36Å; F267-V269 VanDerWaalsContact C-N 3.34Å; F267-V269 PolarHBondContact O-N 3.38Å; V269-R271 PolarHBondContact O-N 3.41Å; V269-L272 WeakPolarHBondContact O-CB 3.49Å; V269-L272 PolarHBondContact O-N 3.28Å; V269-L272 VanDerWaalsContact O-N 3.08Å; V269-F273 HydrophobicContact CG1-CE2 4.32Å; V269-F273 VanDerWaalsContact O-CD2 3.27Å; V269-F273 WeakPolarHBondContact O-CD2 3.49Å
270L92.9Very high89.1Confident22 Ų2267.7 Ų67.712%0.11535%0.35CS..Hα-helixtrans-62.2-29-178.7-74175.9000112.9L21 L232 D242 W266 F267 L272 F273 K274L21-L270 HydrophobicContact CD1-CD2 4.37Å; L232-L270 HydrophobicContact CD2-CD2 4.1Å; D242-L270 HydrophobicContact CB-CD1 3.78Å; W266-L270 HydrophobicContact CD2-CD1 4.28Å; W266-L270 HydrophobicContact CD2-CG 4.25Å; W266-L270 HydrophobicContact CG-CD1 4.45Å; W266-L270 HydrophobicContact CH2-CD2 4.19Å; W266-L270 HydrophobicContact CH2-CG 4.48Å; W266-L270 HydrophobicContact CZ2-CD1 4.11Å; W266-L270 HydrophobicContact CZ2-CD2 3.93Å; W266-L270 HydrophobicContact CZ2-CG 4.07Å; W266-L270 WeakPolarHBondContact O-CG 3.36Å; W266-L270 PolarHBondContact O-N 3.4Å; F267-L270 PolarHBondContact O-N 3.39Å; L270-L272 PolarHBondContact O-N 2.88Å; L270-F273 CarbonylContact O-C 3.44Å; L270-F273 WeakPolarHBondContact O-CA 3.14Å; L270-F273 PolarHBondContact O-N 3.3Å; L270-K274 PolarHBondContact O-N 2.98Å
271R92.6Very high89.5Confident187 Ų18767.3 Ų67.371%0.70635%0.349SS*.Hα-helixtrans-59-30.3175.4-173.6178.1178-177.8-0112.8F267 D268 V269 F273F267-R271 WeakPolarHBondContact O-CB 3.45Å; F267-R271 PolarHBondContact O-N 3.32Å; D268-R271 WeakPolarHBondContact O-CB 3.41Å; V269-R271 PolarHBondContact O-N 3.41Å; R271-F273 PolarHBondContact O-N 3.26Å
272L94.5Very high90Very high133 Ų13370.7 Ų70.770%0.69637%0.367SS*.THydrogen-bonded Turntrans-68.4-18.5174.9-57.7174.8000112.6V269 L270V269-L272 WeakPolarHBondContact O-CB 3.49Å; V269-L272 PolarHBondContact O-N 3.28Å; V269-L272 VanDerWaalsContact O-N 3.08Å; L270-L272 PolarHBondContact O-N 2.88Å
273F94.4Very high90.9Very high51 Ų5169.9 Ų69.922%0.22437%0.368CS..THydrogen-bonded Turntrans-118.622.2-175.5-55.5-80.1000112.6L21 M239 A240 V269 L270 R271L21-F273 HydrophobicContact CD2-CD2 3.66Å; L21-F273 HydrophobicContact CD2-CE2 3.43Å; L21-F273 VanDerWaalsContact CD2-CE2 3.43Å; L21-F273 HydrophobicContact CD2-CG 4.41Å; L21-F273 HydrophobicContact CD2-CZ 4Å; M239-F273 WeakPolarHBondContact CB-O 3.35Å; M239-F273 VanDerWaalsContact CE-C 3.43Å; A240-F273 HydrophobicContact CB-CB 3.96Å; A240-F273 PolarHBondContact N-O 2.88Å; V269-F273 HydrophobicContact CG1-CE2 4.32Å; V269-F273 VanDerWaalsContact O-CD2 3.27Å; V269-F273 WeakPolarHBondContact O-CD2 3.49Å; L270-F273 CarbonylContact O-C 3.44Å; L270-F273 WeakPolarHBondContact O-CA 3.14Å; L270-F273 PolarHBondContact O-N 3.3Å; R271-F273 PolarHBondContact O-N 3.26Å
274K92.4Very high92Very high85 Ų8565.5 Ų65.537%0.3734%0.344SS..  trans-58.1136.6178.9-167.5179.9-175.2-174.30110.8M239 L270 D281 D282M239-K274 WeakPolarHBondContact CE-O 3.32Å; L270-K274 PolarHBondContact O-N 2.98Å; K274-D281 WeakPolarHBondContact CE-OD2 3.34Å; K274-D281 IonicContact NZ-OD2 2.78Å; K274-D282 IonicContact NZ-OD1 3.14Å; K274-D282 PolarHBondContact NZ-OD1 3.28Å; K274-D282 VanDerWaalsContact NZ-OD1 3.17Å
275P92.5Very high92.4Very high8 Ų864.1 Ų64.15%0.05233%0.33CS..  trans-50.8143.4174.1-28.335.9000112.9K241 D277 D281K241-P275 HydrophobicContact CB-CG 4.33Å; P275-D277 VanDerWaalsContact C-N 3.34Å; P275-D277 PolarHBondContact O-N 3.26Å; P275-D281 HydrophobicContact CB-CB 4.45Å
276V91.7Very high92.3Very high107 Ų10765.6 Ų65.665%0.64834%0.34SS*.SBendtrans-62.6-41-175.9-178.90000111.5E237 M239 A278E237-V276 HydrophobicContact CB-CG2 4.29Å; E237-V276 HydrophobicContact CG-CG2 4.2Å; M239-V276 HydrophobicContact CG-CG2 4.13Å; V276-A278 PolarHBondContact O-N 2.94Å; V276-A278 VanDerWaalsContact O-N 3.16Å
277D92.1Very high92.3Very high64 Ų6466.5 Ų66.534%0.34235%0.345SS..  trans-80.894175.2-175.2-12.9000110.8P275 T279 R280 D281P275-D277 VanDerWaalsContact C-N 3.34Å; P275-D277 PolarHBondContact O-N 3.26Å; D277-T279 VanDerWaalsContact C-N 3.28Å; D277-T279 PolarHBondContact O-N 3.25Å; D277-T279 PolarHBondContact OD1-N 3.24Å; D277-T279 PolarHBondContact OD1-OG1 2.93Å; D277-R280 HydrophobicContact CB-CB 4.09Å; D277-R280 VanDerWaalsContact CG-CB 3.47Å; D277-R280 PolarHBondContact OD1-N 2.99Å; D277-R280 WeakPolarHBondContact OD2-CB 3.34Å; D277-D281 WeakPolarHBondContact O-CB 3.11Å; D277-D281 PolarHBondContact O-N 3.06Å; D277-D281 VanDerWaalsContact O-N 3.08Å
278A92Very high92.2Very high45 Ų4560.3 Ų60.337%0.37232%0.318SS..Hα-helixtrans-62.8-33.6178.200000112.9V276 D281 D282V276-A278 PolarHBondContact O-N 2.94Å; V276-A278 VanDerWaalsContact O-N 3.16Å; A278-D281 PolarHBondContact O-N 3.07Å; A278-D282 WeakPolarHBondContact O-CB 3.25Å; A278-D282 PolarHBondContact O-N 2.94Å
279T93.4Very high91.8Very high110 Ų11062.5 Ų62.568%0.67533%0.326SS*.Hα-helixtrans-68.9-44.5-177.665.90000111.5D277 D281 D282 A283D277-T279 VanDerWaalsContact C-N 3.28Å; D277-T279 PolarHBondContact O-N 3.25Å; D277-T279 PolarHBondContact OD1-N 3.24Å; D277-T279 PolarHBondContact OD1-OG1 2.93Å; T279-D281 VanDerWaalsContact C-N 3.33Å; T279-D282 PolarHBondContact O-N 2.78Å; T279-A283 WeakPolarHBondContact O-CB 3.38Å; T279-A283 PolarHBondContact O-N 2.66Å
280R93Very high91.4Very high19 Ų1967.7 Ų67.77%0.07234%0.344CS..Hα-helixtrans-64.4-39.1173.6-178.4178.267.9175.1-0.8111.4Y196 D277 E284Y196-R280 HydrophobicContact CD2-CG 4.34Å; Y196-R280 HydrophobicContact CE2-CG 3.72Å; D277-R280 HydrophobicContact CB-CB 4.09Å; D277-R280 VanDerWaalsContact CG-CB 3.47Å; D277-R280 PolarHBondContact OD1-N 2.99Å; D277-R280 WeakPolarHBondContact OD2-CB 3.34Å; R280-E284 WeakPolarHBondContact O-CB 3.35Å; R280-E284 PolarHBondContact O-N 3.37Å; R280-E284 VanDerWaalsContact O-N 3.1Å
281D93.6Very high90.9Very high7 Ų768.1 Ų68.14%0.03735%0.345CS..Hα-helixtrans-63.9-47.5178-171.263.1000112.2K241 K274 P275 D277 A278 T279 E284 N285K241-D281 WeakPolarHBondContact CD-OD1 3.16Å; K241-D281 WeakPolarHBondContact CE-OD1 3.26Å; K241-D281 PolarHBondContact NZ-O 3.03Å; K241-D281 IonicContact NZ-OD1 3.86Å; K241-D281 PolarHBondContact NZ-OD1 2.99Å; K274-D281 WeakPolarHBondContact CE-OD2 3.34Å; K274-D281 IonicContact NZ-OD2 2.78Å; P275-D281 HydrophobicContact CB-CB 4.45Å; D277-D281 WeakPolarHBondContact O-CB 3.11Å; D277-D281 PolarHBondContact O-N 3.06Å; D277-D281 VanDerWaalsContact O-N 3.08Å; A278-D281 PolarHBondContact O-N 3.07Å; T279-D281 VanDerWaalsContact C-N 3.33Å; D281-E284 PolarHBondContact O-N 3.48Å; D281-N285 PolarHBondContact O-N 3.14Å; D281-N285 PolarHBondContact O-ND2 3.01Å; D281-N285 PolarHBondContact O-OD1 3.29Å; D281-N285 PolarHBondContact OD2-ND2 3.14Å; D281-N285 VanDerWaalsContact OD2-ND2 3.17Å
282D92.3Very high90.2Very high85 Ų8559.8 Ų59.846%0.45532%0.315SS..Hα-helixtrans-66.7-40.6-179-65.9-15.7000111.2K274 A278 T279 E284 N285 E286K274-D282 IonicContact NZ-OD1 3.14Å; K274-D282 PolarHBondContact NZ-OD1 3.28Å; K274-D282 VanDerWaalsContact NZ-OD1 3.17Å; A278-D282 WeakPolarHBondContact O-CB 3.25Å; A278-D282 PolarHBondContact O-N 2.94Å; T279-D282 PolarHBondContact O-N 2.78Å; D282-E284 VanDerWaalsContact C-N 3.33Å; D282-E284 PolarHBondContact O-N 3.17Å; D282-N285 WeakPolarHBondContact O-CB 3.28Å; D282-N285 PolarHBondContact O-N 3.33Å; D282-E286 PolarHBondContact O-N 3.35Å
283A92.7Very high89.4Confident52 Ų5255.5 Ų55.543%0.4329%0.294SS..Hα-helixtrans-62.1-38.517400000112.7T279 L287T279-A283 WeakPolarHBondContact O-CB 3.38Å; T279-A283 PolarHBondContact O-N 2.66Å; A283-L287 PolarHBondContact O-N 2.9Å
284E93.6Very high88.8Confident8 Ų860.7 Ų60.74%0.03732%0.319CS..Hα-helixtrans-69.8-37.4174.5176.6179.4-152.500112R122 K241 R246 R280 D281 D282 E286 L287 M288R122-E284 IonicContact CZ-OE2 3.6Å; R122-E284 VanDerWaalsContact NH1-CD 3.29Å; R122-E284 IonicContact NH1-OE1 3.6Å; R122-E284 PolarHBondContact NH1-OE1 3.16Å; R122-E284 IonicContact NH1-OE2 3.96Å; R122-E284 PolarHBondContact NH1-OE2 3.37Å; R122-E284 IonicContact NH2-OE2 3.69Å; R122-E284 PolarHBondContact NH2-OE2 2.86Å; R122-E284 VanDerWaalsContact NH2-OE2 3.14Å; K241-E284 WeakPolarHBondContact CD-OE2 3.44Å; K241-E284 VanDerWaalsContact CE-CD 3.49Å; K241-E284 WeakPolarHBondContact CE-OE2 3.22Å; K241-E284 VanDerWaalsContact NZ-CD 3.33Å; K241-E284 IonicContact NZ-OE2 2.63Å; K241-E284 PolarHBondContact NZ-OE2 3.09Å; R246-E284 IonicContact CZ-OE1 3.89Å; R246-E284 IonicContact NH2-OE1 3.65Å; R246-E284 PolarHBondContact NH2-OE1 2.88Å; R280-E284 WeakPolarHBondContact O-CB 3.35Å; R280-E284 PolarHBondContact O-N 3.37Å; R280-E284 VanDerWaalsContact O-N 3.1Å; D281-E284 PolarHBondContact O-N 3.48Å; D282-E284 VanDerWaalsContact C-N 3.33Å; D282-E284 PolarHBondContact O-N 3.17Å; E284-E286 VanDerWaalsContact C-N 3.34Å; E284-L287 PolarHBondContact O-N 3.32Å; E284-M288 HydrophobicContact CG-CE 4.22Å; E284-M288 WeakPolarHBondContact O-CG 3.37Å; E284-M288 PolarHBondContact O-N 3.45Å
285N91.3Very high88.4Confident51 Ų5158 Ų5827%0.27331%0.306SS..Hα-helixtrans-61.5-44.9174.7-65.8-25.1000110.5K241 D281 D282 L287 M288 E289K241-N285 WeakPolarHBondContact CE-OD1 3.33Å; K241-N285 PolarHBondContact NZ-OD1 3.44Å; D281-N285 PolarHBondContact O-N 3.14Å; D281-N285 PolarHBondContact O-ND2 3.01Å; D281-N285 PolarHBondContact O-OD1 3.29Å; D281-N285 PolarHBondContact OD2-ND2 3.14Å; D281-N285 VanDerWaalsContact OD2-ND2 3.17Å; D282-N285 WeakPolarHBondContact O-CB 3.28Å; D282-N285 PolarHBondContact O-N 3.33Å; N285-L287 PolarHBondContact O-N 2.96Å; N285-M288 PolarHBondContact O-N 3.24Å; N285-M288 WeakPolarHBondContact OD1-CE 3.38Å; N285-E289 WeakPolarHBondContact O-CB 3.08Å; N285-E289 WeakPolarHBondContact O-CG 3.39Å; N285-E289 PolarHBondContact O-N 2.94Å
286E89.5Confident88.1Confident98 Ų9861.9 Ų61.946%0.45833%0.332SS..Hα-helixtrans-62-42.4176.1-160.8-166.7160.600111.9D282 E284 E289 R290D282-E286 PolarHBondContact O-N 3.35Å; E284-E286 VanDerWaalsContact C-N 3.34Å; E286-E289 PolarHBondContact O-N 3.14Å; E286-R290 WeakPolarHBondContact O-CG 3.49Å; E286-R290 PolarHBondContact O-N 3.39Å; E286-R290 IonicContact OE1-CZ 3.87Å; E286-R290 IonicContact OE1-NE 3.46Å; E286-R290 PolarHBondContact OE1-NE 3.32Å; E286-R290 IonicContact OE1-NH2 3Å; E286-R290 PolarHBondContact OE1-NH2 2.88Å; E286-R290 IonicContact OE2-NH2 2.75Å; E286-R290 PolarHBondContact OE2-NH2 3.31Å
287L89.7Confident87.9Confident28 Ų2859.2 Ų59.215%0.14731%0.313CS..Hα-helixtrans-61.3-47.2175.7179.765000111.8K202 A283 E284 N285 E289 R290 Q291K202-L287 HydrophobicContact CD-CD2 4.22Å; K202-L287 HydrophobicContact CG-CD2 4.17Å; A283-L287 PolarHBondContact O-N 2.9Å; E284-L287 PolarHBondContact O-N 3.32Å; N285-L287 PolarHBondContact O-N 2.96Å; L287-E289 VanDerWaalsContact C-N 3.31Å; L287-E289 PolarHBondContact O-N 3.01Å; L287-R290 PolarHBondContact O-N 3.26Å; L287-Q291 WeakPolarHBondContact O-CG 3.36Å; L287-Q291 PolarHBondContact O-N 2.92Å
288M86.9Confident87.7Confident14 Ų1456.9 Ų56.97%0.06930%0.302CS..Hα-helixtrans-61-42.6176.9-72.6-171.5-62.200110.8K241 E284 N285 R290 Q291 L292K241-M288 VanDerWaalsContact CE-CE 3.48Å; E284-M288 HydrophobicContact CG-CE 4.22Å; E284-M288 WeakPolarHBondContact O-CG 3.37Å; E284-M288 PolarHBondContact O-N 3.45Å; N285-M288 PolarHBondContact O-N 3.24Å; N285-M288 WeakPolarHBondContact OD1-CE 3.38Å; M288-R290 PolarHBondContact O-N 3.46Å; M288-Q291 PolarHBondContact O-N 3.46Å; M288-L292 WeakPolarHBondContact O-CB 3.49Å; M288-L292 VanDerWaalsContact O-CD1 3.28Å; M288-L292 WeakPolarHBondContact O-CD1 3.17Å; M288-L292 WeakPolarHBondContact O-CG 3.4Å; M288-L292 PolarHBondContact O-N 3.32Å
289E82.8Confident87.5Confident122 Ų12263.8 Ų63.857%0.5732%0.323SS*.Hα-helixtrans-59.2-43.7175.1-76.6-177.2-174.100112.3N285 E286 L287 L292 V293N285-E289 WeakPolarHBondContact O-CB 3.08Å; N285-E289 WeakPolarHBondContact O-CG 3.39Å; N285-E289 PolarHBondContact O-N 2.94Å; E286-E289 PolarHBondContact O-N 3.14Å; L287-E289 VanDerWaalsContact C-N 3.31Å; L287-E289 PolarHBondContact O-N 3.01Å; E289-L292 PolarHBondContact O-N 3.04Å; E289-V293 VanDerWaalsContact O-CG2 3.25Å; E289-V293 WeakPolarHBondContact O-CG2 3.19Å; E289-V293 PolarHBondContact O-N 3.17Å; E289-V293 VanDerWaalsContact O-N 3.14Å
290R85.3Confident87.4Confident126 Ų12664.7 Ų64.748%0.47532%0.318SS..Hα-helixtrans-61.9-48.8175.2-67.5179.4-148.7156.51.6111.6E286 L287 M288 L292 V293 E294E286-R290 WeakPolarHBondContact O-CG 3.49Å; E286-R290 PolarHBondContact O-N 3.39Å; E286-R290 IonicContact OE1-CZ 3.87Å; E286-R290 IonicContact OE1-NE 3.46Å; E286-R290 PolarHBondContact OE1-NE 3.32Å; E286-R290 IonicContact OE1-NH2 3Å; E286-R290 PolarHBondContact OE1-NH2 2.88Å; E286-R290 IonicContact OE2-NH2 2.75Å; E286-R290 PolarHBondContact OE2-NH2 3.31Å; L287-R290 PolarHBondContact O-N 3.26Å; M288-R290 PolarHBondContact O-N 3.46Å; R290-L292 PolarHBondContact O-N 3.34Å; R290-V293 WeakPolarHBondContact O-CB 3.36Å; R290-V293 PolarHBondContact O-N 3.45Å; R290-E294 PolarHBondContact O-N 3.21Å; R290-E294 VanDerWaalsContact O-N 3.14Å
291Q82.7Confident87.4Confident30 Ų3066.6 Ų66.614%0.1433%0.329CS..Hα-helixtrans-59.4-37177.9-73.6177.8-34.600111.9E218 L287 M288 V293 E294 R295E218-Q291 PolarHBondContact OE1-NE2 2.98Å; E218-Q291 PolarHBondContact OE2-NE2 3.43Å; L287-Q291 WeakPolarHBondContact O-CG 3.36Å; L287-Q291 PolarHBondContact O-N 2.92Å; M288-Q291 PolarHBondContact O-N 3.46Å; Q291-V293 VanDerWaalsContact C-N 3.29Å; Q291-V293 PolarHBondContact O-N 2.87Å; Q291-E294 PolarHBondContact O-N 2.92Å; Q291-R295 PolarHBondContact O-N 3.43Å
292L77Confident87.2Confident12 Ų1270.5 Ų70.56%0.06336%0.357CS..Hα-helixtrans-68-28.2176.6-70.1163000112.9L245 M253 M288 E289 R290 L309 Y310L245-L292 HydrophobicContact CB-CD1 4.04Å; L245-L292 HydrophobicContact CB-CD2 3.91Å; L245-L292 HydrophobicContact CB-CG 4.39Å; L245-L292 HydrophobicContact CD1-CD1 3.53Å; L245-L292 HydrophobicContact CD1-CD2 4.46Å; L245-L292 HydrophobicContact CD2-CD2 4.08Å; L245-L292 HydrophobicContact CG-CD1 4.24Å; L245-L292 HydrophobicContact CG-CD2 4.36Å; M253-L292 HydrophobicContact CE-CD2 4.3Å; M288-L292 WeakPolarHBondContact O-CB 3.49Å; M288-L292 VanDerWaalsContact O-CD1 3.28Å; M288-L292 WeakPolarHBondContact O-CD1 3.17Å; M288-L292 WeakPolarHBondContact O-CG 3.4Å; M288-L292 PolarHBondContact O-N 3.32Å; E289-L292 PolarHBondContact O-N 3.04Å; R290-L292 PolarHBondContact O-N 3.34Å; L292-L309 HydrophobicContact CB-CD1 3.96Å; L292-L309 HydrophobicContact CB-CD2 4.23Å; L292-L309 HydrophobicContact CD1-CD2 3.98Å; L292-L309 HydrophobicContact CD2-CD1 3.51Å; L292-L309 HydrophobicContact CD2-CD2 4Å; L292-L309 HydrophobicContact CD2-CG 4.34Å; L292-L309 HydrophobicContact CG-CD1 4.26Å; L292-L309 HydrophobicContact CG-CD2 4.28Å; L292-Y310 PolarHBondContact O-OH 3.05Å
293V78.2Confident86.9Confident44 Ų4468.7 Ų68.727%0.26735%0.346SS..Hα-helixtrans-75-35.2175.51710000111.4E289 R290 Q291 R295 R340E289-V293 VanDerWaalsContact O-CG2 3.25Å; E289-V293 WeakPolarHBondContact O-CG2 3.19Å; E289-V293 PolarHBondContact O-N 3.17Å; E289-V293 VanDerWaalsContact O-N 3.14Å; R290-V293 WeakPolarHBondContact O-CB 3.36Å; R290-V293 PolarHBondContact O-N 3.45Å; Q291-V293 VanDerWaalsContact C-N 3.29Å; Q291-V293 PolarHBondContact O-N 2.87Å; V293-R295 VanDerWaalsContact C-N 3.26Å; V293-R295 PolarHBondContact O-N 3.28Å; V293-R340 VanDerWaalsContact CG1-NH2 3.26Å
294E82.6Confident86.7Confident159 Ų15966.2 Ų66.274%0.74333%0.325SS*.Hα-helixtrans-75-14.6179.5-68.4175.2177.600113.3R290 Q291R290-E294 PolarHBondContact O-N 3.21Å; R290-E294 VanDerWaalsContact O-N 3.14Å; Q291-E294 PolarHBondContact O-N 2.92Å
295R82.8Confident86.3Confident29 Ų2973 Ų7311%0.10936%0.355CS..SBendtrans-58.3142.9175.3-75.5179179.1-1265.7111.6L245 A248 D250 Q291 V293 L297 Y310L245-R295 PolarHBondContact O-NH2 2.84Å; A248-R295 VanDerWaalsContact O-CZ 3.29Å; A248-R295 PolarHBondContact O-NH1 3.01Å; A248-R295 PolarHBondContact O-NH2 3.36Å; D250-R295 WeakPolarHBondContact OD1-CD 3.35Å; D250-R295 IonicContact OD1-CZ 2.68Å; D250-R295 IonicContact OD1-NE 3.34Å; D250-R295 IonicContact OD1-NH1 3.55Å; D250-R295 PolarHBondContact OD1-NH1 2.99Å; Q291-R295 PolarHBondContact O-N 3.43Å; V293-R295 VanDerWaalsContact C-N 3.26Å; V293-R295 PolarHBondContact O-N 3.28Å; R295-L297 PolarHBondContact O-N 2.69Å; R295-Y310 PolarHBondContact O-OH 3.1Å
296P86.2Confident85.6Confident90 Ų9074.9 Ų74.958%0.58436%0.364SS*.PPolyproline II helixtrans-61.9137178.727.1-34.4000110.6D250D250-P296 WeakPolarHBondContact OD2-CD 3.32Å; D250-P296 VanDerWaalsContact OD2-CG 3.28Å; D250-P296 WeakPolarHBondContact OD2-CG 3.43Å
297L88Confident85.2Confident50 Ų5070.5 Ų70.526%0.26234%0.344SS..PPolyproline II helixtrans-64137.7174.6-68.6-176.7000110.5R295 K299 Y304 Y310 V338R295-L297 PolarHBondContact O-N 2.69Å; L297-K299 PolarHBondContact O-N 3.34Å; L297-Y304 WeakPolarHBondContact CB-OH 3.39Å; L297-Y310 HydrophobicContact CD2-CD1 4.28Å; L297-Y310 HydrophobicContact CD2-CD2 4.3Å; L297-Y310 HydrophobicContact CD2-CE1 4Å; L297-Y310 HydrophobicContact CD2-CE2 4.02Å; L297-Y310 HydrophobicContact CD2-CG 4.45Å; L297-V338 HydrophobicContact CD2-CG1 4.13Å
298P87.9Confident84.6Confident16 Ų1670.2 Ų70.210%0.10434%0.344CS..PPolyproline II helixtrans-53140.5173.4-25.131.2000112.1L254 E303 Y304 Y310L254-P298 HydrophobicContact CD2-CB 4.4Å; L254-P298 HydrophobicContact CD2-CG 4.21Å; P298-E303 HydrophobicContact CB-CB 3.68Å; P298-E303 WeakPolarHBondContact CB-OE2 3.44Å; P298-Y304 HydrophobicContact CB-CD2 4.24Å; P298-Y304 HydrophobicContact CB-CE1 4.35Å; P298-Y304 HydrophobicContact CB-CE2 3.78Å; P298-Y304 HydrophobicContact CG-CD1 4.44Å; P298-Y304 HydrophobicContact CG-CE1 4Å; P298-Y304 HydrophobicContact CG-CE2 4.33Å; P298-Y304 VanDerWaalsContact O-CE2 3.29Å; P298-Y304 WeakPolarHBondContact O-CE2 3.45Å; P298-Y304 PolarHBondContact O-OH 3.01Å; P298-Y310 HydrophobicContact CG-CD2 4.22Å
299K88.4Confident84.3Confident189 Ų18971.1 Ų71.182%0.82235%0.349SS*.SBendtrans-83.8-26.6-172.2-67.7-178.4-179.4176.90112L297 E303 C333L297-K299 PolarHBondContact O-N 3.34Å; K299-E303 PolarHBondContact N-OE2 3.5Å; K299-C333 PolarHBondContact O-SG 2.96Å
300K91.2Very high84.6Confident130 Ų13065.6 Ų65.657%0.56532%0.323SS*.SBendtrans-109139.5-176.5-57.3178.3-176.1170.60111.3S302 E303 Y304K300-S302 PolarHBondContact O-N 3.22Å; K300-S302 VanDerWaalsContact O-N 3.15Å; K300-E303 HydrophobicContact CB-CG 3.96Å; K300-E303 WeakPolarHBondContact CD-OE1 3.34Å; K300-E303 PolarHBondContact N-OE2 3.29Å; K300-E303 VanDerWaalsContact O-CB 3.31Å; K300-E303 WeakPolarHBondContact O-CB 3.36Å; K300-E303 PolarHBondContact O-N 3.24Å; K300-Y304 WeakPolarHBondContact O-CD2 3.08Å
301I91.5Very high84.9Confident59 Ų5959.7 Ų59.730%0.30330%0.301SS..Hα-helixtrans-53.8-37.8175.5-65.3176.1000111.6E303 Y304 L312 V336I301-E303 PolarHBondContact O-N 2.9Å; I301-Y304 PolarHBondContact O-N 3.48Å; I301-L312 HydrophobicContact CB-CD1 4.37Å; I301-L312 HydrophobicContact CG2-CD1 3.71Å; I301-V336 HydrophobicContact CD1-CG2 4.47Å
302S89.6Confident85.5Confident88 Ų8858.3 Ų58.362%0.61529%0.294SS*.Hα-helixtrans-62.5-25.8179.3550000114.1K300 Y304K300-S302 PolarHBondContact O-N 3.22Å; K300-S302 VanDerWaalsContact O-N 3.15Å; S302-Y304 VanDerWaalsContact C-N 3.32Å
303E87.9Confident86.2Confident47 Ų4762.5 Ų62.522%0.2231%0.314CS..Hα-helixtrans-76.5-21-177.8-66165.6179.300112L254 P298 K299 K300 I301L254-E303 HydrophobicContact CD1-CB 4.32Å; L254-E303 HydrophobicContact CD1-CG 3.95Å; L254-E303 HydrophobicContact CD2-CB 3.8Å; L254-E303 HydrophobicContact CD2-CG 4.36Å; P298-E303 HydrophobicContact CB-CB 3.68Å; P298-E303 WeakPolarHBondContact CB-OE2 3.44Å; K299-E303 PolarHBondContact N-OE2 3.5Å; K300-E303 HydrophobicContact CB-CG 3.96Å; K300-E303 WeakPolarHBondContact CD-OE1 3.34Å; K300-E303 PolarHBondContact N-OE2 3.29Å; K300-E303 VanDerWaalsContact O-CB 3.31Å; K300-E303 WeakPolarHBondContact O-CB 3.36Å; K300-E303 PolarHBondContact O-N 3.24Å; I301-E303 PolarHBondContact O-N 2.9Å
304Y88.2Confident86.8Confident1 Ų167.9 Ų67.90%0.00433%0.329CS..Hα-helixtrans-78.1-23.5176.3-71.8-84.5000113.6L297 P298 K300 I301 S302 N306 H307 Y310 L312 C333 V338L297-Y304 WeakPolarHBondContact CB-OH 3.39Å; P298-Y304 HydrophobicContact CB-CD2 4.24Å; P298-Y304 HydrophobicContact CB-CE1 4.35Å; P298-Y304 HydrophobicContact CB-CE2 3.78Å; P298-Y304 HydrophobicContact CG-CD1 4.44Å; P298-Y304 HydrophobicContact CG-CE1 4Å; P298-Y304 HydrophobicContact CG-CE2 4.33Å; P298-Y304 VanDerWaalsContact O-CE2 3.29Å; P298-Y304 WeakPolarHBondContact O-CE2 3.45Å; P298-Y304 PolarHBondContact O-OH 3.01Å; K300-Y304 WeakPolarHBondContact O-CD2 3.08Å; I301-Y304 PolarHBondContact O-N 3.48Å; S302-Y304 VanDerWaalsContact C-N 3.32Å; Y304-N306 PolarHBondContact O-N 3.28Å; Y304-H307 WeakPolarHBondContact O-CB 3.27Å; Y304-H307 PolarHBondContact O-N 3.08Å; Y304-Y310 HydrophobicContact CE1-CD2 4.32Å; Y304-Y310 HydrophobicContact CE1-CG 4.35Å; Y304-L312 HydrophobicContact CD1-CD2 4.07Å; Y304-L312 HydrophobicContact CD1-CG 4.14Å; Y304-L312 HydrophobicContact CD2-CD1 3.95Å; Y304-L312 HydrophobicContact CD2-CD2 4.04Å; Y304-L312 HydrophobicContact CD2-CG 4.08Å; Y304-L312 HydrophobicContact CE1-CD2 4.35Å; Y304-L312 HydrophobicContact CE2-CD2 4.3Å; Y304-L312 HydrophobicContact CG-CD1 3.93Å; Y304-L312 HydrophobicContact CG-CD2 3.89Å; Y304-L312 HydrophobicContact CG-CG 3.67Å; Y304-C333 HydrophobicContact CD2-CB 4.35Å; Y304-C333 HydrophobicContact CE2-CB 3.47Å; Y304-C333 VanDerWaalsContact CE2-CB 3.47Å; Y304-C333 VanDerWaalsContact CE2-SG 3.58Å; Y304-V338 HydrophobicContact CD1-CG1 4.18Å; Y304-V338 HydrophobicContact CE1-CB 4.31Å; Y304-V338 HydrophobicContact CE1-CG1 3.45Å; Y304-V338 VanDerWaalsContact CE1-CG1 3.45Å; Y304-V338 HydrophobicContact CE1-CG2 3.82Å; Y304-V338 WeakPolarHBondContact OH-CG2 3.42Å
305K84.8Confident87.3Confident151 Ų15163.1 Ų63.166%0.65731%0.309SS*.THydrogen-bonded Turntrans-61.3117.5178.9-170.8173.4-174.7175.30108.1H307K305-H307 PolarHBondContact O-N 2.88Å
306N75.6Confident87.8Confident89 Ų8963.5 Ų63.548%0.47631%0.313SS..THydrogen-bonded Turntrans64.916-176.6-69.9-39.2000115.4R257 Y304R257-N306 HydrophobicContact CB-CB 4.43Å; R257-N306 WeakPolarHBondContact CD-O 3.42Å; R257-N306 WeakPolarHBondContact CG-O 3.34Å; R257-N306 PolarHBondContact NE-O 3.33Å; R257-N306 PolarHBondContact NH1-OD1 2.83Å; Y304-N306 PolarHBondContact O-N 3.28Å
307H82.7Confident88.2Confident6 Ų664.5 Ų64.53%0.02831%0.313CS..  trans-63.6135177.9-170.4-86.8000112Y304 K305 L309 Y310 R341Y304-H307 WeakPolarHBondContact O-CB 3.27Å; Y304-H307 PolarHBondContact O-N 3.08Å; K305-H307 PolarHBondContact O-N 2.88Å; H307-L309 PolarHBondContact ND1-N 3.34Å; H307-L309 VanDerWaalsContact ND1-N 3.16Å; H307-L309 PolarHBondContact O-N 3.12Å; H307-Y310 AromaticContact CE1-CD2 3.19Å; H307-Y310 WeakPolarHBondContact CE1-CD2 3.16Å; H307-Y310 AromaticContact CE1-CE2 3.6Å; H307-Y310 AromaticContact ND1-CD2 3.34Å; H307-Y310 VanDerWaalsContact ND1-CD2 3.34Å; H307-Y310 WeakPolarHBondContact ND1-CD2 3.37Å; H307-Y310 AromaticContact ND1-CG 3.76Å; H307-Y310 PolarHBondContact ND1-N 3.26Å; H307-Y310 VanDerWaalsContact ND1-N 3.17Å; H307-Y310 AromaticContact NE2-CD2 3.94Å; H307-R341 PolarHBondContact O-NE 2.99Å; H307-R341 PolarHBondContact O-NH2 3.05Å
308P76.5Confident88.5Confident22 Ų2266.6 Ų66.614%0.14332%0.32CS..SBendtrans-62.3-38.5-174.823.9-35.3000114.4M253 Y256 R341M253-P308 HydrophobicContact CB-CG 4.36Å; M253-P308 HydrophobicContact CE-CB 4.18Å; M253-P308 HydrophobicContact CE-CG 3.46Å; M253-P308 VanDerWaalsContact CE-CG 3.46Å; M253-P308 WeakPolarHBondContact O-CD 3.49Å; M253-P308 WeakPolarHBondContact O-CG 3.42Å; M253-P308 HydrophobicContact SD-CG 4.34Å; Y256-P308 HydrophobicContact CD1-CB 3.62Å; Y256-P308 HydrophobicContact CD1-CG 4.21Å; Y256-P308 HydrophobicContact CD2-CB 4.19Å; Y256-P308 HydrophobicContact CD2-CG 4.2Å; Y256-P308 HydrophobicContact CE1-CB 4.08Å; Y256-P308 HydrophobicContact CG-CB 3.68Å; Y256-P308 HydrophobicContact CG-CG 3.77Å; P308-R341 WeakPolarHBondContact O-CD 3.47Å
309L81.3Confident88.9Confident33 Ų3369.3 Ų69.317%0.17333%0.33CS..SBendtrans-100.9-22.1-171.7-56171.6000114.5M253 L292 H307 R340 R341M253-L309 HydrophobicContact CE-CD1 3.69Å; M253-L309 HydrophobicContact CE-CD2 4.23Å; M253-L309 HydrophobicContact CE-CG 3.77Å; L292-L309 HydrophobicContact CB-CD1 3.96Å; L292-L309 HydrophobicContact CB-CD2 4.23Å; L292-L309 HydrophobicContact CD1-CD2 3.98Å; L292-L309 HydrophobicContact CD2-CD1 3.51Å; L292-L309 HydrophobicContact CD2-CD2 4Å; L292-L309 HydrophobicContact CD2-CG 4.34Å; L292-L309 HydrophobicContact CG-CD1 4.26Å; L292-L309 HydrophobicContact CG-CD2 4.28Å; H307-L309 PolarHBondContact ND1-N 3.34Å; H307-L309 VanDerWaalsContact ND1-N 3.16Å; H307-L309 PolarHBondContact O-N 3.12Å; L309-R340 CarbonylContact O-C 3.38Å; L309-R340 WeakPolarHBondContact O-CA 2.84Å; L309-R341 PolarHBondContact O-N 3.19Å
310Y88Confident89.2Confident6 Ų662 Ų622%0.02430%0.299CS..EExtended strand (participates in β ladder)trans-130.2155.3-166.5-52.8-52.8000110.3L292 R295 L297 P298 Y304 H307 I330 V338 Y339 R341L292-Y310 PolarHBondContact O-OH 3.05Å; R295-Y310 PolarHBondContact O-OH 3.1Å; L297-Y310 HydrophobicContact CD2-CD1 4.28Å; L297-Y310 HydrophobicContact CD2-CD2 4.3Å; L297-Y310 HydrophobicContact CD2-CE1 4Å; L297-Y310 HydrophobicContact CD2-CE2 4.02Å; L297-Y310 HydrophobicContact CD2-CG 4.45Å; P298-Y310 HydrophobicContact CG-CD2 4.22Å; Y304-Y310 HydrophobicContact CE1-CD2 4.32Å; Y304-Y310 HydrophobicContact CE1-CG 4.35Å; H307-Y310 AromaticContact CE1-CD2 3.19Å; H307-Y310 WeakPolarHBondContact CE1-CD2 3.16Å; H307-Y310 AromaticContact CE1-CE2 3.6Å; H307-Y310 AromaticContact ND1-CD2 3.34Å; H307-Y310 VanDerWaalsContact ND1-CD2 3.34Å; H307-Y310 WeakPolarHBondContact ND1-CD2 3.37Å; H307-Y310 AromaticContact ND1-CG 3.76Å; H307-Y310 PolarHBondContact ND1-N 3.26Å; H307-Y310 VanDerWaalsContact ND1-N 3.17Å; H307-Y310 AromaticContact NE2-CD2 3.94Å; Y310-I330 HydrophobicContact CD1-CD1 3.87Å; Y310-I330 HydrophobicContact CE1-CD1 3.87Å; Y310-V338 HydrophobicContact CD1-CG1 4.39Å; Y310-V338 HydrophobicContact CG-CG1 4.26Å; Y310-Y339 WeakPolarHBondContact CA-O 3.49Å; Y310-R341 PolarHBondContact O-NH2 2.9Å
311V91.8Very high89.4Confident3 Ų356.4 Ų56.42%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-148.2139.8176.462.50000108.5D315 L316 Y339 V344V311-D315 HydrophobicContact CG2-CB 4.43Å; V311-L316 HydrophobicContact CG1-CD2 4.47Å; V311-L316 HydrophobicContact CG2-CD2 4Å; V311-Y339 PolarHBondContact N-O 3.45Å; V311-Y339 PolarHBondContact O-N 2.98Å; V311-V344 HydrophobicContact CB-CG2 4.23Å; V311-V344 HydrophobicContact CG1-CG2 3.3Å; V311-V344 HydrophobicContact CG2-CG2 4.37Å
312L94.3Very high89.6Confident0 Ų054.5 Ų54.50%027%0.267CS..EExtended strand (participates in β ladder)trans-85.1144.9169.1-60.9174.2000108.7I301 Y304 R314 D315 C333 V336 V338I301-L312 HydrophobicContact CB-CD1 4.37Å; I301-L312 HydrophobicContact CG2-CD1 3.71Å; Y304-L312 HydrophobicContact CD1-CD2 4.07Å; Y304-L312 HydrophobicContact CD1-CG 4.14Å; Y304-L312 HydrophobicContact CD2-CD1 3.95Å; Y304-L312 HydrophobicContact CD2-CD2 4.04Å; Y304-L312 HydrophobicContact CD2-CG 4.08Å; Y304-L312 HydrophobicContact CE1-CD2 4.35Å; Y304-L312 HydrophobicContact CE2-CD2 4.3Å; Y304-L312 HydrophobicContact CG-CD1 3.93Å; Y304-L312 HydrophobicContact CG-CD2 3.89Å; Y304-L312 HydrophobicContact CG-CG 3.67Å; L312-R314 HydrophobicContact CB-CG 3.89Å; L312-R314 PolarHBondContact O-N 2.91Å; L312-D315 HydrophobicContact CB-CB 4.39Å; L312-D315 WeakPolarHBondContact O-CB 3.44Å; L312-D315 PolarHBondContact O-N 3.38Å; L312-C333 HydrophobicContact CD2-CB 4.36Å; L312-V336 HydrophobicContact CB-CG1 4.04Å; L312-V336 HydrophobicContact CD1-CG1 4.45Å; L312-V336 HydrophobicContact CD2-CB 4.31Å; L312-V336 HydrophobicContact CD2-CG1 3.97Å; L312-V336 HydrophobicContact CG-CG1 4.38Å; L312-V338 HydrophobicContact CD2-CB 4.46Å; L312-V338 HydrophobicContact CD2-CG2 3.65Å
313E91.9Very high89.9Confident101 Ų10154.4 Ų54.447%0.47225%0.254SS..G310 helixtrans-54.2-39.5178-163.8-176.7170.100112.7D315 L316 P337 Y339E313-D315 PolarHBondContact O-N 2.85Å; E313-L316 HydrophobicContact CG-CD1 4.23Å; E313-L316 WeakPolarHBondContact O-CB 3.16Å; E313-L316 WeakPolarHBondContact O-CD1 3.43Å; E313-L316 VanDerWaalsContact O-CG 3.26Å; E313-L316 WeakPolarHBondContact O-CG 3.3Å; E313-L316 PolarHBondContact O-N 2.91Å; E313-P337 HydrophobicContact CB-CG 4.11Å; E313-P337 PolarHBondContact N-O 3.47Å; E313-P337 WeakPolarHBondContact OE2-CG 3.37Å; E313-Y339 HydrophobicContact CB-CD2 4.35Å; E313-Y339 HydrophobicContact CB-CE2 3.95Å; E313-Y339 HydrophobicContact CG-CE2 4.27Å
314R92.2Very high90.2Very high156 Ų15655 Ų5559%0.58926%0.262SS*.G310 helixtrans-64.8-20.9176.962.9171.552.2169.8-3.6114.7L312 V336L312-R314 HydrophobicContact CB-CG 3.89Å; L312-R314 PolarHBondContact O-N 2.91Å; R314-V336 HydrophobicContact CG-CG1 4.17Å; R314-V336 VanDerWaalsContact CZ-CG2 3.46Å
315D93.3Very high90.4Very high60 Ų6062 Ų6232%0.32129%0.292SS..G310 helixtrans-93.60.9-177.5-66.8-23.7000112.1V311 L312 E313 L317V311-D315 HydrophobicContact CG2-CB 4.43Å; L312-D315 HydrophobicContact CB-CB 4.39Å; L312-D315 WeakPolarHBondContact O-CB 3.44Å; L312-D315 PolarHBondContact O-N 3.38Å; E313-D315 PolarHBondContact O-N 2.85Å; D315-L317 PolarHBondContact O-N 3.4Å
316L93.2Very high90.8Very high37 Ų3760.6 Ų60.619%0.19429%0.292CS..  trans-64.8128.8174.5-64.7173.8000110.5V311 E313 L322 V344V311-L316 HydrophobicContact CG1-CD2 4.47Å; V311-L316 HydrophobicContact CG2-CD2 4Å; E313-L316 HydrophobicContact CG-CD1 4.23Å; E313-L316 WeakPolarHBondContact O-CB 3.16Å; E313-L316 WeakPolarHBondContact O-CD1 3.43Å; E313-L316 VanDerWaalsContact O-CG 3.26Å; E313-L316 WeakPolarHBondContact O-CG 3.3Å; E313-L316 PolarHBondContact O-N 2.91Å; L316-L322 HydrophobicContact CD1-CD1 4.19Å; L316-L322 HydrophobicContact CD1-CG 3.91Å; L316-V344 HydrophobicContact CD2-CB 4.37Å; L316-V344 HydrophobicContact CD2-CG1 3.81Å; L316-V344 HydrophobicContact CD2-CG2 3.62Å
317L94Very high91.5Very high110 Ų11058.2 Ų58.258%0.57628%0.28SS*.  trans-69.8163.5179.1-59.9179.1000111.7D315 F319 Q320 K368D315-L317 PolarHBondContact O-N 3.4Å; L317-F319 PolarHBondContact O-N 3.24Å; L317-F319 VanDerWaalsContact O-N 3.08Å; L317-Q320 HydrophobicContact CB-CB 4.38Å; L317-Q320 HydrophobicContact CB-CG 4.12Å; L317-Q320 PolarHBondContact O-N 2.9Å; L317-K368 PolarHBondContact O-NZ 3.19Å
318K93.7Very high92Very high95 Ų9565.2 Ų65.241%0.41331%0.313SS..THydrogen-bonded Turntrans-47.5-41.9178.5-178.7177.3179.91760113.2K368 V370 K371K318-K368 VanDerWaalsContact O-CE 3.24Å; K318-K368 WeakPolarHBondContact O-CE 3.42Å; K318-K368 PolarHBondContact O-NZ 3.38Å; K318-V370 HydrophobicContact CG-CB 4.25Å; K318-V370 HydrophobicContact CG-CG1 4.06Å; K318-V370 HydrophobicContact CG-CG2 4.37Å; K318-K371 WeakPolarHBondContact CE-O 3.19Å; K318-K371 PolarHBondContact NZ-O 3.49Å
319F95.9Very high92.8Very high73 Ų7365.5 Ų65.532%0.3232%0.315SS..THydrogen-bonded Turntrans-100.422.5-177.1-57.8-70.7000113.3L317 Q346 L347 V370 L388 L390L317-F319 PolarHBondContact O-N 3.24Å; L317-F319 VanDerWaalsContact O-N 3.08Å; F319-Q346 VanDerWaalsContact CB-NE2 3.31Å; F319-Q346 PolarHBondContact O-NE2 2.87Å; F319-L347 PolarHBondContact O-N 3.5Å; F319-V370 HydrophobicContact CE1-CG2 4.17Å; F319-L388 HydrophobicContact CE1-CD2 3.8Å; F319-L388 HydrophobicContact CZ-CD2 4.43Å; F319-L390 HydrophobicContact CD1-CD1 3.63Å; F319-L390 HydrophobicContact CD1-CD2 3.73Å; F319-L390 HydrophobicContact CD1-CG 4.35Å; F319-L390 HydrophobicContact CE1-CD1 4.26Å; F319-L390 HydrophobicContact CE1-CD2 4Å
320Q95.5Very high93.2Very high35 Ų3566.7 Ų66.716%0.16432%0.321CS..EExtended strand (participates in β ladder)trans-121.8152176.7-70.9175.5-14.200110.3L317 V344 H345 K368L317-Q320 HydrophobicContact CB-CB 4.38Å; L317-Q320 HydrophobicContact CB-CG 4.12Å; L317-Q320 PolarHBondContact O-N 2.9Å; Q320-V344 HydrophobicContact CB-CG1 3.91Å; Q320-V344 HydrophobicContact CG-CG1 4.11Å; Q320-H345 WeakPolarHBondContact CA-O 3.48Å; Q320-K368 PolarHBondContact O-NZ 3.28Å
321A96.1Very high93.3Very high13 Ų1367 Ų6711%0.10733%0.327CS..EExtended strand (participates in β ladder)trans-150.2162.116900000110.3H345 L347 Y367A321-H345 PolarHBondContact N-O 2.9Å; A321-H345 VanDerWaalsContact N-O 3.14Å; A321-H345 PolarHBondContact O-N 3.17Å; A321-L347 HydrophobicContact CB-CD1 3.71Å; A321-L347 HydrophobicContact CB-CG 4.25Å; A321-Y367 HydrophobicContact CB-CD1 3.8Å; A321-Y367 HydrophobicContact CB-CE1 3.62Å
322L96.1Very high93.3Very high18 Ų1874.3 Ų74.39%0.09436%0.355CS..EExtended strand (participates in β ladder)trans-78.9138.4170.4-66.4167.2000109.3L316 V327 Y339 A343 V344 Y367L316-L322 HydrophobicContact CD1-CD1 4.19Å; L316-L322 HydrophobicContact CD1-CG 3.91Å; L322-V327 HydrophobicContact CB-CG1 3.73Å; L322-V327 HydrophobicContact CD1-CG1 4.09Å; L322-V327 HydrophobicContact CD2-CG1 4.41Å; L322-V327 HydrophobicContact CG-CG1 4.29Å; L322-Y339 HydrophobicContact CD1-CD1 3.77Å; L322-Y339 HydrophobicContact CD1-CD2 3.48Å; L322-Y339 VanDerWaalsContact CD1-CD2 3.48Å; L322-Y339 HydrophobicContact CD1-CE1 3.83Å; L322-Y339 HydrophobicContact CD1-CE2 3.53Å; L322-Y339 HydrophobicContact CD1-CG 3.58Å; L322-Y339 HydrophobicContact CD2-CD1 4.28Å; L322-Y339 HydrophobicContact CD2-CD2 4.33Å; L322-Y339 HydrophobicContact CD2-CG 3.85Å; L322-Y339 HydrophobicContact CG-CG 4.38Å; L322-A343 CarbonylContact C-O 3.47Å; L322-A343 VanDerWaalsContact CA-O 3.27Å; L322-A343 WeakPolarHBondContact CA-O 3.39Å; L322-A343 HydrophobicContact CD2-CB 4.16Å; L322-V344 HydrophobicContact CD2-CG2 3.9Å; L322-Y367 WeakPolarHBondContact O-CE1 3.5Å; L322-Y367 PolarHBondContact O-OH 3.49Å
323Y94.9Very high93.2Very high87 Ų8774.6 Ų74.634%0.34136%0.357SS..SBendtrans-134.6136.7172174.9-92.7000110.6A343 Y367 W394Y323-A343 PolarHBondContact N-O 3.47Å; Y323-Y367 HydrophobicContact CD2-CE2 4.13Å; Y323-W394 HydrophobicContact CD1-CD2 4.3Å; Y323-W394 AromaticContact CD1-CE3 3.98Å; Y323-W394 HydrophobicContact CD1-CE3 3.98Å; Y323-W394 HydrophobicContact CD1-CZ3 4.17Å; Y323-W394 AromaticContact CD2-CD2 3.48Å; Y323-W394 HydrophobicContact CD2-CD2 3.48Å; Y323-W394 VanDerWaalsContact CD2-CD2 3.48Å; Y323-W394 AromaticContact CD2-CE2 3.21Å; Y323-W394 AromaticContact CD2-CE3 3.83Å; Y323-W394 HydrophobicContact CD2-CE3 3.83Å; Y323-W394 HydrophobicContact CD2-CG 4.09Å; Y323-W394 AromaticContact CD2-CH2 3.77Å; Y323-W394 HydrophobicContact CD2-CH2 3.77Å; Y323-W394 AromaticContact CD2-CZ2 3.4Å; Y323-W394 HydrophobicContact CD2-CZ2 3.4Å; Y323-W394 VanDerWaalsContact CD2-CZ2 3.4Å; Y323-W394 AromaticContact CD2-CZ3 3.96Å; Y323-W394 HydrophobicContact CD2-CZ3 3.96Å; Y323-W394 AromaticContact CD2-NE1 3.62Å; Y323-W394 HydrophobicContact CE1-CD2 4.28Å; Y323-W394 HydrophobicContact CE1-CE3 4.25Å; Y323-W394 HydrophobicContact CE1-CG 4.47Å; Y323-W394 HydrophobicContact CE2-CB 4.37Å; Y323-W394 AromaticContact CE2-CD1 3.48Å; Y323-W394 VanDerWaalsContact CE2-CD1 3.48Å; Y323-W394 AromaticContact CE2-CD2 3.45Å; Y323-W394 HydrophobicContact CE2-CD2 3.45Å; Y323-W394 VanDerWaalsContact CE2-CD2 3.45Å; Y323-W394 AromaticContact CE2-CE2 3.45Å; Y323-W394 VanDerWaalsContact CE2-CE2 3.45Å; Y323-W394 HydrophobicContact CE2-CE3 4.11Å; Y323-W394 AromaticContact CE2-CG 3.53Å; Y323-W394 HydrophobicContact CE2-CG 3.53Å; Y323-W394 HydrophobicContact CE2-CZ2 4.13Å; Y323-W394 AromaticContact CE2-NE1 3.42Å; Y323-W394 AromaticContact CG-CD2 3.92Å; Y323-W394 HydrophobicContact CG-CD2 3.92Å; Y323-W394 AromaticContact CG-CE2 3.96Å; Y323-W394 AromaticContact CG-CE3 3.76Å; Y323-W394 HydrophobicContact CG-CE3 3.76Å; Y323-W394 AromaticContact CG-CH2 3.75Å; Y323-W394 HydrophobicContact CG-CH2 3.75Å; Y323-W394 AromaticContact CG-CZ2 3.9Å; Y323-W394 HydrophobicContact CG-CZ2 3.9Å; Y323-W394 AromaticContact CG-CZ3 3.67Å; Y323-W394 HydrophobicContact CG-CZ3 3.67Å; Y323-W394 AromaticContact CZ-CD2 3.87Å; Y323-W394 AromaticContact CZ-CG 3.75Å
324P94.8Very high93.1Very high59 Ų5974.1 Ų74.138%0.38336%0.364SS..SBendcis-58.9164.9-10.5-26.738.5000114.1D326 V327P324-D326 WeakPolarHBondContact CB-OD1 3.32Å; P324-D326 PolarHBondContact O-N 3.42Å; P324-V327 WeakPolarHBondContact O-CB 3.46Å; P324-V327 WeakPolarHBondContact O-CG1 3.46Å; P324-V327 PolarHBondContact O-N 2.96Å
325K91.2Very high93Very high148 Ų14876 Ų7664%0.64338%0.377SS*.THydrogen-bonded Turntrans-63.5-28.9-176.4-73.9-169.8177.4174.40112.1V327 Y367K325-V327 VanDerWaalsContact C-N 3.34Å; K325-Y367 HydrophobicContact CD-CE2 4.1Å; K325-Y367 VanDerWaalsContact CE-CE2 3.41Å; K325-Y367 HydrophobicContact CG-CE1 4.02Å; K325-Y367 HydrophobicContact CG-CE2 3.64Å; K325-Y367 WeakPolarHBondContact CG-OH 3.48Å; K325-Y367 PolarHBondContact N-OH 3.28Å
326D92.9Very high93Very high122 Ų12273.7 Ų73.765%0.65237%0.365SS*.THydrogen-bonded Turntrans-92.413.9-177.460-48.2000113.3P324 Q328P324-D326 WeakPolarHBondContact CB-OD1 3.32Å; P324-D326 PolarHBondContact O-N 3.42Å; D326-Q328 PolarHBondContact O-N 2.9Å; D326-Q328 PolarHBondContact O-NE2 2.86Å
327V92.2Very high93.1Very high38 Ų3873 Ų7323%0.2336%0.363CS..PPolyproline II helixtrans-54.9130.6176.566.70000110.4L322 P324 K325 Y339 A343L322-V327 HydrophobicContact CB-CG1 3.73Å; L322-V327 HydrophobicContact CD1-CG1 4.09Å; L322-V327 HydrophobicContact CD2-CG1 4.41Å; L322-V327 HydrophobicContact CG-CG1 4.29Å; P324-V327 WeakPolarHBondContact O-CB 3.46Å; P324-V327 WeakPolarHBondContact O-CG1 3.46Å; P324-V327 PolarHBondContact O-N 2.96Å; K325-V327 VanDerWaalsContact C-N 3.34Å; V327-Y339 HydrophobicContact CG1-CD1 3.78Å; V327-Y339 HydrophobicContact CG1-CE1 3.81Å; V327-Y339 HydrophobicContact CG2-CD1 4.47Å; V327-Y339 WeakPolarHBondContact O-CE1 3.43Å; V327-A343 HydrophobicContact CG2-CB 4.2Å
328Q92.9Very high93Very high153 Ų15367.8 Ų67.872%0.71534%0.335SS*.PPolyproline II helixtrans-79.2139.1179.9-64.5-61.2-44.200110.6D326D326-Q328 PolarHBondContact O-N 2.9Å; D326-Q328 PolarHBondContact O-NE2 2.86Å
329P92.6Very high93Very high28 Ų2864.5 Ų64.518%0.18232%0.32CS..PPolyproline II helixtrans-65.9141.7172.927.8-32.5000110.1G331 Y332 P337 V338 Y339P329-G331 PolarHBondContact O-N 2.8Å; P329-Y332 HydrophobicContact CG-CE1 4.46Å; P329-Y332 HydrophobicContact CG-CE2 4.29Å; P329-Y332 WeakPolarHBondContact CG-OH 3.45Å; P329-P337 HydrophobicContact CB-CB 3.8Å; P329-P337 HydrophobicContact CG-CB 4.36Å; P329-V338 CarbonylContact C-O 3.55Å; P329-V338 WeakPolarHBondContact CA-O 3.43Å; P329-Y339 HydrophobicContact CB-CD1 4.48Å; P329-Y339 HydrophobicContact CB-CE1 3.98Å
330I89.4Confident92.7Very high58 Ų5866.2 Ų66.230%0.29733%0.325SS..SBendtrans-72.3-27.1175.9-42.8170.5000110.4Y310 V338 R340Y310-I330 HydrophobicContact CD1-CD1 3.87Å; Y310-I330 HydrophobicContact CE1-CD1 3.87Å; I330-V338 PolarHBondContact N-O 3.01Å; I330-R340 HydrophobicContact CD1-CB 4.17Å; I330-R340 HydrophobicContact CD1-CG 3.17Å; I330-R340 HydrophobicContact CG1-CG 3.87Å
331G90.9Very high92.3Very high14 Ų1466.6 Ų66.614%0.14433%0.325CS..EExtended strand (participates in β ladder)trans178.1-164.6178.700000110.9P329 V338P329-G331 PolarHBondContact O-N 2.8Å; G331-V338 WeakPolarHBondContact O-CB 3.44Å; G331-V338 PolarHBondContact O-N 3.34Å
332Y92.1Very high91.9Very high155 Ų15570.5 Ų70.561%0.60835%0.351SS*.EExtended strand (participates in β ladder)trans-134.1133.7-174.4-63-93.9000110.8P329 V336 P337P329-Y332 HydrophobicContact CG-CE1 4.46Å; P329-Y332 HydrophobicContact CG-CE2 4.29Å; P329-Y332 WeakPolarHBondContact CG-OH 3.45Å; Y332-V336 WeakPolarHBondContact CA-O 3.35Å; Y332-P337 HydrophobicContact CD1-CB 4.23Å; Y332-P337 HydrophobicContact CE1-CB 3.96Å
333C91.3Very high91.7Very high6 Ų670.2 Ų70.24%0.04135%0.352CS..EExtended strand (participates in β ladder)trans-108.9111.7167.6-176.40000108.4K299 Y304 L312 K335 V336 V338K299-C333 PolarHBondContact O-SG 2.96Å; Y304-C333 HydrophobicContact CD2-CB 4.35Å; Y304-C333 HydrophobicContact CE2-CB 3.47Å; Y304-C333 VanDerWaalsContact CE2-CB 3.47Å; Y304-C333 VanDerWaalsContact CE2-SG 3.58Å; L312-C333 HydrophobicContact CD2-CB 4.36Å; C333-K335 VanDerWaalsContact C-N 3.31Å; C333-K335 PolarHBondContact O-N 2.68Å; C333-V336 PolarHBondContact N-O 3.1Å; C333-V336 WeakPolarHBondContact O-CB 3.5Å; C333-V336 PolarHBondContact O-N 3.31Å; C333-V338 HydrophobicContact CB-CG2 4.07Å
334S89.6Confident91.6Very high91 Ų9167.2 Ų67.264%0.63634%0.342SS*.THydrogen-bonded Turntrans50.547.7-179-56.40000113.3V336S334-V336 PolarHBondContact O-N 3.18Å
335K90.9Very high91.6Very high197 Ų19767.5 Ų67.586%0.85734%0.338SS*.THydrogen-bonded Turntrans68.62.3-176.1-51176.9178.6179.80116C333C333-K335 VanDerWaalsContact C-N 3.31Å; C333-K335 PolarHBondContact O-N 2.68Å
336V93.5Very high91.7Very high11 Ų1164.8 Ų64.87%0.06733%0.328CS..EExtended strand (participates in β ladder)trans-90.7126.3174.3-172.40000109I301 L312 R314 Y332 C333 S334I301-V336 HydrophobicContact CD1-CG2 4.47Å; L312-V336 HydrophobicContact CB-CG1 4.04Å; L312-V336 HydrophobicContact CD1-CG1 4.45Å; L312-V336 HydrophobicContact CD2-CB 4.31Å; L312-V336 HydrophobicContact CD2-CG1 3.97Å; L312-V336 HydrophobicContact CG-CG1 4.38Å; R314-V336 HydrophobicContact CG-CG1 4.17Å; R314-V336 VanDerWaalsContact CZ-CG2 3.46Å; Y332-V336 WeakPolarHBondContact CA-O 3.35Å; C333-V336 PolarHBondContact N-O 3.1Å; C333-V336 WeakPolarHBondContact O-CB 3.5Å; C333-V336 PolarHBondContact O-N 3.31Å; S334-V336 PolarHBondContact O-N 3.18Å
337P93.6Very high91.9Very high23 Ų2359 Ų5915%0.14930%0.297CS..EExtended strand (participates in β ladder)trans-66.1137178.926.8-33.8000111.2E313 P329 Y332 Y339E313-P337 HydrophobicContact CB-CG 4.11Å; E313-P337 PolarHBondContact N-O 3.47Å; E313-P337 WeakPolarHBondContact OE2-CG 3.37Å; P329-P337 HydrophobicContact CB-CB 3.8Å; P329-P337 HydrophobicContact CG-CB 4.36Å; Y332-P337 HydrophobicContact CD1-CB 4.23Å; Y332-P337 HydrophobicContact CE1-CB 3.96Å; P337-Y339 HydrophobicContact CB-CE2 3.68Å; P337-Y339 HydrophobicContact CG-CE2 3.92Å
338V93.6Very high92.1Very high0 Ų058.4 Ų58.40%029%0.292CS..EExtended strand (participates in β ladder)trans-107.4127.6179.7-178.50000108.7L297 Y304 Y310 L312 P329 I330 G331 C333L297-V338 HydrophobicContact CD2-CG1 4.13Å; Y304-V338 HydrophobicContact CD1-CG1 4.18Å; Y304-V338 HydrophobicContact CE1-CB 4.31Å; Y304-V338 HydrophobicContact CE1-CG1 3.45Å; Y304-V338 VanDerWaalsContact CE1-CG1 3.45Å; Y304-V338 HydrophobicContact CE1-CG2 3.82Å; Y304-V338 WeakPolarHBondContact OH-CG2 3.42Å; Y310-V338 HydrophobicContact CD1-CG1 4.39Å; Y310-V338 HydrophobicContact CG-CG1 4.26Å; L312-V338 HydrophobicContact CD2-CB 4.46Å; L312-V338 HydrophobicContact CD2-CG2 3.65Å; P329-V338 CarbonylContact C-O 3.55Å; P329-V338 WeakPolarHBondContact CA-O 3.43Å; I330-V338 PolarHBondContact N-O 3.01Å; G331-V338 WeakPolarHBondContact O-CB 3.44Å; G331-V338 PolarHBondContact O-N 3.34Å; C333-V338 HydrophobicContact CB-CG2 4.07Å
339Y92.5Very high92.2Very high25 Ų2551.6 Ų51.610%0.09826%0.264CS..EExtended strand (participates in β ladder)trans-116.5159178.6-63.6-83.3000111.5Y310 V311 E313 L322 V327 P329 P337Y310-Y339 WeakPolarHBondContact CA-O 3.49Å; V311-Y339 PolarHBondContact N-O 3.45Å; V311-Y339 PolarHBondContact O-N 2.98Å; E313-Y339 HydrophobicContact CB-CD2 4.35Å; E313-Y339 HydrophobicContact CB-CE2 3.95Å; E313-Y339 HydrophobicContact CG-CE2 4.27Å; L322-Y339 HydrophobicContact CD1-CD1 3.77Å; L322-Y339 HydrophobicContact CD1-CD2 3.48Å; L322-Y339 VanDerWaalsContact CD1-CD2 3.48Å; L322-Y339 HydrophobicContact CD1-CE1 3.83Å; L322-Y339 HydrophobicContact CD1-CE2 3.53Å; L322-Y339 HydrophobicContact CD1-CG 3.58Å; L322-Y339 HydrophobicContact CD2-CD1 4.28Å; L322-Y339 HydrophobicContact CD2-CD2 4.33Å; L322-Y339 HydrophobicContact CD2-CG 3.85Å; L322-Y339 HydrophobicContact CG-CG 4.38Å; V327-Y339 HydrophobicContact CG1-CD1 3.78Å; V327-Y339 HydrophobicContact CG1-CE1 3.81Å; V327-Y339 HydrophobicContact CG2-CD1 4.47Å; V327-Y339 WeakPolarHBondContact O-CE1 3.43Å; P329-Y339 HydrophobicContact CB-CD1 4.48Å; P329-Y339 HydrophobicContact CB-CE1 3.98Å; P337-Y339 HydrophobicContact CB-CE2 3.68Å; P337-Y339 HydrophobicContact CG-CE2 3.92Å
340R89.2Confident92.3Very high110 Ų11057 Ų5742%0.41528%0.284SS..EExtended strand (participates in β ladder)trans-67.5138.4169.2-65-173.3-171.4176.95.5108.3V293 L309 I330 S342 A343V293-R340 VanDerWaalsContact CG1-NH2 3.26Å; L309-R340 CarbonylContact O-C 3.38Å; L309-R340 WeakPolarHBondContact O-CA 2.84Å; I330-R340 HydrophobicContact CD1-CB 4.17Å; I330-R340 HydrophobicContact CD1-CG 3.17Å; I330-R340 HydrophobicContact CG1-CG 3.87Å; R340-S342 WeakPolarHBondContact CB-OG 3.45Å; R340-S342 PolarHBondContact O-N 2.83Å; R340-A343 WeakPolarHBondContact O-CB 3.04Å; R340-A343 PolarHBondContact O-N 3.17Å; R340-A343 VanDerWaalsContact O-N 3.1Å
341R88Confident92.5Very high43 Ų4361.3 Ų61.316%0.16230%0.303CS..G310 helixtrans-63.6-28.2173.3-172.8172.1-64.6-78.5-2.7111.8H307 P308 L309 Y310 A343 V344H307-R341 PolarHBondContact O-NE 2.99Å; H307-R341 PolarHBondContact O-NH2 3.05Å; P308-R341 WeakPolarHBondContact O-CD 3.47Å; L309-R341 PolarHBondContact O-N 3.19Å; Y310-R341 PolarHBondContact O-NH2 2.9Å; R341-A343 PolarHBondContact O-N 3.27Å; R341-V344 WeakPolarHBondContact O-CB 3.27Å; R341-V344 PolarHBondContact O-N 3.24Å
342S87Confident92.6Very high95 Ų9561.4 Ų61.466%0.66430%0.303SS*.G310 helixtrans-61.9-24.4173.955.50000113.7R340 V344R340-S342 WeakPolarHBondContact CB-OG 3.45Å; R340-S342 PolarHBondContact O-N 2.83Å; S342-V344 VanDerWaalsContact C-N 3.28Å
343A91.6Very high92.9Very high12 Ų1254.4 Ų54.410%0.09928%0.275CS..G310 helixtrans-80.6-6.8174.100000113L322 Y323 V327 R340 R341 H345L322-A343 CarbonylContact C-O 3.47Å; L322-A343 VanDerWaalsContact CA-O 3.27Å; L322-A343 WeakPolarHBondContact CA-O 3.39Å; L322-A343 HydrophobicContact CD2-CB 4.16Å; Y323-A343 PolarHBondContact N-O 3.47Å; V327-A343 HydrophobicContact CG2-CB 4.2Å; R340-A343 WeakPolarHBondContact O-CB 3.04Å; R340-A343 PolarHBondContact O-N 3.17Å; R340-A343 VanDerWaalsContact O-N 3.1Å; R341-A343 PolarHBondContact O-N 3.27Å; A343-H345 PolarHBondContact O-CD2 2.93Å
344V93Very high93Very high24 Ų2456.2 Ų56.215%0.14528%0.284CS..EExtended strand (participates in β ladder)trans-88.3117.5178.8-177.70000109.6V311 L316 Q320 L322 R341 S342V311-V344 HydrophobicContact CB-CG2 4.23Å; V311-V344 HydrophobicContact CG1-CG2 3.3Å; V311-V344 HydrophobicContact CG2-CG2 4.37Å; L316-V344 HydrophobicContact CD2-CB 4.37Å; L316-V344 HydrophobicContact CD2-CG1 3.81Å; L316-V344 HydrophobicContact CD2-CG2 3.62Å; Q320-V344 HydrophobicContact CB-CG1 3.91Å; Q320-V344 HydrophobicContact CG-CG1 4.11Å; L322-V344 HydrophobicContact CD2-CG2 3.9Å; R341-V344 WeakPolarHBondContact O-CB 3.27Å; R341-V344 PolarHBondContact O-N 3.24Å; S342-V344 VanDerWaalsContact C-N 3.28Å
345H94.8Very high93.2Very high64 Ų6457 Ų5730%0.29627%0.273SS..EExtended strand (participates in β ladder)trans-112.4142.9177.5-69.5-96.8000111.7Q320 A321 A343 W394Q320-H345 WeakPolarHBondContact CA-O 3.48Å; A321-H345 PolarHBondContact N-O 2.9Å; A321-H345 VanDerWaalsContact N-O 3.14Å; A321-H345 PolarHBondContact O-N 3.17Å; A343-H345 PolarHBondContact O-CD2 2.93Å; H345-W394 HydrophobicContact CB-CH2 3.84Å; H345-W394 HydrophobicContact CB-CZ3 3.49Å; H345-W394 VanDerWaalsContact CB-CZ3 3.49Å; H345-W394 AromaticContact CG-CZ3 3.61Å; H345-W394 AromaticContact ND1-CZ3 3.96Å
346Q94.4Very high93.3Very high91 Ų9151.3 Ų51.343%0.42525%0.25SC..EExtended strand (participates in β ladder)trans-73.5132.3171.5-173.864.627.100109.3F319F319-Q346 VanDerWaalsContact CB-NE2 3.31Å; F319-Q346 PolarHBondContact O-NE2 2.87Å
347L96.9Very high93.4Very high0 Ų050.8 Ų50.80%025%0.246CC..  trans-109139.4174.3-50.3179.7000109.6F319 A321 Y367 K368 L390 Y391 W394F319-L347 PolarHBondContact O-N 3.5Å; A321-L347 HydrophobicContact CB-CD1 3.71Å; A321-L347 HydrophobicContact CB-CG 4.25Å; L347-Y367 HydrophobicContact CD1-CD1 4.05Å; L347-Y367 HydrophobicContact CD2-CD1 4.2Å; L347-K368 HydrophobicContact CD1-CB 3.56Å; L347-K368 HydrophobicContact CD1-CD 4.02Å; L347-K368 HydrophobicContact CD1-CG 4.43Å; L347-L390 HydrophobicContact CB-CB 3.8Å; L347-L390 HydrophobicContact CB-CD1 4.35Å; L347-L390 HydrophobicContact CD1-CB 4.2Å; L347-Y391 WeakPolarHBondContact CA-O 3.43Å; L347-W394 HydrophobicContact CD2-CH2 3.79Å; L347-W394 HydrophobicContact CD2-CZ2 4.15Å
348N96.3Very high93.6Very high26 Ų2652.5 Ų52.514%0.13925%0.25CC..BIsolated β-bridgetrans-128.2152.7-177.6-76.7-31.3000110.3A352 W353 E356 Y391N348-A352 HydrophobicContact CB-CB 3.86Å; N348-W353 HydrophobicContact CB-CD2 3.97Å; N348-W353 HydrophobicContact CB-CG 4.16Å; N348-W353 HydrophobicContact CB-CZ2 3.97Å; N348-W353 PolarHBondContact O-NE1 2.86Å; N348-W353 VanDerWaalsContact O-NE1 3.08Å; N348-E356 PolarHBondContact ND2-OE1 3.35Å; N348-Y391 PolarHBondContact N-O 3.47Å; N348-Y391 PolarHBondContact O-N 2.88Å
349G95.6Very high93.8Very high11 Ų1154.4 Ų54.411%0.11326%0.261CS..  trans-78166.3169.900000111.6E351 A352 W353 L389G349-E351 VanDerWaalsContact C-N 3.34Å; G349-E351 PolarHBondContact O-N 3Å; G349-A352 WeakPolarHBondContact O-CB 3.34Å; G349-A352 PolarHBondContact O-N 2.66Å; G349-W353 PolarHBondContact O-N 3.08Å; G349-W353 VanDerWaalsContact O-N 3.08Å; G349-L389 WeakPolarHBondContact CA-O 3.35Å
350K94.9Very high94Very high140 Ų14054.6 Ų54.661%0.60926%0.264SS*.Hα-helixtrans-48.3-49.5-177.9-175.9171.9-178.1172.40113.8A352 W353 I354 I360K350-A352 VanDerWaalsContact C-N 3.31Å; K350-A352 PolarHBondContact O-N 3.16Å; K350-W353 PolarHBondContact O-N 3.41Å; K350-I354 HydrophobicContact CG-CD1 4.26Å; K350-I354 WeakPolarHBondContact O-CG1 3.45Å; K350-I354 PolarHBondContact O-N 3Å; K350-I354 VanDerWaalsContact O-N 3.09Å; K350-I360 HydrophobicContact CB-CD1 3.74Å; K350-I360 HydrophobicContact CD-CD1 4.47Å; K350-I360 HydrophobicContact CG-CD1 3.95Å
351E92.6Very high94.4Very high149 Ų14953 Ų5370%0.69626%0.26SS*.Hα-helixtrans-63.7-34.6179.9-64.2176.1179.400113.1G349 I354 R355G349-E351 VanDerWaalsContact C-N 3.34Å; G349-E351 PolarHBondContact O-N 3Å; E351-I354 PolarHBondContact O-N 3.23Å; E351-R355 PolarHBondContact O-N 2.92Å
352A94.1Very high94.6Very high17 Ų1757.9 Ų57.914%0.1429%0.289CS..Hα-helixtrans-71.1-38.9178.100000111.3N348 G349 K350 I354 R355 E356N348-A352 HydrophobicContact CB-CB 3.86Å; G349-A352 WeakPolarHBondContact O-CB 3.34Å; G349-A352 PolarHBondContact O-N 2.66Å; K350-A352 VanDerWaalsContact C-N 3.31Å; K350-A352 PolarHBondContact O-N 3.16Å; A352-I354 VanDerWaalsContact C-N 3.35Å; A352-I354 PolarHBondContact O-N 3.2Å; A352-R355 PolarHBondContact O-N 3.42Å; A352-E356 PolarHBondContact O-N 3.25Å
353W96.7Very high94.9Very high7 Ų761.5 Ų61.53%0.02730%0.301CS..Hα-helixtrans-63.1-38.9172.9-74.9122.6000112.9N348 G349 K350 R355 E356 A357 R358 Y391 L393 T396N348-W353 HydrophobicContact CB-CD2 3.97Å; N348-W353 HydrophobicContact CB-CG 4.16Å; N348-W353 HydrophobicContact CB-CZ2 3.97Å; N348-W353 PolarHBondContact O-NE1 2.86Å; N348-W353 VanDerWaalsContact O-NE1 3.08Å; G349-W353 PolarHBondContact O-N 3.08Å; G349-W353 VanDerWaalsContact O-N 3.08Å; K350-W353 PolarHBondContact O-N 3.41Å; W353-R355 VanDerWaalsContact C-N 3.3Å; W353-R355 PolarHBondContact O-N 2.9Å; W353-E356 HydrophobicContact CE3-CB 4.4Å; W353-E356 WeakPolarHBondContact CZ3-OE2 3.39Å; W353-E356 CarbonylContact O-C 3.42Å; W353-E356 WeakPolarHBondContact O-CA 3.22Å; W353-E356 WeakPolarHBondContact O-CB 3.26Å; W353-E356 PolarHBondContact O-N 2.92Å; W353-A357 PolarHBondContact O-N 3.16Å; W353-R358 CarbonylContact C-O 3.49Å; W353-R358 HydrophobicContact CE3-CB 4.31Å; W353-R358 PolarHBondContact O-N 3.28Å; W353-Y391 VanDerWaalsContact CZ2-O 3.31Å; W353-Y391 WeakPolarHBondContact CZ2-O 3.48Å; W353-Y391 PolarHBondContact NE1-O 2.83Å; W353-L393 HydrophobicContact CH2-CB 3.87Å; W353-L393 HydrophobicContact CH2-CD1 3.92Å; W353-L393 HydrophobicContact CZ3-CD1 3.72Å; W353-T396 HydrophobicContact CD2-CG2 3.72Å; W353-T396 HydrophobicContact CE3-CG2 4.22Å; W353-T396 HydrophobicContact CG-CG2 3.88Å; W353-T396 HydrophobicContact CZ2-CG2 4.39Å
354I94.5Very high95Very high44 Ų4464 Ų6423%0.22631%0.311CS..Hα-helixtrans-61.9-39.2175.4-67.3167.9000111.1K350 E351 A352 E356 A357 R358 Y420 M424K350-I354 HydrophobicContact CG-CD1 4.26Å; K350-I354 WeakPolarHBondContact O-CG1 3.45Å; K350-I354 PolarHBondContact O-N 3Å; K350-I354 VanDerWaalsContact O-N 3.09Å; E351-I354 PolarHBondContact O-N 3.23Å; A352-I354 VanDerWaalsContact C-N 3.35Å; A352-I354 PolarHBondContact O-N 3.2Å; I354-E356 PolarHBondContact O-N 3.44Å; I354-A357 VanDerWaalsContact O-CA 3.29Å; I354-A357 WeakPolarHBondContact O-CA 3.5Å; I354-A357 PolarHBondContact O-N 3.35Å; I354-R358 WeakPolarHBondContact CA-O 3.34Å; I354-R358 PolarHBondContact N-O 2.88Å; I354-Y420 HydrophobicContact CG2-CD2 4.43Å; I354-Y420 HydrophobicContact CG2-CE2 4.17Å; I354-M424 HydrophobicContact CG2-CE 4.09Å
355R93.6Very high95.1Very high109 Ų10970.4 Ų70.441%0.41134%0.339SS..Hα-helixtrans-64.2-28.6173.3-69.2-170.5-64.3-99.61.4113.2E351 A352 W353 A357 Y420 Q421E351-R355 PolarHBondContact O-N 2.92Å; A352-R355 PolarHBondContact O-N 3.42Å; W353-R355 VanDerWaalsContact C-N 3.3Å; W353-R355 PolarHBondContact O-N 2.9Å; R355-A357 PolarHBondContact O-N 3.36Å; R355-Y420 HydrophobicContact CB-CD2 4.33Å; R355-Y420 HydrophobicContact CB-CG 4.2Å; R355-Y420 HydrophobicContact CG-CD1 4.03Å; R355-Y420 HydrophobicContact CG-CD2 3.96Å; R355-Y420 HydrophobicContact CG-CE1 4.15Å; R355-Y420 HydrophobicContact CG-CE2 4.09Å; R355-Y420 HydrophobicContact CG-CG 3.93Å; R355-Y420 WeakPolarHBondContact O-CB 3.32Å; R355-Q421 PolarHBondContact O-NE2 2.9Å
356E93.3Very high95.2Very high77 Ų7769.2 Ų69.236%0.3634%0.337SS..THydrogen-bonded Turntrans-81.76170.6-67.3-178.4-157.100113.1N348 A352 W353 I354 R358 Q421 K423N348-E356 PolarHBondContact ND2-OE1 3.35Å; A352-E356 PolarHBondContact O-N 3.25Å; W353-E356 HydrophobicContact CE3-CB 4.4Å; W353-E356 WeakPolarHBondContact CZ3-OE2 3.39Å; W353-E356 CarbonylContact O-C 3.42Å; W353-E356 WeakPolarHBondContact O-CA 3.22Å; W353-E356 WeakPolarHBondContact O-CB 3.26Å; W353-E356 PolarHBondContact O-N 2.92Å; I354-E356 PolarHBondContact O-N 3.44Å; E356-R358 VanDerWaalsContact C-N 3.34Å; E356-R358 PolarHBondContact O-N 3.13Å; E356-Q421 VanDerWaalsContact C-NE2 3.31Å; E356-Q421 VanDerWaalsContact CA-NE2 3.26Å; E356-Q421 PolarHBondContact O-NE2 3.22Å; E356-K423 PolarHBondContact O-NZ 2.91Å
357A95.9Very high95.3Very high0 Ų066.3 Ų66.30%032%0.322CS..THydrogen-bonded Turntrans53.651-175.800000111.9W353 I354 R355 Y399 Q421 K423 M424W353-A357 PolarHBondContact O-N 3.16Å; I354-A357 VanDerWaalsContact O-CA 3.29Å; I354-A357 WeakPolarHBondContact O-CA 3.5Å; I354-A357 PolarHBondContact O-N 3.35Å; R355-A357 PolarHBondContact O-N 3.36Å; A357-Y399 WeakPolarHBondContact O-CB 3.35Å; A357-Y399 PolarHBondContact O-N 2.77Å; A357-Q421 HydrophobicContact CB-CB 3.99Å; A357-Q421 HydrophobicContact CB-CG 4.1Å; A357-K423 HydrophobicContact CB-CD 3.81Å; A357-K423 HydrophobicContact CB-CG 3.81Å; A357-K423 PolarHBondContact O-NZ 2.78Å; A357-M424 HydrophobicContact CB-CG 3.36Å; A357-M424 HydrophobicContact CB-SD 3.71Å
358R97.1Very high95.3Very high59 Ų5969.4 Ų69.422%0.22334%0.336CS..EExtended strand (participates in β ladder)trans-134.6152.3172.5-57.2-170.274.399.90.6109.9W353 I354 E356 T396 E397W353-R358 CarbonylContact C-O 3.49Å; W353-R358 HydrophobicContact CE3-CB 4.31Å; W353-R358 PolarHBondContact O-N 3.28Å; I354-R358 WeakPolarHBondContact CA-O 3.34Å; I354-R358 PolarHBondContact N-O 2.88Å; E356-R358 VanDerWaalsContact C-N 3.34Å; E356-R358 PolarHBondContact O-N 3.13Å; R358-T396 PolarHBondContact NE-OG1 3.46Å; R358-T396 PolarHBondContact NH2-O 2.75Å; R358-E397 CarbonylContact C-O 3.55Å; R358-E397 WeakPolarHBondContact CA-O 3.45Å; R358-E397 WeakPolarHBondContact CB-O 3.36Å
359V96.6Very high95.3Very high39 Ų3973.1 Ų73.124%0.23635%0.354CS..EExtended strand (participates in β ladder)trans-121149.4173.9-65.40000109.4T396 E397 Y399V359-T396 CarbonylContact O-C 3.53Å; V359-T396 WeakPolarHBondContact O-CA 3.44Å; V359-T396 VanDerWaalsContact O-CB 3.26Å; V359-T396 WeakPolarHBondContact O-CB 3.24Å; V359-E397 HydrophobicContact CG2-CG 3.56Å; V359-E397 PolarHBondContact N-O 2.87Å; V359-E397 PolarHBondContact O-N 3.23Å; V359-Y399 HydrophobicContact CG1-CD2 3.71Å
360I97.3Very high95.2Very high30 Ų3073.4 Ų73.415%0.15435%0.354CS..EExtended strand (participates in β ladder)trans-71.6132.4173.8-60.7158.1000106.6K350 E364 Y391 T396K350-I360 HydrophobicContact CB-CD1 3.74Å; K350-I360 HydrophobicContact CD-CD1 4.47Å; K350-I360 HydrophobicContact CG-CD1 3.95Å; I360-E364 HydrophobicContact CG2-CB 3.82Å; I360-E364 HydrophobicContact CG2-CG 4.45Å; I360-Y391 HydrophobicContact CD1-CD1 4.2Å; I360-Y391 HydrophobicContact CD1-CD2 3.36Å; I360-Y391 HydrophobicContact CD1-CE1 4.24Å; I360-Y391 HydrophobicContact CD1-CE2 3.44Å; I360-Y391 VanDerWaalsContact CD1-CE2 3.44Å; I360-Y391 HydrophobicContact CD1-CG 3.77Å; I360-Y391 HydrophobicContact CG1-CD1 4.26Å; I360-Y391 HydrophobicContact CG1-CD2 4.05Å; I360-Y391 HydrophobicContact CG1-CE2 4.46Å; I360-Y391 HydrophobicContact CG1-CG 3.94Å; I360-Y391 HydrophobicContact CG2-CD1 3.68Å; I360-Y391 HydrophobicContact CG2-CE1 3.72Å; I360-Y391 HydrophobicContact CG2-CG 4.23Å; I360-T396 HydrophobicContact CG1-CG2 4.39Å
361K97.2Very high95Very high77 Ų7773.2 Ų73.234%0.33535%0.353SS..PPolyproline II helixtrans-61.8151.8178.4-58.6167.4178.4166.20110E364 W394 Q395 E397K361-E364 HydrophobicContact CB-CG 3.73Å; K361-E364 PolarHBondContact O-N 3.25Å; K361-W394 PolarHBondContact NZ-O 3.26Å; K361-Q395 PolarHBondContact N-O 3.35Å; K361-E397 HydrophobicContact CG-CB 4.17Å; K361-E397 HydrophobicContact CG-CG 4.16Å
362D93.3Very high94.9Very high145 Ų14567.6 Ų67.678%0.77533%0.332SS*.THydrogen-bonded Turntrans-59.5141.1176.6-66.1-31.8000110.9E364D362-E364 VanDerWaalsContact C-N 3.27Å; D362-E364 PolarHBondContact O-N 3.47Å
363N92.9Very high94.4Very high170 Ų17077.5 Ų77.591%0.90937%0.366SS*.THydrogen-bonded Turntrans6513.5179.7-49.4-48.7000116.8
364E94.5Very high93.6Very high66 Ų6680.9 Ų80.931%0.30839%0.389SS..PPolyproline II helixtrans-74.8129.9172.6-73.7-79175.500112.4I360 K361 D362 Y391 Q395I360-E364 HydrophobicContact CG2-CB 3.82Å; I360-E364 HydrophobicContact CG2-CG 4.45Å; K361-E364 HydrophobicContact CB-CG 3.73Å; K361-E364 PolarHBondContact O-N 3.25Å; D362-E364 VanDerWaalsContact C-N 3.27Å; D362-E364 PolarHBondContact O-N 3.47Å; E364-Y391 HydrophobicContact CB-CE1 4.46Å; E364-Q395 HydrophobicContact CB-CB 4.4Å; E364-Q395 HydrophobicContact CG-CB 4.11Å; E364-Q395 WeakPolarHBondContact OE2-CG 3.5Å; E364-Q395 PolarHBondContact OE2-NE2 2.73Å
365E95.4Very high92.7Very high158 Ų15884.6 Ų84.674%0.73840%0.403SS*.PPolyproline II helixtrans-81.3146.5171.7-67.4-171.7167.400111.5Y367 Q395E365-Y367 PolarHBondContact O-N 2.95Å; E365-Q395 PolarHBondContact O-NE2 2.87Å
366P96.4Very high91.9Very high38 Ų3885.8 Ų85.825%0.24742%0.415CS..PPolyproline II helixtrans-61.9129.1177.627.4-35.8000111.7K368 I369 L389 L390 Y391P366-K368 VanDerWaalsContact C-N 3.29Å; P366-K368 PolarHBondContact O-N 2.88Å; P366-I369 HydrophobicContact CB-CG1 4.16Å; P366-I369 HydrophobicContact CG-CD1 3.97Å; P366-I369 HydrophobicContact CG-CG1 3.94Å; P366-L389 HydrophobicContact CB-CB 3.97Å; P366-L389 HydrophobicContact CB-CD2 4.25Å; P366-L389 HydrophobicContact CG-CD2 4.1Å; P366-L390 CarbonylContact C-O 3.57Å; P366-Y391 HydrophobicContact CB-CE1 4.23Å; P366-Y391 HydrophobicContact CB-CE2 4.43Å
367Y96.6Very high91.1Very high30 Ų3088.8 Ų88.812%0.11843%0.434CS..SBendtrans-64.1-36.3177.8-156.9-101.5000112.9A321 L322 Y323 K325 L347 E365 L390 W394A321-Y367 HydrophobicContact CB-CD1 3.8Å; A321-Y367 HydrophobicContact CB-CE1 3.62Å; L322-Y367 WeakPolarHBondContact O-CE1 3.5Å; L322-Y367 PolarHBondContact O-OH 3.49Å; Y323-Y367 HydrophobicContact CD2-CE2 4.13Å; K325-Y367 HydrophobicContact CD-CE2 4.1Å; K325-Y367 VanDerWaalsContact CE-CE2 3.41Å; K325-Y367 HydrophobicContact CG-CE1 4.02Å; K325-Y367 HydrophobicContact CG-CE2 3.64Å; K325-Y367 WeakPolarHBondContact CG-OH 3.48Å; K325-Y367 PolarHBondContact N-OH 3.28Å; L347-Y367 HydrophobicContact CD1-CD1 4.05Å; L347-Y367 HydrophobicContact CD2-CD1 4.2Å; E365-Y367 PolarHBondContact O-N 2.95Å; Y367-L390 PolarHBondContact N-O 3.08Å; Y367-W394 HydrophobicContact CD1-CZ2 4.08Å; Y367-W394 AromaticContact CD2-CZ2 3.62Å; Y367-W394 HydrophobicContact CD2-CZ2 3.62Å; Y367-W394 AromaticContact CD2-NE1 3.83Å; Y367-W394 HydrophobicContact CE1-CZ2 4.02Å; Y367-W394 AromaticContact CE2-CE2 3.98Å; Y367-W394 AromaticContact CE2-CZ2 3.54Å; Y367-W394 HydrophobicContact CE2-CZ2 3.54Å; Y367-W394 AromaticContact CE2-NE1 3.86Å; Y367-W394 AromaticContact CG-CZ2 3.85Å; Y367-W394 HydrophobicContact CG-CZ2 3.85Å; Y367-W394 AromaticContact CZ-CZ2 3.72Å
368K95.8Very high90.4Very high66 Ų6690.9 Ų90.929%0.28745%0.445SS..EExtended strand (participates in β ladder)trans-147.1139.2-179.3-173.7173179.3169.40109.8L317 K318 Q320 L347 P366 V370 L390L317-K368 PolarHBondContact O-NZ 3.19Å; K318-K368 VanDerWaalsContact O-CE 3.24Å; K318-K368 WeakPolarHBondContact O-CE 3.42Å; K318-K368 PolarHBondContact O-NZ 3.38Å; Q320-K368 PolarHBondContact O-NZ 3.28Å; L347-K368 HydrophobicContact CD1-CB 3.56Å; L347-K368 HydrophobicContact CD1-CD 4.02Å; L347-K368 HydrophobicContact CD1-CG 4.43Å; P366-K368 VanDerWaalsContact C-N 3.29Å; P366-K368 PolarHBondContact O-N 2.88Å; K368-V370 HydrophobicContact CD-CG1 4.33Å; K368-V370 HydrophobicContact CG-CG1 4.06Å; K368-L390 HydrophobicContact CB-CB 4.4Å; K368-L390 HydrophobicContact CB-CD1 4.47Å; K368-L390 HydrophobicContact CG-CD1 4.5Å; K368-L390 PolarHBondContact N-O 2.99Å; K368-L390 WeakPolarHBondContact O-CA 3.4Å; K368-L390 VanDerWaalsContact O-CB 3.28Å; K368-L390 WeakPolarHBondContact O-CB 3.43Å; K368-L390 PolarHBondContact O-N 2.91Å
369I96.1Very high89.6Confident103 Ų10391.2 Ų91.253%0.52845%0.454SS..EExtended strand (participates in β ladder)trans-113.5127.9176.1-56.1177.4000108.3P366 P387 L389P366-I369 HydrophobicContact CB-CG1 4.16Å; P366-I369 HydrophobicContact CG-CD1 3.97Å; P366-I369 HydrophobicContact CG-CG1 3.94Å; I369-P387 HydrophobicContact CG2-CB 3.68Å; I369-L389 HydrophobicContact CD1-CD2 4.04Å; I369-L389 HydrophobicContact CG1-CD2 3.88Å; I369-L389 HydrophobicContact CG2-CD2 4.13Å
370V93.9Very high88.8Confident18 Ų1893.8 Ų93.811%0.10947%0.472CS..EExtended strand (participates in β ladder)trans-130.8157.4180-57.90000111K318 F319 K368 A372 L388 L390K318-V370 HydrophobicContact CG-CB 4.25Å; K318-V370 HydrophobicContact CG-CG1 4.06Å; K318-V370 HydrophobicContact CG-CG2 4.37Å; F319-V370 HydrophobicContact CE1-CG2 4.17Å; K368-V370 HydrophobicContact CD-CG1 4.33Å; K368-V370 HydrophobicContact CG-CG1 4.06Å; V370-A372 PolarHBondContact O-N 3.29Å; V370-L388 HydrophobicContact CG2-CB 3.98Å; V370-L388 HydrophobicContact CG2-CD2 4.19Å; V370-L388 HydrophobicContact CG2-CG 4.32Å; V370-L388 PolarHBondContact N-O 2.96Å; V370-L388 WeakPolarHBondContact O-CB 3.34Å; V370-L388 PolarHBondContact O-N 3.21Å; V370-L390 HydrophobicContact CB-CD1 4.45Å; V370-L390 HydrophobicContact CG1-CD1 3.81Å; V370-L390 HydrophobicContact CG2-CD1 3.76Å; V370-L390 HydrophobicContact CG2-CG 4.12Å
371K91.6Very high88.2Confident135 Ų135101.5 Ų101.559%0.58751%0.507SS*.EExtended strand (participates in β ladder)trans-63.7128.2173.2-62.9-167175.7-154.50111K318 D385K318-K371 WeakPolarHBondContact CE-O 3.19Å; K318-K371 PolarHBondContact NZ-O 3.49Å; K371-D385 IonicContact NZ-OD2 3.23Å; K371-D385 PolarHBondContact NZ-OD2 3.4Å
372A89.2Confident87.5Confident31 Ų31104.3 Ų104.326%0.25652%0.521SS..PPolyproline II helixtrans-67.3165.4173.600000111.3V370 R386 L388V370-A372 PolarHBondContact O-N 3.29Å; A372-R386 HydrophobicContact CB-CB 4.2Å; A372-R386 WeakPolarHBondContact CB-O 3.3Å; A372-R386 PolarHBondContact N-O 3.39Å; A372-L388 HydrophobicContact CB-CB 4.04Å
373R83.4Confident86.8Confident226 Ų226101.3 Ų101.385%0.85350%0.499SS*.PPolyproline II helixtrans-72.1136.7169.8-72.3-173177.3-179.30.4109.3
374P80.2Confident86.2Confident78 Ų7898.4 Ų98.451%0.50649%0.487SS..PPolyproline II helixtrans-63.3142.1176.225.3-32.2000110.4M376P374-M376 PolarHBondContact O-N 3.35Å
375K76.6Confident85.5Confident122 Ų122100.3 Ų100.353%0.5350%0.499SS..  trans-76.2108.8172.5-68.8-172.7176.5-171.10108.5N377 I378K375-N377 PolarHBondContact O-N 2.9Å; K375-N377 VanDerWaalsContact O-N 3.15Å; K375-I378 HydrophobicContact CB-CD1 3.92Å; K375-I378 HydrophobicContact CB-CG1 4.09Å; K375-I378 HydrophobicContact CD-CD1 4.15Å; K375-I378 PolarHBondContact O-N 2.84Å; K375-I378 VanDerWaalsContact O-N 3.08Å
376M76Confident85Confident134 Ų13498.9 Ų98.966%0.6649%0.487SS*.THydrogen-bonded Turntrans-64.9-17.8-176.7-64.2-58.7-69.100113.8P374 I378P374-M376 PolarHBondContact O-N 3.35Å; M376-I378 PolarHBondContact O-N 3.48Å
377N77.8Confident84.8Confident139 Ų139101.4 Ų101.474%0.74350%0.503SS*.THydrogen-bonded Turntrans-76.4-9.8176.3-60.8-4.1000113.2K375K375-N377 PolarHBondContact O-N 2.9Å; K375-N377 VanDerWaalsContact O-N 3.15Å
378I79.9Confident84.6Confident45 Ų45102.7 Ų102.723%0.23151%0.512CS..SBendtrans-98.6132.6176.6-56.8177.7000108K375 M376 E382 R383K375-I378 HydrophobicContact CB-CD1 3.92Å; K375-I378 HydrophobicContact CB-CG1 4.09Å; K375-I378 HydrophobicContact CD-CD1 4.15Å; K375-I378 PolarHBondContact O-N 2.84Å; K375-I378 VanDerWaalsContact O-N 3.08Å; M376-I378 PolarHBondContact O-N 3.48Å; I378-E382 HydrophobicContact CG2-CB 3.59Å; I378-R383 HydrophobicContact CB-CG 4.32Å; I378-R383 HydrophobicContact CG2-CG 4.29Å; I378-R383 PolarHBondContact O-NE 3.04Å; I378-R383 PolarHBondContact O-NH2 3.25Å
379P81Confident84.6Confident66 Ų66102.8 Ų102.843%0.42952%0.515SS..  trans-51.2143.1174.3-2634.5000111.4E381 E382 R383P379-E381 PolarHBondContact O-N 2.9Å; P379-E382 PolarHBondContact O-N 3.19Å; P379-R383 WeakPolarHBondContact O-CG 3.35Å; P379-R383 PolarHBondContact O-N 3.45Å
380P80.8Confident84.7Confident92 Ų9297.9 Ų97.960%0.59749%0.49SS*.G310 helixtrans-50.2-36-176.6-27.234.1000114.7E382 R383P380-E382 VanDerWaalsContact C-N 3.34Å; P380-E382 PolarHBondContact O-N 3.22Å; P380-R383 PolarHBondContact O-N 3.33Å
381E83.1Confident84.9Confident193 Ų19398.2 Ų98.290%0.90249%0.49SS*.G310 helixtrans-67.1-29.9-178.2-64.5170-167.700113.3P379P379-E381 PolarHBondContact O-N 2.9Å
382E82.3Confident85.1Confident135 Ų13591.8 Ų91.863%0.63146%0.462SS*.G310 helixtrans-97.53-179.3-67.3176.7-160.900113I378 P379 P380 V384I378-E382 HydrophobicContact CG2-CB 3.59Å; P379-E382 PolarHBondContact O-N 3.19Å; P380-E382 VanDerWaalsContact C-N 3.34Å; P380-E382 PolarHBondContact O-N 3.22Å; E382-V384 PolarHBondContact O-N 3.44Å
383R80.3Confident85.5Confident83 Ų8394.2 Ų94.231%0.31347%0.47SS..  trans-74.1100.6-177.5-71.9177.9-169.6157.95.1110.9I378 P379 P380I378-R383 HydrophobicContact CB-CG 4.32Å; I378-R383 HydrophobicContact CG2-CG 4.29Å; I378-R383 PolarHBondContact O-NE 3.04Å; I378-R383 PolarHBondContact O-NH2 3.25Å; P379-R383 WeakPolarHBondContact O-CG 3.35Å; P379-R383 PolarHBondContact O-N 3.45Å; P380-R383 PolarHBondContact O-N 3.33Å
384V79.4Confident86Confident108 Ų10886 Ų8666%0.65544%0.439SS*.  trans-77127.9170-174.30000110.3E382 R386E382-V384 PolarHBondContact O-N 3.44Å; V384-R386 PolarHBondContact O-N 2.99Å; V384-R386 VanDerWaalsContact O-N 3.12Å
385D79.7Confident86.8Confident106 Ų10682.7 Ų82.757%0.56742%0.417SS*.  trans-62.7108.5169.8-95.10.4000109.3K371K371-D385 IonicContact NZ-OD2 3.23Å; K371-D385 PolarHBondContact NZ-OD2 3.4Å
386R84.6Confident87.8Confident129 Ų12977.1 Ų77.149%0.48739%0.393SS..  trans-96.2131178.2-62.8-180-169.1-157.9-2.2110A372 V384A372-R386 HydrophobicContact CB-CB 4.2Å; A372-R386 WeakPolarHBondContact CB-O 3.3Å; A372-R386 PolarHBondContact N-O 3.39Å; V384-R386 PolarHBondContact O-N 2.99Å; V384-R386 VanDerWaalsContact O-N 3.12Å
387P92Very high88.8Confident90 Ų9074.7 Ų74.758%0.58438%0.38SS*.EExtended strand (participates in β ladder)trans-69.4136.7170.328.7-32.4000109.8I369I369-P387 HydrophobicContact CG2-CB 3.68Å
388L93.5Very high89.7Confident57 Ų5771.9 Ų71.930%0.29837%0.369SS..EExtended strand (participates in β ladder)trans-102.9111.5167.6177.662.1000107.7F319 V370 A372 L390F319-L388 HydrophobicContact CE1-CD2 3.8Å; F319-L388 HydrophobicContact CZ-CD2 4.43Å; V370-L388 HydrophobicContact CG2-CB 3.98Å; V370-L388 HydrophobicContact CG2-CD2 4.19Å; V370-L388 HydrophobicContact CG2-CG 4.32Å; V370-L388 PolarHBondContact N-O 2.96Å; V370-L388 WeakPolarHBondContact O-CB 3.34Å; V370-L388 PolarHBondContact O-N 3.21Å; A372-L388 HydrophobicContact CB-CB 4.04Å; L388-L390 HydrophobicContact CD2-CD2 4.05Å; L388-L390 HydrophobicContact CG-CD2 3.92Å
389L96.4Very high90.5Very high68 Ų6873 Ų7336%0.35637%0.371SS..EExtended strand (participates in β ladder)trans-77.2125.2177.1-55-170.7000109.2G349 P366 I369 Y391G349-L389 WeakPolarHBondContact CA-O 3.35Å; P366-L389 HydrophobicContact CB-CB 3.97Å; P366-L389 HydrophobicContact CB-CD2 4.25Å; P366-L389 HydrophobicContact CG-CD2 4.1Å; I369-L389 HydrophobicContact CD1-CD2 4.04Å; I369-L389 HydrophobicContact CG1-CD2 3.88Å; I369-L389 HydrophobicContact CG2-CD2 4.13Å; L389-Y391 HydrophobicContact CB-CE2 3.72Å
390L97.3Very high91.2Very high1 Ų174.9 Ų74.91%0.00538%0.381CS..EExtended strand (participates in β ladder)trans-115.1137.8-179.3-56.5176.5000110.7F319 L347 P366 Y367 K368 V370 L388F319-L390 HydrophobicContact CD1-CD1 3.63Å; F319-L390 HydrophobicContact CD1-CD2 3.73Å; F319-L390 HydrophobicContact CD1-CG 4.35Å; F319-L390 HydrophobicContact CE1-CD1 4.26Å; F319-L390 HydrophobicContact CE1-CD2 4Å; L347-L390 HydrophobicContact CB-CB 3.8Å; L347-L390 HydrophobicContact CB-CD1 4.35Å; L347-L390 HydrophobicContact CD1-CB 4.2Å; P366-L390 CarbonylContact C-O 3.57Å; Y367-L390 PolarHBondContact N-O 3.08Å; K368-L390 HydrophobicContact CB-CB 4.4Å; K368-L390 HydrophobicContact CB-CD1 4.47Å; K368-L390 HydrophobicContact CG-CD1 4.5Å; K368-L390 PolarHBondContact N-O 2.99Å; K368-L390 WeakPolarHBondContact O-CA 3.4Å; K368-L390 VanDerWaalsContact O-CB 3.28Å; K368-L390 WeakPolarHBondContact O-CB 3.43Å; K368-L390 PolarHBondContact O-N 2.91Å; V370-L390 HydrophobicContact CB-CD1 4.45Å; V370-L390 HydrophobicContact CG1-CD1 3.81Å; V370-L390 HydrophobicContact CG2-CD1 3.76Å; V370-L390 HydrophobicContact CG2-CG 4.12Å; L388-L390 HydrophobicContact CD2-CD2 4.05Å; L388-L390 HydrophobicContact CG-CD2 3.92Å
391Y98Very high91.8Very high24 Ų2471.4 Ų71.49%0.09436%0.359CS..BIsolated β-bridgetrans-125.6147.6-177.2-59.6-96.5000109.6L347 N348 W353 I360 E364 P366 L389 Q395L347-Y391 WeakPolarHBondContact CA-O 3.43Å; N348-Y391 PolarHBondContact N-O 3.47Å; N348-Y391 PolarHBondContact O-N 2.88Å; W353-Y391 VanDerWaalsContact CZ2-O 3.31Å; W353-Y391 WeakPolarHBondContact CZ2-O 3.48Å; W353-Y391 PolarHBondContact NE1-O 2.83Å; I360-Y391 HydrophobicContact CD1-CD1 4.2Å; I360-Y391 HydrophobicContact CD1-CD2 3.36Å; I360-Y391 HydrophobicContact CD1-CE1 4.24Å; I360-Y391 HydrophobicContact CD1-CE2 3.44Å; I360-Y391 VanDerWaalsContact CD1-CE2 3.44Å; I360-Y391 HydrophobicContact CD1-CG 3.77Å; I360-Y391 HydrophobicContact CG1-CD1 4.26Å; I360-Y391 HydrophobicContact CG1-CD2 4.05Å; I360-Y391 HydrophobicContact CG1-CE2 4.46Å; I360-Y391 HydrophobicContact CG1-CG 3.94Å; I360-Y391 HydrophobicContact CG2-CD1 3.68Å; I360-Y391 HydrophobicContact CG2-CE1 3.72Å; I360-Y391 HydrophobicContact CG2-CG 4.23Å; E364-Y391 HydrophobicContact CB-CE1 4.46Å; P366-Y391 HydrophobicContact CB-CE1 4.23Å; P366-Y391 HydrophobicContact CB-CE2 4.43Å; L389-Y391 HydrophobicContact CB-CE2 3.72Å; Y391-Q395 VanDerWaalsContact CA-OE1 3.3Å; Y391-Q395 HydrophobicContact CD1-CB 4.42Å
392G96.7Very high92.4Very high0 Ų064.8 Ų64.80%033%0.332CS..  trans-89.9166.5173.500000112.6W394 Q395G392-W394 PolarHBondContact O-N 3.44Å; G392-Q395 VanDerWaalsContact N-OE1 3.1Å; G392-Q395 PolarHBondContact O-N 2.91Å
393L96Very high93Very high82 Ų8262.1 Ų62.143%0.42933%0.328SS..G310 helixtrans-56-37.9179.8-176.567.3000112.5W353 Q395 T396W353-L393 HydrophobicContact CH2-CB 3.87Å; W353-L393 HydrophobicContact CH2-CD1 3.92Å; W353-L393 HydrophobicContact CZ3-CD1 3.72Å; L393-Q395 PolarHBondContact O-N 2.9Å; L393-T396 PolarHBondContact O-N 3.2Å; L393-T396 VanDerWaalsContact O-N 3.1Å; L393-T396 PolarHBondContact O-OG1 3.45Å
394W95.7Very high93.6Very high54 Ų5459.3 Ų59.321%0.20532%0.323CS..G310 helixtrans-63.9-22.7179.55692.5000114Y323 H345 L347 K361 Y367 G392 T396Y323-W394 HydrophobicContact CD1-CD2 4.3Å; Y323-W394 AromaticContact CD1-CE3 3.98Å; Y323-W394 HydrophobicContact CD1-CE3 3.98Å; Y323-W394 HydrophobicContact CD1-CZ3 4.17Å; Y323-W394 AromaticContact CD2-CD2 3.48Å; Y323-W394 HydrophobicContact CD2-CD2 3.48Å; Y323-W394 VanDerWaalsContact CD2-CD2 3.48Å; Y323-W394 AromaticContact CD2-CE2 3.21Å; Y323-W394 AromaticContact CD2-CE3 3.83Å; Y323-W394 HydrophobicContact CD2-CE3 3.83Å; Y323-W394 HydrophobicContact CD2-CG 4.09Å; Y323-W394 AromaticContact CD2-CH2 3.77Å; Y323-W394 HydrophobicContact CD2-CH2 3.77Å; Y323-W394 AromaticContact CD2-CZ2 3.4Å; Y323-W394 HydrophobicContact CD2-CZ2 3.4Å; Y323-W394 VanDerWaalsContact CD2-CZ2 3.4Å; Y323-W394 AromaticContact CD2-CZ3 3.96Å; Y323-W394 HydrophobicContact CD2-CZ3 3.96Å; Y323-W394 AromaticContact CD2-NE1 3.62Å; Y323-W394 HydrophobicContact CE1-CD2 4.28Å; Y323-W394 HydrophobicContact CE1-CE3 4.25Å; Y323-W394 HydrophobicContact CE1-CG 4.47Å; Y323-W394 HydrophobicContact CE2-CB 4.37Å; Y323-W394 AromaticContact CE2-CD1 3.48Å; Y323-W394 VanDerWaalsContact CE2-CD1 3.48Å; Y323-W394 AromaticContact CE2-CD2 3.45Å; Y323-W394 HydrophobicContact CE2-CD2 3.45Å; Y323-W394 VanDerWaalsContact CE2-CD2 3.45Å; Y323-W394 AromaticContact CE2-CE2 3.45Å; Y323-W394 VanDerWaalsContact CE2-CE2 3.45Å; Y323-W394 HydrophobicContact CE2-CE3 4.11Å; Y323-W394 AromaticContact CE2-CG 3.53Å; Y323-W394 HydrophobicContact CE2-CG 3.53Å; Y323-W394 HydrophobicContact CE2-CZ2 4.13Å; Y323-W394 AromaticContact CE2-NE1 3.42Å; Y323-W394 AromaticContact CG-CD2 3.92Å; Y323-W394 HydrophobicContact CG-CD2 3.92Å; Y323-W394 AromaticContact CG-CE2 3.96Å; Y323-W394 AromaticContact CG-CE3 3.76Å; Y323-W394 HydrophobicContact CG-CE3 3.76Å; Y323-W394 AromaticContact CG-CH2 3.75Å; Y323-W394 HydrophobicContact CG-CH2 3.75Å; Y323-W394 AromaticContact CG-CZ2 3.9Å; Y323-W394 HydrophobicContact CG-CZ2 3.9Å; Y323-W394 AromaticContact CG-CZ3 3.67Å; Y323-W394 HydrophobicContact CG-CZ3 3.67Å; Y323-W394 AromaticContact CZ-CD2 3.87Å; Y323-W394 AromaticContact CZ-CG 3.75Å; H345-W394 HydrophobicContact CB-CH2 3.84Å; H345-W394 HydrophobicContact CB-CZ3 3.49Å; H345-W394 VanDerWaalsContact CB-CZ3 3.49Å; H345-W394 AromaticContact CG-CZ3 3.61Å; H345-W394 AromaticContact ND1-CZ3 3.96Å; L347-W394 HydrophobicContact CD2-CH2 3.79Å; L347-W394 HydrophobicContact CD2-CZ2 4.15Å; K361-W394 PolarHBondContact NZ-O 3.26Å; Y367-W394 HydrophobicContact CD1-CZ2 4.08Å; Y367-W394 AromaticContact CD2-CZ2 3.62Å; Y367-W394 HydrophobicContact CD2-CZ2 3.62Å; Y367-W394 AromaticContact CD2-NE1 3.83Å; Y367-W394 HydrophobicContact CE1-CZ2 4.02Å; Y367-W394 AromaticContact CE2-CE2 3.98Å; Y367-W394 AromaticContact CE2-CZ2 3.54Å; Y367-W394 HydrophobicContact CE2-CZ2 3.54Å; Y367-W394 AromaticContact CE2-NE1 3.86Å; Y367-W394 AromaticContact CG-CZ2 3.85Å; Y367-W394 HydrophobicContact CG-CZ2 3.85Å; Y367-W394 AromaticContact CZ-CZ2 3.72Å; G392-W394 PolarHBondContact O-N 3.44Å; W394-T396 VanDerWaalsContact C-N 3.27Å
395Q97.2Very high94.2Very high9 Ų957.1 Ų57.14%0.04232%0.317CS..G310 helixtrans-897.2177.6-50.4-170.6-8400112.7K361 E364 E365 Y391 G392 L393K361-Q395 PolarHBondContact N-O 3.35Å; E364-Q395 HydrophobicContact CB-CB 4.4Å; E364-Q395 HydrophobicContact CG-CB 4.11Å; E364-Q395 WeakPolarHBondContact OE2-CG 3.5Å; E364-Q395 PolarHBondContact OE2-NE2 2.73Å; E365-Q395 PolarHBondContact O-NE2 2.87Å; Y391-Q395 VanDerWaalsContact CA-OE1 3.3Å; Y391-Q395 HydrophobicContact CD1-CB 4.42Å; G392-Q395 VanDerWaalsContact N-OE1 3.1Å; G392-Q395 PolarHBondContact O-N 2.91Å; L393-Q395 PolarHBondContact O-N 2.9Å
396T97.2Very high94.6Very high4 Ų460.1 Ų60.13%0.02533%0.332CS..EExtended strand (participates in β ladder)trans-125.1152.3-175.368.60000111.8W353 R358 V359 I360 L393 W394W353-T396 HydrophobicContact CD2-CG2 3.72Å; W353-T396 HydrophobicContact CE3-CG2 4.22Å; W353-T396 HydrophobicContact CG-CG2 3.88Å; W353-T396 HydrophobicContact CZ2-CG2 4.39Å; R358-T396 PolarHBondContact NE-OG1 3.46Å; R358-T396 PolarHBondContact NH2-O 2.75Å; V359-T396 CarbonylContact O-C 3.53Å; V359-T396 WeakPolarHBondContact O-CA 3.44Å; V359-T396 VanDerWaalsContact O-CB 3.26Å; V359-T396 WeakPolarHBondContact O-CB 3.24Å; I360-T396 HydrophobicContact CG1-CG2 4.39Å; L393-T396 PolarHBondContact O-N 3.2Å; L393-T396 VanDerWaalsContact O-N 3.1Å; L393-T396 PolarHBondContact O-OG1 3.45Å; W394-T396 VanDerWaalsContact C-N 3.27Å
397E96.9Very high94.8Very high84 Ų8454.4 Ų54.439%0.39331%0.314SS..EExtended strand (participates in β ladder)trans-122157.517461.3-176.2-167.700110.7R358 V359 K361 Y399R358-E397 CarbonylContact C-O 3.55Å; R358-E397 WeakPolarHBondContact CA-O 3.45Å; R358-E397 WeakPolarHBondContact CB-O 3.36Å; V359-E397 HydrophobicContact CG2-CG 3.56Å; V359-E397 PolarHBondContact N-O 2.87Å; V359-E397 PolarHBondContact O-N 3.23Å; K361-E397 HydrophobicContact CG-CB 4.17Å; K361-E397 HydrophobicContact CG-CG 4.16Å; E397-Y399 PolarHBondContact O-N 3.26Å
398P96.5Very high94.9Very high79 Ų7953.9 Ų53.951%0.51331%0.309SS..EExtended strand (participates in β ladder)trans-57.4135.4176.1-23.334.7000111.9V400P398-V400 PolarHBondContact O-N 3.37Å
399Y96Very high95Very high70 Ų7051.2 Ų51.228%0.27530%0.295SS..  trans-63.4129.2175.5174-97.6000110.6A357 V359 E397 P401 M424A357-Y399 WeakPolarHBondContact O-CB 3.35Å; A357-Y399 PolarHBondContact O-N 2.77Å; V359-Y399 HydrophobicContact CG1-CD2 3.71Å; E397-Y399 PolarHBondContact O-N 3.26Å; Y399-P401 HydrophobicContact CD1-CB 4.44Å; Y399-P401 HydrophobicContact CE1-CB 3.96Å; Y399-P401 WeakPolarHBondContact O-CD 3.45Å; Y399-M424 HydrophobicContact CD1-CB 4.17Å; Y399-M424 HydrophobicContact CD1-CE 4.13Å; Y399-M424 HydrophobicContact CD1-CG 3.9Å; Y399-M424 HydrophobicContact CE1-CB 4.14Å; Y399-M424 HydrophobicContact CE1-CE 4.03Å; Y399-M424 HydrophobicContact CE1-CG 4.29Å; Y399-M424 HydrophobicContact CG-CE 4.45Å
400V95.5Very high94.9Very high105 Ų10549.7 Ų49.764%0.63629%0.289SS*.  trans-95112.8174.3-176.10000108.9P398P398-V400 PolarHBondContact O-N 3.37Å
401P94.8Very high94.8Very high19 Ų1955.7 Ų55.712%0.12331%0.311CS..PPolyproline II helixtrans-71.2147.5-179.629.3-34.7000111.6Y399 L425 K427Y399-P401 HydrophobicContact CD1-CB 4.44Å; Y399-P401 HydrophobicContact CE1-CB 3.96Å; Y399-P401 WeakPolarHBondContact O-CD 3.45Å; P401-L425 VanDerWaalsContact CB-O 3.3Å; P401-L425 WeakPolarHBondContact CB-O 3.27Å; P401-L425 WeakPolarHBondContact CG-O 3.46Å; P401-K427 HydrophobicContact CG-CG 4.29Å
402P94.7Very high94.5Very high54 Ų5456.4 Ų56.435%0.35132%0.317SS..PPolyproline II helixtrans-65.5158.2175.729.6-35.6000111P410 P426 K427P402-P410 HydrophobicContact CB-CB 3.97Å; P402-P410 HydrophobicContact CB-CG 4.04Å; P402-P410 HydrophobicContact CG-CB 3.67Å; P402-P410 HydrophobicContact CG-CG 4.01Å; P402-P426 HydrophobicContact CG-CB 4.43Å; P402-P426 HydrophobicContact CG-CG 4.42Å; P402-P426 CarbonylContact O-C 3.49Å; P402-P426 WeakPolarHBondContact O-CA 3.28Å; P402-P426 WeakPolarHBondContact O-CB 3.5Å; P402-K427 PolarHBondContact O-N 2.86Å
403S94.4Very high94.4Very high78 Ų7865.3 Ų65.355%0.54536%0.356SS..BIsolated β-bridgetrans-92.4138.6172.5-58.10000110.5P410S403-P410 WeakPolarHBondContact O-CG 3.15Å
404A93.5Very high94.2Very high25 Ų2568 Ų6821%0.20736%0.364CS..PPolyproline II helixtrans-71.4145.7167.300000110.5K427 T429A404-K427 PolarHBondContact N-O 3.35Å; A404-T429 HydrophobicContact CB-CG2 3.56Å
405A91.2Very high94.1Very high62 Ų6266.7 Ų66.751%0.51237%0.368SS..BIsolated β-bridgetrans-140.1141.1178.600000109.8G407 V408A405-G407 VanDerWaalsContact C-N 3.3Å; A405-G407 PolarHBondContact O-N 3.14Å; A405-V408 PolarHBondContact O-N 3.16Å; A405-V408 VanDerWaalsContact O-N 3.1Å
406N88.9Confident94Very high168 Ų16867.8 Ų67.890%0.89837%0.373SS*.THydrogen-bonded Turntrans55.638.1175.9-52-33.2000114.1V408N406-V408 PolarHBondContact O-N 3.48Å
407G89.5Confident93.9Very high9 Ų968 Ų689%0.09338%0.375CS..THydrogen-bonded Turntrans71.37.7-179.200000115.5A405 D447 C472 E474A405-G407 VanDerWaalsContact C-N 3.3Å; A405-G407 PolarHBondContact O-N 3.14Å; G407-D447 WeakPolarHBondContact O-CB 3.12Å; G407-C472 PolarHBondContact O-SG 3.43Å; G407-E474 WeakPolarHBondContact CA-OE1 3.38Å; G407-E474 PolarHBondContact N-OE1 2.98Å
408V94Very high93.8Very high79 Ų7967.2 Ų67.248%0.47937%0.371SS..BIsolated β-bridgetrans-106.1130.9-179-177.50000111.3A405 N406A405-V408 PolarHBondContact O-N 3.16Å; A405-V408 VanDerWaalsContact O-N 3.1Å; N406-V408 PolarHBondContact O-N 3.48Å
409V95.2Very high93.7Very high2 Ų263.5 Ų63.51%0.01235%0.347CS..  trans-81.5129.2178.9179.80000110.1R411 V417 T429 D447 V449 V470V409-R411 WeakPolarHBondContact O-CG 3.46Å; V409-R411 PolarHBondContact O-N 3.3Å; V409-V417 HydrophobicContact CG1-CG2 3.6Å; V409-T429 HydrophobicContact CG2-CG2 4.35Å; V409-D447 PolarHBondContact N-OD2 3.18Å; V409-V449 HydrophobicContact CB-CG2 3.93Å; V409-V449 HydrophobicContact CG1-CB 4.39Å; V409-V449 HydrophobicContact CG1-CG2 4.27Å; V409-V449 HydrophobicContact CG2-CG2 4.49Å; V409-V470 HydrophobicContact CG1-CB 4.18Å; V409-V470 HydrophobicContact CG1-CG1 3.69Å; V409-V470 HydrophobicContact CG2-CG1 4.44Å
410P94.5Very high93.6Very high35 Ų3562.1 Ų62.123%0.22734%0.341CS..  trans-62.8128.9175.9-22.333.4000112P402 S403 V417 P426P402-P410 HydrophobicContact CB-CB 3.97Å; P402-P410 HydrophobicContact CB-CG 4.04Å; P402-P410 HydrophobicContact CG-CB 3.67Å; P402-P410 HydrophobicContact CG-CG 4.01Å; S403-P410 WeakPolarHBondContact O-CG 3.15Å; P410-V417 WeakPolarHBondContact O-CG2 3.31Å; P410-P426 HydrophobicContact CG-CB 4.2Å
411R93.6Very high93.5Very high127 Ų12760.4 Ų60.448%0.47933%0.327SS..  trans-121.4156.6-173.7-44.4-175.1-166.1174.36.8112.6V409 G415 D447 V449V409-R411 WeakPolarHBondContact O-CG 3.46Å; V409-R411 PolarHBondContact O-N 3.3Å; R411-G415 WeakPolarHBondContact CD-O 3.42Å; R411-D447 IonicContact CZ-OD1 3.57Å; R411-D447 IonicContact CZ-OD2 3.82Å; R411-D447 IonicContact NE-OD2 3.89Å; R411-D447 IonicContact NH2-OD1 2.56Å; R411-D447 PolarHBondContact NH2-OD1 2.81Å; R411-D447 IonicContact NH2-OD2 2.93Å; R411-D447 PolarHBondContact NH2-OD2 3.35Å; R411-V449 HydrophobicContact CG-CG1 4.39Å; R411-V449 HydrophobicContact CG-CG2 4.28Å
412N92.8Very high93.5Very high39 Ų3964.9 Ų64.921%0.20935%0.347CS..  trans-77.2177.7166.674.55.6000111.4F414 G415 N416 E418N412-F414 PolarHBondContact O-N 2.84Å; N412-F414 WeakPolarHBondContact OD1-CA 3.28Å; N412-F414 WeakPolarHBondContact OD1-CB 3.44Å; N412-F414 PolarHBondContact OD1-N 3.48Å; N412-G415 PolarHBondContact O-N 3.4Å; N412-G415 PolarHBondContact OD1-N 3.35Å; N412-N416 PolarHBondContact N-O 2.87Å; N412-N416 PolarHBondContact OD1-N 2.95Å; N412-N416 PolarHBondContact OD1-O 3.49Å; N412-N416 VanDerWaalsContact OD1-O 3.08Å; N412-E418 PolarHBondContact ND2-OE1 3.21Å
413K93.7Very high93.4Very high187 Ų18766.9 Ų66.981%0.81335%0.351SS*.THydrogen-bonded Turntrans-59.1-14.3178.667.2-178.5-178.5179.70115.5
414F92.3Very high93.5Very high139 Ų13963.4 Ų63.461%0.6133%0.326SS*.THydrogen-bonded Turntrans-99.51177.6-60.4-72.5000112.6N412N412-F414 PolarHBondContact O-N 2.84Å; N412-F414 WeakPolarHBondContact OD1-CA 3.28Å; N412-F414 WeakPolarHBondContact OD1-CB 3.44Å; N412-F414 PolarHBondContact OD1-N 3.48Å
415G92.9Very high93.6Very high27 Ų2764.2 Ų64.228%0.27833%0.326SS..SBendtrans8016.1-17900000114.5R411 N412 V449R411-G415 WeakPolarHBondContact CD-O 3.42Å; N412-G415 PolarHBondContact O-N 3.4Å; N412-G415 PolarHBondContact OD1-N 3.35Å; G415-V449 VanDerWaalsContact O-CG1 3.27Å; G415-V449 WeakPolarHBondContact O-CG1 3.28Å
416N94.8Very high93.8Very high31 Ų3161.4 Ų61.417%0.16630%0.303CS..  trans-116166.9178.4-56.1-37.5000111.3N412 P450 V452N412-N416 PolarHBondContact N-O 2.87Å; N412-N416 PolarHBondContact OD1-N 2.95Å; N412-N416 PolarHBondContact OD1-O 3.49Å; N412-N416 VanDerWaalsContact OD1-O 3.08Å; N416-P450 WeakPolarHBondContact OD1-CG 3.48Å; N416-V452 HydrophobicContact CB-CG2 3.79Å
417V95.1Very high94.1Very high8 Ų858.8 Ų58.85%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-100.2127.6170.6-176.10000109.7V409 P410 L419 P426 V449 P450 A451 V452 V470V409-V417 HydrophobicContact CG1-CG2 3.6Å; P410-V417 WeakPolarHBondContact O-CG2 3.31Å; V417-L419 PolarHBondContact O-N 2.86Å; V417-P426 HydrophobicContact CG1-CG 4.17Å; V417-V449 HydrophobicContact CG2-CB 4.24Å; V417-V449 HydrophobicContact CG2-CG1 3.88Å; V417-P450 PolarHBondContact N-O 3.49Å; V417-A451 CarbonylContact O-C 3.54Å; V417-A451 WeakPolarHBondContact O-CA 3.39Å; V417-V452 PolarHBondContact O-N 2.71Å; V417-V470 HydrophobicContact CB-CG2 4.19Å; V417-V470 HydrophobicContact CG1-CG2 4.29Å; V417-V470 HydrophobicContact CG2-CB 4.2Å; V417-V470 HydrophobicContact CG2-CG2 4.28Å
418E94.9Very high94.4Very high68 Ų6860.4 Ų60.432%0.31830%0.3SS..EExtended strand (participates in β ladder)trans-83.8107172.9-69.2-178.3-152.100110N412 Y420 V452N412-E418 PolarHBondContact ND2-OE1 3.21Å; E418-Y420 HydrophobicContact CB-CE2 3.82Å; E418-Y420 HydrophobicContact CG-CE2 4.37Å; E418-Y420 WeakPolarHBondContact OE2-CE2 3.3Å; E418-Y420 PolarHBondContact OE2-OH 3.14Å; E418-V452 HydrophobicContact CG-CB 4.49Å
419L95.6Very high94.5Very high1 Ų157.1 Ų57.11%0.00528%0.28CS..  trans-125.666.6-173.1-168.268.7000110.2V417 Q421 M422 M424 L425 Y431 A451 V452 V470V417-L419 PolarHBondContact O-N 2.86Å; L419-Q421 VanDerWaalsContact C-N 3.31Å; L419-Q421 WeakPolarHBondContact CD1-O 3.42Å; L419-M422 HydrophobicContact CD2-CE 3.96Å; L419-M422 HydrophobicContact CG-CE 4.16Å; L419-M424 HydrophobicContact CD1-CB 4.08Å; L419-L425 HydrophobicContact CD1-CB 3.95Å; L419-L425 HydrophobicContact CD1-CD1 4.19Å; L419-L425 VanDerWaalsContact CD1-N 3.31Å; L419-L425 HydrophobicContact CD2-CD1 4.18Å; L419-Y431 HydrophobicContact CD2-CD2 3.51Å; L419-Y431 HydrophobicContact CD2-CE2 4.13Å; L419-Y431 HydrophobicContact CD2-CG 4.21Å; L419-A451 HydrophobicContact CB-CB 4.03Å; L419-A451 HydrophobicContact CD2-CB 4.1Å; L419-V452 CarbonylContact C-O 3.58Å; L419-V452 PolarHBondContact N-O 2.8Å; L419-V470 HydrophobicContact CD2-CG2 4.32Å
420Y94Very high94.5Very high41 Ų4158 Ų5816%0.16129%0.286CS..SBendtrans-71.9-27.8178.8-52.3-65000112.6I354 R355 E418 M424 V452 W455I354-Y420 HydrophobicContact CG2-CD2 4.43Å; I354-Y420 HydrophobicContact CG2-CE2 4.17Å; R355-Y420 HydrophobicContact CB-CD2 4.33Å; R355-Y420 HydrophobicContact CB-CG 4.2Å; R355-Y420 HydrophobicContact CG-CD1 4.03Å; R355-Y420 HydrophobicContact CG-CD2 3.96Å; R355-Y420 HydrophobicContact CG-CE1 4.15Å; R355-Y420 HydrophobicContact CG-CE2 4.09Å; R355-Y420 HydrophobicContact CG-CG 3.93Å; R355-Y420 WeakPolarHBondContact O-CB 3.32Å; E418-Y420 HydrophobicContact CB-CE2 3.82Å; E418-Y420 HydrophobicContact CG-CE2 4.37Å; E418-Y420 WeakPolarHBondContact OE2-CE2 3.3Å; E418-Y420 PolarHBondContact OE2-OH 3.14Å; Y420-M424 HydrophobicContact CD2-CE 4.04Å; Y420-M424 HydrophobicContact CD2-SD 3.84Å; Y420-M424 HydrophobicContact CG-SD 4.42Å; Y420-V452 HydrophobicContact CE1-CG1 4.38Å; Y420-W455 AromaticContact CE1-NE1 3.85Å; Y420-W455 PolarHBondContact OH-NE1 3.42Å
421Q93.6Very high94.7Very high69 Ų6959.1 Ų59.132%0.32229%0.286SS..SBendtrans-136.3150.1173-57.7-162.58.700109.6R355 E356 A357 L419 K423 M424R355-Q421 PolarHBondContact O-NE2 2.9Å; E356-Q421 VanDerWaalsContact C-NE2 3.31Å; E356-Q421 VanDerWaalsContact CA-NE2 3.26Å; E356-Q421 PolarHBondContact O-NE2 3.22Å; A357-Q421 HydrophobicContact CB-CB 3.99Å; A357-Q421 HydrophobicContact CB-CG 4.1Å; L419-Q421 VanDerWaalsContact C-N 3.31Å; L419-Q421 WeakPolarHBondContact CD1-O 3.42Å; Q421-K423 HydrophobicContact CB-CG 3.95Å; Q421-K423 PolarHBondContact O-N 2.91Å; Q421-K423 VanDerWaalsContact O-N 3.15Å; Q421-M424 WeakPolarHBondContact O-CB 3.5Å; Q421-M424 PolarHBondContact O-N 3.48Å
422M94.1Very high94.8Very high113 Ų11354 Ų5456%0.55727%0.268SS*.G310 helixtrans-59.2-29.2-179.5-66.7-61.8110.300113.1L419 M424 L425L419-M422 HydrophobicContact CD2-CE 3.96Å; L419-M422 HydrophobicContact CG-CE 4.16Å; M422-M424 PolarHBondContact O-N 2.93Å; M422-M424 VanDerWaalsContact O-N 3.15Å; M422-L425 VanDerWaalsContact O-CB 3.24Å; M422-L425 WeakPolarHBondContact O-CB 3.1Å; M422-L425 PolarHBondContact O-N 3.23Å; M422-L425 VanDerWaalsContact O-N 3.09Å
423K93.6Very high94.8Very high97 Ų9756.5 Ų56.542%0.42228%0.281SS..G310 helixtrans-66.2-9.1173.856.9163.8161.8142.50115E356 A357 Q421 L425E356-K423 PolarHBondContact O-NZ 2.91Å; A357-K423 HydrophobicContact CB-CD 3.81Å; A357-K423 HydrophobicContact CB-CG 3.81Å; A357-K423 PolarHBondContact O-NZ 2.78Å; Q421-K423 HydrophobicContact CB-CG 3.95Å; Q421-K423 PolarHBondContact O-N 2.91Å; Q421-K423 VanDerWaalsContact O-N 3.15Å; K423-L425 VanDerWaalsContact C-N 3.34Å
424M95.1Very high94.7Very high5 Ų547.9 Ų47.93%0.02524%0.244CC..G310 helixtrans-88.9-0.9173.1-57.5-179.168.800112.9I354 A357 Y399 L419 Y420 Q421 M422 P426I354-M424 HydrophobicContact CG2-CE 4.09Å; A357-M424 HydrophobicContact CB-CG 3.36Å; A357-M424 HydrophobicContact CB-SD 3.71Å; Y399-M424 HydrophobicContact CD1-CB 4.17Å; Y399-M424 HydrophobicContact CD1-CE 4.13Å; Y399-M424 HydrophobicContact CD1-CG 3.9Å; Y399-M424 HydrophobicContact CE1-CB 4.14Å; Y399-M424 HydrophobicContact CE1-CE 4.03Å; Y399-M424 HydrophobicContact CE1-CG 4.29Å; Y399-M424 HydrophobicContact CG-CE 4.45Å; L419-M424 HydrophobicContact CD1-CB 4.08Å; Y420-M424 HydrophobicContact CD2-CE 4.04Å; Y420-M424 HydrophobicContact CD2-SD 3.84Å; Y420-M424 HydrophobicContact CG-SD 4.42Å; Q421-M424 WeakPolarHBondContact O-CB 3.5Å; Q421-M424 PolarHBondContact O-N 3.48Å; M422-M424 PolarHBondContact O-N 2.93Å; M422-M424 VanDerWaalsContact O-N 3.15Å; M424-P426 WeakPolarHBondContact O-CD 3.48Å
425L95.7Very high94.7Very high41 Ų4145.2 Ų45.222%0.21524%0.241CC..SBendtrans-60.9126.8179.4-171.267.5000109.9P401 L419 M422 K423 K427 T429 V470P401-L425 VanDerWaalsContact CB-O 3.3Å; P401-L425 WeakPolarHBondContact CB-O 3.27Å; P401-L425 WeakPolarHBondContact CG-O 3.46Å; L419-L425 HydrophobicContact CD1-CB 3.95Å; L419-L425 HydrophobicContact CD1-CD1 4.19Å; L419-L425 VanDerWaalsContact CD1-N 3.31Å; L419-L425 HydrophobicContact CD2-CD1 4.18Å; M422-L425 VanDerWaalsContact O-CB 3.24Å; M422-L425 WeakPolarHBondContact O-CB 3.1Å; M422-L425 PolarHBondContact O-N 3.23Å; M422-L425 VanDerWaalsContact O-N 3.09Å; K423-L425 VanDerWaalsContact C-N 3.34Å; L425-K427 PolarHBondContact O-N 3.15Å; L425-T429 WeakPolarHBondContact CD2-O 3.49Å; L425-V470 HydrophobicContact CD1-CG1 3.99Å; L425-V470 HydrophobicContact CD1-CG2 4.03Å
426P96.4Very high94.5Very high4 Ų445.3 Ų45.33%0.02624%0.242CC..PPolyproline II helixtrans-54.1140.1175.9-2735.6000112.1P402 P410 V417 M424 G428 T429P402-P426 HydrophobicContact CG-CB 4.43Å; P402-P426 HydrophobicContact CG-CG 4.42Å; P402-P426 CarbonylContact O-C 3.49Å; P402-P426 WeakPolarHBondContact O-CA 3.28Å; P402-P426 WeakPolarHBondContact O-CB 3.5Å; P410-P426 HydrophobicContact CG-CB 4.2Å; V417-P426 HydrophobicContact CG1-CG 4.17Å; M424-P426 WeakPolarHBondContact O-CD 3.48Å; P426-G428 PolarHBondContact O-N 3.44Å; P426-T429 HydrophobicContact CB-CG2 3.89Å; P426-T429 WeakPolarHBondContact CD-OG1 2.99Å; P426-T429 PolarHBondContact O-N 3.25Å; P426-T429 VanDerWaalsContact O-N 3.16Å; P426-T429 PolarHBondContact O-OG1 3.04Å
427K95.2Very high94.5Very high113 Ų11343.9 Ų43.949%0.49123%0.234SC..BIsolated β-bridgetrans-65.4135.6179.9-58.5177.6-177.6176.10109.5P401 P402 A404 L425 T429P401-K427 HydrophobicContact CG-CG 4.29Å; P402-K427 PolarHBondContact O-N 2.86Å; A404-K427 PolarHBondContact N-O 3.35Å; L425-K427 PolarHBondContact O-N 3.15Å; K427-T429 VanDerWaalsContact C-N 3.34Å
428G94.6Very high94.4Very high42 Ų4246.3 Ų46.343%0.43325%0.247SC..THydrogen-bonded Turntrans79.313.5-174.400000114.4P426 E473P426-G428 PolarHBondContact O-N 3.44Å; G428-E473 PolarHBondContact O-N 2.74Å
429T96.5Very high94.3Very high10 Ų1048.9 Ų48.96%0.06126%0.259CS..EExtended strand (participates in β ladder)trans-121.8159.517570.80000111.7A404 V409 L425 P426 K427 V470 V471A404-T429 HydrophobicContact CB-CG2 3.56Å; V409-T429 HydrophobicContact CG2-CG2 4.35Å; L425-T429 WeakPolarHBondContact CD2-O 3.49Å; P426-T429 HydrophobicContact CB-CG2 3.89Å; P426-T429 WeakPolarHBondContact CD-OG1 2.99Å; P426-T429 PolarHBondContact O-N 3.25Å; P426-T429 VanDerWaalsContact O-N 3.16Å; P426-T429 PolarHBondContact O-OG1 3.04Å; K427-T429 VanDerWaalsContact C-N 3.34Å; T429-V470 HydrophobicContact CG2-CG1 4.1Å; T429-V470 WeakPolarHBondContact OG1-CG1 3.36Å; T429-V471 CarbonylContact C-O 3.57Å; T429-V471 WeakPolarHBondContact CA-O 3.4Å; T429-V471 VanDerWaalsContact CB-O 3.28Å; T429-V471 WeakPolarHBondContact CB-O 3.46Å
430V96.3Very high94.2Very high22 Ų2249 Ų4913%0.13326%0.26CS..EExtended strand (participates in β ladder)trans-124.1144.6177.7-64.90000110.2L432 V470 V471 E473 K476V430-L432 HydrophobicContact CG2-CD1 4.47Å; V430-L432 HydrophobicContact CG2-CD2 4.47Å; V430-L432 HydrophobicContact CG2-CG 4.3Å; V430-V470 WeakPolarHBondContact O-CA 3.43Å; V430-V471 PolarHBondContact N-O 2.81Å; V430-V471 PolarHBondContact O-N 3.41Å; V430-V471 VanDerWaalsContact O-N 3.11Å; V430-E473 HydrophobicContact CG1-CB 4.2Å; V430-E473 HydrophobicContact CG1-CG 4.1Å; V430-K476 HydrophobicContact CG1-CD 4.33Å; V430-K476 HydrophobicContact CG2-CB 3.99Å; V430-K476 HydrophobicContact CG2-CD 4.19Å; V430-K476 HydrophobicContact CG2-CG 4.04Å
431Y96.8Very high94.3Very high58 Ų5847.1 Ų47.123%0.22725%0.253CS..EExtended strand (participates in β ladder)trans-91.7131.2171.8173.4-92.6000110.1L419 D433 A451 K467 F469L419-Y431 HydrophobicContact CD2-CD2 3.51Å; L419-Y431 HydrophobicContact CD2-CE2 4.13Å; L419-Y431 HydrophobicContact CD2-CG 4.21Å; Y431-D433 HydrophobicContact CE1-CB 4Å; Y431-A451 HydrophobicContact CD2-CB 4.44Å; Y431-A451 HydrophobicContact CE2-CB 4.22Å; Y431-K467 WeakPolarHBondContact CE2-O 3.33Å; Y431-K467 PolarHBondContact OH-O 2.83Å; Y431-F469 CarbonylContact C-O 3.51Å; Y431-F469 WeakPolarHBondContact CA-O 3.41Å
432L95.9Very high94.4Very high19 Ų1952.7 Ų52.710%0.09927%0.271CS..EExtended strand (participates in β ladder)trans-127.7124.1-179.1-61175.1000110.4V430 A434 L437 G468 F469 V471 K476 M480V430-L432 HydrophobicContact CG2-CD1 4.47Å; V430-L432 HydrophobicContact CG2-CD2 4.47Å; V430-L432 HydrophobicContact CG2-CG 4.3Å; L432-A434 PolarHBondContact O-N 2.9Å; L432-L437 HydrophobicContact CB-CD2 3.89Å; L432-L437 HydrophobicContact CD1-CD2 3.79Å; L432-G468 CarbonylContact O-C 3.46Å; L432-G468 VanDerWaalsContact O-CA 3.28Å; L432-G468 WeakPolarHBondContact O-CA 3.28Å; L432-F469 PolarHBondContact N-O 3.47Å; L432-F469 PolarHBondContact O-N 3.29Å; L432-V471 HydrophobicContact CD1-CB 4.5Å; L432-V471 HydrophobicContact CD1-CG2 4.23Å; L432-K476 HydrophobicContact CD2-CG 4.48Å; L432-M480 HydrophobicContact CD1-CG 4.33Å; L432-M480 HydrophobicContact CD1-SD 4Å; L432-M480 HydrophobicContact CD2-CG 4.41Å; L432-M480 HydrophobicContact CD2-SD 4.02Å; L432-M480 HydrophobicContact CG-SD 4.48Å
433D93.9Very high94.4Very high92 Ų9253.6 Ų53.649%0.49227%0.272SS..  trans-100.770.6175.4-160.22.4000110.5Y431 K467Y431-D433 HydrophobicContact CE1-CB 4Å; D433-K467 WeakPolarHBondContact OD2-CE 3.18Å; D433-K467 IonicContact OD2-NZ 2.69Å
434A92.3Very high94.4Very high5 Ų552.4 Ų52.44%0.04127%0.27CS..  trans-122.8106.6-175.600000111.2L432 G436 L437 F469 W483L432-A434 PolarHBondContact O-N 2.9Å; A434-G436 PolarHBondContact O-N 3.32Å; A434-L437 HydrophobicContact CB-CB 4.19Å; A434-L437 HydrophobicContact CB-CD1 4.1Å; A434-L437 HydrophobicContact CB-CD2 4.3Å; A434-L437 HydrophobicContact CB-CG 4.45Å; A434-L437 VanDerWaalsContact O-CB 3.25Å; A434-L437 WeakPolarHBondContact O-CB 3.08Å; A434-L437 PolarHBondContact O-N 3.21Å; A434-L437 VanDerWaalsContact O-N 3.16Å; A434-F469 WeakPolarHBondContact O-CE2 3.46Å; A434-W483 HydrophobicContact CB-CD2 4.17Å; A434-W483 HydrophobicContact CB-CZ2 4.03Å
435P91.1Very high94.4Very high84 Ų8459.8 Ų59.855%0.54531%0.309SS..THydrogen-bonded Turntrans-58.9130.5-177.4-26.534.2000113.2L437 W483 R487P435-L437 VanDerWaalsContact C-N 3.32Å; P435-W483 PolarHBondContact O-NE1 3.38Å; P435-R487 PolarHBondContact O-NH1 3.23Å
436G89.9Confident94.3Very high29 Ų2958.7 Ų58.730%0.29930%0.303SS..THydrogen-bonded Turntrans79.87-179.500000115A434 L438 E439A434-G436 PolarHBondContact O-N 3.32Å; G436-L438 PolarHBondContact O-N 2.91Å; G436-E439 PolarHBondContact O-N 3.05Å
437L93.8Very high94.3Very high0 Ų060.1 Ų60.10%031%0.311CS..Hα-helixtrans-55.8-35.9179.8-163.468.3000113.1L432 A434 P435 E439 V440 A441 F469 L479 W483L432-L437 HydrophobicContact CB-CD2 3.89Å; L432-L437 HydrophobicContact CD1-CD2 3.79Å; A434-L437 HydrophobicContact CB-CB 4.19Å; A434-L437 HydrophobicContact CB-CD1 4.1Å; A434-L437 HydrophobicContact CB-CD2 4.3Å; A434-L437 HydrophobicContact CB-CG 4.45Å; A434-L437 VanDerWaalsContact O-CB 3.25Å; A434-L437 WeakPolarHBondContact O-CB 3.08Å; A434-L437 PolarHBondContact O-N 3.21Å; A434-L437 VanDerWaalsContact O-N 3.16Å; P435-L437 VanDerWaalsContact C-N 3.32Å; L437-E439 PolarHBondContact O-N 3.29Å; L437-V440 PolarHBondContact O-N 3Å; L437-A441 WeakPolarHBondContact O-CB 3.31Å; L437-A441 PolarHBondContact O-N 3.08Å; L437-F469 HydrophobicContact CB-CD2 3.66Å; L437-F469 HydrophobicContact CB-CE2 3.9Å; L437-F469 HydrophobicContact CB-CG 4.33Å; L437-F469 HydrophobicContact CD2-CB 4.09Å; L437-F469 HydrophobicContact CD2-CD2 3.98Å; L437-F469 HydrophobicContact CD2-CG 4.29Å; L437-F469 HydrophobicContact CG-CD2 4.46Å; L437-L479 HydrophobicContact CD1-CD1 4.15Å; L437-L479 HydrophobicContact CD1-CD2 4.11Å; L437-L479 HydrophobicContact CD1-CG 3.77Å; L437-L479 HydrophobicContact CD2-CD2 3.86Å; L437-L479 HydrophobicContact CD2-CG 4.44Å; L437-L479 HydrophobicContact CG-CD1 4.42Å; L437-L479 HydrophobicContact CG-CD2 3.89Å; L437-L479 HydrophobicContact CG-CG 4.1Å; L437-W483 HydrophobicContact CD1-CB 3.74Å; L437-W483 HydrophobicContact CD1-CG 3.77Å
438L92.9Very high94.2Very high59 Ų5955.5 Ų55.531%0.30929%0.292SS..Hα-helixtrans-57.5-33.8176.8-75.7173.4000113.8G436 R442 C448 F469G436-L438 PolarHBondContact O-N 2.91Å; L438-R442 WeakPolarHBondContact O-CB 3.34Å; L438-R442 PolarHBondContact O-N 3.24Å; L438-C448 HydrophobicContact CD2-CB 4.21Å; L438-C448 WeakPolarHBondContact CD2-O 3.28Å; L438-F469 HydrophobicContact CB-CE1 4.44Å; L438-F469 HydrophobicContact CD1-CD1 4.03Å; L438-F469 HydrophobicContact CD1-CE1 3.36Å; L438-F469 HydrophobicContact CD1-CZ 4.17Å; L438-F469 HydrophobicContact CD2-CD1 3.91Å; L438-F469 HydrophobicContact CD2-CE1 4.09Å; L438-F469 HydrophobicContact CG-CD1 3.61Å; L438-F469 HydrophobicContact CG-CE1 3.3Å; L438-F469 HydrophobicContact CG-CZ 4.04Å
439E92.9Very high94.3Very high122 Ų12253.6 Ų53.657%0.5727%0.272SS*.Hα-helixtrans-71.7-37.9177.6-65.3-177.917700111G436 L437 K443G436-E439 PolarHBondContact O-N 3.05Å; L437-E439 PolarHBondContact O-N 3.29Å; E439-K443 WeakPolarHBondContact O-CG 3.47Å; E439-K443 PolarHBondContact O-N 3.02Å
440V94.6Very high94.3Very high4 Ų454.1 Ų54.12%0.02428%0.276CS..Hα-helixtrans-69.4-46.7177.5-176.20000110.3L437 R442 K443 L444 L479 A482 W483 E486L437-V440 PolarHBondContact O-N 3Å; V440-R442 VanDerWaalsContact C-N 3.27Å; V440-R442 PolarHBondContact O-N 3.06Å; V440-K443 WeakPolarHBondContact O-CB 3.4Å; V440-K443 PolarHBondContact O-N 3.23Å; V440-L444 HydrophobicContact CG1-CD1 4.41Å; V440-L444 PolarHBondContact O-N 3.46Å; V440-L479 HydrophobicContact CB-CD1 4.35Å; V440-L479 HydrophobicContact CG1-CD1 4.06Å; V440-A482 HydrophobicContact CG1-CB 3.68Å; V440-W483 HydrophobicContact CG1-CB 4.44Å; V440-W483 HydrophobicContact CG2-CB 4.45Å; V440-E486 HydrophobicContact CG2-CB 4.09Å; V440-E486 HydrophobicContact CG2-CG 4.21Å
441A95.2Very high94.3Very high2 Ų253.1 Ų53.12%0.01727%0.27CS..Hα-helixtrans-58-40.3177.600000112.1L437 K443 L444 D445 I446 C448 L479L437-A441 WeakPolarHBondContact O-CB 3.31Å; L437-A441 PolarHBondContact O-N 3.08Å; A441-K443 VanDerWaalsContact C-N 3.3Å; A441-K443 PolarHBondContact O-N 3.02Å; A441-L444 CarbonylContact O-C 3.53Å; A441-L444 PolarHBondContact O-N 3.41Å; A441-L444 VanDerWaalsContact O-N 3.13Å; A441-D445 PolarHBondContact O-N 2.99Å; A441-I446 PolarHBondContact O-N 3.13Å; A441-I446 VanDerWaalsContact O-N 3.09Å; A441-C448 HydrophobicContact CB-CB 3.38Å; A441-L479 HydrophobicContact CB-CD1 3.74Å; A441-L479 HydrophobicContact CB-CD2 4.31Å
442R95.1Very high94.2Very high186 Ų18650.5 Ų50.570%0.70226%0.26SS*.Hα-helixtrans-65-30.7176.3-161.9-170.9-45.1158.710.8113.4L438 V440 L444L438-R442 WeakPolarHBondContact O-CB 3.34Å; L438-R442 PolarHBondContact O-N 3.24Å; V440-R442 VanDerWaalsContact C-N 3.27Å; V440-R442 PolarHBondContact O-N 3.06Å; R442-L444 VanDerWaalsContact C-N 3.31Å
443K94.3Very high94.1Very high132 Ų13251.9 Ų51.957%0.57427%0.269SS*.Hα-helixtrans-72.2-28.6174.5-68177.7-169.9-176.90112.2E439 V440 A441 E486E439-K443 WeakPolarHBondContact O-CG 3.47Å; E439-K443 PolarHBondContact O-N 3.02Å; V440-K443 WeakPolarHBondContact O-CB 3.4Å; V440-K443 PolarHBondContact O-N 3.23Å; A441-K443 VanDerWaalsContact C-N 3.3Å; A441-K443 PolarHBondContact O-N 3.02Å; K443-E486 IonicContact NZ-OE1 2.82Å; K443-E486 PolarHBondContact NZ-OE1 3.08Å; K443-E486 VanDerWaalsContact NZ-OE1 3.11Å; K443-E486 IonicContact NZ-OE2 2.66Å; K443-E486 PolarHBondContact NZ-OE2 3.1Å
444L94.3Very high94.1Very high72 Ų7248.1 Ų48.138%0.37725%0.252SS..Hα-helixtrans-96.1-1.4-178.3-64.6178.3000113.9V440 A441 R442 I446 I478 L479 A482V440-L444 HydrophobicContact CG1-CD1 4.41Å; V440-L444 PolarHBondContact O-N 3.46Å; A441-L444 CarbonylContact O-C 3.53Å; A441-L444 PolarHBondContact O-N 3.41Å; A441-L444 VanDerWaalsContact O-N 3.13Å; R442-L444 VanDerWaalsContact C-N 3.31Å; L444-I446 HydrophobicContact CB-CD1 3.66Å; L444-I446 HydrophobicContact CB-CG1 3.9Å; L444-I446 HydrophobicContact CD1-CD1 3.76Å; L444-I446 HydrophobicContact CG-CD1 4.39Å; L444-I446 PolarHBondContact O-N 2.87Å; L444-I478 HydrophobicContact CD1-CG2 4.28Å; L444-L479 HydrophobicContact CD1-CD1 4.17Å; L444-A482 HydrophobicContact CD1-CB 3.56Å; L444-A482 HydrophobicContact CG-CB 4.45Å
445D94.3Very high94.1Very high159 Ų15952.2 Ų52.285%0.8527%0.267SS*.THydrogen-bonded Turntrans55.535.9-174-155.533.5000113.5A441A441-D445 PolarHBondContact O-N 2.99Å
446I94.7Very high94.1Very high18 Ų1853.3 Ų53.39%0.09226%0.264CS..  trans-98.1135.1178.3-66.9167.8000109.5A441 L444 C448 V471 F475 I478 L479A441-I446 PolarHBondContact O-N 3.13Å; A441-I446 VanDerWaalsContact O-N 3.09Å; L444-I446 HydrophobicContact CB-CD1 3.66Å; L444-I446 HydrophobicContact CB-CG1 3.9Å; L444-I446 HydrophobicContact CD1-CD1 3.76Å; L444-I446 HydrophobicContact CG-CD1 4.39Å; L444-I446 PolarHBondContact O-N 2.87Å; I446-C448 PolarHBondContact O-N 3Å; I446-V471 HydrophobicContact CG2-CG1 3.95Å; I446-F475 HydrophobicContact CD1-CB 4.16Å; I446-F475 HydrophobicContact CD1-CD1 4.3Å; I446-F475 HydrophobicContact CD1-CG 4.41Å; I446-F475 HydrophobicContact CG1-CB 4.38Å; I446-F475 HydrophobicContact CG1-CD1 4.14Å; I446-F475 HydrophobicContact CG1-CG 4.21Å; I446-F475 HydrophobicContact CG2-CB 3.59Å; I446-F475 HydrophobicContact CG2-CD2 3.94Å; I446-F475 HydrophobicContact CG2-CG 3.79Å; I446-I478 HydrophobicContact CD1-CG2 4.23Å; I446-L479 HydrophobicContact CD1-CB 4.26Å; I446-L479 HydrophobicContact CG2-CD2 4.49Å
447D95Very high93.8Very high35 Ų3559.4 Ų59.419%0.18728%0.283CS..  trans-71113177-164.430.2000112G407 V409 R411G407-D447 WeakPolarHBondContact O-CB 3.12Å; V409-D447 PolarHBondContact N-OD2 3.18Å; R411-D447 IonicContact CZ-OD1 3.57Å; R411-D447 IonicContact CZ-OD2 3.82Å; R411-D447 IonicContact NE-OD2 3.89Å; R411-D447 IonicContact NH2-OD1 2.56Å; R411-D447 PolarHBondContact NH2-OD1 2.81Å; R411-D447 IonicContact NH2-OD2 2.93Å; R411-D447 PolarHBondContact NH2-OD2 3.35Å
448C94.6Very high93.3Very high15 Ų1563 Ų6310%0.10130%0.299CS..EExtended strand (participates in β ladder)trans-134.5122.1-178.1-177.50000109.3L438 A441 I446 F469 V471L438-C448 HydrophobicContact CD2-CB 4.21Å; L438-C448 WeakPolarHBondContact CD2-O 3.28Å; A441-C448 HydrophobicContact CB-CB 3.38Å; I446-C448 PolarHBondContact O-N 3Å; C448-F469 VanDerWaalsContact SG-CB 3.6Å; C448-V471 HydrophobicContact CB-CG2 3.9Å; C448-V471 VanDerWaalsContact SG-CG2 3.53Å
449V95.4Very high92.2Very high2 Ų266 Ų661%0.01232%0.324CS..EExtended strand (participates in β ladder)trans-122.1133.9-170.6-176.90000110.2V409 R411 G415 V417 F469 V470V409-V449 HydrophobicContact CB-CG2 3.93Å; V409-V449 HydrophobicContact CG1-CB 4.39Å; V409-V449 HydrophobicContact CG1-CG2 4.27Å; V409-V449 HydrophobicContact CG2-CG2 4.49Å; R411-V449 HydrophobicContact CG-CG1 4.39Å; R411-V449 HydrophobicContact CG-CG2 4.28Å; G415-V449 VanDerWaalsContact O-CG1 3.27Å; G415-V449 WeakPolarHBondContact O-CG1 3.28Å; V417-V449 HydrophobicContact CG2-CB 4.24Å; V417-V449 HydrophobicContact CG2-CG1 3.88Å; V449-F469 CarbonylContact O-C 3.56Å; V449-F469 WeakPolarHBondContact O-CA 3.44Å; V449-V470 PolarHBondContact N-O 3.25Å; V449-V470 PolarHBondContact O-N 2.9Å
450P95.8Very high91.4Very high22 Ų2271.5 Ų71.514%0.14334%0.34CS..EExtended strand (participates in β ladder)trans-69.2143.6176.129.8-35.5000111.9N416 V417 L466 F469N416-P450 WeakPolarHBondContact OD1-CG 3.48Å; V417-P450 PolarHBondContact N-O 3.49Å; P450-L466 HydrophobicContact CB-CD1 4.47Å; P450-L466 HydrophobicContact CB-CD2 4.35Å; P450-F469 HydrophobicContact CB-CD1 4.22Å; P450-F469 HydrophobicContact CB-CE1 4.2Å
451A96.4Very high90.7Very high0 Ų073.9 Ų73.90%036%0.357CS..EExtended strand (participates in β ladder)trans-95.6127.7178.600000111.8V417 L419 Y431 V453 L466 K467 G468 V470V417-A451 CarbonylContact O-C 3.54Å; V417-A451 WeakPolarHBondContact O-CA 3.39Å; L419-A451 HydrophobicContact CB-CB 4.03Å; L419-A451 HydrophobicContact CD2-CB 4.1Å; Y431-A451 HydrophobicContact CD2-CB 4.44Å; Y431-A451 HydrophobicContact CE2-CB 4.22Å; A451-V453 PolarHBondContact O-N 2.83Å; A451-L466 WeakPolarHBondContact O-CA 3.17Å; A451-K467 WeakPolarHBondContact CB-O 3.41Å; A451-K467 PolarHBondContact O-N 2.88Å; A451-G468 PolarHBondContact N-O 3.39Å; A451-G468 VanDerWaalsContact N-O 3.15Å; A451-V470 HydrophobicContact CB-CG2 4.13Å
452V96.2Very high90.3Very high4 Ų476.6 Ų76.62%0.02438%0.375CS..EExtended strand (participates in β ladder)trans-82.1105.2170-178.70000107.9N416 V417 E418 L419 Y420 P464 L466N416-V452 HydrophobicContact CB-CG2 3.79Å; V417-V452 PolarHBondContact O-N 2.71Å; E418-V452 HydrophobicContact CG-CB 4.49Å; L419-V452 CarbonylContact C-O 3.58Å; L419-V452 PolarHBondContact N-O 2.8Å; Y420-V452 HydrophobicContact CE1-CG1 4.38Å; V452-P464 HydrophobicContact CG1-CB 3.86Å; V452-P464 HydrophobicContact CG2-CB 4.23Å; V452-L466 HydrophobicContact CB-CD2 4.44Å; V452-L466 HydrophobicContact CG2-CD2 3.58Å
453V94.2Very high90.1Very high47 Ų4771.5 Ų71.529%0.28536%0.359SS..EExtended strand (participates in β ladder)trans-94-16.1-178.6-62.90000112.9A451 I465 K467A451-V453 PolarHBondContact O-N 2.83Å; V453-I465 HydrophobicContact CG2-CB 4.2Å; V453-I465 HydrophobicContact CG2-CG2 3.81Å; V453-I465 WeakPolarHBondContact CG2-O 3.46Å; V453-I465 PolarHBondContact N-O 2.97Å; V453-K467 HydrophobicContact CG1-CB 4.04Å; V453-K467 HydrophobicContact CG2-CB 3.63Å
454G93.2Very high90.1Very high14 Ų1467.9 Ų67.914%0.14435%0.349CS..EExtended strand (participates in β ladder)trans-176.8-169.5-176.600000113I465G454-I465 PolarHBondContact O-N 2.99Å
455W92Very high90.1Very high91 Ų9167.8 Ų67.835%0.34535%0.348SS..EExtended strand (participates in β ladder)trans-136.4132.9-178.5-6882.3000110.2Y420 F457 H463 P464Y420-W455 AromaticContact CE1-NE1 3.85Å; Y420-W455 PolarHBondContact OH-NE1 3.42Å; W455-F457 HydrophobicContact CB-CE2 3.87Å; W455-F457 HydrophobicContact CB-CZ 3.92Å; W455-H463 CarbonylContact C-O 3.47Å; W455-H463 WeakPolarHBondContact CA-O 3.49Å; W455-P464 HydrophobicContact CE3-CB 4.37Å; W455-P464 HydrophobicContact CH2-CB 4.36Å; W455-P464 HydrophobicContact CZ3-CB 4.24Å
456E90.4Very high90.1Very high106 Ų10664.5 Ų64.550%0.49533%0.33SS..EExtended strand (participates in β ladder)trans-103.2130.9174.3-165172.4-174.900110.1H458 S462 H463 I465E456-H458 IonicContact OE1-CD2 2.84Å; E456-H458 IonicContact OE2-CD2 2.83Å; E456-S462 WeakPolarHBondContact O-CA 3.44Å; E456-H463 PolarHBondContact N-O 3.41Å; E456-H463 PolarHBondContact O-N 3.5Å; E456-I465 HydrophobicContact CB-CD1 4.19Å; E456-I465 HydrophobicContact CB-CG1 4.04Å
457F85.1Confident90Very high157 Ų15769 Ų6969%0.68935%0.349SS*.EExtended strand (participates in β ladder)trans-113.895.7-179.1-58.7-87.6000108.9W455W455-F457 HydrophobicContact CB-CE2 3.87Å; W455-F457 HydrophobicContact CB-CZ 3.92Å
458H82.4Confident90Very high75 Ų7567.6 Ų67.635%0.34734%0.343SS..EExtended strand (participates in β ladder)trans-132149.4176.558.554.9000110.8E456 R460 S461 H463E456-H458 IonicContact OE1-CD2 2.84Å; E456-H458 IonicContact OE2-CD2 2.83Å; H458-R460 VanDerWaalsContact C-N 3.33Å; H458-R460 PolarHBondContact O-N 3.49Å; H458-R460 VanDerWaalsContact O-N 3.16Å; H458-S461 PolarHBondContact N-O 3.28Å; H458-S461 PolarHBondContact O-N 2.83Å; H458-H463 AromaticContact CE1-CD2 3.13Å; H458-H463 PolarHBondContact CE1-CD2 2.97Å; H458-H463 AromaticContact CE1-NE2 3.46Å; H458-H463 PolarHBondContact CE1-NE2 3.4Å; H458-H463 AromaticContact ND1-CD2 3.79Å; H458-H463 AromaticContact NE2-CD2 3.62Å
459C70.3Confident90.1Very high122 Ų12268.2 Ų68.282%0.82434%0.344SS*.THydrogen-bonded Turntrans48.846.6170.7-56.40000114.7S461C459-S461 PolarHBondContact O-N 2.92Å
460R75.7Confident90.2Very high239 Ų23968.1 Ų68.190%0.90234%0.344SS*.THydrogen-bonded Turntrans69.81.7179-51.2178.7178-177.1-0.3116.4H458H458-R460 VanDerWaalsContact C-N 3.33Å; H458-R460 PolarHBondContact O-N 3.49Å; H458-R460 VanDerWaalsContact O-N 3.16Å
461S80.5Confident90.2Very high54 Ų5467 Ų6738%0.37834%0.337SS..EExtended strand (participates in β ladder)trans-116.8164.4178.7-174.80000111.3H458 C459 H463H458-S461 PolarHBondContact N-O 3.28Å; H458-S461 PolarHBondContact O-N 2.83Å; C459-S461 PolarHBondContact O-N 2.92Å; S461-H463 VanDerWaalsContact CB-NE2 3.28Å; S461-H463 WeakPolarHBondContact CB-NE2 3.43Å; S461-H463 PolarHBondContact OG-CE1 2.98Å; S461-H463 PolarHBondContact OG-NE2 3.46Å
462S87.2Confident90.2Very high59 Ų5967.2 Ų67.241%0.41334%0.338SS..EExtended strand (participates in β ladder)trans-120.4123.7173.957.50000108.9E456E456-S462 WeakPolarHBondContact O-CA 3.44Å
463H90.6Very high90.2Very high79 Ų7973 Ų7337%0.36636%0.364SS..EExtended strand (participates in β ladder)trans-119.7136.6-178.7-60.8-85.9000110.3W455 E456 H458 S461W455-H463 CarbonylContact C-O 3.47Å; W455-H463 WeakPolarHBondContact CA-O 3.49Å; E456-H463 PolarHBondContact N-O 3.41Å; E456-H463 PolarHBondContact O-N 3.5Å; H458-H463 AromaticContact CE1-CD2 3.13Å; H458-H463 PolarHBondContact CE1-CD2 2.97Å; H458-H463 AromaticContact CE1-NE2 3.46Å; H458-H463 PolarHBondContact CE1-NE2 3.4Å; H458-H463 AromaticContact ND1-CD2 3.79Å; H458-H463 AromaticContact NE2-CD2 3.62Å; S461-H463 VanDerWaalsContact CB-NE2 3.28Å; S461-H463 WeakPolarHBondContact CB-NE2 3.43Å; S461-H463 PolarHBondContact OG-CE1 2.98Å; S461-H463 PolarHBondContact OG-NE2 3.46Å
464P93.9Very high90.2Very high55 Ų5576.7 Ų76.736%0.35738%0.379SS..EExtended strand (participates in β ladder)trans-70.7135.7175.229.6-33.4000110.2V452 W455 L466V452-P464 HydrophobicContact CG1-CB 3.86Å; V452-P464 HydrophobicContact CG2-CB 4.23Å; W455-P464 HydrophobicContact CE3-CB 4.37Å; W455-P464 HydrophobicContact CH2-CB 4.36Å; W455-P464 HydrophobicContact CZ3-CB 4.24Å; P464-L466 PolarHBondContact O-N 3.48Å
465I94.3Very high90.3Very high70 Ų7078.8 Ų78.836%0.35938%0.384SS..EExtended strand (participates in β ladder)trans-85.3107.6172.7-57.7171.9000107V453 G454 E456V453-I465 HydrophobicContact CG2-CB 4.2Å; V453-I465 HydrophobicContact CG2-CG2 3.81Å; V453-I465 WeakPolarHBondContact CG2-O 3.46Å; V453-I465 PolarHBondContact N-O 2.97Å; G454-I465 PolarHBondContact O-N 2.99Å; E456-I465 HydrophobicContact CB-CD1 4.19Å; E456-I465 HydrophobicContact CB-CG1 4.04Å
466L94Very high90.4Very high91 Ų9178.5 Ų78.548%0.47639%0.385SS..EExtended strand (participates in β ladder)trans-90116.7175.9-59.2177.7000109.1P450 A451 V452 P464P450-L466 HydrophobicContact CB-CD1 4.47Å; P450-L466 HydrophobicContact CB-CD2 4.35Å; A451-L466 WeakPolarHBondContact O-CA 3.17Å; V452-L466 HydrophobicContact CB-CD2 4.44Å; V452-L466 HydrophobicContact CG2-CD2 3.58Å; P464-L466 PolarHBondContact O-N 3.48Å
467K93.7Very high90.7Very high111 Ų11178.6 Ų78.648%0.48339%0.389SS..EExtended strand (participates in β ladder)trans-138.6130177.3-169-177.2177.8-1720110Y431 D433 A451 V453Y431-K467 WeakPolarHBondContact CE2-O 3.33Å; Y431-K467 PolarHBondContact OH-O 2.83Å; D433-K467 WeakPolarHBondContact OD2-CE 3.18Å; D433-K467 IonicContact OD2-NZ 2.69Å; A451-K467 WeakPolarHBondContact CB-O 3.41Å; A451-K467 PolarHBondContact O-N 2.88Å; V453-K467 HydrophobicContact CG1-CB 4.04Å; V453-K467 HydrophobicContact CG2-CB 3.63Å
468G94.7Very high91.2Very high6 Ų675.9 Ų75.96%0.06238%0.381CS..EExtended strand (participates in β ladder)trans62.7-176.3-176.400000113.7L432 A451L432-G468 CarbonylContact O-C 3.46Å; L432-G468 VanDerWaalsContact O-CA 3.28Å; L432-G468 WeakPolarHBondContact O-CA 3.28Å; A451-G468 PolarHBondContact N-O 3.39Å; A451-G468 VanDerWaalsContact N-O 3.15Å
469F96.1Very high91.8Very high28 Ų2872.3 Ų72.312%0.12336%0.364CS..EExtended strand (participates in β ladder)trans-136.9148.4-171.8-54.1-73.6000110.6Y431 L432 A434 L437 L438 C448 V449 P450Y431-F469 CarbonylContact C-O 3.51Å; Y431-F469 WeakPolarHBondContact CA-O 3.41Å; L432-F469 PolarHBondContact N-O 3.47Å; L432-F469 PolarHBondContact O-N 3.29Å; A434-F469 WeakPolarHBondContact O-CE2 3.46Å; L437-F469 HydrophobicContact CB-CD2 3.66Å; L437-F469 HydrophobicContact CB-CE2 3.9Å; L437-F469 HydrophobicContact CB-CG 4.33Å; L437-F469 HydrophobicContact CD2-CB 4.09Å; L437-F469 HydrophobicContact CD2-CD2 3.98Å; L437-F469 HydrophobicContact CD2-CG 4.29Å; L437-F469 HydrophobicContact CG-CD2 4.46Å; L438-F469 HydrophobicContact CB-CE1 4.44Å; L438-F469 HydrophobicContact CD1-CD1 4.03Å; L438-F469 HydrophobicContact CD1-CE1 3.36Å; L438-F469 HydrophobicContact CD1-CZ 4.17Å; L438-F469 HydrophobicContact CD2-CD1 3.91Å; L438-F469 HydrophobicContact CD2-CE1 4.09Å; L438-F469 HydrophobicContact CG-CD1 3.61Å; L438-F469 HydrophobicContact CG-CE1 3.3Å; L438-F469 HydrophobicContact CG-CZ 4.04Å; C448-F469 VanDerWaalsContact SG-CB 3.6Å; V449-F469 CarbonylContact O-C 3.56Å; V449-F469 WeakPolarHBondContact O-CA 3.44Å; P450-F469 HydrophobicContact CB-CD1 4.22Å; P450-F469 HydrophobicContact CB-CE1 4.2Å
470V96.6Very high93Very high0 Ų068.6 Ų68.60%034%0.335CS..EExtended strand (participates in β ladder)trans-110.1130.9173.6-1780000108.2V409 V417 L419 L425 T429 V430 V449 A451V409-V470 HydrophobicContact CG1-CB 4.18Å; V409-V470 HydrophobicContact CG1-CG1 3.69Å; V409-V470 HydrophobicContact CG2-CG1 4.44Å; V417-V470 HydrophobicContact CB-CG2 4.19Å; V417-V470 HydrophobicContact CG1-CG2 4.29Å; V417-V470 HydrophobicContact CG2-CB 4.2Å; V417-V470 HydrophobicContact CG2-CG2 4.28Å; L419-V470 HydrophobicContact CD2-CG2 4.32Å; L425-V470 HydrophobicContact CD1-CG1 3.99Å; L425-V470 HydrophobicContact CD1-CG2 4.03Å; T429-V470 HydrophobicContact CG2-CG1 4.1Å; T429-V470 WeakPolarHBondContact OG1-CG1 3.36Å; V430-V470 WeakPolarHBondContact O-CA 3.43Å; V449-V470 PolarHBondContact N-O 3.25Å; V449-V470 PolarHBondContact O-N 2.9Å; A451-V470 HydrophobicContact CB-CG2 4.13Å
471V96.4Very high94Very high0 Ų061.5 Ų61.50%032%0.315CS..EExtended strand (participates in β ladder)trans-139.3149-177.7-175.70000108.4T429 V430 L432 I446 C448 F475 L479T429-V471 CarbonylContact C-O 3.57Å; T429-V471 WeakPolarHBondContact CA-O 3.4Å; T429-V471 VanDerWaalsContact CB-O 3.28Å; T429-V471 WeakPolarHBondContact CB-O 3.46Å; V430-V471 PolarHBondContact N-O 2.81Å; V430-V471 PolarHBondContact O-N 3.41Å; V430-V471 VanDerWaalsContact O-N 3.11Å; L432-V471 HydrophobicContact CD1-CB 4.5Å; L432-V471 HydrophobicContact CD1-CG2 4.23Å; I446-V471 HydrophobicContact CG2-CG1 3.95Å; C448-V471 HydrophobicContact CB-CG2 3.9Å; C448-V471 VanDerWaalsContact SG-CG2 3.53Å; V471-F475 HydrophobicContact CG1-CB 4.03Å; V471-L479 HydrophobicContact CB-CD2 4.43Å; V471-L479 HydrophobicContact CG1-CD2 4Å; V471-L479 HydrophobicContact CG2-CD2 3.72Å
472C96.9Very high94.7Very high4 Ų460 Ų603%0.02731%0.307CS..EExtended strand (participates in β ladder)trans-60.9142.8171.7-64.80000111.1G407 E474 F475G407-C472 PolarHBondContact O-SG 3.43Å; C472-E474 HydrophobicContact CB-CG 4.15Å; C472-E474 PolarHBondContact O-N 3.23Å; C472-F475 HydrophobicContact CB-CD2 4.08Å; C472-F475 PolarHBondContact O-N 3.36Å; C472-F475 VanDerWaalsContact O-N 3.15Å
473E95.6Very high95.2Very high124 Ų12459.6 Ų59.658%0.57930%0.296SS*.G310 helixtrans-58.6-35.3-174-174.2169-160.900112.6G428 V430 F475 K476G428-E473 PolarHBondContact O-N 2.74Å; V430-E473 HydrophobicContact CG1-CB 4.2Å; V430-E473 HydrophobicContact CG1-CG 4.1Å; E473-F475 VanDerWaalsContact C-N 3.26Å; E473-F475 PolarHBondContact O-N 2.88Å; E473-K476 VanDerWaalsContact O-CB 3.27Å; E473-K476 WeakPolarHBondContact O-CB 3.47Å; E473-K476 PolarHBondContact O-N 3Å
474E94.7Very high95.4Very high125 Ų12561 Ų6158%0.58430%0.301SS*.G310 helixtrans-60-29.117968.4-167.815100114.4G407 C472G407-E474 WeakPolarHBondContact CA-OE1 3.38Å; G407-E474 PolarHBondContact N-OE1 2.98Å; C472-E474 HydrophobicContact CB-CG 4.15Å; C472-E474 PolarHBondContact O-N 3.23Å
475F95.1Very high95.4Very high59 Ų5964.4 Ų64.426%0.25931%0.312SS..G310 helixtrans-98.6-3.3-177.1-62.6-57.9000113.6I446 V471 C472 E473 D477 L479I446-F475 HydrophobicContact CD1-CB 4.16Å; I446-F475 HydrophobicContact CD1-CD1 4.3Å; I446-F475 HydrophobicContact CD1-CG 4.41Å; I446-F475 HydrophobicContact CG1-CB 4.38Å; I446-F475 HydrophobicContact CG1-CD1 4.14Å; I446-F475 HydrophobicContact CG1-CG 4.21Å; I446-F475 HydrophobicContact CG2-CB 3.59Å; I446-F475 HydrophobicContact CG2-CD2 3.94Å; I446-F475 HydrophobicContact CG2-CG 3.79Å; V471-F475 HydrophobicContact CG1-CB 4.03Å; C472-F475 HydrophobicContact CB-CD2 4.08Å; C472-F475 PolarHBondContact O-N 3.36Å; C472-F475 VanDerWaalsContact O-N 3.15Å; E473-F475 VanDerWaalsContact C-N 3.26Å; E473-F475 PolarHBondContact O-N 2.88Å; F475-D477 PolarHBondContact O-N 3Å; F475-L479 WeakPolarHBondContact O-CB 3.43Å; F475-L479 PolarHBondContact O-N 3.15Å
476K94.9Very high95.3Very high85 Ų8563.5 Ų63.537%0.3731%0.306SS..Hα-helixtrans-52.8-54.2-174.8177.1-170.2170.4-167.90111.7V430 L432 E473 L479 M480V430-K476 HydrophobicContact CG1-CD 4.33Å; V430-K476 HydrophobicContact CG2-CB 3.99Å; V430-K476 HydrophobicContact CG2-CD 4.19Å; V430-K476 HydrophobicContact CG2-CG 4.04Å; L432-K476 HydrophobicContact CD2-CG 4.48Å; E473-K476 VanDerWaalsContact O-CB 3.27Å; E473-K476 WeakPolarHBondContact O-CB 3.47Å; E473-K476 PolarHBondContact O-N 3Å; K476-L479 PolarHBondContact O-N 3.23Å; K476-M480 WeakPolarHBondContact O-CB 3.41Å; K476-M480 WeakPolarHBondContact O-CG 3.41Å; K476-M480 PolarHBondContact O-N 3.47Å
477D95.9Very high95.3Very high108 Ų10863.2 Ų63.258%0.57830%0.299SS*.Hα-helixtrans-69.7-45.5-170.5-62.9-26.2000111.1F475 L479 M480 D481F475-D477 PolarHBondContact O-N 3Å; D477-L479 VanDerWaalsContact C-N 3.31Å; D477-L479 PolarHBondContact O-N 3.06Å; D477-M480 PolarHBondContact O-N 3.03Å; D477-D481 WeakPolarHBondContact O-CB 3.43Å; D477-D481 PolarHBondContact O-N 3.37Å
478I95.4Very high95.3Very high99 Ų9962.9 Ų62.951%0.50831%0.306SS..Hα-helixtrans-56-48175.8-58.4174.6000110.5L444 I446 A482L444-I478 HydrophobicContact CD1-CG2 4.28Å; I446-I478 HydrophobicContact CD1-CG2 4.23Å; I478-A482 WeakPolarHBondContact O-CB 3.21Å; I478-A482 PolarHBondContact O-N 3.47Å; I478-A482 VanDerWaalsContact O-N 3.1Å
479L95.6Very high95.2Very high0 Ų065.3 Ų65.30%032%0.317CS..Hα-helixtrans-68.8-39.3-177.3-176.860.9000112.1L437 V440 A441 L444 I446 V471 F475 K476 D477 W483L437-L479 HydrophobicContact CD1-CD1 4.15Å; L437-L479 HydrophobicContact CD1-CD2 4.11Å; L437-L479 HydrophobicContact CD1-CG 3.77Å; L437-L479 HydrophobicContact CD2-CD2 3.86Å; L437-L479 HydrophobicContact CD2-CG 4.44Å; L437-L479 HydrophobicContact CG-CD1 4.42Å; L437-L479 HydrophobicContact CG-CD2 3.89Å; L437-L479 HydrophobicContact CG-CG 4.1Å; V440-L479 HydrophobicContact CB-CD1 4.35Å; V440-L479 HydrophobicContact CG1-CD1 4.06Å; A441-L479 HydrophobicContact CB-CD1 3.74Å; A441-L479 HydrophobicContact CB-CD2 4.31Å; L444-L479 HydrophobicContact CD1-CD1 4.17Å; I446-L479 HydrophobicContact CD1-CB 4.26Å; I446-L479 HydrophobicContact CG2-CD2 4.49Å; V471-L479 HydrophobicContact CB-CD2 4.43Å; V471-L479 HydrophobicContact CG1-CD2 4Å; V471-L479 HydrophobicContact CG2-CD2 3.72Å; F475-L479 WeakPolarHBondContact O-CB 3.43Å; F475-L479 PolarHBondContact O-N 3.15Å; K476-L479 PolarHBondContact O-N 3.23Å; D477-L479 VanDerWaalsContact C-N 3.31Å; D477-L479 PolarHBondContact O-N 3.06Å; L479-W483 VanDerWaalsContact O-CB 3.31Å; L479-W483 WeakPolarHBondContact O-CB 3.37Å; L479-W483 PolarHBondContact O-N 3.01Å
480M96.1Very high95Very high44 Ų4465.8 Ų65.822%0.21733%0.326CS..Hα-helixtrans-69.1-38.4178.6-73.1-60.7-61.500112.1L432 K476 D477 W483 K484L432-M480 HydrophobicContact CD1-CG 4.33Å; L432-M480 HydrophobicContact CD1-SD 4Å; L432-M480 HydrophobicContact CD2-CG 4.41Å; L432-M480 HydrophobicContact CD2-SD 4.02Å; L432-M480 HydrophobicContact CG-SD 4.48Å; K476-M480 WeakPolarHBondContact O-CB 3.41Å; K476-M480 WeakPolarHBondContact O-CG 3.41Å; K476-M480 PolarHBondContact O-N 3.47Å; D477-M480 PolarHBondContact O-N 3.03Å; M480-W483 HydrophobicContact CE-CE3 4.48Å; M480-W483 PolarHBondContact O-N 3.08Å; M480-K484 VanDerWaalsContact O-CG 3.3Å; M480-K484 WeakPolarHBondContact O-CG 3.13Å; M480-K484 PolarHBondContact O-N 2.74Å
481D95.8Very high94.8Very high90 Ų9070.6 Ų70.648%0.48136%0.355SS..Hα-helixtrans-68.4-43.5177.3-74.4-14.6000111.8D477 W483 K484 E485D477-D481 WeakPolarHBondContact O-CB 3.43Å; D477-D481 PolarHBondContact O-N 3.37Å; D481-W483 VanDerWaalsContact C-N 3.28Å; D481-W483 PolarHBondContact O-N 3.31Å; D481-K484 WeakPolarHBondContact O-CB 3.26Å; D481-K484 PolarHBondContact O-N 2.87Å; D481-K484 IonicContact OD1-NZ 3.41Å; D481-K484 PolarHBondContact OD1-NZ 3.38Å; D481-E485 PolarHBondContact O-N 2.98Å
482A95.8Very high94.7Very high24 Ų2478.8 Ų78.820%0.19839%0.386CS..Hα-helixtrans-62.3-35.9172.200000112.5V440 L444 I478 E485 E486V440-A482 HydrophobicContact CG1-CB 3.68Å; L444-A482 HydrophobicContact CD1-CB 3.56Å; L444-A482 HydrophobicContact CG-CB 4.45Å; I478-A482 WeakPolarHBondContact O-CB 3.21Å; I478-A482 PolarHBondContact O-N 3.47Å; I478-A482 VanDerWaalsContact O-N 3.1Å; A482-E485 PolarHBondContact O-N 3.12Å; A482-E486 WeakPolarHBondContact O-CB 3.39Å; A482-E486 PolarHBondContact O-N 3.23Å
483W96.2Very high94.6Very high50 Ų5083.7 Ų83.719%0.18941%0.407CS..Hα-helixtrans-65.8-43175.2-179.788.6000111.8A434 P435 L437 V440 L479 M480 D481 E485 E486 R487A434-W483 HydrophobicContact CB-CD2 4.17Å; A434-W483 HydrophobicContact CB-CZ2 4.03Å; P435-W483 PolarHBondContact O-NE1 3.38Å; L437-W483 HydrophobicContact CD1-CB 3.74Å; L437-W483 HydrophobicContact CD1-CG 3.77Å; V440-W483 HydrophobicContact CG1-CB 4.44Å; V440-W483 HydrophobicContact CG2-CB 4.45Å; L479-W483 VanDerWaalsContact O-CB 3.31Å; L479-W483 WeakPolarHBondContact O-CB 3.37Å; L479-W483 PolarHBondContact O-N 3.01Å; M480-W483 HydrophobicContact CE-CE3 4.48Å; M480-W483 PolarHBondContact O-N 3.08Å; D481-W483 VanDerWaalsContact C-N 3.28Å; D481-W483 PolarHBondContact O-N 3.31Å; W483-E485 VanDerWaalsContact C-N 3.32Å; W483-E485 PolarHBondContact O-N 2.9Å; W483-E486 PolarHBondContact O-N 3.09Å; W483-R487 HydrophobicContact CD2-CG 3.86Å; W483-R487 HydrophobicContact CE3-CG 3.97Å; W483-R487 HydrophobicContact CH2-CG 3.8Å; W483-R487 HydrophobicContact CZ2-CG 3.67Å; W483-R487 HydrophobicContact CZ3-CG 3.94Å; W483-R487 VanDerWaalsContact O-CG 3.28Å; W483-R487 WeakPolarHBondContact O-CG 3.49Å; W483-R487 PolarHBondContact O-N 3.01Å
484K95.6Very high94.5Very high107 Ų10780.3 Ų80.347%0.46540%0.4SS..Hα-helixtrans-59-44.7174.2-69.9167.8-163158.70110.9M480 D481 R487 V488M480-K484 VanDerWaalsContact O-CG 3.3Å; M480-K484 WeakPolarHBondContact O-CG 3.13Å; M480-K484 PolarHBondContact O-N 2.74Å; D481-K484 WeakPolarHBondContact O-CB 3.26Å; D481-K484 PolarHBondContact O-N 2.87Å; D481-K484 IonicContact OD1-NZ 3.41Å; D481-K484 PolarHBondContact OD1-NZ 3.38Å; K484-R487 WeakPolarHBondContact O-CB 3.29Å; K484-R487 PolarHBondContact O-N 3.26Å; K484-V488 WeakPolarHBondContact O-CG2 3.35Å; K484-V488 PolarHBondContact O-N 3.4Å
485E94.5Very high94.5Very high127 Ų12781.6 Ų81.659%0.59340%0.404SS*.Hα-helixtrans-61.6-47.6177.4-170.4178.6179.700111.7D481 A482 W483 R487 V488 I489D481-E485 PolarHBondContact O-N 2.98Å; A482-E485 PolarHBondContact O-N 3.12Å; W483-E485 VanDerWaalsContact C-N 3.32Å; W483-E485 PolarHBondContact O-N 2.9Å; E485-R487 VanDerWaalsContact C-N 3.28Å; E485-R487 PolarHBondContact O-N 2.91Å; E485-V488 PolarHBondContact O-N 3.49Å; E485-V488 VanDerWaalsContact O-N 3.15Å; E485-I489 HydrophobicContact CG-CD1 4.03Å; E485-I489 WeakPolarHBondContact O-CG1 3.38Å; E485-I489 PolarHBondContact O-N 3.28Å
486E92.8Very high94.5Very high52 Ų5283.7 Ų83.724%0.24342%0.415CS..Hα-helixtrans-62.6-35.7177.6-168.673.5-150.300111.7V440 K443 A482 W483 I489 A490V440-E486 HydrophobicContact CG2-CB 4.09Å; V440-E486 HydrophobicContact CG2-CG 4.21Å; K443-E486 IonicContact NZ-OE1 2.82Å; K443-E486 PolarHBondContact NZ-OE1 3.08Å; K443-E486 VanDerWaalsContact NZ-OE1 3.11Å; K443-E486 IonicContact NZ-OE2 2.66Å; K443-E486 PolarHBondContact NZ-OE2 3.1Å; A482-E486 WeakPolarHBondContact O-CB 3.39Å; A482-E486 PolarHBondContact O-N 3.23Å; W483-E486 PolarHBondContact O-N 3.09Å; E486-I489 PolarHBondContact O-N 3.29Å; E486-A490 WeakPolarHBondContact O-CB 3.45Å; E486-A490 PolarHBondContact O-N 2.87Å
487R92.9Very high94.5Very high84 Ų8486.7 Ų86.732%0.31742%0.424SS..Hα-helixtrans-61.8-48172.3-73.5-6688.2139.36.4111.7P435 W483 K484 E485 I489 A490 V491P435-R487 PolarHBondContact O-NH1 3.23Å; W483-R487 HydrophobicContact CD2-CG 3.86Å; W483-R487 HydrophobicContact CE3-CG 3.97Å; W483-R487 HydrophobicContact CH2-CG 3.8Å; W483-R487 HydrophobicContact CZ2-CG 3.67Å; W483-R487 HydrophobicContact CZ3-CG 3.94Å; W483-R487 VanDerWaalsContact O-CG 3.28Å; W483-R487 WeakPolarHBondContact O-CG 3.49Å; W483-R487 PolarHBondContact O-N 3.01Å; K484-R487 WeakPolarHBondContact O-CB 3.29Å; K484-R487 PolarHBondContact O-N 3.26Å; E485-R487 VanDerWaalsContact C-N 3.28Å; E485-R487 PolarHBondContact O-N 2.91Å; R487-I489 VanDerWaalsContact C-N 3.32Å; R487-I489 PolarHBondContact O-N 3.31Å; R487-A490 PolarHBondContact O-N 2.95Å; R487-V491 VanDerWaalsContact O-CG2 3.31Å; R487-V491 WeakPolarHBondContact O-CG2 3.34Å; R487-V491 PolarHBondContact O-N 3.46Å
488V93.9Very high94.4Very high104 Ų10489.4 Ų89.463%0.6343%0.43SS*.Hα-helixtrans-58.9-46177.2172.40000110.6K484 E485 V491 R492K484-V488 WeakPolarHBondContact O-CG2 3.35Å; K484-V488 PolarHBondContact O-N 3.4Å; E485-V488 PolarHBondContact O-N 3.49Å; E485-V488 VanDerWaalsContact O-N 3.15Å; V488-V491 PolarHBondContact O-N 2.84Å; V488-R492 WeakPolarHBondContact O-CB 3.28Å; V488-R492 PolarHBondContact O-N 2.97Å
489I92.9Very high94.4Very high58 Ų5887.6 Ų87.630%0.29743%0.426SS..Hα-helixtrans-62.5-44.3177.1-66.5168.2000111.1E485 E486 R487 R492 K493E485-I489 HydrophobicContact CG-CD1 4.03Å; E485-I489 WeakPolarHBondContact O-CG1 3.38Å; E485-I489 PolarHBondContact O-N 3.28Å; E486-I489 PolarHBondContact O-N 3.29Å; R487-I489 VanDerWaalsContact C-N 3.32Å; R487-I489 PolarHBondContact O-N 3.31Å; I489-R492 PolarHBondContact O-N 2.85Å; I489-K493 HydrophobicContact CG2-CD 3.87Å; I489-K493 HydrophobicContact CG2-CG 4.35Å; I489-K493 WeakPolarHBondContact O-CB 3.24Å; I489-K493 WeakPolarHBondContact O-CG 3.43Å; I489-K493 PolarHBondContact O-N 2.87Å
490A91.5Very high94.3Very high37 Ų3794.8 Ų94.831%0.30645%0.454SS..Hα-helixtrans-63.6-44.7-179.800000111.8E486 R487 K493 A494E486-A490 WeakPolarHBondContact O-CB 3.45Å; E486-A490 PolarHBondContact O-N 2.87Å; R487-A490 PolarHBondContact O-N 2.95Å; A490-K493 PolarHBondContact O-N 3.18Å; A490-A494 VanDerWaalsContact O-CB 3.28Å; A490-A494 WeakPolarHBondContact O-CB 3.21Å; A490-A494 PolarHBondContact O-N 2.77Å
491V92.9Very high94.3Very high102 Ų102100.6 Ų100.662%0.61847%0.473SS*.Hα-helixtrans-61.4-45.2175.61710000110.6R487 V488 A494 K495R487-V491 VanDerWaalsContact O-CG2 3.31Å; R487-V491 WeakPolarHBondContact O-CG2 3.34Å; R487-V491 PolarHBondContact O-N 3.46Å; V488-V491 PolarHBondContact O-N 2.84Å; V491-A494 PolarHBondContact O-N 2.91Å; V491-K495 WeakPolarHBondContact O-CB 3.25Å; V491-K495 PolarHBondContact O-N 2.91Å
492R94.7Very high94.2Very high172 Ų17298.3 Ų98.365%0.64947%0.467SS*.Hα-helixtrans-61-49.3176.7-176177.4176.6164.43.6111.9V488 I489 A494 K495 E496V488-R492 WeakPolarHBondContact O-CB 3.28Å; V488-R492 PolarHBondContact O-N 2.97Å; I489-R492 PolarHBondContact O-N 2.85Å; R492-A494 VanDerWaalsContact C-N 3.31Å; R492-A494 PolarHBondContact O-N 3.41Å; R492-K495 WeakPolarHBondContact O-CB 3.39Å; R492-K495 PolarHBondContact O-N 3.15Å; R492-E496 WeakPolarHBondContact CG-OE1 3.34Å; R492-E496 IonicContact NE-OE1 3.11Å; R492-E496 PolarHBondContact NE-OE1 3.15Å; R492-E496 WeakPolarHBondContact O-CG 3.19Å; R492-E496 PolarHBondContact O-N 2.83Å
493K94.6Very high94.2Very high107 Ų107102.8 Ų102.847%0.46549%0.487SS..Hα-helixtrans-61.3-37.4176.3-75176.6-179.4169.20111.9I489 A490 R497I489-K493 HydrophobicContact CG2-CD 3.87Å; I489-K493 HydrophobicContact CG2-CG 4.35Å; I489-K493 WeakPolarHBondContact O-CB 3.24Å; I489-K493 WeakPolarHBondContact O-CG 3.43Å; I489-K493 PolarHBondContact O-N 2.87Å; A490-K493 PolarHBondContact O-N 3.18Å; K493-R497 WeakPolarHBondContact O-CB 3.49Å; K493-R497 WeakPolarHBondContact O-CG 3.31Å; K493-R497 PolarHBondContact O-N 3.05Å
494A93.8Very high94.1Very high53 Ų53104.7 Ų104.744%0.43850%0.498SS..Hα-helixtrans-66.2-43.2175.900000111.7A490 V491 R492 R497 K498A490-A494 VanDerWaalsContact O-CB 3.28Å; A490-A494 WeakPolarHBondContact O-CB 3.21Å; A490-A494 PolarHBondContact O-N 2.77Å; V491-A494 PolarHBondContact O-N 2.91Å; R492-A494 VanDerWaalsContact C-N 3.31Å; R492-A494 PolarHBondContact O-N 3.41Å; A494-R497 PolarHBondContact O-N 3.09Å; A494-K498 WeakPolarHBondContact O-CB 3.3Å; A494-K498 PolarHBondContact O-N 3.16Å
495K94.2Very high94.1Very high152 Ų152104.2 Ų104.266%0.66150%0.5SS*.Hα-helixtrans-60.2-47.8173.6-174.2178.1179.6178.60111.2V491 R492 R497 K498 S499V491-K495 WeakPolarHBondContact O-CB 3.25Å; V491-K495 PolarHBondContact O-N 2.91Å; R492-K495 WeakPolarHBondContact O-CB 3.39Å; R492-K495 PolarHBondContact O-N 3.15Å; K495-R497 PolarHBondContact O-N 3.15Å; K495-K498 PolarHBondContact O-N 3.33Å; K495-S499 PolarHBondContact O-N 3.34Å; K495-S499 PolarHBondContact O-OG 2.89Å; K495-S499 VanDerWaalsContact O-OG 3.14Å
496E94.9Very high94.1Very high103 Ų103106 Ų10648%0.48150%0.502SS..Hα-helixtrans-61.6-42.8176.4-72.3170.3-169.600112.1R492 K498 S499 R500R492-E496 WeakPolarHBondContact CG-OE1 3.34Å; R492-E496 IonicContact NE-OE1 3.11Å; R492-E496 PolarHBondContact NE-OE1 3.15Å; R492-E496 WeakPolarHBondContact O-CG 3.19Å; R492-E496 PolarHBondContact O-N 2.83Å; E496-K498 PolarHBondContact O-N 2.82Å; E496-S499 PolarHBondContact O-N 3.29Å; E496-R500 VanDerWaalsContact O-CB 3.3Å; E496-R500 WeakPolarHBondContact O-CB 3.35Å; E496-R500 PolarHBondContact O-N 3.11Å
497R95Very high94.2Very high148 Ų148110.8 Ų110.856%0.55852%0.518SS*.Hα-helixtrans-60.7-43173.8-75.8169.4-178.6-175.30.7111.6K493 A494 K495 R501K493-R497 WeakPolarHBondContact O-CB 3.49Å; K493-R497 WeakPolarHBondContact O-CG 3.31Å; K493-R497 PolarHBondContact O-N 3.05Å; A494-R497 PolarHBondContact O-N 3.09Å; K495-R497 PolarHBondContact O-N 3.15Å; R497-R501 WeakPolarHBondContact O-CB 3.48Å; R497-R501 VanDerWaalsContact O-CG 3.28Å; R497-R501 WeakPolarHBondContact O-CG 3.46Å; R497-R501 PolarHBondContact O-N 2.94Å
498K94Very high94.1Very high164 Ų164115.6 Ų115.671%0.71354%0.536SS*.Hα-helixtrans-63.7-48.1176.8-172.5177.6-179.9178.80111A494 K495 E496 R500 R501 A502A494-K498 WeakPolarHBondContact O-CB 3.3Å; A494-K498 PolarHBondContact O-N 3.16Å; K495-K498 PolarHBondContact O-N 3.33Å; E496-K498 PolarHBondContact O-N 2.82Å; K498-R500 PolarHBondContact O-N 3.46Å; K498-R501 PolarHBondContact O-N 3.33Å; K498-A502 WeakPolarHBondContact O-CB 3.45Å; K498-A502 PolarHBondContact O-N 3.46Å
499S94Very high94.1Very high62 Ų62116 Ų11643%0.43453%0.529SS..Hα-helixtrans-61.1-43.9176.5-62.10000112.2K495 E496 R501 A502 L503K495-S499 PolarHBondContact O-N 3.34Å; K495-S499 PolarHBondContact O-OG 2.89Å; K495-S499 VanDerWaalsContact O-OG 3.14Å; E496-S499 PolarHBondContact O-N 3.29Å; S499-R501 PolarHBondContact O-N 3.22Å; S499-A502 PolarHBondContact O-N 3.37Å; S499-L503 WeakPolarHBondContact O-CG 3.35Å; S499-L503 PolarHBondContact O-N 3.33Å
500R95.2Very high94.2Very high151 Ų151116.6 Ų116.657%0.5754%0.535SS*.Hα-helixtrans-62.2-43176.3-175.1176.865.8163.61112E496 K498 L503 Q504E496-R500 VanDerWaalsContact O-CB 3.3Å; E496-R500 WeakPolarHBondContact O-CB 3.35Å; E496-R500 PolarHBondContact O-N 3.11Å; K498-R500 PolarHBondContact O-N 3.46Å; R500-L503 PolarHBondContact O-N 2.94Å; R500-Q504 WeakPolarHBondContact O-CB 3.46Å; R500-Q504 WeakPolarHBondContact O-CG 3.37Å; R500-Q504 PolarHBondContact O-N 2.99Å
501R95.2Very high94.2Very high165 Ų165122.3 Ų122.362%0.62355%0.549SS*.Hα-helixtrans-62.3-44.1174.6-75.7175.2-177.5175.21.1111.2R497 K498 S499 Q504 N505R497-R501 WeakPolarHBondContact O-CB 3.48Å; R497-R501 VanDerWaalsContact O-CG 3.28Å; R497-R501 WeakPolarHBondContact O-CG 3.46Å; R497-R501 PolarHBondContact O-N 2.94Å; K498-R501 PolarHBondContact O-N 3.33Å; S499-R501 PolarHBondContact O-N 3.22Å; R501-Q504 PolarHBondContact O-N 2.93Å; R501-N505 WeakPolarHBondContact O-CB 3.49Å; R501-N505 VanDerWaalsContact O-CG 3.23Å; R501-N505 PolarHBondContact O-N 2.82Å
502A94.3Very high94.3Very high43 Ų43119.3 Ų119.336%0.35554%0.539SS..Hα-helixtrans-59.6-48.3176.300000111.5K498 S499 Q504 N505 W506K498-A502 WeakPolarHBondContact O-CB 3.45Å; K498-A502 PolarHBondContact O-N 3.46Å; S499-A502 PolarHBondContact O-N 3.37Å; A502-Q504 PolarHBondContact O-N 2.94Å; A502-N505 PolarHBondContact O-N 3.4Å; A502-W506 WeakPolarHBondContact O-CB 3.41Å; A502-W506 PolarHBondContact O-N 3.08Å
503L94.5Very high94.2Very high118 Ų118115.3 Ų115.362%0.61853%0.53SS*.Hα-helixtrans-62.5-39.9177.1-71.6172.4000112.8S499 R500 W506 R507S499-L503 WeakPolarHBondContact O-CG 3.35Å; S499-L503 PolarHBondContact O-N 3.33Å; R500-L503 PolarHBondContact O-N 2.94Å; L503-W506 PolarHBondContact O-N 3.03Å; L503-R507 WeakPolarHBondContact O-CB 3.19Å; L503-R507 PolarHBondContact O-N 3.01Å
504Q94.9Very high94.1Very high89 Ų89115.6 Ų115.642%0.41654%0.536SS..Hα-helixtrans-64.1-41.4174.5-75.7176.7-6.400111.9R500 R501 A502 R507 R508R500-Q504 WeakPolarHBondContact O-CB 3.46Å; R500-Q504 WeakPolarHBondContact O-CG 3.37Å; R500-Q504 PolarHBondContact O-N 2.99Å; R501-Q504 PolarHBondContact O-N 2.93Å; A502-Q504 PolarHBondContact O-N 2.94Å; Q504-R507 PolarHBondContact O-N 3.4Å; Q504-R508 WeakPolarHBondContact O-CG 3.39Å; Q504-R508 PolarHBondContact O-N 3.27Å
505N94.5Very high93.9Very high98 Ų98117.9 Ų117.952%0.52454%0.539SS..Hα-helixtrans-65.6-44.5175.8-71.5-7.2000111.5R501 A502 R507 R508 F509R501-N505 WeakPolarHBondContact O-CB 3.49Å; R501-N505 VanDerWaalsContact O-CG 3.23Å; R501-N505 PolarHBondContact O-N 2.82Å; A502-N505 PolarHBondContact O-N 3.4Å; N505-R507 VanDerWaalsContact C-N 3.34Å; N505-R507 PolarHBondContact O-N 3.27Å; N505-R508 PolarHBondContact O-N 3.24Å; N505-F509 WeakPolarHBondContact O-CB 3.5Å; N505-F509 PolarHBondContact O-N 2.98Å
506W94.9Very high93.7Very high164 Ų164117.8 Ų117.862%0.62154%0.539SS*.Hα-helixtrans-59.8-42.9173.7-84.9111.2000112.1A502 L503 R508 F509 V510A502-W506 WeakPolarHBondContact O-CB 3.41Å; A502-W506 PolarHBondContact O-N 3.08Å; L503-W506 PolarHBondContact O-N 3.03Å; W506-R508 VanDerWaalsContact C-N 3.34Å; W506-R508 PolarHBondContact O-N 2.8Å; W506-F509 HydrophobicContact CE3-CD1 4Å; W506-F509 AromaticContact CZ3-CD1 3.91Å; W506-F509 HydrophobicContact CZ3-CD1 3.91Å; W506-F509 HydrophobicContact CZ3-CE1 4.14Å; W506-F509 PolarHBondContact O-N 3.16Å; W506-V510 WeakPolarHBondContact O-CG2 3.3Å; W506-V510 PolarHBondContact O-N 3.5Å
507R94.6Very high93.4Very high153 Ų153115.7 Ų115.758%0.57754%0.536SS*.Hα-helixtrans-61.4-41.8175.4-171.5-175.5-64.7170.4-2.2111.8L503 Q504 N505 R511L503-R507 WeakPolarHBondContact O-CB 3.19Å; L503-R507 PolarHBondContact O-N 3.01Å; Q504-R507 PolarHBondContact O-N 3.4Å; N505-R507 VanDerWaalsContact C-N 3.34Å; N505-R507 PolarHBondContact O-N 3.27Å; R507-R511 WeakPolarHBondContact O-CB 3.5Å; R507-R511 VanDerWaalsContact O-CG 3.3Å; R507-R511 WeakPolarHBondContact O-CG 3.14Å; R507-R511 PolarHBondContact O-N 2.89Å
508R92.4Very high92.9Very high184 Ų184112 Ų11269%0.69453%0.533SS*.Hα-helixtrans-64.5-43.9174.8-74176.6-180-178.3-1111.4Q504 N505 W506 R511 G512Q504-R508 WeakPolarHBondContact O-CG 3.39Å; Q504-R508 PolarHBondContact O-N 3.27Å; N505-R508 PolarHBondContact O-N 3.24Å; W506-R508 VanDerWaalsContact C-N 3.34Å; W506-R508 PolarHBondContact O-N 2.8Å; R508-R511 PolarHBondContact O-N 3.02Å; R508-G512 PolarHBondContact O-N 2.66Å
509F93.2Very high92.5Very high114 Ų114108.3 Ų108.350%0.552%0.52SS..Hα-helixtrans-61.5-51.5178.3179.9-107.3000112.1N505 W506 R511 G512 L513N505-F509 WeakPolarHBondContact O-CB 3.5Å; N505-F509 PolarHBondContact O-N 2.98Å; W506-F509 HydrophobicContact CE3-CD1 4Å; W506-F509 AromaticContact CZ3-CD1 3.91Å; W506-F509 HydrophobicContact CZ3-CD1 3.91Å; W506-F509 HydrophobicContact CZ3-CE1 4.14Å; W506-F509 PolarHBondContact O-N 3.16Å; F509-R511 PolarHBondContact O-N 3.46Å; F509-G512 PolarHBondContact O-N 3.24Å; F509-G512 VanDerWaalsContact O-N 3.13Å; F509-L513 HydrophobicContact CD1-CD1 4.01Å; F509-L513 HydrophobicContact CE1-CD1 3.44Å; F509-L513 VanDerWaalsContact CE1-CD1 3.44Å; F509-L513 HydrophobicContact CE1-CG 4.25Å; F509-L513 HydrophobicContact CE2-CD1 4.42Å; F509-L513 HydrophobicContact CE2-CG 4.47Å; F509-L513 HydrophobicContact CZ-CD1 3.68Å; F509-L513 HydrophobicContact CZ-CD2 4.45Å; F509-L513 HydrophobicContact CZ-CG 4.18Å; F509-L513 PolarHBondContact O-N 3.17Å
510V94.5Very high92Very high69 Ų69107.5 Ų107.542%0.41852%0.517SS..Hα-helixtrans-62.5-43178.4173.80000111.2W506 G512 L513 L514W506-V510 WeakPolarHBondContact O-CG2 3.3Å; W506-V510 PolarHBondContact O-N 3.5Å; V510-G512 VanDerWaalsContact C-N 3.32Å; V510-G512 PolarHBondContact O-N 3.07Å; V510-L513 PolarHBondContact O-N 3.22Å; V510-L514 HydrophobicContact CG1-CD1 4.03Å; V510-L514 HydrophobicContact CG1-CG 4.35Å; V510-L514 WeakPolarHBondContact O-CG 3.42Å; V510-L514 PolarHBondContact O-N 2.81Å
511R92.5Very high91.4Very high157 Ų157107.6 Ų107.659%0.59252%0.522SS*.Hα-helixtrans-59.6-42.7173.2-78.3179.9-178.6178.5-2.1111.9R507 R508 F509 L514 I515R507-R511 WeakPolarHBondContact O-CB 3.5Å; R507-R511 VanDerWaalsContact O-CG 3.3Å; R507-R511 WeakPolarHBondContact O-CG 3.14Å; R507-R511 PolarHBondContact O-N 2.89Å; R508-R511 PolarHBondContact O-N 3.02Å; F509-R511 PolarHBondContact O-N 3.46Å; R511-L514 PolarHBondContact O-N 3.11Å; R511-I515 WeakPolarHBondContact O-CB 3.37Å; R511-I515 WeakPolarHBondContact O-CD1 3.28Å; R511-I515 WeakPolarHBondContact O-CG1 3.34Å; R511-I515 PolarHBondContact O-N 3.06Å
512G93.6Very high90.5Very high39 Ų39103.1 Ų103.140%0.40251%0.513SS..Hα-helixtrans-60.3-42.9175.500000112.8R508 F509 V510 K516R508-G512 PolarHBondContact O-N 2.66Å; F509-G512 PolarHBondContact O-N 3.24Å; F509-G512 VanDerWaalsContact O-N 3.13Å; V510-G512 VanDerWaalsContact C-N 3.32Å; V510-G512 PolarHBondContact O-N 3.07Å; G512-K516 WeakPolarHBondContact O-CB 3.21Å; G512-K516 PolarHBondContact O-N 3.34Å
513L93.3Very high89.5Confident88 Ų88106.7 Ų106.746%0.46152%0.521SS..Hα-helixtrans-65.8-42.5175.5-71.1179.5000112.6F509 V510 K516 S517F509-L513 HydrophobicContact CD1-CD1 4.01Å; F509-L513 HydrophobicContact CE1-CD1 3.44Å; F509-L513 VanDerWaalsContact CE1-CD1 3.44Å; F509-L513 HydrophobicContact CE1-CG 4.25Å; F509-L513 HydrophobicContact CE2-CD1 4.42Å; F509-L513 HydrophobicContact CE2-CG 4.47Å; F509-L513 HydrophobicContact CZ-CD1 3.68Å; F509-L513 HydrophobicContact CZ-CD2 4.45Å; F509-L513 HydrophobicContact CZ-CG 4.18Å; F509-L513 PolarHBondContact O-N 3.17Å; V510-L513 PolarHBondContact O-N 3.22Å; L513-K516 PolarHBondContact O-N 2.83Å; L513-S517 WeakPolarHBondContact O-CB 3.48Å; L513-S517 PolarHBondContact O-N 3.23Å
514L92.8Very high87.9Confident114 Ų114106.2 Ų106.260%0.59752%0.518SS*.Hα-helixtrans-64.2-42.9177-71.5173.2000111.5V510 R511 S517 S518V510-L514 HydrophobicContact CG1-CD1 4.03Å; V510-L514 HydrophobicContact CG1-CG 4.35Å; V510-L514 WeakPolarHBondContact O-CG 3.42Å; V510-L514 PolarHBondContact O-N 2.81Å; R511-L514 PolarHBondContact O-N 3.11Å; L514-S517 PolarHBondContact O-N 3.37Å; L514-S518 WeakPolarHBondContact O-CB 3.21Å; L514-S518 PolarHBondContact O-N 3.24Å
515I89Confident86Confident100 Ų100105 Ų10551%0.51352%0.523SS..Hα-helixtrans-61.9-47.5174.4-68.5164.7000109.8R511 S517 S518 L519R511-I515 WeakPolarHBondContact O-CB 3.37Å; R511-I515 WeakPolarHBondContact O-CD1 3.28Å; R511-I515 WeakPolarHBondContact O-CG1 3.34Å; R511-I515 PolarHBondContact O-N 3.06Å; I515-S517 VanDerWaalsContact C-N 3.33Å; I515-S517 PolarHBondContact O-N 2.98Å; I515-S518 PolarHBondContact O-N 2.66Å; I515-L519 HydrophobicContact CG2-CD1 3.72Å; I515-L519 HydrophobicContact CG2-CG 4.22Å; I515-L519 WeakPolarHBondContact O-CB 3.27Å; I515-L519 VanDerWaalsContact O-CG 3.27Å; I515-L519 WeakPolarHBondContact O-CG 3.46Å; I515-L519 PolarHBondContact O-N 3.1Å
516K89.9Confident84Confident151 Ų151106.9 Ų106.966%0.65753%0.527SS*.Hα-helixtrans-60-41.6177.6-171.5178.5179.6-178.50112.2G512 L513 A520G512-K516 WeakPolarHBondContact O-CB 3.21Å; G512-K516 PolarHBondContact O-N 3.34Å; L513-K516 PolarHBondContact O-N 2.83Å; K516-A520 VanDerWaalsContact O-CB 3.3Å; K516-A520 WeakPolarHBondContact O-CB 3.47Å; K516-A520 PolarHBondContact O-N 3.27Å
517S88.7Confident82Confident59 Ų59105.1 Ų105.141%0.41353%0.526SS..Hα-helixtrans-65-42.9175.9-177.60000112L513 L514 I515 A520 K521L513-S517 WeakPolarHBondContact O-CB 3.48Å; L513-S517 PolarHBondContact O-N 3.23Å; L514-S517 PolarHBondContact O-N 3.37Å; I515-S517 VanDerWaalsContact C-N 3.33Å; I515-S517 PolarHBondContact O-N 2.98Å; S517-A520 PolarHBondContact O-N 2.93Å; S517-K521 WeakPolarHBondContact O-CG 3.45Å; S517-K521 PolarHBondContact O-N 3.36Å
518S85.2Confident79.9Confident70 Ų70106.2 Ų106.249%0.4954%0.537SS..Hα-helixtrans-64.1-46.8176.4-168.40000111.6L514 I515 K521 T522L514-S518 WeakPolarHBondContact O-CB 3.21Å; L514-S518 PolarHBondContact O-N 3.24Å; I515-S518 PolarHBondContact O-N 2.66Å; S518-K521 PolarHBondContact O-N 3.43Å; S518-T522 PolarHBondContact O-N 2.93Å; S518-T522 PolarHBondContact O-OG1 3.41Å
519L84.9Confident78Confident87 Ų87103.2 Ų103.246%0.45554%0.539SS..Hα-helixtrans-62.1-44.9177.3-65.9169.4000110.6I515 K521 T522 F523I515-L519 HydrophobicContact CG2-CD1 3.72Å; I515-L519 HydrophobicContact CG2-CG 4.22Å; I515-L519 WeakPolarHBondContact O-CB 3.27Å; I515-L519 VanDerWaalsContact O-CG 3.27Å; I515-L519 WeakPolarHBondContact O-CG 3.46Å; I515-L519 PolarHBondContact O-N 3.1Å; L519-K521 VanDerWaalsContact C-N 3.3Å; L519-K521 PolarHBondContact O-N 2.93Å; L519-T522 PolarHBondContact O-N 3Å; L519-T522 VanDerWaalsContact O-N 3.12Å; L519-F523 HydrophobicContact CB-CD2 4.06Å; L519-F523 HydrophobicContact CB-CE2 4.21Å; L519-F523 HydrophobicContact CD2-CD2 4.39Å; L519-F523 HydrophobicContact CD2-CE2 3.71Å; L519-F523 WeakPolarHBondContact O-CB 3.27Å; L519-F523 WeakPolarHBondContact O-CD2 3.16Å; L519-F523 PolarHBondContact O-N 2.86Å
520A84Confident75.9Confident44 Ų44103.3 Ų103.336%0.36455%0.548SS..Hα-helixtrans-56.2-44.4175.800000111.6K516 S517 L524K516-A520 VanDerWaalsContact O-CB 3.3Å; K516-A520 WeakPolarHBondContact O-CB 3.47Å; K516-A520 PolarHBondContact O-N 3.27Å; S517-A520 PolarHBondContact O-N 2.93Å; A520-L524 HydrophobicContact CB-CD1 4.33Å; A520-L524 WeakPolarHBondContact O-CB 3.44Å; A520-L524 WeakPolarHBondContact O-CD1 3.43Å; A520-L524 VanDerWaalsContact O-CG 3.29Å; A520-L524 WeakPolarHBondContact O-CG 3.41Å; A520-L524 PolarHBondContact O-N 3.42Å
521K81.9Confident73.4Confident153 Ų153108.7 Ų108.767%0.66557%0.569SS**Hα-helixtrans-64-40.2175.5-71.2179.8-178.3-173.40113.1S517 S518 L519 A525S517-K521 WeakPolarHBondContact O-CG 3.45Å; S517-K521 PolarHBondContact O-N 3.36Å; S518-K521 PolarHBondContact O-N 3.43Å; L519-K521 VanDerWaalsContact C-N 3.3Å; L519-K521 PolarHBondContact O-N 2.93Å; K521-A525 WeakPolarHBondContact O-CB 3.43Å; K521-A525 PolarHBondContact O-N 2.93Å
522T76.9Confident71Confident72 Ų72109.8 Ų109.844%0.44258%0.581SS.*Hα-helixtrans-75.6-32.6-177.9-46.20000112.9S518 L519S518-T522 PolarHBondContact O-N 2.93Å; S518-T522 PolarHBondContact O-OG1 3.41Å; L519-T522 PolarHBondContact O-N 3Å; L519-T522 VanDerWaalsContact O-N 3.12Å
523F73.4Confident68.7Low117 Ų117117 Ų11751%0.51360%0.604SS.*Hα-helixtrans-88.8-36.5179.8-71-71.4000112.8L519 A525 K526 E527L519-F523 HydrophobicContact CB-CD2 4.06Å; L519-F523 HydrophobicContact CB-CE2 4.21Å; L519-F523 HydrophobicContact CD2-CD2 4.39Å; L519-F523 HydrophobicContact CD2-CE2 3.71Å; L519-F523 WeakPolarHBondContact O-CB 3.27Å; L519-F523 WeakPolarHBondContact O-CD2 3.16Å; L519-F523 PolarHBondContact O-N 2.86Å; F523-A525 VanDerWaalsContact C-N 3.28Å; F523-A525 PolarHBondContact O-N 2.95Å; F523-K526 CarbonylContact O-C 3.52Å; F523-K526 WeakPolarHBondContact O-CA 3.14Å; F523-K526 PolarHBondContact O-N 2.56Å; F523-E527 PolarHBondContact O-N 3.48Å
524L60.5Low66.3Low108 Ų108116.9 Ų116.957%0.56562%0.616SS**Hα-helixtrans-63.7-35.7170.6-74.7159.8000111.3A520 K526 E527 E528A520-L524 HydrophobicContact CB-CD1 4.33Å; A520-L524 WeakPolarHBondContact O-CB 3.44Å; A520-L524 WeakPolarHBondContact O-CD1 3.43Å; A520-L524 VanDerWaalsContact O-CG 3.29Å; A520-L524 WeakPolarHBondContact O-CG 3.41Å; A520-L524 PolarHBondContact O-N 3.42Å; L524-K526 PolarHBondContact O-N 2.92Å; L524-E527 PolarHBondContact O-N 2.91Å; L524-E528 PolarHBondContact O-N 3.03Å
525A54.9Low64Low63 Ų63117 Ų11752%0.52163%0.627SS.*Hα-helixtrans-71.4-11.4172.900000114.1K521 F523K521-A525 WeakPolarHBondContact O-CB 3.43Å; K521-A525 PolarHBondContact O-N 2.93Å; F523-A525 VanDerWaalsContact C-N 3.28Å; F523-A525 PolarHBondContact O-N 2.95Å
526K53.2Low61.6Low138 Ų138118.3 Ų118.360%0.664%0.642SS**Hα-helixtrans-99.7-25.2173-86.4-175.7172.8-174.60112.8F523 L524 E528 V529F523-K526 CarbonylContact O-C 3.52Å; F523-K526 WeakPolarHBondContact O-CA 3.14Å; F523-K526 PolarHBondContact O-N 2.56Å; L524-K526 PolarHBondContact O-N 2.92Å; K526-E528 VanDerWaalsContact C-N 3.32Å; K526-V529 PolarHBondContact O-N 3.18Å
527E52.4Low59.4Low128 Ų128116.2 Ų116.260%0.59865%0.646SS**Hα-helixtrans-69.3-30.2173.6-78.1175.8164.300111.6F523 L524 V529 V530F523-E527 PolarHBondContact O-N 3.48Å; L524-E527 PolarHBondContact O-N 2.91Å; E527-V529 PolarHBondContact O-N 3.38Å; E527-V529 VanDerWaalsContact O-N 3.1Å; E527-V530 PolarHBondContact O-N 3.09Å
528E50.2Low57.2Low176 Ų176119.5 Ų119.582%0.82266%0.663SS**THydrogen-bonded Turntrans-68.8-4.4172.5-74.1-172.5170.600114.7L524 K526L524-E528 PolarHBondContact O-N 3.03Å; K526-E528 VanDerWaalsContact C-N 3.32Å
529V52.4Low55Low121 Ų121121.5 Ų121.573%0.73368%0.677SS**THydrogen-bonded Turntrans-114.2-1.2180-172.20000112.7K526 E527K526-V529 PolarHBondContact O-N 3.18Å; E527-V529 PolarHBondContact O-N 3.38Å; E527-V529 VanDerWaalsContact O-N 3.1Å
530V49.5Very low52.7Low115 Ų115123 Ų12370%0.69770%0.695SS**  trans-135.858.4-179.7-164.60000110.2E527E527-V530 PolarHBondContact O-N 3.09Å
531E41.4Very low50.7Low182 Ų182127.5 Ų127.585%0.8572%0.719SS**  trans-106.570.2160.2-75.5-168.1164.300109.1
532E43.4Very low48.7Very low180 Ų180128.9 Ų128.984%0.84173%0.728SS**  trans-159.3127155.3-111.9172-16600108.7
533E45.7Very low47.1Very low190 Ų190131.2 Ų131.289%0.88874%0.744SS**  trans92.994.3172.2-51.6-154.8160.100120.1
534A42.7Very low45.4Very low87 Ų87133.7 Ų133.772%0.71976%0.762SS**  88.2103.4118.800000121.5
535S44.9Very low44.6Very low116 Ų116133.2 Ų133.281%0.81177%0.773SS**  85.7137.8128.5-44.70000120.9
536P37.2Very low43.9Very low128 Ų128141.6 Ų141.683%0.83179%0.791SS**  trans-102.3144.1-166.238.2-29.5000114
537S44.9Very low43.5Very low106 Ų106140.6 Ų140.674%0.74180%0.799SS**  trans-156.7120.6159.6570000114.6
538T41.1Very low42.9Very low128 Ų128144 Ų14479%0.78582%0.815SS**  trans69.698.1139.251.20000122.1
539S39.3Very low42.4Very low112 Ų112141.1 Ų141.178%0.78381%0.812SS**  20.9124.8127.467.10000121.4
540S37.1Very low41.6Very low119 Ų119146.1 Ų146.183%0.83282%0.818SS**  -157.2111.4125.573.10000110.9
541T40.9Very low40.9Very low139 Ų139147.6 Ų147.685%0.85382%0.818SS**  trans-89.8122172.5-520000108.9
542Q41.7Very low40.7Very low182 Ų182145.3 Ų145.385%0.8581%0.811SS**  trans-113.9131.2160-83.9-169.6-18.100108.9
543P42.2Very low40.1Very low121 Ų121145.2 Ų145.279%0.78681%0.808SS**PPolyproline II helixtrans-81.9135.3-179.431.3-30000111.2A545P543-A545 PolarHBondContact O-N 3.32Å
544L38.7Very low39.7Very low169 Ų169142 Ų14289%0.88580%0.802SS**PPolyproline II helixtrans-61.4116170.8-84.7118.3000110.8
545A43.1Very low39.3Very low97 Ų97146.9 Ų146.980%0.80281%0.807SS**PPolyproline II helixtrans-70.9128.316800000110.7P543P543-A545 PolarHBondContact O-N 3.32Å
546W39.9Very low38.9Very low240 Ų240150.3 Ų150.391%0.90981%0.81SS**PPolyproline II helixtrans-68141.9171.1-83.159.2000111.1Q548W546-Q548 PolarHBondContact O-N 3.13Å
547P44.6Very low38.7Very low117 Ų117146.6 Ų146.676%0.7680%0.795SS**PPolyproline II helixtrans-77.1123.1168.716.7-5.8000110.2C549P547-C549 PolarHBondContact O-N 3.31Å
548Q40.7Very low38.5Very low200 Ų200146.9 Ų146.994%0.93580%0.797SS**  trans-59.6114.9169.8-80.8170.6-35.600110.6W546 R550W546-Q548 PolarHBondContact O-N 3.13Å; Q548-R550 PolarHBondContact O-N 3.24Å; Q548-R550 VanDerWaalsContact O-N 3.16Å
549C38.4Very low38.2Very low114 Ų114149 Ų14977%0.7780%0.803SS**  trans-65.8104.8162.8-92.90000109.6P547 Q551P547-C549 PolarHBondContact O-N 3.31Å; C549-Q551 PolarHBondContact O-N 3.01Å
550R36.6Very low38.5Very low226 Ų226148.4 Ų148.485%0.85380%0.799SS**  trans-69.3107.1150.8-94.4-172.4-171.7-174.53.2107.5Q548Q548-R550 PolarHBondContact O-N 3.24Å; Q548-R550 VanDerWaalsContact O-N 3.16Å
551Q35.2Very low38.5Very low147 Ų147154.1 Ų154.169%0.68782%0.82SS**  trans-89.297.3161.4-73.4-179.1-3.900107.5C549 F553C549-Q551 PolarHBondContact O-N 3.01Å; Q551-F553 HydrophobicContact CB-CD2 4.42Å; Q551-F553 PolarHBondContact O-N 3.15Å
552D35.7Very low38.4Very low134 Ų134154.9 Ų154.972%0.71782%0.818SS**  trans-73.398.7160.1-70-36.2000106.9T554D552-T554 PolarHBondContact O-N 3.22Å
553F32.6Very low38.2Very low178 Ų178153.4 Ų153.478%0.78182%0.816SS**  trans-78.197.1169.4-111.4-90.9000108.3Q551Q551-F553 HydrophobicContact CB-CD2 4.42Å; Q551-F553 PolarHBondContact O-N 3.15Å
554T37Very low38Very low121 Ų121155.2 Ų155.274%0.74282%0.818SS**  trans-88.7109.5161.947.70000108.5D552 E556D552-T554 PolarHBondContact O-N 3.22Å; T554-E556 PolarHBondContact O-N 3.1Å
555F33.9Very low38Very low190 Ų190154.4 Ų154.483%0.83381%0.814SS**  trans-73.898.9171.5-174.4-95.7000108.8G557F555-G557 PolarHBondContact O-N 3.3Å
556E35.3Very low37.7Very low188 Ų188158 Ų15888%0.87982%0.815SS**  trans-78.495.6161.4-76.4-174.2164.800107.7T554 S558T554-E556 PolarHBondContact O-N 3.1Å; E556-S558 PolarHBondContact O-N 3.21Å
557G34.6Very low37.5Very low50 Ų50152.5 Ų152.552%0.51581%0.809SS.*  trans-75.2110.9166.700000109.2F555 L559F555-G557 PolarHBondContact O-N 3.3Å; G557-L559 PolarHBondContact O-N 3.48Å
558S40.3Very low37Very low112 Ų112155.1 Ų155.178%0.78381%0.812SS**  trans-67.7114.8164.159.40000109.3E556E556-S558 PolarHBondContact O-N 3.21Å
559L35.3Very low36.7Very low174 Ų174151.6 Ų151.691%0.91180%0.803SS**  trans-81.7116.4155.5-87.8149.1000107.2G557G557-L559 PolarHBondContact O-N 3.48Å
560S44.7Very low36.6Very low99 Ų99154.8 Ų154.869%0.69281%0.805SS**  trans-109.2122.9158.550.20000106.9
561D37.7Very low36.6Very low238 Ų238148.3 Ų148.3100%1.27380%0.801SS**  trans58.90172.5-58-21.6000119.9

Retrieved 561 of 561 residues in 130.8 ms (Link to these results)

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