A0A087YE47_POEFO Loading...

Inositol polyphosphate 1-phosphatase

Mg(2+)-dependent phosphatase that catalyzes the hydrolysis of the 1-position phosphate from inositol 1,4-bisphosphate and inositol 1,3,4-trisphosphate and participates in inositol phosphate metabolism.

AlphaFold DB , UniProt , Accession A0A087YE47, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 378 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
1M72.6Confident90.5Very high38 Ų3828.7 Ų28.719%0.18713%0.132CC..  0-34.60-82.1-86.8-77.500113.4D3 L4 L5 V141 L143 L148 M198M1-D3 PolarHBondContact O-N 2.66Å; M1-L4 PolarHBondContact O-N 2.74Å; M1-L4 HydrophobicContact SD-CD2 4.07Å; M1-L5 PolarHBondContact O-N 2.88Å; M1-L5 VanDerWaalsContact O-N 3.08Å; M1-V141 HydrophobicContact CB-CB 3.53Å; M1-V141 HydrophobicContact CB-CG2 3.9Å; M1-V141 HydrophobicContact CE-CB 3.81Å; M1-V141 HydrophobicContact CE-CG1 3.61Å; M1-V141 HydrophobicContact CE-CG2 4.34Å; M1-V141 HydrophobicContact CG-CB 3.9Å; M1-V141 WeakPolarHBondContact CG-O 3.26Å; M1-L143 HydrophobicContact CE-CB 3.92Å; M1-L143 HydrophobicContact CE-CD1 3.92Å; M1-L143 HydrophobicContact CE-CG 4.38Å; M1-L143 HydrophobicContact CG-CB 4.23Å; M1-L143 VanDerWaalsContact CG-O 3.25Å; M1-L143 WeakPolarHBondContact CG-O 3.3Å; M1-L143 HydrophobicContact SD-CB 4.14Å; M1-L148 HydrophobicContact CE-CD1 4.26Å; M1-L148 HydrophobicContact SD-CD1 3.59Å; M1-L148 VanDerWaalsContact SD-CD1 3.59Å; M1-M198 HydrophobicContact CE-CE 3.61Å; M1-M198 HydrophobicContact SD-CE 4.2Å
2A80.6Confident91Very high11 Ų1126.4 Ų26.49%0.09112%0.121CC..Hα-helixtrans-51.2-39.1168.200000111.9L4 L5 R6 L139A2-L4 PolarHBondContact O-N 2.89Å; A2-L5 PolarHBondContact O-N 2.98Å; A2-R6 WeakPolarHBondContact O-CB 3.2Å; A2-R6 VanDerWaalsContact O-CG 3.28Å; A2-R6 WeakPolarHBondContact O-CG 3.25Å; A2-R6 PolarHBondContact O-N 3.47Å; A2-L139 HydrophobicContact CB-CB 4.4Å; A2-L139 WeakPolarHBondContact CB-O 3.24Å
3D88.6Confident91.4Very high92 Ų9226.8 Ų26.849%0.49212%0.124SC..Hα-helixtrans-66.1-36.5178.3-50.5-40.1000113.2M1 R6 L7 F69M1-D3 PolarHBondContact O-N 2.66Å; D3-R6 PolarHBondContact O-N 3.07Å; D3-R6 IonicContact OD1-NH1 3.79Å; D3-R6 PolarHBondContact OD1-NH1 3.01Å; D3-L7 WeakPolarHBondContact O-CB 3.4Å; D3-L7 PolarHBondContact O-N 2.76Å; D3-F69 HydrophobicContact CB-CZ 4.23Å
4L92.4Very high91.7Very high2 Ų225.4 Ų25.41%0.0112%0.117CC..Hα-helixtrans-64.1-48.5173.117960.9000110.1M1 A2 R6 L7 L8 F69 L72 L148 M198M1-L4 PolarHBondContact O-N 2.74Å; M1-L4 HydrophobicContact SD-CD2 4.07Å; A2-L4 PolarHBondContact O-N 2.89Å; L4-R6 PolarHBondContact O-N 2.96Å; L4-L7 WeakPolarHBondContact O-CB 3.48Å; L4-L7 PolarHBondContact O-N 3.35Å; L4-L8 HydrophobicContact CD1-CD1 4.45Å; L4-L8 HydrophobicContact CD1-CD2 4.23Å; L4-L8 HydrophobicContact CD1-CG 4.09Å; L4-L8 HydrophobicContact CG-CD1 4.3Å; L4-L8 HydrophobicContact CG-CG 4.29Å; L4-L8 VanDerWaalsContact O-CG 3.29Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 2.76Å; L4-F69 HydrophobicContact CB-CE2 4.14Å; L4-F69 HydrophobicContact CB-CZ 3.99Å; L4-F69 HydrophobicContact CD1-CD2 3.82Å; L4-F69 HydrophobicContact CD1-CE2 3.83Å; L4-F69 HydrophobicContact CD1-CG 4.43Å; L4-F69 HydrophobicContact CD1-CZ 4.45Å; L4-L72 HydrophobicContact CD1-CD1 4.08Å; L4-L72 HydrophobicContact CD2-CD1 4.48Å; L4-L148 HydrophobicContact CD2-CD1 3.72Å; L4-M198 HydrophobicContact CG-SD 4.41Å
5L92.5Very high92Very high0 Ų023.7 Ų23.70%011%0.109CC..Hα-helixtrans-59.6-44.6177.6177.460.4000112.1M1 A2 L7 L8 L9 T136 L139 M198 V200 W221 V223M1-L5 PolarHBondContact O-N 2.88Å; M1-L5 VanDerWaalsContact O-N 3.08Å; A2-L5 PolarHBondContact O-N 2.98Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 3.45Å; L5-L8 PolarHBondContact O-N 3.49Å; L5-L9 HydrophobicContact CD1-CD1 4.27Å; L5-L9 HydrophobicContact CD1-CG 4.29Å; L5-L9 HydrophobicContact CG-CD1 4.11Å; L5-L9 WeakPolarHBondContact O-CG 3.35Å; L5-L9 PolarHBondContact O-N 2.8Å; L5-T136 HydrophobicContact CD2-CG2 3.74Å; L5-T136 HydrophobicContact CG-CG2 4.19Å; L5-L139 HydrophobicContact CD2-CD2 3.68Å; L5-M198 HydrophobicContact CB-CE 3.91Å; L5-M198 HydrophobicContact CB-SD 3.8Å; L5-M198 HydrophobicContact CD1-CG 4.12Å; L5-M198 HydrophobicContact CD1-SD 3.98Å; L5-M198 HydrophobicContact CG-SD 4.47Å; L5-V200 HydrophobicContact CD1-CG2 3.91Å; L5-W221 HydrophobicContact CD1-CB 4.06Å; L5-W221 HydrophobicContact CD1-CD2 4.44Å; L5-W221 HydrophobicContact CD1-CE3 4.32Å; L5-W221 HydrophobicContact CD1-CG 4.36Å; L5-W221 HydrophobicContact CD2-CD2 4.02Å; L5-W221 HydrophobicContact CD2-CE3 3.52Å; L5-W221 HydrophobicContact CD2-CH2 4.29Å; L5-W221 HydrophobicContact CD2-CZ3 3.67Å; L5-V223 HydrophobicContact CD2-CG2 4.08Å
6R91.8Very high92.2Very high90 Ų9022.3 Ų22.334%0.3410%0.102SC..Hα-helixtrans-59.7-43.2175.9-72.8174.4-170.7134.1-8.6111.6A2 D3 L4 R10 T136 D137A2-R6 WeakPolarHBondContact O-CB 3.2Å; A2-R6 VanDerWaalsContact O-CG 3.28Å; A2-R6 WeakPolarHBondContact O-CG 3.25Å; A2-R6 PolarHBondContact O-N 3.47Å; D3-R6 PolarHBondContact O-N 3.07Å; D3-R6 IonicContact OD1-NH1 3.79Å; D3-R6 PolarHBondContact OD1-NH1 3.01Å; L4-R6 PolarHBondContact O-N 2.96Å; R6-R10 WeakPolarHBondContact O-CB 3.46Å; R6-R10 PolarHBondContact O-N 3.19Å; R6-T136 HydrophobicContact CG-CG2 4.46Å; R6-T136 WeakPolarHBondContact CG-OG1 3.38Å; R6-T136 PolarHBondContact NE-OG1 3.33Å; R6-D137 IonicContact NH2-OD1 3.62Å; R6-D137 PolarHBondContact NH2-OD1 2.88Å
7L94.1Very high92.3Very high5 Ų523.4 Ų23.43%0.02611%0.109CC..Hα-helixtrans-62.1-47.2174178.660.5000111.2D3 L4 L5 L9 R10 V11 V65 Q68 F69D3-L7 WeakPolarHBondContact O-CB 3.4Å; D3-L7 PolarHBondContact O-N 2.76Å; L4-L7 WeakPolarHBondContact O-CB 3.48Å; L4-L7 PolarHBondContact O-N 3.35Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 3.45Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 3.43Å; L7-R10 WeakPolarHBondContact O-CB 3.43Å; L7-R10 PolarHBondContact O-N 3.16Å; L7-R10 VanDerWaalsContact O-N 3.1Å; L7-V11 HydrophobicContact CD1-CG1 3.82Å; L7-V11 HydrophobicContact CG-CG1 4.29Å; L7-V11 WeakPolarHBondContact O-CG1 3.16Å; L7-V11 WeakPolarHBondContact O-CG2 3.43Å; L7-V11 PolarHBondContact O-N 3.26Å; L7-V65 HydrophobicContact CD2-CG2 4.26Å; L7-Q68 HydrophobicContact CD2-CB 3.79Å; L7-Q68 HydrophobicContact CD2-CG 4.07Å; L7-F69 HydrophobicContact CB-CE2 4.35Å; L7-F69 HydrophobicContact CD2-CD2 3.64Å; L7-F69 HydrophobicContact CD2-CE2 3.57Å
8L95.9Very high92.4Very high0 Ų022.1 Ų22.10%010%0.103CC..Hα-helixtrans-61-40.8-179.7-68.1-169.7000112.2L4 L5 V11 A12 V65 I150 I186 V188 M198 V200L4-L8 HydrophobicContact CD1-CD1 4.45Å; L4-L8 HydrophobicContact CD1-CD2 4.23Å; L4-L8 HydrophobicContact CD1-CG 4.09Å; L4-L8 HydrophobicContact CG-CD1 4.3Å; L4-L8 HydrophobicContact CG-CG 4.29Å; L4-L8 VanDerWaalsContact O-CG 3.29Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 2.76Å; L5-L8 PolarHBondContact O-N 3.49Å; L8-V11 HydrophobicContact CD2-CG2 4.37Å; L8-V11 WeakPolarHBondContact O-CG2 3.43Å; L8-A12 WeakPolarHBondContact O-CB 3.34Å; L8-A12 PolarHBondContact O-N 3.3Å; L8-V65 HydrophobicContact CD2-CG2 3.8Å; L8-I150 HydrophobicContact CD2-CD1 4.4Å; L8-I186 HydrophobicContact CD1-CG2 4.23Å; L8-I186 HydrophobicContact CD2-CG2 3.97Å; L8-V188 HydrophobicContact CD1-CG2 3.43Å; L8-V188 VanDerWaalsContact CD1-CG2 3.43Å; L8-M198 HydrophobicContact CD1-SD 3.91Å; L8-V200 HydrophobicContact CB-CG2 3.76Å
9L95.1Very high92.5Very high5 Ų521 Ų213%0.02610%0.098CC..Hα-helixtrans-60.9-46.2172.5-74165.5000111.3L5 L7 A12 E13 I132 A134 T136 V200 H219 W221L5-L9 HydrophobicContact CD1-CD1 4.27Å; L5-L9 HydrophobicContact CD1-CG 4.29Å; L5-L9 HydrophobicContact CG-CD1 4.11Å; L5-L9 WeakPolarHBondContact O-CG 3.35Å; L5-L9 PolarHBondContact O-N 2.8Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 3.43Å; L9-A12 PolarHBondContact O-N 3.42Å; L9-E13 PolarHBondContact O-N 3.5Å; L9-I132 VanDerWaalsContact C-CD1 3.4Å; L9-I132 HydrophobicContact CB-CD1 4.21Å; L9-I132 WeakPolarHBondContact O-CD1 3.2Å; L9-A134 HydrophobicContact CD1-CB 3.54Å; L9-T136 HydrophobicContact CD1-CG2 4.18Å; L9-V200 HydrophobicContact CD2-CG1 3.95Å; L9-V200 HydrophobicContact CD2-CG2 4.27Å; L9-V200 HydrophobicContact CG-CG2 4.31Å; L9-H219 HydrophobicContact CD2-CB 4.36Å; L9-W221 HydrophobicContact CD1-CG 4.49Å; L9-W221 HydrophobicContact CD2-CB 4.17Å; L9-W221 HydrophobicContact CD2-CG 4.22Å
10R95.2Very high92.4Very high73 Ų7320.8 Ų20.828%0.27510%0.097SC..Hα-helixtrans-59.6-51178-168.5-173.675.9164.211.2111.9R6 L7 A12 E13 K14 D64 D128 P129R6-R10 WeakPolarHBondContact O-CB 3.46Å; R6-R10 PolarHBondContact O-N 3.19Å; L7-R10 WeakPolarHBondContact O-CB 3.43Å; L7-R10 PolarHBondContact O-N 3.16Å; L7-R10 VanDerWaalsContact O-N 3.1Å; R10-A12 VanDerWaalsContact C-N 3.34Å; R10-A12 PolarHBondContact O-N 3.41Å; R10-E13 PolarHBondContact O-N 2.88Å; R10-K14 PolarHBondContact O-N 3.27Å; R10-D64 IonicContact NH2-OD2 2.97Å; R10-D64 PolarHBondContact NH2-OD2 3.48Å; R10-D128 IonicContact CZ-OD1 2.7Å; R10-P129 HydrophobicContact CG-CG 3.74Å
11V96.4Very high92.3Very high0 Ų021.3 Ų21.30%010%0.1CC..Hα-helixtrans-70.5-30.6-178.1-57.20000112L7 L8 E13 K14 A15 I61 D64 I186L7-V11 HydrophobicContact CD1-CG1 3.82Å; L7-V11 HydrophobicContact CG-CG1 4.29Å; L7-V11 WeakPolarHBondContact O-CG1 3.16Å; L7-V11 WeakPolarHBondContact O-CG2 3.43Å; L7-V11 PolarHBondContact O-N 3.26Å; L8-V11 HydrophobicContact CD2-CG2 4.37Å; L8-V11 WeakPolarHBondContact O-CG2 3.43Å; V11-E13 VanDerWaalsContact C-N 3.34Å; V11-K14 PolarHBondContact O-N 3.22Å; V11-A15 VanDerWaalsContact O-CB 3.31Å; V11-A15 WeakPolarHBondContact O-CB 3.44Å; V11-A15 PolarHBondContact O-N 3.22Å; V11-I61 HydrophobicContact CB-CG1 4.3Å; V11-I61 HydrophobicContact CG2-CG1 4.21Å; V11-I61 HydrophobicContact CG2-CG2 4.1Å; V11-D64 HydrophobicContact CG1-CB 3.48Å; V11-D64 VanDerWaalsContact CG1-CB 3.48Å; V11-I186 HydrophobicContact CG2-CD1 3.9Å
12A97Very high93Very high1 Ų119.5 Ų19.51%0.0089%0.091CC..Hα-helixtrans-65.6-36.5172.300000111.9L8 L9 R10 A15 A16 I186 V200 N202L8-A12 WeakPolarHBondContact O-CB 3.34Å; L8-A12 PolarHBondContact O-N 3.3Å; L9-A12 PolarHBondContact O-N 3.42Å; R10-A12 VanDerWaalsContact C-N 3.34Å; R10-A12 PolarHBondContact O-N 3.41Å; A12-A15 WeakPolarHBondContact O-CB 3.17Å; A12-A15 PolarHBondContact O-N 2.94Å; A12-A16 WeakPolarHBondContact O-CB 3.28Å; A12-A16 PolarHBondContact O-N 3.22Å; A12-I186 HydrophobicContact CB-CD1 3.87Å; A12-V200 HydrophobicContact CB-CG1 3.64Å; A12-N202 HydrophobicContact CB-CB 4.04Å; A12-N202 PolarHBondContact O-ND2 2.97Å
13E95.9Very high93.3Very high32 Ų3221.6 Ų21.615%0.1510%0.096CC..Hα-helixtrans-72.3-37.7173.4-170.760.5-157.700112.4L9 R10 V11 A15 A16 N17 R20 P129 I132 N202L9-E13 PolarHBondContact O-N 3.5Å; R10-E13 PolarHBondContact O-N 2.88Å; V11-E13 VanDerWaalsContact C-N 3.34Å; E13-A15 VanDerWaalsContact C-N 3.32Å; E13-A15 PolarHBondContact O-N 3Å; E13-A16 PolarHBondContact O-N 3.49Å; E13-N17 PolarHBondContact O-N 3.06Å; E13-N17 PolarHBondContact O-ND2 3.02Å; E13-R20 IonicContact OE1-CZ 2.56Å; E13-R20 IonicContact OE1-NH1 3.81Å; E13-R20 IonicContact OE1-NH2 3.23Å; E13-R20 PolarHBondContact OE1-NH2 3.14Å; E13-P129 HydrophobicContact CB-CB 4.19Å; E13-P129 HydrophobicContact CB-CG 4.26Å; E13-P129 HydrophobicContact CG-CB 3.75Å; E13-P129 HydrophobicContact CG-CG 4.35Å; E13-I132 HydrophobicContact CB-CD1 3.63Å; E13-I132 HydrophobicContact CB-CG1 4.48Å; E13-I132 HydrophobicContact CG-CD1 4.29Å; E13-N202 PolarHBondContact OE2-ND2 3.36Å
14K95.4Very high92.9Very high7 Ų722.4 Ų22.43%0.0310%0.097CC..Hα-helixtrans-59-45.6170-67.4-179.671.1174.80111R10 V11 A16 N17 V18 L60 D64 V125 Q127 D128 P129R10-K14 PolarHBondContact O-N 3.27Å; V11-K14 PolarHBondContact O-N 3.22Å; K14-A16 PolarHBondContact O-N 2.7Å; K14-N17 WeakPolarHBondContact O-CB 3.27Å; K14-N17 PolarHBondContact O-N 3.3Å; K14-V18 WeakPolarHBondContact O-CG2 3.4Å; K14-V18 PolarHBondContact O-N 2.88Å; K14-L60 HydrophobicContact CB-CD2 3.82Å; K14-L60 HydrophobicContact CD-CD1 4.49Å; K14-D64 IonicContact NZ-OD2 3.93Å; K14-D64 PolarHBondContact NZ-OD2 3.17Å; K14-V125 WeakPolarHBondContact CE-O 3.25Å; K14-V125 PolarHBondContact NZ-O 2.99Å; K14-V125 VanDerWaalsContact NZ-O 3.15Å; K14-Q127 VanDerWaalsContact CE-O 3.28Å; K14-Q127 WeakPolarHBondContact CE-O 3.27Å; K14-D128 IonicContact NZ-OD1 3.77Å; K14-D128 PolarHBondContact NZ-OD1 3.44Å; K14-P129 HydrophobicContact CG-CG 3.99Å
15A96.7Very high92.2Very high0 Ų026.3 Ų26.30%012%0.115CC..Hα-helixtrans-58.3-45.9174.900000112.2V11 A12 E13 N17 V18 A19 I57 I61 V184V11-A15 VanDerWaalsContact O-CB 3.31Å; V11-A15 WeakPolarHBondContact O-CB 3.44Å; V11-A15 PolarHBondContact O-N 3.22Å; A12-A15 WeakPolarHBondContact O-CB 3.17Å; A12-A15 PolarHBondContact O-N 2.94Å; E13-A15 VanDerWaalsContact C-N 3.32Å; E13-A15 PolarHBondContact O-N 3Å; A15-N17 VanDerWaalsContact C-N 3.32Å; A15-N17 PolarHBondContact O-N 3.22Å; A15-V18 PolarHBondContact O-N 3.48Å; A15-A19 PolarHBondContact O-N 2.74Å; A15-I57 HydrophobicContact CB-CB 4.42Å; A15-I57 HydrophobicContact CB-CG1 4.27Å; A15-I57 HydrophobicContact CB-CG2 3.5Å; A15-I57 VanDerWaalsContact CB-CG2 3.5Å; A15-I61 HydrophobicContact CB-CD1 4.19Å; A15-I61 HydrophobicContact CB-CG1 4.49Å; A15-V184 HydrophobicContact CB-CG1 3.87Å; A15-V184 HydrophobicContact CB-CG2 4.07Å
16A95.4Very high90.9Very high0 Ų029.4 Ų29.40%014%0.141CC..Hα-helixtrans-61.4-38.2175.400000112.7A12 E13 K14 A19 R20 N202 P204A12-A16 WeakPolarHBondContact O-CB 3.28Å; A12-A16 PolarHBondContact O-N 3.22Å; E13-A16 PolarHBondContact O-N 3.49Å; K14-A16 PolarHBondContact O-N 2.7Å; A16-A19 PolarHBondContact O-N 2.68Å; A16-R20 WeakPolarHBondContact O-CG 3.35Å; A16-R20 PolarHBondContact O-N 2.97Å; A16-N202 WeakPolarHBondContact CB-OD1 3.49Å; A16-P204 HydrophobicContact CB-CB 3.77Å; A16-P204 HydrophobicContact CB-CG 3.79Å
17N94Very high89.5Confident42 Ų4229.1 Ų29.123%0.22515%0.151CC..Hα-helixtrans-62.3-45.1173.3-76.5-31.6000112.1E13 K14 A15 A19 R20 I21E13-N17 PolarHBondContact O-N 3.06Å; E13-N17 PolarHBondContact O-ND2 3.02Å; K14-N17 WeakPolarHBondContact O-CB 3.27Å; K14-N17 PolarHBondContact O-N 3.3Å; A15-N17 VanDerWaalsContact C-N 3.32Å; A15-N17 PolarHBondContact O-N 3.22Å; N17-A19 PolarHBondContact O-N 2.66Å; N17-R20 PolarHBondContact O-N 2.96Å; N17-R20 PolarHBondContact OD1-NH2 3.36Å; N17-I21 WeakPolarHBondContact O-CB 3.41Å; N17-I21 WeakPolarHBondContact O-CG1 3.22Å; N17-I21 PolarHBondContact O-N 3.23Å
18V93.7Very high88.1Confident0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-58.9-48.3175174.50000110.3K14 A15 R20 I21 C22 I57 L60 A124 V125K14-V18 WeakPolarHBondContact O-CG2 3.4Å; K14-V18 PolarHBondContact O-N 2.88Å; A15-V18 PolarHBondContact O-N 3.48Å; V18-R20 VanDerWaalsContact C-N 3.32Å; V18-R20 PolarHBondContact O-N 2.83Å; V18-I21 PolarHBondContact O-N 3.34Å; V18-C22 WeakPolarHBondContact O-CB 3.49Å; V18-C22 PolarHBondContact O-N 2.85Å; V18-C22 PolarHBondContact O-SG 2.69Å; V18-I57 HydrophobicContact CB-CD1 4.48Å; V18-I57 HydrophobicContact CB-CG1 4.02Å; V18-I57 HydrophobicContact CG1-CD1 4.35Å; V18-I57 HydrophobicContact CG1-CG1 3.87Å; V18-L60 HydrophobicContact CG2-CD2 4.17Å; V18-A124 HydrophobicContact CG2-CB 4.01Å; V18-V125 HydrophobicContact CG2-CG2 3.96Å
19A93.6Very high86.8Confident1 Ų131 Ų311%0.00816%0.159CC..Hα-helixtrans-58.4-41.517700000112.6A15 A16 N17 R23 I57 Y161 P204A15-A19 PolarHBondContact O-N 2.74Å; A16-A19 PolarHBondContact O-N 2.68Å; N17-A19 PolarHBondContact O-N 2.66Å; A19-R23 PolarHBondContact O-N 3Å; A19-I57 HydrophobicContact CB-CD1 4.06Å; A19-Y161 HydrophobicContact CB-CE2 4.13Å; A19-Y161 PolarHBondContact O-OH 3.46Å; A19-Y161 VanDerWaalsContact O-OH 3.04Å; A19-P204 HydrophobicContact CB-CB 4.49Å; A19-P204 HydrophobicContact CB-CG 4.39Å
20R92.3Very high85.3Confident17 Ų1738.7 Ų38.76%0.06420%0.195CC..Hα-helixtrans-65.4-46.7176.1-74.8-175.2-73-113.26.7112.3E13 A16 N17 V18 R23 Q24 P204 F205 W215 G217E13-R20 IonicContact OE1-CZ 2.56Å; E13-R20 IonicContact OE1-NH1 3.81Å; E13-R20 IonicContact OE1-NH2 3.23Å; E13-R20 PolarHBondContact OE1-NH2 3.14Å; A16-R20 WeakPolarHBondContact O-CG 3.35Å; A16-R20 PolarHBondContact O-N 2.97Å; N17-R20 PolarHBondContact O-N 2.96Å; N17-R20 PolarHBondContact OD1-NH2 3.36Å; V18-R20 VanDerWaalsContact C-N 3.32Å; V18-R20 PolarHBondContact O-N 2.83Å; R20-R23 PolarHBondContact O-N 2.88Å; R20-Q24 WeakPolarHBondContact O-CG 3.4Å; R20-Q24 PolarHBondContact O-N 3.4Å; R20-P204 HydrophobicContact CG-CB 4.27Å; R20-P204 PolarHBondContact NH1-O 3.39Å; R20-F205 HydrophobicContact CB-CE1 4.43Å; R20-F205 HydrophobicContact CG-CD1 4.28Å; R20-F205 HydrophobicContact CG-CE1 3.77Å; R20-F205 HydrophobicContact CG-CZ 4.16Å; R20-W215 VanDerWaalsContact CD-O 3.26Å; R20-W215 WeakPolarHBondContact CD-O 3.25Å; R20-W215 HydrophobicContact CG-CB 4.27Å; R20-G217 VanDerWaalsContact NH1-CA 3.28Å
21I89.4Confident83.7Confident31 Ų3139.3 Ų39.316%0.15920%0.203CC..Hα-helixtrans-62.5-46.1-179.2-73.1167.1000110.7N17 V18 R23 Q24 E25 L120 A124N17-I21 WeakPolarHBondContact O-CB 3.41Å; N17-I21 WeakPolarHBondContact O-CG1 3.22Å; N17-I21 PolarHBondContact O-N 3.23Å; V18-I21 PolarHBondContact O-N 3.34Å; I21-R23 PolarHBondContact O-N 3.22Å; I21-R23 VanDerWaalsContact O-N 3.12Å; I21-Q24 PolarHBondContact O-N 2.86Å; I21-Q24 VanDerWaalsContact O-N 3.13Å; I21-E25 HydrophobicContact CG2-CG 4.49Å; I21-E25 WeakPolarHBondContact O-CG 3.36Å; I21-E25 PolarHBondContact O-N 3.36Å; I21-L120 HydrophobicContact CG2-CD1 4.44Å; I21-L120 HydrophobicContact CG2-CD2 4.17Å; I21-L120 HydrophobicContact CG2-CG 4.01Å; I21-A124 HydrophobicContact CD1-CB 3.5Å; I21-A124 VanDerWaalsContact CD1-CB 3.5Å
22C88.1Confident82.2Confident0 Ų039.3 Ų39.30%020%0.203CC..Hα-helixtrans-55.5-30.9176.8-730000113V18 F29 L32 A53 L121 Y161V18-C22 WeakPolarHBondContact O-CB 3.49Å; V18-C22 PolarHBondContact O-N 2.85Å; V18-C22 PolarHBondContact O-SG 2.69Å; C22-F29 WeakPolarHBondContact O-CB 3.41Å; C22-L32 HydrophobicContact CB-CD1 3.92Å; C22-A53 HydrophobicContact CB-CB 4.26Å; C22-L121 WeakPolarHBondContact SG-CD2 3.48Å; C22-Y161 WeakPolarHBondContact CB-OH 3.43Å
23R85.1Confident80.8Confident56 Ų5641.5 Ų41.521%0.21122%0.216CC..Hα-helixtrans-86.8-31.7176.5-77.2-160.758.976.812.4114.9A19 R20 I21 E25 F29 Y161 G164 F205A19-R23 PolarHBondContact O-N 3Å; R20-R23 PolarHBondContact O-N 2.88Å; I21-R23 PolarHBondContact O-N 3.22Å; I21-R23 VanDerWaalsContact O-N 3.12Å; R23-E25 PolarHBondContact O-N 3.2Å; R23-F29 HydrophobicContact CG-CD2 4.1Å; R23-F29 HydrophobicContact CG-CE2 3.84Å; R23-Y161 VanDerWaalsContact CD-CE2 3.42Å; R23-Y161 HydrophobicContact CG-CD2 4.19Å; R23-Y161 HydrophobicContact CG-CE2 3.43Å; R23-Y161 VanDerWaalsContact CG-CE2 3.43Å; R23-Y161 PolarHBondContact NH1-O 3.4Å; R23-G164 VanDerWaalsContact NH1-CA 3.28Å; R23-G164 PolarHBondContact NH2-O 3.37Å; R23-F205 HydrophobicContact CG-CZ 4.21Å
24Q81.6Confident79.3Confident108 Ų10843 Ų4351%0.50522%0.223SC..Hα-helixtrans-68-26.2177.5-74.7175.6-10.500111.6R20 I21R20-Q24 WeakPolarHBondContact O-CG 3.4Å; R20-Q24 PolarHBondContact O-N 3.4Å; I21-Q24 PolarHBondContact O-N 2.86Å; I21-Q24 VanDerWaalsContact O-N 3.13Å
25E76.1Confident77.7Confident84 Ų8446.8 Ų46.839%0.39324%0.241SC..  trans-104.190.1-172.9-64.1-76.7172.500109.8I21 R23 P27 L28 F29 L120I21-E25 HydrophobicContact CG2-CG 4.49Å; I21-E25 WeakPolarHBondContact O-CG 3.36Å; I21-E25 PolarHBondContact O-N 3.36Å; R23-E25 PolarHBondContact O-N 3.2Å; E25-P27 VanDerWaalsContact C-CD 3.41Å; E25-P27 VanDerWaalsContact C-N 3.34Å; E25-L28 HydrophobicContact CB-CB 3.9Å; E25-L28 HydrophobicContact CB-CD1 3.66Å; E25-L28 HydrophobicContact CB-CG 4.39Å; E25-L28 HydrophobicContact CG-CD1 4.21Å; E25-L28 WeakPolarHBondContact O-CA 3.33Å; E25-L28 VanDerWaalsContact O-CB 3.31Å; E25-L28 WeakPolarHBondContact O-CB 3.49Å; E25-L28 PolarHBondContact O-N 3.41Å; E25-F29 PolarHBondContact O-N 3.46Å; E25-L120 HydrophobicContact CB-CD2 4.2Å; E25-L120 HydrophobicContact CG-CD2 3.46Å; E25-L120 VanDerWaalsContact CG-CD2 3.46Å
26A65.5Low76.1Confident65 Ų6547.6 Ų47.654%0.53725%0.245SC..Hα-helixtrans-52.7-39.3-175.100000115F29 Q30A26-F29 PolarHBondContact O-N 2.98Å; A26-Q30 PolarHBondContact O-N 3.3Å
27P62.7Low74.5Confident84 Ų8452.7 Ų52.755%0.54528%0.276SS..Hα-helixtrans-65.3-38.1175.3-21.734.4000113E25 L31E25-P27 VanDerWaalsContact C-CD 3.41Å; E25-P27 VanDerWaalsContact C-N 3.34Å; P27-L31 WeakPolarHBondContact O-CD1 3.22Å; P27-L31 WeakPolarHBondContact O-CG 3.49Å
28L64.9Low73.3Confident6 Ų653.6 Ų53.63%0.03130%0.296CS..Hα-helixtrans-62.5-52.7173.6-96.1149.6000109.4E25 Q30 L31 L32 A117 L120 L121E25-L28 HydrophobicContact CB-CB 3.9Å; E25-L28 HydrophobicContact CB-CD1 3.66Å; E25-L28 HydrophobicContact CB-CG 4.39Å; E25-L28 HydrophobicContact CG-CD1 4.21Å; E25-L28 WeakPolarHBondContact O-CA 3.33Å; E25-L28 VanDerWaalsContact O-CB 3.31Å; E25-L28 WeakPolarHBondContact O-CB 3.49Å; E25-L28 PolarHBondContact O-N 3.41Å; L28-Q30 VanDerWaalsContact C-N 3.28Å; L28-Q30 PolarHBondContact O-N 3.2Å; L28-Q30 VanDerWaalsContact O-N 3.11Å; L28-L31 PolarHBondContact O-N 3.49Å; L28-L32 HydrophobicContact CB-CD1 4.2Å; L28-L32 HydrophobicContact CD2-CD1 4.21Å; L28-L32 HydrophobicContact CD2-CD2 4.38Å; L28-L32 WeakPolarHBondContact O-CD1 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.26Å; L28-L32 PolarHBondContact O-N 3.21Å; L28-A117 HydrophobicContact CD1-CB 4.38Å; L28-A117 HydrophobicContact CD2-CB 3.72Å; L28-A117 HydrophobicContact CG-CB 3.79Å; L28-L120 HydrophobicContact CD1-CB 4.22Å; L28-L120 HydrophobicContact CD1-CD2 3.34Å; L28-L120 HydrophobicContact CD1-CG 4.12Å; L28-L121 HydrophobicContact CD2-CD1 3.53Å; L28-L121 HydrophobicContact CD2-CD2 4.09Å; L28-L121 HydrophobicContact CD2-CG 3.6Å
29F67.8Low71.7Confident39 Ų3960.3 Ų60.317%0.17133%0.327CS..Hα-helixtrans-53.4-40.2-175.2-165.3-109.8000114.8C22 R23 E25 A26 L32 Y161 I162C22-F29 WeakPolarHBondContact O-CB 3.41Å; R23-F29 HydrophobicContact CG-CD2 4.1Å; R23-F29 HydrophobicContact CG-CE2 3.84Å; E25-F29 PolarHBondContact O-N 3.46Å; A26-F29 PolarHBondContact O-N 2.98Å; F29-L32 PolarHBondContact O-N 2.85Å; F29-Y161 HydrophobicContact CE2-CD1 4.47Å; F29-Y161 AromaticContact CE2-CE1 3.97Å; F29-Y161 HydrophobicContact CE2-CE1 3.97Å; F29-I162 WeakPolarHBondContact CE1-O 3.24Å; F29-I162 WeakPolarHBondContact CZ-O 3.07Å
30Q65.1Low70.1Confident166 Ų16664.7 Ų64.778%0.77635%0.35SS*.Hα-helixtrans-71.1-29.6179.3-69.5-172.7-11.600113.8A26 L28 L32A26-Q30 PolarHBondContact O-N 3.3Å; L28-Q30 VanDerWaalsContact C-N 3.28Å; L28-Q30 PolarHBondContact O-N 3.2Å; L28-Q30 VanDerWaalsContact O-N 3.11Å; Q30-L32 VanDerWaalsContact C-N 3.31Å
31L61.2Low68.7Low86 Ų8666.6 Ų66.645%0.4536%0.359SS..Hα-helixtrans-80.4-15178.9-66.9170.5000112.7P27 L28 L111P27-L31 WeakPolarHBondContact O-CD1 3.22Å; P27-L31 WeakPolarHBondContact O-CG 3.49Å; L28-L31 PolarHBondContact O-N 3.49Å; L31-L111 HydrophobicContact CB-CD2 4.45Å
32L64Low67.3Low1 Ų165.9 Ų65.91%0.00536%0.355CS..SBendtrans-92.9-11.7-168.5-64.1167000113.8C22 L28 F29 Q30 T51 L52 L111 L121C22-L32 HydrophobicContact CB-CD1 3.92Å; L28-L32 HydrophobicContact CB-CD1 4.2Å; L28-L32 HydrophobicContact CD2-CD1 4.21Å; L28-L32 HydrophobicContact CD2-CD2 4.38Å; L28-L32 WeakPolarHBondContact O-CD1 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.26Å; L28-L32 PolarHBondContact O-N 3.21Å; F29-L32 PolarHBondContact O-N 2.85Å; Q30-L32 VanDerWaalsContact C-N 3.31Å; L32-T51 CarbonylContact O-C 3.43Å; L32-T51 WeakPolarHBondContact O-CA 3.3Å; L32-T51 WeakPolarHBondContact O-CB 3.33Å; L32-L52 HydrophobicContact CD2-CB 3.49Å; L32-L52 VanDerWaalsContact CD2-CB 3.49Å; L32-L52 HydrophobicContact CD2-CD2 3.59Å; L32-L52 HydrophobicContact CD2-CG 3.8Å; L32-L52 PolarHBondContact O-N 3.01Å; L32-L111 HydrophobicContact CD2-CD2 4.47Å; L32-L121 HydrophobicContact CD2-CD1 4.18Å
33V68.3Low65.9Low46 Ų4673.2 Ų73.228%0.27939%0.387SS..EExtended strand (participates in β ladder)trans-96.9121.4-171.3-175.90000111.8F49 T51 I162V33-F49 HydrophobicContact CG1-CB 4.35Å; V33-F49 HydrophobicContact CG1-CD1 3.55Å; V33-F49 HydrophobicContact CG1-CE1 4.12Å; V33-F49 HydrophobicContact CG1-CG 4.14Å; V33-T51 HydrophobicContact CG2-CG2 4.15Å; V33-I162 HydrophobicContact CG1-CD1 3.95Å; V33-I162 HydrophobicContact CG2-CD1 4.4Å; V33-I162 HydrophobicContact CG2-CG1 4.25Å
34Q64.4Low64.5Low63 Ų6375.6 Ų75.629%0.29440%0.399SS..EExtended strand (participates in β ladder)trans-123.7144.3170.7-67.5-172.7-13.600110.2F49 K50 F84 E85Q34-F49 CarbonylContact O-C 3.55Å; Q34-F49 VanDerWaalsContact O-CA 3.31Å; Q34-F49 WeakPolarHBondContact O-CA 3.42Å; Q34-K50 PolarHBondContact N-O 3.47Å; Q34-K50 PolarHBondContact O-N 2.99Å; Q34-F84 HydrophobicContact CG-CE1 4.44Å; Q34-F84 HydrophobicContact CG-CE2 4.19Å; Q34-F84 HydrophobicContact CG-CZ 3.74Å; Q34-E85 PolarHBondContact NE2-O 3.45Å
35E63Low63.2Low88 Ų8875.6 Ų75.641%0.41140%0.398SS..EExtended strand (participates in β ladder)trans-79130.3169.8-161.2-176159.800109.3K41 D48 F49E35-K41 IonicContact OE1-NZ 2.68Å; E35-K41 PolarHBondContact OE1-NZ 3.05Å; E35-D48 CarbonylContact C-O 3.46Å; E35-D48 VanDerWaalsContact CA-O 3.31Å; E35-D48 WeakPolarHBondContact CA-O 3.39Å; E35-D48 WeakPolarHBondContact CG-O 3.25Å; E35-F49 HydrophobicContact CB-CD1 4.42Å; E35-F49 HydrophobicContact CB-CE1 4.47Å
36K63.2Low61.6Low16 Ų1678.2 Ų78.27%0.0742%0.419CS..  trans-63.3134.8171-65.5-176.3-177172.90108.9K41 D48 F49 K50 E79 E80K36-K41 HydrophobicContact CB-CB 4.29Å; K36-K41 WeakPolarHBondContact O-CD 3.49Å; K36-D48 HydrophobicContact CB-CB 4.17Å; K36-D48 WeakPolarHBondContact CD-OD2 3.41Å; K36-D48 PolarHBondContact N-O 3.04Å; K36-F49 WeakPolarHBondContact CE-O 3.43Å; K36-K50 HydrophobicContact CD-CB 4.32Å; K36-K50 HydrophobicContact CG-CB 3.71Å; K36-E79 IonicContact NZ-OE1 3.26Å; K36-E79 PolarHBondContact NZ-OE1 2.92Å; K36-E80 WeakPolarHBondContact CE-OE1 3.17Å; K36-E80 IonicContact NZ-OE1 3.76Å; K36-E80 PolarHBondContact NZ-OE1 3.2Å
37T61.7Low60.7Low107 Ų10780.8 Ų80.866%0.65642%0.42SS*.  trans-129.5163.3177.763.90000111
38G68.7Low60.3Low62 Ų6277.5 Ų77.564%0.63940%0.398SS*.G310 helixtrans67.5-136.9174.200000114.4D40 K41G38-D40 VanDerWaalsContact C-N 3.27Å; G38-D40 PolarHBondContact O-N 3.1Å; G38-K41 PolarHBondContact O-N 3.36Å
39E59.3Low60.1Low141 Ų14179.3 Ų79.366%0.65941%0.405SS*.G310 helixtrans-72.3-18.1-176.5-63.2-161.9142.500114
40D60.3Low60.3Low93 Ų9378.3 Ų78.350%0.49740%0.401SS..G310 helixtrans-88.1-13.4178.9-66.1-22.3000112.1G38G38-D40 VanDerWaalsContact C-N 3.27Å; G38-D40 PolarHBondContact O-N 3.1Å
41K62.3Low60.8Low57 Ų5770.5 Ų70.525%0.24836%0.364CS..SBendtrans-76.1124.5177-176.3170.7-174.4158.10110.9E35 K36 G38 K43 V46 D48E35-K41 IonicContact OE1-NZ 2.68Å; E35-K41 PolarHBondContact OE1-NZ 3.05Å; K36-K41 HydrophobicContact CB-CB 4.29Å; K36-K41 WeakPolarHBondContact O-CD 3.49Å; G38-K41 PolarHBondContact O-N 3.36Å; K41-K43 PolarHBondContact O-N 3.4Å; K41-K43 VanDerWaalsContact O-N 3.16Å; K41-V46 PolarHBondContact NZ-O 3.45Å; K41-D48 HydrophobicContact CG-CB 4.08Å
42N59.7Low61.9Low16 Ų1666.4 Ų66.49%0.08634%0.343CS..  trans-69.7110.3164.5-178.1-19000110K44 F45 D48 F298N42-K44 PolarHBondContact O-N 3.06Å; N42-K44 WeakPolarHBondContact OD1-CB 3.09Å; N42-K44 PolarHBondContact OD1-N 3.38Å; N42-F45 HydrophobicContact CB-CD2 3.81Å; N42-F45 HydrophobicContact CB-CE2 4.37Å; N42-F45 WeakPolarHBondContact ND2-CD2 3.35Å; N42-F45 WeakPolarHBondContact ND2-CE2 3.32Å; N42-F45 PolarHBondContact O-N 3.15Å; N42-D48 VanDerWaalsContact CB-OD2 3.31Å; N42-D48 WeakPolarHBondContact CB-OD2 3.29Å; N42-D48 PolarHBondContact N-OD2 3.09Å; N42-F298 WeakPolarHBondContact ND2-CE2 3.26Å
43K59.3Low63Low154 Ų15466.3 Ų66.367%0.6734%0.343SS*.THydrogen-bonded Turntrans-64.5-12.4-174.3-63.5171.5-174.6157.40114.2K41 D350K41-K43 PolarHBondContact O-N 3.4Å; K41-K43 VanDerWaalsContact O-N 3.16Å; K43-D350 IonicContact NZ-OD2 3.06Å
44K56.3Low64.1Low106 Ų10664.1 Ų64.146%0.46133%0.329SS..THydrogen-bonded Turntrans-88.4-17.7179.6-64.8-170.3177.8-169.50113.4N42 E294 G295N42-K44 PolarHBondContact O-N 3.06Å; N42-K44 WeakPolarHBondContact OD1-CB 3.09Å; N42-K44 PolarHBondContact OD1-N 3.38Å; K44-E294 IonicContact NZ-OE2 3.73Å; K44-E294 PolarHBondContact NZ-OE2 3.36Å; K44-G295 PolarHBondContact NZ-O 3.21Å
45F52.7Low65.5Low108 Ų10861.1 Ų61.147%0.47432%0.315SS..SBendtrans-92.2135.8175-66.2-68.3000110.8N42 Q47 D48N42-F45 HydrophobicContact CB-CD2 3.81Å; N42-F45 HydrophobicContact CB-CE2 4.37Å; N42-F45 WeakPolarHBondContact ND2-CD2 3.35Å; N42-F45 WeakPolarHBondContact ND2-CE2 3.32Å; N42-F45 PolarHBondContact O-N 3.15Å; F45-Q47 VanDerWaalsContact C-N 3.3Å; F45-D48 HydrophobicContact CB-CB 4.24Å
46V42.9Very low66.9Low138 Ų13857 Ų5784%0.83630%0.296SS*.SBendtrans-62.7-42.7177.11790000110K41K41-V46 PolarHBondContact NZ-O 3.45Å
47Q47.7Very low68.5Low120 Ų12056.2 Ų56.256%0.56129%0.293SS*.SBendtrans-129.7125.3170.7-66.5175.4-34.600107.2F45 F49F45-Q47 VanDerWaalsContact C-N 3.3Å; Q47-F49 HydrophobicContact CB-CD2 4.38Å; Q47-F49 HydrophobicContact CB-CE2 3.57Å; Q47-F49 HydrophobicContact CB-CZ 3.65Å; Q47-F49 HydrophobicContact CG-CZ 4.27Å
48D52.9Low70.2Confident14 Ų1451.1 Ų51.18%0.07526%0.261CS..  trans-116.6123.4178.3-171.813.4000106.6E35 K36 K41 N42 F45E35-D48 CarbonylContact C-O 3.46Å; E35-D48 VanDerWaalsContact CA-O 3.31Å; E35-D48 WeakPolarHBondContact CA-O 3.39Å; E35-D48 WeakPolarHBondContact CG-O 3.25Å; K36-D48 HydrophobicContact CB-CB 4.17Å; K36-D48 WeakPolarHBondContact CD-OD2 3.41Å; K36-D48 PolarHBondContact N-O 3.04Å; K41-D48 HydrophobicContact CG-CB 4.08Å; N42-D48 VanDerWaalsContact CB-OD2 3.31Å; N42-D48 WeakPolarHBondContact CB-OD2 3.29Å; N42-D48 PolarHBondContact N-OD2 3.09Å; F45-D48 HydrophobicContact CB-CB 4.24Å
49F62.1Low71.6Confident45 Ų4548.7 Ų48.720%0.19723%0.233CC..EExtended strand (participates in β ladder)trans-114.6141.6-171-64.5-75.4000110V33 Q34 E35 K36 Q47 I162V33-F49 HydrophobicContact CG1-CB 4.35Å; V33-F49 HydrophobicContact CG1-CD1 3.55Å; V33-F49 HydrophobicContact CG1-CE1 4.12Å; V33-F49 HydrophobicContact CG1-CG 4.14Å; Q34-F49 CarbonylContact O-C 3.55Å; Q34-F49 VanDerWaalsContact O-CA 3.31Å; Q34-F49 WeakPolarHBondContact O-CA 3.42Å; E35-F49 HydrophobicContact CB-CD1 4.42Å; E35-F49 HydrophobicContact CB-CE1 4.47Å; K36-F49 WeakPolarHBondContact CE-O 3.43Å; Q47-F49 HydrophobicContact CB-CD2 4.38Å; Q47-F49 HydrophobicContact CB-CE2 3.57Å; Q47-F49 HydrophobicContact CB-CZ 3.65Å; Q47-F49 HydrophobicContact CG-CZ 4.27Å; F49-I162 HydrophobicContact CB-CD1 3.31Å; F49-I162 HydrophobicContact CD1-CD1 4.42Å; F49-I162 HydrophobicContact CD2-CD1 3.83Å; F49-I162 HydrophobicContact CG-CD1 3.62Å
50K70.5Confident73.4Confident18 Ų1842 Ų428%0.07820%0.202CC..EExtended strand (participates in β ladder)trans-115134.1166.1170.2179.1-172.51730106.8Q34 K36 V55 E80 S81 K83Q34-K50 PolarHBondContact N-O 3.47Å; Q34-K50 PolarHBondContact O-N 2.99Å; K36-K50 HydrophobicContact CD-CB 4.32Å; K36-K50 HydrophobicContact CG-CB 3.71Å; K50-V55 HydrophobicContact CD-CG2 4.26Å; K50-V55 HydrophobicContact CG-CG2 4.39Å; K50-E80 WeakPolarHBondContact CD-OE2 3.4Å; K50-E80 WeakPolarHBondContact CE-OE2 3.44Å; K50-E80 VanDerWaalsContact CG-OE2 3.28Å; K50-E80 WeakPolarHBondContact CG-OE2 3.4Å; K50-E80 IonicContact NZ-OE2 3.96Å; K50-S81 PolarHBondContact NZ-O 2.95Å; K50-K83 PolarHBondContact NZ-O 3.4Å
51T76Confident75.2Confident1 Ų137.5 Ų37.51%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-104150.616873.90000112L32 V33 A53 D54 V55 T158 I162L32-T51 CarbonylContact O-C 3.43Å; L32-T51 WeakPolarHBondContact O-CA 3.3Å; L32-T51 WeakPolarHBondContact O-CB 3.33Å; V33-T51 HydrophobicContact CG2-CG2 4.15Å; T51-A53 PolarHBondContact O-N 2.94Å; T51-A53 WeakPolarHBondContact OG1-CB 3.29Å; T51-A53 PolarHBondContact OG1-N 2.95Å; T51-D54 WeakPolarHBondContact CA-OD2 3.39Å; T51-D54 VanDerWaalsContact CB-OD2 3.3Å; T51-D54 WeakPolarHBondContact CB-OD2 3.19Å; T51-D54 PolarHBondContact N-OD2 2.93Å; T51-D54 WeakPolarHBondContact O-CB 3.39Å; T51-D54 PolarHBondContact O-N 3.08Å; T51-D54 PolarHBondContact OG1-N 2.93Å; T51-D54 PolarHBondContact OG1-OD2 3.19Å; T51-V55 PolarHBondContact O-N 2.88Å; T51-T158 HydrophobicContact CG2-CG2 4.27Å; T51-I162 HydrophobicContact CG2-CD1 4.15Å; T51-I162 HydrophobicContact CG2-CG1 4.2Å
52L84.4Confident76.9Confident0 Ų036.2 Ų36.20%017%0.172CC..Hα-helixtrans-59.1-25.4166.2171.267.9000110.2L32 V55 M56 F84 V94 V110 L111 L121L32-L52 HydrophobicContact CD2-CB 3.49Å; L32-L52 VanDerWaalsContact CD2-CB 3.49Å; L32-L52 HydrophobicContact CD2-CD2 3.59Å; L32-L52 HydrophobicContact CD2-CG 3.8Å; L32-L52 PolarHBondContact O-N 3.01Å; L52-V55 PolarHBondContact O-N 2.69Å; L52-M56 HydrophobicContact CD1-CG 4.04Å; L52-M56 HydrophobicContact CD1-SD 4.45Å; L52-M56 HydrophobicContact CG-CG 4.14Å; L52-M56 WeakPolarHBondContact O-CB 3.4Å; L52-M56 VanDerWaalsContact O-CG 3.22Å; L52-M56 WeakPolarHBondContact O-CG 3.48Å; L52-M56 PolarHBondContact O-N 3.03Å; L52-F84 HydrophobicContact CB-CD2 4.24Å; L52-F84 HydrophobicContact CB-CE1 4.37Å; L52-F84 HydrophobicContact CB-CE2 3.67Å; L52-F84 HydrophobicContact CB-CZ 3.72Å; L52-F84 HydrophobicContact CD1-CD2 4.23Å; L52-F84 HydrophobicContact CD1-CE2 4.48Å; L52-F84 HydrophobicContact CD1-CG 4.3Å; L52-V94 HydrophobicContact CD1-CG1 4.32Å; L52-V94 HydrophobicContact CD1-CG2 4.13Å; L52-V110 HydrophobicContact CD1-CG1 3.91Å; L52-V110 HydrophobicContact CD2-CG1 3.94Å; L52-L111 HydrophobicContact CD2-CD1 4.32Å; L52-L111 HydrophobicContact CD2-CD2 3.63Å; L52-L111 HydrophobicContact CD2-CG 3.97Å; L52-L121 HydrophobicContact CD2-CD1 4.28Å
53A88.1Confident78.7Confident0 Ų038.5 Ų38.50%018%0.182CC..Hα-helixtrans-61.9-41.5170.600000112.2C22 T51 V55 M56 I57 I155C22-A53 HydrophobicContact CB-CB 4.26Å; T51-A53 PolarHBondContact O-N 2.94Å; T51-A53 WeakPolarHBondContact OG1-CB 3.29Å; T51-A53 PolarHBondContact OG1-N 2.95Å; A53-V55 PolarHBondContact O-N 2.89Å; A53-M56 PolarHBondContact O-N 2.87Å; A53-I57 WeakPolarHBondContact O-CB 3.47Å; A53-I57 VanDerWaalsContact O-CG1 3.26Å; A53-I57 WeakPolarHBondContact O-CG1 3.42Å; A53-I57 PolarHBondContact O-N 2.91Å; A53-I155 HydrophobicContact CB-CD1 4.15Å
54D91.3Very high80.4Confident0 Ų031.8 Ų31.80%015%0.153CC..Hα-helixtrans-59.3-47.9175.7-65.4-67.1000111.5T51 M56 I57 Q58 E80 P154 I155T51-D54 WeakPolarHBondContact CA-OD2 3.39Å; T51-D54 VanDerWaalsContact CB-OD2 3.3Å; T51-D54 WeakPolarHBondContact CB-OD2 3.19Å; T51-D54 PolarHBondContact N-OD2 2.93Å; T51-D54 WeakPolarHBondContact O-CB 3.39Å; T51-D54 PolarHBondContact O-N 3.08Å; T51-D54 PolarHBondContact OG1-N 2.93Å; T51-D54 PolarHBondContact OG1-OD2 3.19Å; D54-M56 PolarHBondContact O-N 3.1Å; D54-I57 PolarHBondContact O-N 3.09Å; D54-Q58 WeakPolarHBondContact O-CB 3.24Å; D54-Q58 PolarHBondContact O-N 2.83Å; D54-E80 HydrophobicContact CB-CG 3.7Å; D54-P154 HydrophobicContact CB-CB 4.3Å; D54-P154 HydrophobicContact CB-CG 3.76Å; D54-P154 VanDerWaalsContact O-CB 3.25Å; D54-P154 WeakPolarHBondContact O-CB 3.31Å; D54-I155 WeakPolarHBondContact OD1-CB 3.31Å; D54-I155 WeakPolarHBondContact OD1-CG1 3.36Å
55V92.3Very high82.4Confident0 Ų026.8 Ų26.80%013%0.131CC..Hα-helixtrans-61.2-47177.4-175.30000111.1K50 T51 L52 A53 Q58 E59 F84 V94K50-V55 HydrophobicContact CD-CG2 4.26Å; K50-V55 HydrophobicContact CG-CG2 4.39Å; T51-V55 PolarHBondContact O-N 2.88Å; L52-V55 PolarHBondContact O-N 2.69Å; A53-V55 PolarHBondContact O-N 2.89Å; V55-Q58 PolarHBondContact O-N 3.11Å; V55-E59 HydrophobicContact CG1-CG 4.28Å; V55-E59 WeakPolarHBondContact O-CB 3.44Å; V55-E59 WeakPolarHBondContact O-CG 3.39Å; V55-E59 PolarHBondContact O-N 2.84Å; V55-F84 HydrophobicContact CG2-CD2 4.25Å; V55-V94 HydrophobicContact CG1-CB 3.61Å; V55-V94 HydrophobicContact CG1-CG1 3.77Å; V55-V94 HydrophobicContact CG1-CG2 4.06Å
56M93.7Very high84.5Confident0 Ų026.3 Ų26.30%013%0.126CC..Hα-helixtrans-64.9-42.5-178.1-74.6-49.1-60.200112.4L52 A53 D54 E59 L60 V94 V96 T103 L107 V125L52-M56 HydrophobicContact CD1-CG 4.04Å; L52-M56 HydrophobicContact CD1-SD 4.45Å; L52-M56 HydrophobicContact CG-CG 4.14Å; L52-M56 WeakPolarHBondContact O-CB 3.4Å; L52-M56 VanDerWaalsContact O-CG 3.22Å; L52-M56 WeakPolarHBondContact O-CG 3.48Å; L52-M56 PolarHBondContact O-N 3.03Å; A53-M56 PolarHBondContact O-N 2.87Å; D54-M56 PolarHBondContact O-N 3.1Å; M56-E59 PolarHBondContact O-N 3.46Å; M56-L60 WeakPolarHBondContact O-CB 3.48Å; M56-L60 PolarHBondContact O-N 3.5Å; M56-V94 HydrophobicContact CG-CG1 4.48Å; M56-V94 HydrophobicContact SD-CG1 3.2Å; M56-V94 WeakPolarHBondContact SD-CG1 3.27Å; M56-V96 HydrophobicContact CE-CG2 4.08Å; M56-T103 HydrophobicContact CE-CG2 4.36Å; M56-L107 HydrophobicContact CE-CD1 4.1Å; M56-L107 HydrophobicContact CE-CD2 4.09Å; M56-L107 HydrophobicContact CG-CD2 4.34Å; M56-L107 HydrophobicContact SD-CD2 3.51Å; M56-L107 VanDerWaalsContact SD-CD2 3.51Å; M56-V125 HydrophobicContact CE-CG1 4.48Å; M56-V125 HydrophobicContact CE-CG2 3.78Å
57I96.1Very high87Confident0 Ų023.2 Ų23.20%012%0.116CC..Hα-helixtrans-62.7-46.2176.9-74.9168.1000110.3A15 V18 A19 A53 D54 L60 I61 P154 I155 V184A15-I57 HydrophobicContact CB-CB 4.42Å; A15-I57 HydrophobicContact CB-CG1 4.27Å; A15-I57 HydrophobicContact CB-CG2 3.5Å; A15-I57 VanDerWaalsContact CB-CG2 3.5Å; V18-I57 HydrophobicContact CB-CD1 4.48Å; V18-I57 HydrophobicContact CB-CG1 4.02Å; V18-I57 HydrophobicContact CG1-CD1 4.35Å; V18-I57 HydrophobicContact CG1-CG1 3.87Å; A19-I57 HydrophobicContact CB-CD1 4.06Å; A53-I57 WeakPolarHBondContact O-CB 3.47Å; A53-I57 VanDerWaalsContact O-CG1 3.26Å; A53-I57 WeakPolarHBondContact O-CG1 3.42Å; A53-I57 PolarHBondContact O-N 2.91Å; D54-I57 PolarHBondContact O-N 3.09Å; I57-L60 WeakPolarHBondContact O-CB 3.4Å; I57-L60 PolarHBondContact O-N 2.93Å; I57-I61 HydrophobicContact CG2-CD1 3.83Å; I57-I61 VanDerWaalsContact O-CG1 3.3Å; I57-I61 WeakPolarHBondContact O-CG1 3.39Å; I57-I61 PolarHBondContact O-N 2.83Å; I57-P154 HydrophobicContact CB-CB 3.89Å; I57-P154 HydrophobicContact CG2-CB 3.59Å; I57-I155 HydrophobicContact CD1-CD1 3.89Å; I57-I155 HydrophobicContact CD1-CG1 3.76Å; I57-V184 HydrophobicContact CG2-CG1 4.46Å
58Q97.8Very high89.3Confident0 Ų022 Ų220%011%0.11CC..Hα-helixtrans-65.1-42.9-180-167.9179.7-97.400112.1D54 V55 I61 R62 E79 E80 I152 P154D54-Q58 WeakPolarHBondContact O-CB 3.24Å; D54-Q58 PolarHBondContact O-N 2.83Å; V55-Q58 PolarHBondContact O-N 3.11Å; Q58-I61 PolarHBondContact O-N 3.49Å; Q58-R62 WeakPolarHBondContact O-CB 3.36Å; Q58-R62 WeakPolarHBondContact O-CG 3.49Å; Q58-R62 PolarHBondContact O-N 3.21Å; Q58-E79 VanDerWaalsContact OE1-N 3.1Å; Q58-E80 PolarHBondContact NE2-O 3.31Å; Q58-I152 HydrophobicContact CB-CG2 4.5Å; Q58-I152 HydrophobicContact CG-CB 4.24Å; Q58-I152 HydrophobicContact CG-CD1 4.1Å; Q58-I152 HydrophobicContact CG-CG2 4.07Å; Q58-P154 HydrophobicContact CB-CB 4.22Å; Q58-P154 HydrophobicContact CB-CG 4.44Å
59E97.4Very high91.3Very high11 Ų1122.8 Ų22.85%0.05111%0.113CC..Hα-helixtrans-69.7-34.6177.9-70.9-58116.200112.4V55 M56 R62 H63 N82 V96V55-E59 HydrophobicContact CG1-CG 4.28Å; V55-E59 WeakPolarHBondContact O-CB 3.44Å; V55-E59 WeakPolarHBondContact O-CG 3.39Å; V55-E59 PolarHBondContact O-N 2.84Å; M56-E59 PolarHBondContact O-N 3.46Å; E59-R62 PolarHBondContact O-N 2.82Å; E59-R62 VanDerWaalsContact OE1-CD 3.25Å; E59-R62 WeakPolarHBondContact OE1-CD 3.49Å; E59-R62 IonicContact OE1-CZ 3.02Å; E59-R62 IonicContact OE1-NE 3.46Å; E59-R62 IonicContact OE1-NH1 3.6Å; E59-R62 PolarHBondContact OE1-NH1 3.43Å; E59-H63 WeakPolarHBondContact O-CB 3.39Å; E59-H63 PolarHBondContact O-N 2.91Å; E59-N82 HydrophobicContact CG-CB 4.08Å; E59-N82 WeakPolarHBondContact OE1-CB 3.34Å; E59-V96 HydrophobicContact CB-CG2 4.27Å
60L97.4Very high92.9Very high0 Ų024.8 Ų24.80%013%0.13CC..Hα-helixtrans-58.5-51.6170.1162.865.2000111.4K14 V18 M56 I57 R62 H63 D64 V96 V125K14-L60 HydrophobicContact CB-CD2 3.82Å; K14-L60 HydrophobicContact CD-CD1 4.49Å; V18-L60 HydrophobicContact CG2-CD2 4.17Å; M56-L60 WeakPolarHBondContact O-CB 3.48Å; M56-L60 PolarHBondContact O-N 3.5Å; I57-L60 WeakPolarHBondContact O-CB 3.4Å; I57-L60 PolarHBondContact O-N 2.93Å; L60-R62 VanDerWaalsContact C-N 3.33Å; L60-R62 PolarHBondContact O-N 3.36Å; L60-H63 PolarHBondContact O-N 3.21Å; L60-D64 PolarHBondContact O-N 2.98Å; L60-V96 HydrophobicContact CB-CG2 4.3Å; L60-V125 HydrophobicContact CB-CG1 4.28Å; L60-V125 HydrophobicContact CD1-CG1 3.92Å; L60-V125 WeakPolarHBondContact CD1-O 3.45Å
61I97.9Very high94.1Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-61.9-45.1179.3-66162.4000109.7V11 A15 I57 Q58 H63 V65 I152 V184 I186V11-I61 HydrophobicContact CB-CG1 4.3Å; V11-I61 HydrophobicContact CG2-CG1 4.21Å; V11-I61 HydrophobicContact CG2-CG2 4.1Å; A15-I61 HydrophobicContact CB-CD1 4.19Å; A15-I61 HydrophobicContact CB-CG1 4.49Å; I57-I61 HydrophobicContact CG2-CD1 3.83Å; I57-I61 VanDerWaalsContact O-CG1 3.3Å; I57-I61 WeakPolarHBondContact O-CG1 3.39Å; I57-I61 PolarHBondContact O-N 2.83Å; Q58-I61 PolarHBondContact O-N 3.49Å; I61-H63 PolarHBondContact O-N 2.67Å; I61-V65 HydrophobicContact CG2-CG2 4.23Å; I61-V65 VanDerWaalsContact O-CB 3.31Å; I61-V65 WeakPolarHBondContact O-CB 3.35Å; I61-V65 WeakPolarHBondContact O-CG2 3.42Å; I61-V65 PolarHBondContact O-N 3.03Å; I61-I152 HydrophobicContact CB-CD1 3.92Å; I61-I152 HydrophobicContact CD1-CG2 3.81Å; I61-I152 HydrophobicContact CG2-CD1 3.51Å; I61-I152 HydrophobicContact CG2-CG1 4.1Å; I61-V184 HydrophobicContact CD1-CG1 4.2Å; I61-I186 HydrophobicContact CD1-CD1 3.76Å; I61-I186 HydrophobicContact CD1-CG1 4.12Å; I61-I186 HydrophobicContact CG1-CD1 4.13Å; I61-I186 HydrophobicContact CG2-CD1 4.05Å
62R97.7Very high95Very high30 Ų3028.9 Ų28.911%0.11315%0.149CC..Hα-helixtrans-57.9-47.4175.7-80.4172.4176161.29.9112Q58 E59 L60 R66 I76 I152Q58-R62 WeakPolarHBondContact O-CB 3.36Å; Q58-R62 WeakPolarHBondContact O-CG 3.49Å; Q58-R62 PolarHBondContact O-N 3.21Å; E59-R62 PolarHBondContact O-N 2.82Å; E59-R62 VanDerWaalsContact OE1-CD 3.25Å; E59-R62 WeakPolarHBondContact OE1-CD 3.49Å; E59-R62 IonicContact OE1-CZ 3.02Å; E59-R62 IonicContact OE1-NE 3.46Å; E59-R62 IonicContact OE1-NH1 3.6Å; E59-R62 PolarHBondContact OE1-NH1 3.43Å; L60-R62 VanDerWaalsContact C-N 3.33Å; L60-R62 PolarHBondContact O-N 3.36Å; R62-R66 WeakPolarHBondContact O-CB 3.21Å; R62-R66 WeakPolarHBondContact O-CD 3.22Å; R62-R66 WeakPolarHBondContact O-CG 3.27Å; R62-R66 PolarHBondContact O-N 3.1Å; R62-I76 HydrophobicContact CG-CB 4.14Å; R62-I76 HydrophobicContact CG-CG2 3.52Å; R62-I76 PolarHBondContact NE-O 2.86Å; R62-I152 HydrophobicContact CG-CD1 4.2Å
63H97.2Very high95.4Very high63 Ų6330.4 Ų30.429%0.29216%0.162SC..Hα-helixtrans-59.8-55.3-178.5173.5-88.9000111.4E59 L60 I61 V65 R66 A67 V96E59-H63 WeakPolarHBondContact O-CB 3.39Å; E59-H63 PolarHBondContact O-N 2.91Å; L60-H63 PolarHBondContact O-N 3.21Å; I61-H63 PolarHBondContact O-N 2.67Å; H63-V65 PolarHBondContact O-N 3.04Å; H63-R66 PolarHBondContact O-N 2.98Å; H63-A67 WeakPolarHBondContact O-CB 3.35Å; H63-A67 PolarHBondContact O-N 2.93Å; H63-V96 HydrophobicContact CB-CB 3.88Å; H63-V96 HydrophobicContact CB-CG1 4.31Å; H63-V96 HydrophobicContact CB-CG2 4.5Å; H63-V96 PolarHBondContact CD2-O 2.93Å; H63-V96 VanDerWaalsContact CD2-O 3.29Å
64D96.9Very high95.8Very high14 Ų1433.2 Ų33.28%0.07519%0.191CC..Hα-helixtrans-68.3-37-174.7-79.521000112R10 V11 K14 L60 Q68R10-D64 IonicContact NH2-OD2 2.97Å; R10-D64 PolarHBondContact NH2-OD2 3.48Å; V11-D64 HydrophobicContact CG1-CB 3.48Å; V11-D64 VanDerWaalsContact CG1-CB 3.48Å; K14-D64 IonicContact NZ-OD2 3.93Å; K14-D64 PolarHBondContact NZ-OD2 3.17Å; L60-D64 PolarHBondContact O-N 2.98Å; D64-Q68 PolarHBondContact O-N 3.4Å
65V96.9Very high96.1Very high0 Ų036.2 Ų36.20%020%0.204CC..Hα-helixtrans-66.7-44.8174.6175.20000111.2L7 L8 I61 H63 A67 Q68 F69 L72 I76 I150L7-V65 HydrophobicContact CD2-CG2 4.26Å; L8-V65 HydrophobicContact CD2-CG2 3.8Å; I61-V65 HydrophobicContact CG2-CG2 4.23Å; I61-V65 VanDerWaalsContact O-CB 3.31Å; I61-V65 WeakPolarHBondContact O-CB 3.35Å; I61-V65 WeakPolarHBondContact O-CG2 3.42Å; I61-V65 PolarHBondContact O-N 3.03Å; H63-V65 PolarHBondContact O-N 3.04Å; V65-A67 VanDerWaalsContact C-N 3.3Å; V65-A67 PolarHBondContact O-N 3.21Å; V65-Q68 PolarHBondContact O-N 2.98Å; V65-F69 WeakPolarHBondContact O-CA 3.46Å; V65-F69 PolarHBondContact O-N 2.91Å; V65-L72 HydrophobicContact CG1-CB 4.43Å; V65-L72 HydrophobicContact CG1-CD1 3.81Å; V65-I76 HydrophobicContact CB-CD1 3.88Å; V65-I76 HydrophobicContact CG1-CD1 3.65Å; V65-I150 HydrophobicContact CG1-CD1 3.96Å
66R96.4Very high96.3Very high98 Ų9836.5 Ų36.537%0.3721%0.206SC..Hα-helixtrans-64.3-34.8178.8-76.3172.4173.4171.6-1.8112.9R62 H63 Q68 A73 I76R62-R66 WeakPolarHBondContact O-CB 3.21Å; R62-R66 WeakPolarHBondContact O-CD 3.22Å; R62-R66 WeakPolarHBondContact O-CG 3.27Å; R62-R66 PolarHBondContact O-N 3.1Å; H63-R66 PolarHBondContact O-N 2.98Å; R66-Q68 VanDerWaalsContact C-N 3.3Å; R66-Q68 PolarHBondContact O-N 2.98Å; R66-A73 HydrophobicContact CG-CB 3.75Å; R66-A73 PolarHBondContact NE-O 3.03Å; R66-A73 VanDerWaalsContact NE-O 3.13Å; R66-A73 PolarHBondContact NH2-O 2.76Å; R66-I76 HydrophobicContact CG-CD1 3.8Å
67A95.8Very high96.5Very high74 Ų7439.1 Ų39.161%0.61222%0.218SC*.Hα-helixtrans-63.4-36.1178.700000112.3H63 V65H63-A67 WeakPolarHBondContact O-CB 3.35Å; H63-A67 PolarHBondContact O-N 2.93Å; V65-A67 VanDerWaalsContact C-N 3.3Å; V65-A67 PolarHBondContact O-N 3.21Å
68Q95.5Very high96.5Very high94 Ų9439.8 Ų39.844%0.43922%0.224SC..Hα-helixtrans-96.4-30.7-179.9-63.4-167.517.900113.9L7 D64 V65 R66L7-Q68 HydrophobicContact CD2-CB 3.79Å; L7-Q68 HydrophobicContact CD2-CG 4.07Å; D64-Q68 PolarHBondContact O-N 3.4Å; V65-Q68 PolarHBondContact O-N 2.98Å; R66-Q68 VanDerWaalsContact C-N 3.3Å; R66-Q68 PolarHBondContact O-N 2.98Å
69F96.1Very high96.3Very high30 Ų3041.9 Ų41.913%0.13223%0.234CC..  trans-129.174.8-177.6-60.7-78.2000110.8D3 L4 L7 V65 E71 L72 P145D3-F69 HydrophobicContact CB-CZ 4.23Å; L4-F69 HydrophobicContact CB-CE2 4.14Å; L4-F69 HydrophobicContact CB-CZ 3.99Å; L4-F69 HydrophobicContact CD1-CD2 3.82Å; L4-F69 HydrophobicContact CD1-CE2 3.83Å; L4-F69 HydrophobicContact CD1-CG 4.43Å; L4-F69 HydrophobicContact CD1-CZ 4.45Å; L7-F69 HydrophobicContact CB-CE2 4.35Å; L7-F69 HydrophobicContact CD2-CD2 3.64Å; L7-F69 HydrophobicContact CD2-CE2 3.57Å; V65-F69 WeakPolarHBondContact O-CA 3.46Å; V65-F69 PolarHBondContact O-N 2.91Å; F69-E71 PolarHBondContact O-N 3.13Å; F69-E71 VanDerWaalsContact O-N 3.12Å; F69-L72 HydrophobicContact CB-CD1 3.72Å; F69-L72 HydrophobicContact CB-CG 4.13Å; F69-L72 HydrophobicContact CG-CD1 4.31Å; F69-L72 WeakPolarHBondContact O-CB 3.39Å; F69-L72 PolarHBondContact O-N 3.01Å; F69-P145 HydrophobicContact CD1-CB 4.08Å; F69-P145 HydrophobicContact CD1-CG 3.71Å; F69-P145 HydrophobicContact CE1-CG 4.11Å
70P95.8Very high96Very high87 Ų8741.9 Ų41.957%0.56523%0.234SC*.G310 helixtrans-58.6-26.6-177.6-25.135.1000113.8L72 A73P70-L72 PolarHBondContact O-N 3.22Å; P70-A73 VanDerWaalsContact O-CB 3.28Å; P70-A73 WeakPolarHBondContact O-CB 3.17Å; P70-A73 PolarHBondContact O-N 3.15Å; P70-A73 VanDerWaalsContact O-N 3.09Å
71E95.3Very high95.6Very high105 Ų10543.8 Ų43.849%0.49125%0.247SC..G310 helixtrans-65.1-21.7179.1-49.398.3151.300112.9F69 A73F69-E71 PolarHBondContact O-N 3.13Å; F69-E71 VanDerWaalsContact O-N 3.12Å; E71-A73 VanDerWaalsContact C-N 3.35Å
72L95.6Very high95.3Very high0 Ų046 Ų460%026%0.259CS..G310 helixtrans-81.1-13.1177.1-67.6174.9000112.9L4 V65 F69 P70 G74 F75 I76 P145 L148 I150L4-L72 HydrophobicContact CD1-CD1 4.08Å; L4-L72 HydrophobicContact CD2-CD1 4.48Å; V65-L72 HydrophobicContact CG1-CB 4.43Å; V65-L72 HydrophobicContact CG1-CD1 3.81Å; F69-L72 HydrophobicContact CB-CD1 3.72Å; F69-L72 HydrophobicContact CB-CG 4.13Å; F69-L72 HydrophobicContact CG-CD1 4.31Å; F69-L72 WeakPolarHBondContact O-CB 3.39Å; F69-L72 PolarHBondContact O-N 3.01Å; P70-L72 PolarHBondContact O-N 3.22Å; L72-G74 VanDerWaalsContact C-N 3.27Å; L72-G74 PolarHBondContact O-N 2.91Å; L72-F75 CarbonylContact O-C 3.59Å; L72-F75 WeakPolarHBondContact O-CA 3.33Å; L72-F75 PolarHBondContact O-N 3.05Å; L72-I76 HydrophobicContact CB-CD1 4.43Å; L72-I76 HydrophobicContact CB-CG1 4.26Å; L72-I76 WeakPolarHBondContact O-CG1 3.41Å; L72-I76 PolarHBondContact O-N 3.18Å; L72-P145 WeakPolarHBondContact CD2-O 3.49Å; L72-P145 HydrophobicContact CG-CB 4.34Å; L72-L148 HydrophobicContact CD2-CB 3.88Å; L72-L148 WeakPolarHBondContact CD2-O 3.3Å; L72-I150 HydrophobicContact CD1-CD1 4.02Å
73A93.3Very high94.8Very high33 Ų3350.2 Ų50.227%0.27328%0.278SS..G310 helixtrans-54.5-38.4-164.700000114.8R66 P70 E71 F75R66-A73 HydrophobicContact CG-CB 3.75Å; R66-A73 PolarHBondContact NE-O 3.03Å; R66-A73 VanDerWaalsContact NE-O 3.13Å; R66-A73 PolarHBondContact NH2-O 2.76Å; P70-A73 VanDerWaalsContact O-CB 3.28Å; P70-A73 WeakPolarHBondContact O-CB 3.17Å; P70-A73 PolarHBondContact O-N 3.15Å; P70-A73 VanDerWaalsContact O-N 3.09Å; E71-A73 VanDerWaalsContact C-N 3.35Å; A73-F75 VanDerWaalsContact C-N 3.33Å
74G95.1Very high94.1Very high58 Ų5847.5 Ų47.560%0.59827%0.266SS*.G310 helixtrans-81.6-4.3177.700000115.4L72L72-G74 VanDerWaalsContact C-N 3.27Å; L72-G74 PolarHBondContact O-N 2.91Å
75F97.1Very high93.4Very high63 Ų6352.1 Ų52.128%0.27629%0.287SS..G310 helixtrans-125.517.2-171.8-56.4-74.3000113L72 A73 G149 I150 R191L72-F75 CarbonylContact O-C 3.59Å; L72-F75 WeakPolarHBondContact O-CA 3.33Å; L72-F75 PolarHBondContact O-N 3.05Å; A73-F75 VanDerWaalsContact C-N 3.33Å; F75-G149 CarbonylContact O-C 3.57Å; F75-G149 WeakPolarHBondContact O-CA 3.23Å; F75-I150 PolarHBondContact O-N 2.8Å; F75-R191 VanDerWaalsContact CE1-CZ 3.43Å; F75-R191 VanDerWaalsContact CE2-CZ 3.41Å; F75-R191 VanDerWaalsContact CE2-NH1 3.35Å
76I97.7Very high92.5Very high6 Ų652.7 Ų52.73%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-96100.9169.2-52.1172.9000108.4R62 V65 R66 L72 I150 I152R62-I76 HydrophobicContact CG-CB 4.14Å; R62-I76 HydrophobicContact CG-CG2 3.52Å; R62-I76 PolarHBondContact NE-O 2.86Å; V65-I76 HydrophobicContact CB-CD1 3.88Å; V65-I76 HydrophobicContact CG1-CD1 3.65Å; R66-I76 HydrophobicContact CG-CD1 3.8Å; L72-I76 HydrophobicContact CB-CD1 4.43Å; L72-I76 HydrophobicContact CB-CG1 4.26Å; L72-I76 WeakPolarHBondContact O-CG1 3.41Å; L72-I76 PolarHBondContact O-N 3.18Å; I76-I150 HydrophobicContact CG1-CB 4.42Å; I76-I150 HydrophobicContact CG1-CD1 4.38Å; I76-I150 HydrophobicContact CG2-CB 4.24Å; I76-I150 HydrophobicContact CG2-CG2 4.21Å; I76-I152 HydrophobicContact CG2-CD1 3.43Å; I76-I152 VanDerWaalsContact CG2-CD1 3.43Å; I76-I152 HydrophobicContact CG2-CG1 4.25Å
77H97.3Very high91.4Very high56 Ų5651 Ų5126%0.25930%0.303SS..EExtended strand (participates in β ladder)trans-103.5163.6177.1-49.1-66.9000110I150 W151 I152H77-I150 PolarHBondContact N-O 3.27Å; H77-W151 HydrophobicContact CB-CD2 3.94Å; H77-W151 HydrophobicContact CB-CE3 3.46Å; H77-W151 VanDerWaalsContact CB-CE3 3.46Å; H77-W151 HydrophobicContact CB-CH2 3.53Å; H77-W151 HydrophobicContact CB-CZ2 3.99Å; H77-W151 HydrophobicContact CB-CZ3 3.25Å; H77-W151 CarbonylContact O-C 3.58Å; H77-W151 WeakPolarHBondContact O-CA 3.26Å; H77-I152 PolarHBondContact O-N 3.42Å
78G95.5Very high90.5Very high13 Ų1353.8 Ų53.813%0.13431%0.307CS..EExtended strand (participates in β ladder)trans-170.7177.6174.800000110.8I152G78-I152 WeakPolarHBondContact CA-O 3.3Å
79E93.6Very high89.7Confident44 Ų4451.4 Ų51.421%0.20631%0.307CS..SBendtrans-60.6-43.5-177.6-176.5175.9-171.100112.7K36 Q58 I152 W300K36-E79 IonicContact NZ-OE1 3.26Å; K36-E79 PolarHBondContact NZ-OE1 2.92Å; Q58-E79 VanDerWaalsContact OE1-N 3.1Å; E79-I152 PolarHBondContact N-O 3.28Å; E79-I152 VanDerWaalsContact N-O 3.12Å; E79-W300 HydrophobicContact CB-CD2 3.97Å; E79-W300 HydrophobicContact CB-CG 4.01Å; E79-W300 HydrophobicContact CB-CZ2 4.29Å; E79-W300 HydrophobicContact CG-CD2 4.49Å; E79-W300 HydrophobicContact CG-CZ2 3.99Å
80E91.5Very high89.2Confident11 Ų1155.4 Ų55.45%0.05133%0.327CS..  trans-92.4142.6-163.5-68-57.1149.900114.2K36 K50 D54 Q58 P154K36-E80 WeakPolarHBondContact CE-OE1 3.17Å; K36-E80 IonicContact NZ-OE1 3.76Å; K36-E80 PolarHBondContact NZ-OE1 3.2Å; K50-E80 WeakPolarHBondContact CD-OE2 3.4Å; K50-E80 WeakPolarHBondContact CE-OE2 3.44Å; K50-E80 VanDerWaalsContact CG-OE2 3.28Å; K50-E80 WeakPolarHBondContact CG-OE2 3.4Å; K50-E80 IonicContact NZ-OE2 3.96Å; D54-E80 HydrophobicContact CB-CG 3.7Å; Q58-E80 PolarHBondContact NE2-O 3.31Å; E80-P154 HydrophobicContact CG-CG 4Å
81S90.6Very high88.7Confident40 Ų4055.1 Ų55.128%0.2833%0.326SS..  trans-71.3140.6159.2175.10000109.8K50 K83K50-S81 PolarHBondContact NZ-O 2.95Å; S81-K83 PolarHBondContact O-N 2.98Å; S81-K83 PolarHBondContact OG-N 3.39Å
82N89.7Confident88.4Confident47 Ų4751.2 Ų51.225%0.25131%0.31SS..SBendtrans-80.45.5174.373.8-25.7000113.4E59 T93 V94E59-N82 HydrophobicContact CG-CB 4.08Å; E59-N82 WeakPolarHBondContact OE1-CB 3.34Å; N82-T93 VanDerWaalsContact ND2-CG2 3.34Å; N82-T93 WeakPolarHBondContact ND2-CG2 3.31Å; N82-V94 PolarHBondContact O-N 2.68Å
83K88.6Confident88.3Confident118 Ų11854.5 Ų54.551%0.51333%0.33SS..EExtended strand (participates in β ladder)trans-88.1137.2171.2-63.9-173.9178.2-177.10110.6K50 S81 V92K50-K83 PolarHBondContact NZ-O 3.4Å; S81-K83 PolarHBondContact O-N 2.98Å; S81-K83 PolarHBondContact OG-N 3.39Å; K83-V92 WeakPolarHBondContact CA-O 3.36Å
84F82.7Confident88.2Confident7 Ų752.9 Ų52.93%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-135.3138.1176.2-160.5-91000109.2Q34 L52 V55 V92 V94 V110Q34-F84 HydrophobicContact CG-CE1 4.44Å; Q34-F84 HydrophobicContact CG-CE2 4.19Å; Q34-F84 HydrophobicContact CG-CZ 3.74Å; L52-F84 HydrophobicContact CB-CD2 4.24Å; L52-F84 HydrophobicContact CB-CE1 4.37Å; L52-F84 HydrophobicContact CB-CE2 3.67Å; L52-F84 HydrophobicContact CB-CZ 3.72Å; L52-F84 HydrophobicContact CD1-CD2 4.23Å; L52-F84 HydrophobicContact CD1-CE2 4.48Å; L52-F84 HydrophobicContact CD1-CG 4.3Å; V55-F84 HydrophobicContact CG2-CD2 4.25Å; F84-V92 PolarHBondContact N-O 2.77Å; F84-V92 PolarHBondContact O-N 3.32Å; F84-V94 HydrophobicContact CB-CG2 3.67Å; F84-V110 HydrophobicContact CB-CG1 4.28Å; F84-V110 HydrophobicContact CD1-CG1 3.46Å; F84-V110 VanDerWaalsContact CD1-CG1 3.46Å; F84-V110 HydrophobicContact CE1-CG1 4.04Å; F84-V110 HydrophobicContact CG-CG1 4.08Å
85E81.1Confident88.2Confident111 Ų11152.6 Ų52.652%0.51930%0.303SS..EExtended strand (participates in β ladder)trans-93.4127.2177.2-167.1173.2126.800109Q34 E90Q34-E85 PolarHBondContact NE2-O 3.45Å; E85-E90 WeakPolarHBondContact CA-O 3.5Å
86N78.1Confident88.1Confident12 Ų1250.2 Ų50.26%0.06429%0.294CS..  trans-81.1177.1176.270.37.8000111.4L88 G89 E90 T109N86-L88 PolarHBondContact O-N 3.35Å; N86-L88 VanDerWaalsContact O-N 3.07Å; N86-L88 WeakPolarHBondContact OD1-CA 2.93Å; N86-L88 WeakPolarHBondContact OD1-CB 3.43Å; N86-L88 PolarHBondContact OD1-N 2.56Å; N86-G89 PolarHBondContact O-N 2.81Å; N86-G89 PolarHBondContact OD1-N 3.46Å; N86-E90 PolarHBondContact N-O 3.5Å; N86-E90 PolarHBondContact ND2-OE2 2.64Å; N86-E90 VanDerWaalsContact ND2-OE2 3.16Å; N86-E90 WeakPolarHBondContact OD1-CB 3.46Å; N86-E90 PolarHBondContact OD1-N 2.97Å; N86-E90 PolarHBondContact OD1-O 3.37Å; N86-T109 PolarHBondContact ND2-O 2.85Å
87G73Confident88Confident61 Ų6151.3 Ų51.363%0.62930%0.302SS*.THydrogen-bonded Turntrans-65.7-9.918000000114.6D112G87-D112 WeakPolarHBondContact CA-OD1 3.22Å; G87-D112 VanDerWaalsContact CA-OD2 3.28Å; G87-D112 WeakPolarHBondContact CA-OD2 3.35Å; G87-D112 PolarHBondContact N-OD1 2.83Å; G87-D112 PolarHBondContact N-OD2 3.47Å
88L77.4Confident87.9Confident134 Ų13453.1 Ų53.170%0.70232%0.321SS*.THydrogen-bonded Turntrans-92.2-2.6174.1-56.5176.7000113.1N86 E90N86-L88 PolarHBondContact O-N 3.35Å; N86-L88 VanDerWaalsContact O-N 3.07Å; N86-L88 WeakPolarHBondContact OD1-CA 2.93Å; N86-L88 WeakPolarHBondContact OD1-CB 3.43Å; N86-L88 PolarHBondContact OD1-N 2.56Å; L88-E90 VanDerWaalsContact C-N 3.34Å; L88-E90 HydrophobicContact CB-CG 4.23Å
89G79.7Confident87.9Confident44 Ų4455 Ų5545%0.45433%0.329SS..SBendtrans80.812.4-175.900000114N86N86-G89 PolarHBondContact O-N 2.81Å; N86-G89 PolarHBondContact OD1-N 3.46Å
90E84.1Confident88.1Confident114 Ų11456.2 Ų56.253%0.53334%0.335SS..  trans-87.9130.5178.7-56.5177.6143.900110.5E85 N86 L88 V92E85-E90 WeakPolarHBondContact CA-O 3.5Å; N86-E90 PolarHBondContact N-O 3.5Å; N86-E90 PolarHBondContact ND2-OE2 2.64Å; N86-E90 VanDerWaalsContact ND2-OE2 3.16Å; N86-E90 WeakPolarHBondContact OD1-CB 3.46Å; N86-E90 PolarHBondContact OD1-N 2.97Å; N86-E90 PolarHBondContact OD1-O 3.37Å; L88-E90 VanDerWaalsContact C-N 3.34Å; L88-E90 HydrophobicContact CB-CG 4.23Å; E90-V92 PolarHBondContact O-N 3.07Å
91S86.8Confident88.4Confident80 Ų8062.3 Ų62.356%0.55936%0.364SS*.EExtended strand (participates in β ladder)trans-81.7111.2175.2-168.90000110.7
92V87.6Confident88.7Confident23 Ų2364.8 Ų64.814%0.13937%0.371CS..EExtended strand (participates in β ladder)trans-102.1136.7177.1-1740000109.6K83 F84 E90 V94 L106 V110K83-V92 WeakPolarHBondContact CA-O 3.36Å; F84-V92 PolarHBondContact N-O 2.77Å; F84-V92 PolarHBondContact O-N 3.32Å; E90-V92 PolarHBondContact O-N 3.07Å; V92-V94 PolarHBondContact O-N 3.07Å; V92-L106 HydrophobicContact CG1-CD1 4.12Å; V92-V110 HydrophobicContact CB-CG2 4.07Å; V92-V110 HydrophobicContact CG1-CG2 3.71Å
93T93Very high89.1Confident69 Ų6962.5 Ų62.542%0.42336%0.359SS..EExtended strand (participates in β ladder)trans-86.8109.6171.5-570000109N82 T95N82-T93 VanDerWaalsContact ND2-CG2 3.34Å; N82-T93 WeakPolarHBondContact ND2-CG2 3.31Å; T93-T95 HydrophobicContact CG2-CG2 4.27Å
94V91.8Very high89.4Confident0 Ų057.6 Ų57.60%034%0.34CS..  trans-78.3130.3179.2-176.30000109.1L52 V55 M56 N82 F84 V92 L107 V110L52-V94 HydrophobicContact CD1-CG1 4.32Å; L52-V94 HydrophobicContact CD1-CG2 4.13Å; V55-V94 HydrophobicContact CG1-CB 3.61Å; V55-V94 HydrophobicContact CG1-CG1 3.77Å; V55-V94 HydrophobicContact CG1-CG2 4.06Å; M56-V94 HydrophobicContact CG-CG1 4.48Å; M56-V94 HydrophobicContact SD-CG1 3.2Å; M56-V94 WeakPolarHBondContact SD-CG1 3.27Å; N82-V94 PolarHBondContact O-N 2.68Å; F84-V94 HydrophobicContact CB-CG2 3.67Å; V92-V94 PolarHBondContact O-N 3.07Å; V94-L107 HydrophobicContact CG1-CD2 4.47Å; V94-V110 HydrophobicContact CG2-CG1 4.5Å; V94-V110 HydrophobicContact CG2-CG2 4.11Å
95T94.6Very high90.1Very high51 Ų5165 Ų6531%0.31337%0.372SS..  trans-146.3157.2176.557.60000109.6T93 L106T93-T95 HydrophobicContact CG2-CG2 4.27Å; T95-L106 WeakPolarHBondContact O-CD2 3.49Å; T95-L106 WeakPolarHBondContact OG1-CD2 3.47Å
96V96.2Very high90.8Very high14 Ų1461.4 Ų61.49%0.08536%0.356CS..  trans-89.4122.2166.2-179.60000108M56 E59 L60 H63 V125M56-V96 HydrophobicContact CE-CG2 4.08Å; E59-V96 HydrophobicContact CB-CG2 4.27Å; L60-V96 HydrophobicContact CB-CG2 4.3Å; H63-V96 HydrophobicContact CB-CB 3.88Å; H63-V96 HydrophobicContact CB-CG1 4.31Å; H63-V96 HydrophobicContact CB-CG2 4.5Å; H63-V96 PolarHBondContact CD2-O 2.93Å; H63-V96 VanDerWaalsContact CD2-O 3.29Å; V96-V125 HydrophobicContact CB-CG1 4.26Å; V96-V125 HydrophobicContact CG1-CG1 3.59Å; V96-V125 HydrophobicContact CG2-CG1 3.6Å
97C96.3Very high91.4Very high29 Ų2960.9 Ų60.920%0.19635%0.353CS..  trans-86.1174.8179.7-57.30000111.6T99 E102 T103 H126C97-T99 VanDerWaalsContact C-N 3.27Å; C97-T99 PolarHBondContact O-N 3.08Å; C97-E102 HydrophobicContact CB-CB 3.45Å; C97-E102 VanDerWaalsContact CB-CB 3.45Å; C97-T103 PolarHBondContact N-OG1 3.35Å; C97-H126 PolarHBondContact O-CE1 3.3Å
98S93.9Very high92.2Very high93 Ų9358.7 Ų58.765%0.6533%0.33SS*.SBendtrans-68.3-25.2-176.671.50000114E102S98-E102 PolarHBondContact OG-OE2 3.11Å
99T96.4Very high92.8Very high52 Ų5255.7 Ų55.732%0.31932%0.317SS..SBendtrans-127.9156.6-17959.30000111.4C97 E101 E102 T103 H126C97-T99 VanDerWaalsContact C-N 3.27Å; C97-T99 PolarHBondContact O-N 3.08Å; T99-E101 VanDerWaalsContact C-N 3.3Å; T99-E101 PolarHBondContact O-N 2.8Å; T99-E102 PolarHBondContact N-OE2 3.07Å; T99-E102 PolarHBondContact O-N 3.1Å; T99-E102 WeakPolarHBondContact OG1-CB 3.47Å; T99-E102 WeakPolarHBondContact OG1-CG 3.49Å; T99-E102 PolarHBondContact OG1-N 2.93Å; T99-E102 PolarHBondContact OG1-OE2 3.12Å; T99-T103 PolarHBondContact O-N 2.74Å; T99-T103 VanDerWaalsContact O-N 3.13Å; T99-T103 PolarHBondContact O-OG1 3.06Å; T99-H126 VanDerWaalsContact C-CE1 3.48Å; T99-H126 VanDerWaalsContact C-NE2 3.35Å; T99-H126 PolarHBondContact O-NE2 3.22Å; T99-H126 VanDerWaalsContact O-NE2 3.11Å
100E97.1Very high93.1Very high70 Ų7053.8 Ų53.833%0.32730%0.297SS..Hα-helixtrans-60-42.3176.5-174.7179.9139.300111.1E102 T103 A104 A122 R123 H126E100-E102 PolarHBondContact O-N 3.48Å; E100-T103 PolarHBondContact O-N 3.02Å; E100-A104 WeakPolarHBondContact O-CB 3.44Å; E100-A104 PolarHBondContact O-N 3.06Å; E100-A122 HydrophobicContact CG-CB 4.07Å; E100-R123 WeakPolarHBondContact OE1-CB 3.4Å; E100-H126 VanDerWaalsContact CA-CD2 3.42Å; E100-H126 WeakPolarHBondContact CA-CD2 3.29Å; E100-H126 HydrophobicContact CB-CB 4.26Å; E100-H126 HydrophobicContact CG-CB 4.48Å
101E97.5Very high93.1Very high139 Ų13949 Ų4965%0.6527%0.274SS*.Hα-helixtrans-64.7-40.2-178.7-63.979.1-175.300112.4T99 A104 K105T99-E101 VanDerWaalsContact C-N 3.3Å; T99-E101 PolarHBondContact O-N 2.8Å; E101-A104 PolarHBondContact O-N 2.95Å; E101-K105 WeakPolarHBondContact O-CB 3.36Å; E101-K105 PolarHBondContact O-N 3.25Å
102E97.6Very high93Very high92 Ų9249.7 Ų49.743%0.4327%0.272SS..Hα-helixtrans-67.1-43.8176-73.6171.4154.500111.5C97 S98 T99 E100 A104 K105 L106C97-E102 HydrophobicContact CB-CB 3.45Å; C97-E102 VanDerWaalsContact CB-CB 3.45Å; S98-E102 PolarHBondContact OG-OE2 3.11Å; T99-E102 PolarHBondContact N-OE2 3.07Å; T99-E102 PolarHBondContact O-N 3.1Å; T99-E102 WeakPolarHBondContact OG1-CB 3.47Å; T99-E102 WeakPolarHBondContact OG1-CG 3.49Å; T99-E102 PolarHBondContact OG1-N 2.93Å; T99-E102 PolarHBondContact OG1-OE2 3.12Å; E100-E102 PolarHBondContact O-N 3.48Å; E102-A104 VanDerWaalsContact C-N 3.34Å; E102-A104 PolarHBondContact O-N 3.21Å; E102-K105 PolarHBondContact O-N 2.8Å; E102-L106 PolarHBondContact O-N 2.77Å
103T97.3Very high92.8Very high0 Ų050.9 Ų50.90%029%0.289CS..Hα-helixtrans-61.4-45175.2-62.30000110.3M56 C97 T99 E100 K105 L106 L107 A122 H126M56-T103 HydrophobicContact CE-CG2 4.36Å; C97-T103 PolarHBondContact N-OG1 3.35Å; T99-T103 PolarHBondContact O-N 2.74Å; T99-T103 VanDerWaalsContact O-N 3.13Å; T99-T103 PolarHBondContact O-OG1 3.06Å; E100-T103 PolarHBondContact O-N 3.02Å; T103-K105 VanDerWaalsContact C-N 3.31Å; T103-K105 PolarHBondContact O-N 3.05Å; T103-L106 PolarHBondContact O-N 3.2Å; T103-L107 HydrophobicContact CG2-CD1 3.89Å; T103-L107 HydrophobicContact CG2-CG 4.25Å; T103-L107 WeakPolarHBondContact O-CB 3.28Å; T103-L107 VanDerWaalsContact O-CG 3.3Å; T103-L107 WeakPolarHBondContact O-CG 3.42Å; T103-L107 PolarHBondContact O-N 3.23Å; T103-A122 HydrophobicContact CG2-CB 3.92Å; T103-H126 PolarHBondContact OG1-NE2 3.09Å
104A96.1Very high92.4Very high14 Ų1450.1 Ų50.112%0.11628%0.283CS..Hα-helixtrans-60.7-40.7177.400000111.9E100 E101 E102 L107 A108 A118 A122E100-A104 WeakPolarHBondContact O-CB 3.44Å; E100-A104 PolarHBondContact O-N 3.06Å; E101-A104 PolarHBondContact O-N 2.95Å; E102-A104 VanDerWaalsContact C-N 3.34Å; E102-A104 PolarHBondContact O-N 3.21Å; A104-L107 PolarHBondContact O-N 3.34Å; A104-A108 WeakPolarHBondContact O-CB 3.46Å; A104-A108 PolarHBondContact O-N 3.34Å; A104-A118 WeakPolarHBondContact O-CB 3.48Å; A104-A122 HydrophobicContact CB-CB 3.69Å
105K96.8Very high92.3Very high163 Ų16359.4 Ų59.471%0.70932%0.318SS*.Hα-helixtrans-63.4-42.8176.9-174.4-179.2177.2-174.90112.1E101 E102 T103E101-K105 WeakPolarHBondContact O-CB 3.36Å; E101-K105 PolarHBondContact O-N 3.25Å; E102-K105 PolarHBondContact O-N 2.8Å; T103-K105 VanDerWaalsContact C-N 3.31Å; T103-K105 PolarHBondContact O-N 3.05Å
106L94.6Very high92Very high36 Ų3662.5 Ų62.519%0.18834%0.337CS..Hα-helixtrans-63.8-48.4175.3179.166.6000110.8V92 T95 E102 T103 A108 T109 V110V92-L106 HydrophobicContact CG1-CD1 4.12Å; T95-L106 WeakPolarHBondContact O-CD2 3.49Å; T95-L106 WeakPolarHBondContact OG1-CD2 3.47Å; E102-L106 PolarHBondContact O-N 2.77Å; T103-L106 PolarHBondContact O-N 3.2Å; L106-A108 VanDerWaalsContact C-N 3.26Å; L106-A108 PolarHBondContact O-N 3.16Å; L106-T109 WeakPolarHBondContact O-CB 3.43Å; L106-T109 PolarHBondContact O-N 3.33Å; L106-T109 PolarHBondContact O-OG1 3.2Å; L106-V110 PolarHBondContact O-N 2.79Å
107L91.1Very high91.5Very high0 Ų062.1 Ų62.10%034%0.335CS..Hα-helixtrans-62.9-32.7-179.3-68.2178.5000112.8M56 V94 T103 A104 T109 V110 L111 A118 L121 A122M56-L107 HydrophobicContact CE-CD1 4.1Å; M56-L107 HydrophobicContact CE-CD2 4.09Å; M56-L107 HydrophobicContact CG-CD2 4.34Å; M56-L107 HydrophobicContact SD-CD2 3.51Å; M56-L107 VanDerWaalsContact SD-CD2 3.51Å; V94-L107 HydrophobicContact CG1-CD2 4.47Å; T103-L107 HydrophobicContact CG2-CD1 3.89Å; T103-L107 HydrophobicContact CG2-CG 4.25Å; T103-L107 WeakPolarHBondContact O-CB 3.28Å; T103-L107 VanDerWaalsContact O-CG 3.3Å; T103-L107 WeakPolarHBondContact O-CG 3.42Å; T103-L107 PolarHBondContact O-N 3.23Å; A104-L107 PolarHBondContact O-N 3.34Å; L107-T109 PolarHBondContact O-N 3.3Å; L107-V110 WeakPolarHBondContact O-CB 2.93Å; L107-V110 PolarHBondContact O-N 3.13Å; L107-L111 HydrophobicContact CB-CD1 4.48Å; L107-L111 WeakPolarHBondContact O-CB 3.41Å; L107-L111 WeakPolarHBondContact O-CG 3.23Å; L107-L111 PolarHBondContact O-N 3.4Å; L107-A118 HydrophobicContact CB-CB 3.7Å; L107-L121 HydrophobicContact CD1-CB 3.72Å; L107-A122 HydrophobicContact CD1-CB 4.33Å
108A90.9Very high91.2Very high16 Ų1660.8 Ų60.813%0.13233%0.326CS..Hα-helixtrans-61.6-28.7173.600000112.4A104 L106 G113 R115 A118A104-A108 WeakPolarHBondContact O-CB 3.46Å; A104-A108 PolarHBondContact O-N 3.34Å; L106-A108 VanDerWaalsContact C-N 3.26Å; L106-A108 PolarHBondContact O-N 3.16Å; A108-G113 VanDerWaalsContact O-CA 3.26Å; A108-G113 WeakPolarHBondContact O-CA 3.15Å; A108-G113 PolarHBondContact O-N 2.99Å; A108-R115 HydrophobicContact CB-CG 4.43Å; A108-A118 HydrophobicContact CB-CB 3.96Å; A108-A118 VanDerWaalsContact N-CB 3.35Å
109T89.3Confident91.1Very high71 Ų7159 Ų5944%0.43631%0.314SS..Hα-helixtrans-76.7-27.7173.668.20000113.3N86 L106 L107N86-T109 PolarHBondContact ND2-O 2.85Å; L106-T109 WeakPolarHBondContact O-CB 3.43Å; L106-T109 PolarHBondContact O-N 3.33Å; L106-T109 PolarHBondContact O-OG1 3.2Å; L107-T109 PolarHBondContact O-N 3.3Å
110V86Confident90.9Very high4 Ų457.8 Ų57.82%0.02431%0.305CS..Hα-helixtrans-77-34.6176.9-1780000110.6L52 F84 V92 V94 L106 L107L52-V110 HydrophobicContact CD1-CG1 3.91Å; L52-V110 HydrophobicContact CD2-CG1 3.94Å; F84-V110 HydrophobicContact CB-CG1 4.28Å; F84-V110 HydrophobicContact CD1-CG1 3.46Å; F84-V110 VanDerWaalsContact CD1-CG1 3.46Å; F84-V110 HydrophobicContact CE1-CG1 4.04Å; F84-V110 HydrophobicContact CG-CG1 4.08Å; V92-V110 HydrophobicContact CB-CG2 4.07Å; V92-V110 HydrophobicContact CG1-CG2 3.71Å; V94-V110 HydrophobicContact CG2-CG1 4.5Å; V94-V110 HydrophobicContact CG2-CG2 4.11Å; L106-V110 PolarHBondContact O-N 2.79Å; L107-V110 WeakPolarHBondContact O-CB 2.93Å; L107-V110 PolarHBondContact O-N 3.13Å
111L84.5Confident90.6Very high12 Ų1254.4 Ų54.46%0.06329%0.289CS..THydrogen-bonded Turntrans-99.633.7-175.5-65167.7000112.7L31 L32 L52 L107 G113 D114 A117 A118 L121L31-L111 HydrophobicContact CB-CD2 4.45Å; L32-L111 HydrophobicContact CD2-CD2 4.47Å; L52-L111 HydrophobicContact CD2-CD1 4.32Å; L52-L111 HydrophobicContact CD2-CD2 3.63Å; L52-L111 HydrophobicContact CD2-CG 3.97Å; L107-L111 HydrophobicContact CB-CD1 4.48Å; L107-L111 WeakPolarHBondContact O-CB 3.41Å; L107-L111 WeakPolarHBondContact O-CG 3.23Å; L107-L111 PolarHBondContact O-N 3.4Å; L111-G113 PolarHBondContact O-N 2.81Å; L111-D114 HydrophobicContact CB-CB 4.23Å; L111-D114 WeakPolarHBondContact O-CB 3.45Å; L111-D114 PolarHBondContact O-N 2.87Å; L111-A117 HydrophobicContact CD1-CB 3.91Å; L111-A118 HydrophobicContact CD1-CB 4.18Å; L111-L121 HydrophobicContact CD1-CD1 4.09Å
112D83.8Confident90.4Very high95 Ų9547.8 Ų47.851%0.50826%0.258SS..THydrogen-bonded Turntrans50.734174-56.7-38.7000115.2G87G87-D112 WeakPolarHBondContact CA-OD1 3.22Å; G87-D112 VanDerWaalsContact CA-OD2 3.28Å; G87-D112 WeakPolarHBondContact CA-OD2 3.35Å; G87-D112 PolarHBondContact N-OD1 2.83Å; G87-D112 PolarHBondContact N-OD2 3.47Å
113G84.3Confident90.3Very high49 Ų4949.7 Ų49.751%0.50526%0.261SS..THydrogen-bonded Turntrans89.92.9-179.900000115.5A108 L111 R115A108-G113 VanDerWaalsContact O-CA 3.26Å; A108-G113 WeakPolarHBondContact O-CA 3.15Å; A108-G113 PolarHBondContact O-N 2.99Å; L111-G113 PolarHBondContact O-N 2.81Å; G113-R115 PolarHBondContact O-N 2.84Å
114D84.7Confident90Very high53 Ų5349.9 Ų49.928%0.28326%0.263SS..  trans-7091.2175.4-169.7-19.6000111.4L111 T116 A117 A118L111-D114 HydrophobicContact CB-CB 4.23Å; L111-D114 WeakPolarHBondContact O-CB 3.45Å; L111-D114 PolarHBondContact O-N 2.87Å; D114-T116 VanDerWaalsContact C-N 3.28Å; D114-T116 PolarHBondContact O-N 3.47Å; D114-T116 WeakPolarHBondContact OD1-CB 3.46Å; D114-T116 PolarHBondContact OD1-N 2.97Å; D114-A117 HydrophobicContact CB-CB 4.15Å; D114-A117 VanDerWaalsContact CG-CB 3.48Å; D114-A117 PolarHBondContact OD1-N 3.24Å; D114-A117 WeakPolarHBondContact OD2-CB 3.03Å; D114-A118 WeakPolarHBondContact O-CB 3.27Å; D114-A118 PolarHBondContact O-N 2.94Å
115R90.2Very high89.9Confident195 Ų19549.2 Ų49.274%0.73626%0.257SS*.Hα-helixtrans-68.6-26.1179.1-63.4-173.1-178.5-156.2-0.1113.1A108 G113 S119A108-R115 HydrophobicContact CB-CG 4.43Å; G113-R115 PolarHBondContact O-N 2.84Å; R115-S119 VanDerWaalsContact O-CB 3.27Å; R115-S119 WeakPolarHBondContact O-CB 3.36Å; R115-S119 PolarHBondContact O-N 2.68Å; R115-S119 PolarHBondContact O-OG 3.44Å
116T88.4Confident89.9Confident116 Ų11643.8 Ų43.871%0.71223%0.234SC*.Hα-helixtrans-72.3-52.3-178.3-56.80000109.2D114 A118 S119 L120D114-T116 VanDerWaalsContact C-N 3.28Å; D114-T116 PolarHBondContact O-N 3.47Å; D114-T116 WeakPolarHBondContact OD1-CB 3.46Å; D114-T116 PolarHBondContact OD1-N 2.97Å; T116-A118 VanDerWaalsContact C-N 3.34Å; T116-A118 PolarHBondContact O-N 2.9Å; T116-S119 PolarHBondContact O-N 2.75Å; T116-L120 WeakPolarHBondContact O-CB 3.48Å; T116-L120 PolarHBondContact O-N 3.43Å
117A84.5Confident89.8Confident6 Ų647.2 Ų47.25%0.0525%0.249CC..Hα-helixtrans-60-44.7175.700000111.5L28 L111 D114 S119 L120 L121L28-A117 HydrophobicContact CD1-CB 4.38Å; L28-A117 HydrophobicContact CD2-CB 3.72Å; L28-A117 HydrophobicContact CG-CB 3.79Å; L111-A117 HydrophobicContact CD1-CB 3.91Å; D114-A117 HydrophobicContact CB-CB 4.15Å; D114-A117 VanDerWaalsContact CG-CB 3.48Å; D114-A117 PolarHBondContact OD1-N 3.24Å; D114-A117 WeakPolarHBondContact OD2-CB 3.03Å; A117-S119 PolarHBondContact O-N 3.14Å; A117-L120 PolarHBondContact O-N 3.1Å; A117-L121 PolarHBondContact O-N 3Å
118A89.8Confident89.6Confident0 Ų051.6 Ų51.60%027%0.273CS..Hα-helixtrans-61-45.5178.100000113.2A104 L107 A108 L111 D114 T116 L120 A122A104-A118 WeakPolarHBondContact O-CB 3.48Å; L107-A118 HydrophobicContact CB-CB 3.7Å; A108-A118 HydrophobicContact CB-CB 3.96Å; A108-A118 VanDerWaalsContact N-CB 3.35Å; L111-A118 HydrophobicContact CD1-CB 4.18Å; D114-A118 WeakPolarHBondContact O-CB 3.27Å; D114-A118 PolarHBondContact O-N 2.94Å; T116-A118 VanDerWaalsContact C-N 3.34Å; T116-A118 PolarHBondContact O-N 2.9Å; A118-L120 VanDerWaalsContact C-N 3.35Å; A118-A122 VanDerWaalsContact O-CB 3.27Å; A118-A122 WeakPolarHBondContact O-CB 3.22Å; A118-A122 PolarHBondContact O-N 3.46Å
119S93.1Very high89.3Confident57 Ų5751.9 Ų51.940%0.39927%0.273SS..Hα-helixtrans-66.6-38.6178.7-56.20000111.4R115 T116 A117 A122 R123R115-S119 VanDerWaalsContact O-CB 3.27Å; R115-S119 WeakPolarHBondContact O-CB 3.36Å; R115-S119 PolarHBondContact O-N 2.68Å; R115-S119 PolarHBondContact O-OG 3.44Å; T116-S119 PolarHBondContact O-N 2.75Å; A117-S119 PolarHBondContact O-N 3.14Å; S119-A122 PolarHBondContact O-N 2.98Å; S119-R123 WeakPolarHBondContact O-CB 3.48Å; S119-R123 PolarHBondContact O-N 3.19Å
120L90.9Very high88.7Confident25 Ų2552.8 Ų52.813%0.13129%0.288CS..Hα-helixtrans-65-45.2179.2-174.660.9000112.2I21 E25 L28 T116 A117 A118 A124I21-L120 HydrophobicContact CG2-CD1 4.44Å; I21-L120 HydrophobicContact CG2-CD2 4.17Å; I21-L120 HydrophobicContact CG2-CG 4.01Å; E25-L120 HydrophobicContact CB-CD2 4.2Å; E25-L120 HydrophobicContact CG-CD2 3.46Å; E25-L120 VanDerWaalsContact CG-CD2 3.46Å; L28-L120 HydrophobicContact CD1-CB 4.22Å; L28-L120 HydrophobicContact CD1-CD2 3.34Å; L28-L120 HydrophobicContact CD1-CG 4.12Å; T116-L120 WeakPolarHBondContact O-CB 3.48Å; T116-L120 PolarHBondContact O-N 3.43Å; A117-L120 PolarHBondContact O-N 3.1Å; A118-L120 VanDerWaalsContact C-N 3.35Å; L120-A124 WeakPolarHBondContact O-CB 3.35Å; L120-A124 PolarHBondContact O-N 3.21Å
121L90.3Very high88Confident0 Ų059.2 Ų59.20%033%0.328CS..Hα-helixtrans-65.1-44174.9-75.8175.2000112.3C22 L28 L32 L52 L107 L111 A117 R123 A124 V125C22-L121 WeakPolarHBondContact SG-CD2 3.48Å; L28-L121 HydrophobicContact CD2-CD1 3.53Å; L28-L121 HydrophobicContact CD2-CD2 4.09Å; L28-L121 HydrophobicContact CD2-CG 3.6Å; L32-L121 HydrophobicContact CD2-CD1 4.18Å; L52-L121 HydrophobicContact CD2-CD1 4.28Å; L107-L121 HydrophobicContact CD1-CB 3.72Å; L111-L121 HydrophobicContact CD1-CD1 4.09Å; A117-L121 PolarHBondContact O-N 3Å; L121-R123 VanDerWaalsContact C-N 3.33Å; L121-R123 PolarHBondContact O-N 3.3Å; L121-A124 WeakPolarHBondContact O-CB 3.38Å; L121-A124 PolarHBondContact O-N 3.13Å; L121-V125 VanDerWaalsContact O-CG2 3.32Å; L121-V125 WeakPolarHBondContact O-CG2 3Å; L121-V125 PolarHBondContact O-N 3.19Å
122A94.7Very high87.4Confident0 Ų060.7 Ų60.70%034%0.335CS..Hα-helixtrans-59.1-46.5177.700000111.2E100 T103 A104 L107 A118 S119 A124 V125 H126E100-A122 HydrophobicContact CG-CB 4.07Å; T103-A122 HydrophobicContact CG2-CB 3.92Å; A104-A122 HydrophobicContact CB-CB 3.69Å; L107-A122 HydrophobicContact CD1-CB 4.33Å; A118-A122 VanDerWaalsContact O-CB 3.27Å; A118-A122 WeakPolarHBondContact O-CB 3.22Å; A118-A122 PolarHBondContact O-N 3.46Å; S119-A122 PolarHBondContact O-N 2.98Å; A122-A124 VanDerWaalsContact C-N 3.35Å; A122-A124 PolarHBondContact O-N 2.91Å; A122-V125 PolarHBondContact O-N 2.89Å; A122-H126 PolarHBondContact O-CD2 3.26Å; A122-H126 VanDerWaalsContact O-CD2 3.29Å; A122-H126 PolarHBondContact O-N 2.89Å
123R94.6Very high86.4Confident132 Ų13265 Ų6550%0.49835%0.352SS..Hα-helixtrans-58.2-46.1174.5-171.8175.266.3-173.71111.9E100 S119 L121 V125 H126 Q127E100-R123 WeakPolarHBondContact OE1-CB 3.4Å; S119-R123 WeakPolarHBondContact O-CB 3.48Å; S119-R123 PolarHBondContact O-N 3.19Å; L121-R123 VanDerWaalsContact C-N 3.33Å; L121-R123 PolarHBondContact O-N 3.3Å; R123-V125 VanDerWaalsContact C-N 3.3Å; R123-V125 PolarHBondContact O-N 2.76Å; R123-H126 PolarHBondContact O-N 3.08Å; R123-Q127 WeakPolarHBondContact O-CB 3.43Å; R123-Q127 PolarHBondContact O-N 2.66Å
124A92.1Very high85.4Confident3 Ų363.5 Ų63.53%0.02534%0.335CS..Hα-helixtrans-59.9-39.1178.700000112.9V18 I21 L120 L121 A122V18-A124 HydrophobicContact CG2-CB 4.01Å; I21-A124 HydrophobicContact CD1-CB 3.5Å; I21-A124 VanDerWaalsContact CD1-CB 3.5Å; L120-A124 WeakPolarHBondContact O-CB 3.35Å; L120-A124 PolarHBondContact O-N 3.21Å; L121-A124 WeakPolarHBondContact O-CB 3.38Å; L121-A124 PolarHBondContact O-N 3.13Å; A122-A124 VanDerWaalsContact C-N 3.35Å; A122-A124 PolarHBondContact O-N 2.91Å
125V94.4Very high84.5Confident1 Ų166 Ų661%0.00636%0.357CS..Hα-helixtrans-71.1-39178.9165.30000111.8K14 V18 M56 L60 V96 L121 A122 R123K14-V125 WeakPolarHBondContact CE-O 3.25Å; K14-V125 PolarHBondContact NZ-O 2.99Å; K14-V125 VanDerWaalsContact NZ-O 3.15Å; V18-V125 HydrophobicContact CG2-CG2 3.96Å; M56-V125 HydrophobicContact CE-CG1 4.48Å; M56-V125 HydrophobicContact CE-CG2 3.78Å; L60-V125 HydrophobicContact CB-CG1 4.28Å; L60-V125 HydrophobicContact CD1-CG1 3.92Å; L60-V125 WeakPolarHBondContact CD1-O 3.45Å; V96-V125 HydrophobicContact CB-CG1 4.26Å; V96-V125 HydrophobicContact CG1-CG1 3.59Å; V96-V125 HydrophobicContact CG2-CG1 3.6Å; L121-V125 VanDerWaalsContact O-CG2 3.32Å; L121-V125 WeakPolarHBondContact O-CG2 3Å; L121-V125 PolarHBondContact O-N 3.19Å; A122-V125 PolarHBondContact O-N 2.89Å; R123-V125 VanDerWaalsContact C-N 3.3Å; R123-V125 PolarHBondContact O-N 2.76Å
126H94.9Very high83.5Confident48 Ų4857 Ų5722%0.22232%0.323CS..Hα-helixtrans-84.9-18.7-178.3-80.1-81.5000114C97 T99 E100 T103 A122 R123 D128C97-H126 PolarHBondContact O-CE1 3.3Å; T99-H126 VanDerWaalsContact C-CE1 3.48Å; T99-H126 VanDerWaalsContact C-NE2 3.35Å; T99-H126 PolarHBondContact O-NE2 3.22Å; T99-H126 VanDerWaalsContact O-NE2 3.11Å; E100-H126 VanDerWaalsContact CA-CD2 3.42Å; E100-H126 WeakPolarHBondContact CA-CD2 3.29Å; E100-H126 HydrophobicContact CB-CB 4.26Å; E100-H126 HydrophobicContact CG-CB 4.48Å; T103-H126 PolarHBondContact OG1-NE2 3.09Å; A122-H126 PolarHBondContact O-CD2 3.26Å; A122-H126 VanDerWaalsContact O-CD2 3.29Å; A122-H126 PolarHBondContact O-N 2.89Å; R123-H126 PolarHBondContact O-N 3.08Å; H126-D128 PolarHBondContact O-N 2.88Å
127Q92.4Very high82.3Confident109 Ų10957.7 Ų57.751%0.50932%0.323SS..PPolyproline II helixtrans-71.3120.8179.3-175.4172.35.600111.7K14 R123K14-Q127 VanDerWaalsContact CE-O 3.28Å; K14-Q127 WeakPolarHBondContact CE-O 3.27Å; R123-Q127 WeakPolarHBondContact O-CB 3.43Å; R123-Q127 PolarHBondContact O-N 2.66Å
128D87.9Confident81.4Confident92 Ų9261 Ų6149%0.49236%0.358SS..PPolyproline II helixtrans-73.3140.1170.9-80.2-25.8000110.9R10 K14 H126R10-D128 IonicContact CZ-OD1 2.7Å; K14-D128 IonicContact NZ-OD1 3.77Å; K14-D128 PolarHBondContact NZ-OD1 3.44Å; H126-D128 PolarHBondContact O-N 2.88Å
129P84.1Confident80.7Confident22 Ų2261.7 Ų61.714%0.14336%0.361CS..PPolyproline II helixtrans-74.1161.1179.833-30000109.5R10 E13 K14R10-P129 HydrophobicContact CG-CG 3.74Å; E13-P129 HydrophobicContact CB-CB 4.19Å; E13-P129 HydrophobicContact CB-CG 4.26Å; E13-P129 HydrophobicContact CG-CB 3.75Å; E13-P129 HydrophobicContact CG-CG 4.35Å; K14-P129 HydrophobicContact CG-CG 3.99Å
130A77.1Confident79.8Confident90 Ų9064.5 Ų64.574%0.74438%0.376SS*.SBendtrans-55.3152.5166.500000110.3I132A130-I132 PolarHBondContact O-N 3.44Å; A130-I132 VanDerWaalsContact O-N 3.16Å
131T71.6Confident79.1Confident139 Ų13963.9 Ų63.985%0.85337%0.373SS*.PPolyproline II helixtrans-49.3123.5-178.5-51.40000110.9E133T131-E133 PolarHBondContact O-N 3.11Å
132I72.1Confident78.6Confident42 Ų4269.1 Ų69.122%0.21541%0.407CS..  trans-83.3111.7175.8-57.4178.1000107.5L9 E13 A130 A134L9-I132 VanDerWaalsContact C-CD1 3.4Å; L9-I132 HydrophobicContact CB-CD1 4.21Å; L9-I132 WeakPolarHBondContact O-CD1 3.2Å; E13-I132 HydrophobicContact CB-CD1 3.63Å; E13-I132 HydrophobicContact CB-CG1 4.48Å; E13-I132 HydrophobicContact CG-CD1 4.29Å; A130-I132 PolarHBondContact O-N 3.44Å; A130-I132 VanDerWaalsContact O-N 3.16Å; I132-A134 VanDerWaalsContact C-N 3.29Å; I132-A134 HydrophobicContact CG2-CB 4.3Å; I132-A134 PolarHBondContact O-N 2.93Å
133E63.2Low78.2Confident185 Ų18570.5 Ų70.586%0.86441%0.414SS*.  trans-70.787.5170.1-67.9-172.1173.600109.3T131T131-E133 PolarHBondContact O-N 3.11Å
134A62.5Low78Confident19 Ų1970.5 Ų70.516%0.15742%0.418CS..  trans-115.2120.6169.900000109L9 I132 T136L9-A134 HydrophobicContact CD1-CB 3.54Å; I132-A134 VanDerWaalsContact C-N 3.29Å; I132-A134 HydrophobicContact CG2-CB 4.3Å; I132-A134 PolarHBondContact O-N 2.93Å; A134-T136 HydrophobicContact CB-CG2 3.87Å; A134-T136 PolarHBondContact O-N 3.16Å; A134-T136 PolarHBondContact O-OG1 3.42Å
135S65.4Low78Confident106 Ų10671.9 Ų71.974%0.74143%0.427SS*.  trans-67.874.7171.5-171.50000109.8
136T68.8Low78Confident5 Ų574.3 Ų74.33%0.03144%0.444CS..  trans-103.71.5176.155.30000111.1L5 R6 L9 A134 L139 W221L5-T136 HydrophobicContact CD2-CG2 3.74Å; L5-T136 HydrophobicContact CG-CG2 4.19Å; R6-T136 HydrophobicContact CG-CG2 4.46Å; R6-T136 WeakPolarHBondContact CG-OG1 3.38Å; R6-T136 PolarHBondContact NE-OG1 3.33Å; L9-T136 HydrophobicContact CD1-CG2 4.18Å; A134-T136 HydrophobicContact CB-CG2 3.87Å; A134-T136 PolarHBondContact O-N 3.16Å; A134-T136 PolarHBondContact O-OG1 3.42Å; T136-L139 VanDerWaalsContact O-CB 3.31Å; T136-L139 WeakPolarHBondContact O-CB 3.04Å; T136-L139 PolarHBondContact O-N 3.44Å; T136-W221 HydrophobicContact CG2-CH2 4.5Å; T136-W221 HydrophobicContact CG2-CZ2 4.21Å
137D64.4Low78.1Confident130 Ų13075.6 Ų75.670%0.69545%0.45SS*.THydrogen-bonded Turntrans-69.8131.4-176.3-67.2-22000110.7R6 L139R6-D137 IonicContact NH2-OD1 3.62Å; R6-D137 PolarHBondContact NH2-OD1 2.88Å; D137-L139 VanDerWaalsContact C-N 3.3Å; D137-L139 PolarHBondContact O-N 3.01Å
138G64.9Low78.3Confident76 Ų7670.4 Ų70.478%0.78443%0.426SS*.THydrogen-bonded Turntrans81.4-1.3-174.900000115.3T140G138-T140 PolarHBondContact O-N 3.04Å; G138-T140 VanDerWaalsContact O-N 3.11Å
139L75.4Confident78.8Confident15 Ų1566 Ų668%0.07940%0.402CS..  trans-71.7105177.5-175.870.7000111.7A2 L5 T136 D137 V141 V223 T228 I230A2-L139 HydrophobicContact CB-CB 4.4Å; A2-L139 WeakPolarHBondContact CB-O 3.24Å; L5-L139 HydrophobicContact CD2-CD2 3.68Å; T136-L139 VanDerWaalsContact O-CB 3.31Å; T136-L139 WeakPolarHBondContact O-CB 3.04Å; T136-L139 PolarHBondContact O-N 3.44Å; D137-L139 VanDerWaalsContact C-N 3.3Å; D137-L139 PolarHBondContact O-N 3.01Å; L139-V141 HydrophobicContact CD1-CG2 4.22Å; L139-V141 HydrophobicContact CD2-CG2 4.12Å; L139-V141 HydrophobicContact CG-CG2 3.93Å; L139-V223 HydrophobicContact CD2-CG2 4.11Å; L139-T228 HydrophobicContact CD1-CG2 4.02Å; L139-I230 HydrophobicContact CD1-CD1 3.35Å; L139-I230 HydrophobicContact CD1-CG1 4.49Å
140T73.2Confident79.5Confident116 Ų11665 Ų6571%0.71240%0.395SS*.  trans-103.4111.7169.456.30000110.1G138G138-T140 PolarHBondContact O-N 3.04Å; G138-T140 VanDerWaalsContact O-N 3.11Å
141V76.7Confident80.5Confident11 Ų1160.9 Ų60.97%0.06736%0.361CS..  trans-108.5121.2170.3-163.20000108M1 L139 L143 V223 C225M1-V141 HydrophobicContact CB-CB 3.53Å; M1-V141 HydrophobicContact CB-CG2 3.9Å; M1-V141 HydrophobicContact CE-CB 3.81Å; M1-V141 HydrophobicContact CE-CG1 3.61Å; M1-V141 HydrophobicContact CE-CG2 4.34Å; M1-V141 HydrophobicContact CG-CB 3.9Å; M1-V141 WeakPolarHBondContact CG-O 3.26Å; L139-V141 HydrophobicContact CD1-CG2 4.22Å; L139-V141 HydrophobicContact CD2-CG2 4.12Å; L139-V141 HydrophobicContact CG-CG2 3.93Å; V141-L143 HydrophobicContact CG1-CD1 4.3Å; V141-L143 HydrophobicContact CG1-CG 4.28Å; V141-L143 PolarHBondContact O-N 2.89Å; V141-V223 HydrophobicContact CG1-CG1 4.2Å; V141-V223 HydrophobicContact CG2-CG1 3.66Å; V141-C225 HydrophobicContact CG1-CB 3.72Å
142P80.4Confident81.8Confident110 Ų11054.2 Ų54.271%0.71432%0.32SS*.  trans-82.851.2-172.135.9-37.8000112.3
143L85.1Confident83.1Confident29 Ų2952.3 Ų52.315%0.15231%0.31CS..  trans-121.3144.5177.1-64.3177.6000110.9M1 V141 L148 L190 V197 C225M1-L143 HydrophobicContact CE-CB 3.92Å; M1-L143 HydrophobicContact CE-CD1 3.92Å; M1-L143 HydrophobicContact CE-CG 4.38Å; M1-L143 HydrophobicContact CG-CB 4.23Å; M1-L143 VanDerWaalsContact CG-O 3.25Å; M1-L143 WeakPolarHBondContact CG-O 3.3Å; M1-L143 HydrophobicContact SD-CB 4.14Å; V141-L143 HydrophobicContact CG1-CD1 4.3Å; V141-L143 HydrophobicContact CG1-CG 4.28Å; V141-L143 PolarHBondContact O-N 2.89Å; L143-L148 HydrophobicContact CB-CD2 4.35Å; L143-L148 HydrophobicContact CD1-CD2 3.97Å; L143-L190 HydrophobicContact CD1-CD2 3.92Å; L143-L190 HydrophobicContact CD2-CD2 3.81Å; L143-L190 HydrophobicContact CG-CD2 4.49Å; L143-V197 HydrophobicContact CD1-CB 4.17Å; L143-V197 HydrophobicContact CD1-CG1 4.2Å; L143-V197 HydrophobicContact CD1-CG2 3.98Å; L143-C225 HydrophobicContact CD1-CB 4.28Å; L143-C225 WeakPolarHBondContact CD1-SG 3.45Å
144K91.1Very high84.7Confident133 Ų13343.5 Ų43.558%0.57827%0.269SS*.  trans-91.8141.7175.7-63.9176.4-177.4173.50109.9S146 E147K144-S146 PolarHBondContact O-N 3.23Å; K144-S146 VanDerWaalsContact O-N 3.1Å; K144-E147 HydrophobicContact CB-CG 4.22Å; K144-E147 PolarHBondContact N-OE2 2.97Å; K144-E147 WeakPolarHBondContact O-CB 3.36Å; K144-E147 PolarHBondContact O-N 3.48Å
145P92.4Very high86.3Confident31 Ų3142.8 Ų42.820%0.20126%0.263CS..G310 helixtrans-50.6-37.4174.5-28.535.6000113.5F69 L72 E147 L148F69-P145 HydrophobicContact CD1-CB 4.08Å; F69-P145 HydrophobicContact CD1-CG 3.71Å; F69-P145 HydrophobicContact CE1-CG 4.11Å; L72-P145 WeakPolarHBondContact CD2-O 3.49Å; L72-P145 HydrophobicContact CG-CB 4.34Å; P145-E147 PolarHBondContact O-N 3.47Å; P145-E147 VanDerWaalsContact O-N 3.08Å; P145-L148 PolarHBondContact O-N 2.91Å; P145-L148 VanDerWaalsContact O-N 3.09Å
146S94.6Very high87.8Confident52 Ų5238.2 Ų38.236%0.36423%0.23SC..G310 helixtrans-60.4-19.4177.5600000115K144 R191K144-S146 PolarHBondContact O-N 3.23Å; K144-S146 VanDerWaalsContact O-N 3.1Å; S146-R191 PolarHBondContact O-NH1 2.98Å
147E95.9Very high89Confident75 Ų7538.5 Ų38.535%0.3523%0.233SC..G310 helixtrans-89-7-179.1-64.4165.5165.900112.4K144 P145 R191K144-E147 HydrophobicContact CB-CG 4.22Å; K144-E147 PolarHBondContact N-OE2 2.97Å; K144-E147 WeakPolarHBondContact O-CB 3.36Å; K144-E147 PolarHBondContact O-N 3.48Å; P145-E147 PolarHBondContact O-N 3.47Å; P145-E147 VanDerWaalsContact O-N 3.08Å; E147-R191 WeakPolarHBondContact O-CB 3.25Å; E147-R191 WeakPolarHBondContact O-CG 3.36Å; E147-R191 PolarHBondContact O-N 2.87Å
148L97.6Very high90.3Very high0 Ų033.1 Ų33.10%020%0.204CC..EExtended strand (participates in β ladder)trans-107.4150.7-167.7-50.3172.9000112M1 L4 L72 L143 P145 V188 Y189 L190 R191 V197M1-L148 HydrophobicContact CE-CD1 4.26Å; M1-L148 HydrophobicContact SD-CD1 3.59Å; M1-L148 VanDerWaalsContact SD-CD1 3.59Å; L4-L148 HydrophobicContact CD2-CD1 3.72Å; L72-L148 HydrophobicContact CD2-CB 3.88Å; L72-L148 WeakPolarHBondContact CD2-O 3.3Å; L143-L148 HydrophobicContact CB-CD2 4.35Å; L143-L148 HydrophobicContact CD1-CD2 3.97Å; P145-L148 PolarHBondContact O-N 2.91Å; P145-L148 VanDerWaalsContact O-N 3.09Å; L148-V188 HydrophobicContact CB-CG1 3.89Å; L148-V188 HydrophobicContact CD1-CG1 3.96Å; L148-V188 HydrophobicContact CD2-CG1 4.19Å; L148-V188 HydrophobicContact CG-CG1 4.23Å; L148-Y189 CarbonylContact C-O 3.56Å; L148-Y189 VanDerWaalsContact CA-O 3.3Å; L148-Y189 WeakPolarHBondContact CA-O 3.44Å; L148-L190 HydrophobicContact CD2-CD2 4.06Å; L148-R191 WeakPolarHBondContact O-CD 3.43Å; L148-V197 HydrophobicContact CD2-CG2 4.01Å
149G98.3Very high91.5Very high0 Ų032.6 Ų32.60%019%0.189CC..EExtended strand (participates in β ladder)trans-122.2160.316300000110.1F75 V188 Y189F75-G149 CarbonylContact O-C 3.57Å; F75-G149 WeakPolarHBondContact O-CA 3.23Å; G149-V188 CarbonylContact O-C 3.59Å; G149-V188 WeakPolarHBondContact O-CA 3.35Å; G149-Y189 PolarHBondContact N-O 3.38Å; G149-Y189 VanDerWaalsContact O-CD1 3.29Å; G149-Y189 WeakPolarHBondContact O-CD1 3.16Å; G149-Y189 PolarHBondContact O-N 2.91Å
150I98.8Very high92.4Very high0 Ų032.6 Ų32.60%019%0.188CC..EExtended strand (participates in β ladder)trans-123.6138.4179.8-62.2-178.4000109.5L8 V65 L72 F75 I76 H77 I152 I186 G187 V188L8-I150 HydrophobicContact CD2-CD1 4.4Å; V65-I150 HydrophobicContact CG1-CD1 3.96Å; L72-I150 HydrophobicContact CD1-CD1 4.02Å; F75-I150 PolarHBondContact O-N 2.8Å; I76-I150 HydrophobicContact CG1-CB 4.42Å; I76-I150 HydrophobicContact CG1-CD1 4.38Å; I76-I150 HydrophobicContact CG2-CB 4.24Å; I76-I150 HydrophobicContact CG2-CG2 4.21Å; H77-I150 PolarHBondContact N-O 3.27Å; I150-I152 HydrophobicContact CG2-CG1 3.89Å; I150-I186 HydrophobicContact CG2-CG2 3.81Å; I150-G187 CarbonylContact C-O 3.6Å; I150-G187 VanDerWaalsContact CA-O 3.23Å; I150-G187 WeakPolarHBondContact CA-O 3.35Å; I150-V188 HydrophobicContact CG1-CG2 4.3Å
151W98.8Very high93.3Very high4 Ų427.1 Ų27.12%0.01516%0.155CC..EExtended strand (participates in β ladder)trans-113.4130.8164.7-79.8111.7000109.6H77 G187 Y189 K299 W300 C303 Y339 W352H77-W151 HydrophobicContact CB-CD2 3.94Å; H77-W151 HydrophobicContact CB-CE3 3.46Å; H77-W151 VanDerWaalsContact CB-CE3 3.46Å; H77-W151 HydrophobicContact CB-CH2 3.53Å; H77-W151 HydrophobicContact CB-CZ2 3.99Å; H77-W151 HydrophobicContact CB-CZ3 3.25Å; H77-W151 CarbonylContact O-C 3.58Å; H77-W151 WeakPolarHBondContact O-CA 3.26Å; W151-G187 PolarHBondContact N-O 3.49Å; W151-G187 PolarHBondContact O-N 2.87Å; W151-Y189 AromaticContact CD1-CD1 3.62Å; W151-Y189 AromaticContact CD1-CE1 3.44Å; W151-Y189 VanDerWaalsContact CD1-CE1 3.44Å; W151-Y189 HydrophobicContact CG-CE1 4.37Å; W151-Y189 AromaticContact NE1-CE1 3.49Å; W151-K299 HydrophobicContact CD2-CB 3.82Å; W151-K299 HydrophobicContact CE3-CB 4.42Å; W151-K299 HydrophobicContact CG-CB 4.08Å; W151-K299 HydrophobicContact CZ2-CB 4.04Å; W151-K299 HydrophobicContact CZ2-CG 4.33Å; W151-W300 HydrophobicContact CB-CB 4.47Å; W151-W300 HydrophobicContact CE3-CB 4.32Å; W151-W300 AromaticContact CE3-CE3 3.71Å; W151-W300 HydrophobicContact CE3-CE3 3.71Å; W151-W300 HydrophobicContact CE3-CZ3 4.49Å; W151-W300 HydrophobicContact CH2-CE3 4.33Å; W151-W300 HydrophobicContact CH2-CZ3 4.37Å; W151-W300 AromaticContact CZ3-CE3 3.48Å; W151-W300 HydrophobicContact CZ3-CE3 3.48Å; W151-W300 VanDerWaalsContact CZ3-CE3 3.48Å; W151-W300 AromaticContact CZ3-CZ3 3.82Å; W151-W300 HydrophobicContact CZ3-CZ3 3.82Å; W151-C303 HydrophobicContact CB-CB 4Å; W151-C303 HydrophobicContact CG-CB 4.47Å; W151-Y339 PolarHBondContact NE1-O 2.94Å; W151-W352 HydrophobicContact CH2-CB 4.43Å; W151-W352 AromaticContact CH2-CD2 3.54Å; W151-W352 HydrophobicContact CH2-CD2 3.54Å; W151-W352 AromaticContact CH2-CE2 3.64Å; W151-W352 AromaticContact CH2-CE3 3.95Å; W151-W352 HydrophobicContact CH2-CE3 3.95Å; W151-W352 AromaticContact CH2-CG 3.77Å; W151-W352 HydrophobicContact CH2-CG 3.77Å; W151-W352 HydrophobicContact CH2-CH2 4.42Å; W151-W352 HydrophobicContact CH2-CZ2 4.09Å; W151-W352 HydrophobicContact CH2-CZ3 4.37Å; W151-W352 AromaticContact CH2-NE1 3.93Å; W151-W352 AromaticContact CZ2-CD2 3.62Å; W151-W352 HydrophobicContact CZ2-CD2 3.62Å; W151-W352 AromaticContact CZ2-CE2 3.94Å; W151-W352 AromaticContact CZ2-CE3 3.49Å; W151-W352 HydrophobicContact CZ2-CE3 3.49Å; W151-W352 VanDerWaalsContact CZ2-CE3 3.49Å; W151-W352 HydrophobicContact CZ2-CG 4.22Å; W151-W352 AromaticContact CZ2-CH2 3.97Å; W151-W352 HydrophobicContact CZ2-CH2 3.97Å; W151-W352 HydrophobicContact CZ2-CZ2 4.11Å; W151-W352 AromaticContact CZ2-CZ3 3.68Å; W151-W352 HydrophobicContact CZ2-CZ3 3.68Å
152I98.8Very high93.9Very high0 Ų028.2 Ų28.20%016%0.16CC..EExtended strand (participates in β ladder)trans-115.9126.4178.5-56.6166.8000109Q58 I61 R62 I76 H77 G78 E79 I150 L185 W300Q58-I152 HydrophobicContact CB-CG2 4.5Å; Q58-I152 HydrophobicContact CG-CB 4.24Å; Q58-I152 HydrophobicContact CG-CD1 4.1Å; Q58-I152 HydrophobicContact CG-CG2 4.07Å; I61-I152 HydrophobicContact CB-CD1 3.92Å; I61-I152 HydrophobicContact CD1-CG2 3.81Å; I61-I152 HydrophobicContact CG2-CD1 3.51Å; I61-I152 HydrophobicContact CG2-CG1 4.1Å; R62-I152 HydrophobicContact CG-CD1 4.2Å; I76-I152 HydrophobicContact CG2-CD1 3.43Å; I76-I152 VanDerWaalsContact CG2-CD1 3.43Å; I76-I152 HydrophobicContact CG2-CG1 4.25Å; H77-I152 PolarHBondContact O-N 3.42Å; G78-I152 WeakPolarHBondContact CA-O 3.3Å; E79-I152 PolarHBondContact N-O 3.28Å; E79-I152 VanDerWaalsContact N-O 3.12Å; I150-I152 HydrophobicContact CG2-CG1 3.89Å; I152-L185 WeakPolarHBondContact CA-O 3.3Å; I152-W300 WeakPolarHBondContact O-CB 3.2Å
153D98.4Very high94.3Very high2 Ų227.8 Ų27.81%0.01115%0.148CC..EExtended strand (participates in β ladder)trans-106.6107.5157.2-170.4-27.3000106.8I155 D156 L185 W300D153-I155 PolarHBondContact OD1-N 3.45Å; D153-D156 WeakPolarHBondContact OD1-CA 3.46Å; D153-D156 PolarHBondContact OD1-N 3.48Å; D153-D156 WeakPolarHBondContact OD2-CB 3.09Å; D153-L185 HydrophobicContact CB-CB 3.82Å; D153-L185 HydrophobicContact CB-CD1 3.91Å; D153-L185 HydrophobicContact CB-CG 4Å; D153-L185 PolarHBondContact N-O 3.13Å; D153-L185 PolarHBondContact O-N 3.12Å; D153-W300 HydrophobicContact CB-CB 4.08Å
154P97.1Very high94.5Very high0 Ų026.9 Ų26.90%015%0.146CC..EExtended strand (participates in β ladder)trans-69-38.4-172.926.9-32.7000112.6D54 I57 Q58 E80 V184D54-P154 HydrophobicContact CB-CB 4.3Å; D54-P154 HydrophobicContact CB-CG 3.76Å; D54-P154 VanDerWaalsContact O-CB 3.25Å; D54-P154 WeakPolarHBondContact O-CB 3.31Å; I57-P154 HydrophobicContact CB-CB 3.89Å; I57-P154 HydrophobicContact CG2-CB 3.59Å; Q58-P154 HydrophobicContact CB-CB 4.22Å; Q58-P154 HydrophobicContact CB-CG 4.44Å; E80-P154 HydrophobicContact CG-CG 4Å; P154-V184 WeakPolarHBondContact O-CG2 3.37Å
155I96.3Very high94.5Very high4 Ų425 Ų252%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-147.188.3173.9-48.6178.8000108.8A53 D54 I57 D153 T158 Y161 A182 L183A53-I155 HydrophobicContact CB-CD1 4.15Å; D54-I155 WeakPolarHBondContact OD1-CB 3.31Å; D54-I155 WeakPolarHBondContact OD1-CG1 3.36Å; I57-I155 HydrophobicContact CD1-CD1 3.89Å; I57-I155 HydrophobicContact CD1-CG1 3.76Å; D153-I155 PolarHBondContact OD1-N 3.45Å; I155-T158 PolarHBondContact O-N 3.31Å; I155-T158 PolarHBondContact O-OG1 3.46Å; I155-Y161 HydrophobicContact CD1-CD1 3.92Å; I155-Y161 HydrophobicContact CD1-CE1 3.72Å; I155-Y161 HydrophobicContact CD1-CE2 4.34Å; I155-Y161 HydrophobicContact CD1-CG 4.32Å; I155-Y161 HydrophobicContact CG2-CD1 4.18Å; I155-Y161 HydrophobicContact CG2-CD2 4.15Å; I155-Y161 HydrophobicContact CG2-CG 3.75Å; I155-A182 HydrophobicContact CG2-CB 4.36Å; I155-L183 CarbonylContact C-O 3.48Å; I155-L183 WeakPolarHBondContact CA-O 3.36Å
156D97.1Very high94.4Very high9 Ų928.4 Ų28.45%0.04815%0.148CC..EExtended strand (participates in β ladder)trans-58.7145.4169.2172.345.2000108.4D153 A182 L183 L185 A275 G276 Y277D153-D156 WeakPolarHBondContact OD1-CA 3.46Å; D153-D156 PolarHBondContact OD1-N 3.48Å; D153-D156 WeakPolarHBondContact OD2-CB 3.09Å; D156-A182 VanDerWaalsContact O-CA 3.27Å; D156-A182 WeakPolarHBondContact O-CA 3.31Å; D156-L183 HydrophobicContact CB-CB 4.22Å; D156-L183 PolarHBondContact N-O 2.81Å; D156-L183 PolarHBondContact O-N 2.83Å; D156-L185 HydrophobicContact CB-CD1 3.93Å; D156-L185 HydrophobicContact CB-CG 4.21Å; D156-A275 PolarHBondContact OD1-N 3.41Å; D156-A275 PolarHBondContact OD2-N 2.82Å; D156-G276 WeakPolarHBondContact OD2-CA 3.43Å; D156-G276 PolarHBondContact OD2-N 3.39Å; D156-Y277 PolarHBondContact OD2-N 3.2Å
157A94.3Very high93.9Very high12 Ų1228.3 Ų28.310%0.09914%0.142CC..THydrogen-bonded Turntrans58.844.4-173.500000113S159 Q160 Y161 C181 G274A157-S159 PolarHBondContact O-N 2.89Å; A157-Q160 HydrophobicContact CB-CB 4.06Å; A157-Q160 HydrophobicContact CB-CG 3.93Å; A157-Q160 WeakPolarHBondContact O-CA 3.47Å; A157-Q160 WeakPolarHBondContact O-CB 3.28Å; A157-Q160 PolarHBondContact O-N 3.21Å; A157-Y161 PolarHBondContact O-N 3.26Å; A157-C181 HydrophobicContact CB-CB 4.39Å; A157-C181 WeakPolarHBondContact CB-O 3.2Å; A157-G274 VanDerWaalsContact CB-CA 3.46Å
158T91.6Very high93.2Very high16 Ų1630.8 Ų30.810%0.09816%0.162CC..Hα-helixtrans-48.3-35.6178.2-33.60000112.8T51 I155 Q160 Y161 I162T51-T158 HydrophobicContact CG2-CG2 4.27Å; I155-T158 PolarHBondContact O-N 3.31Å; I155-T158 PolarHBondContact O-OG1 3.46Å; T158-Q160 PolarHBondContact O-N 2.94Å; T158-Y161 CarbonylContact O-C 3.57Å; T158-Y161 WeakPolarHBondContact O-CB 3.29Å; T158-Y161 PolarHBondContact O-N 3.47Å; T158-I162 HydrophobicContact CG2-CD1 4.02Å; T158-I162 HydrophobicContact CG2-CG1 4.45Å; T158-I162 WeakPolarHBondContact O-CB 3.38Å; T158-I162 VanDerWaalsContact O-CG1 3.26Å; T158-I162 WeakPolarHBondContact O-CG1 3.49Å; T158-I162 PolarHBondContact O-N 3.31Å
159S90.3Very high92.5Very high65 Ų6533.5 Ų33.546%0.45518%0.176SC..Hα-helixtrans-62.3-39.1174.962.60000113.6A157 I162 E163A157-S159 PolarHBondContact O-N 2.89Å; S159-I162 PolarHBondContact O-N 3.48Å; S159-E163 WeakPolarHBondContact O-CB 3.47Å; S159-E163 PolarHBondContact O-N 3.07Å
160Q93.5Very high91.9Very high15 Ų1538.3 Ų38.37%0.0720%0.199CC..Hα-helixtrans-71.8-37.3175.6-58.9-55.9-69.400111.3A157 T158 I162 G164 S177 C181A157-Q160 HydrophobicContact CB-CB 4.06Å; A157-Q160 HydrophobicContact CB-CG 3.93Å; A157-Q160 WeakPolarHBondContact O-CA 3.47Å; A157-Q160 WeakPolarHBondContact O-CB 3.28Å; A157-Q160 PolarHBondContact O-N 3.21Å; T158-Q160 PolarHBondContact O-N 2.94Å; Q160-I162 VanDerWaalsContact C-N 3.34Å; Q160-G164 PolarHBondContact O-N 2.87Å; Q160-S177 VanDerWaalsContact OE1-CB 3.23Å; Q160-C181 HydrophobicContact CB-CB 4.39Å; Q160-C181 HydrophobicContact CG-CB 4.15Å
161Y92.6Very high91.1Very high2 Ų247.8 Ų47.81%0.00824%0.243CC..Hα-helixtrans-62.7-40.1171.5175.2-102.9000112.2A19 C22 R23 F29 I155 A157 T158 L179 F205A19-Y161 HydrophobicContact CB-CE2 4.13Å; A19-Y161 PolarHBondContact O-OH 3.46Å; A19-Y161 VanDerWaalsContact O-OH 3.04Å; C22-Y161 WeakPolarHBondContact CB-OH 3.43Å; R23-Y161 VanDerWaalsContact CD-CE2 3.42Å; R23-Y161 HydrophobicContact CG-CD2 4.19Å; R23-Y161 HydrophobicContact CG-CE2 3.43Å; R23-Y161 VanDerWaalsContact CG-CE2 3.43Å; R23-Y161 PolarHBondContact NH1-O 3.4Å; F29-Y161 HydrophobicContact CE2-CD1 4.47Å; F29-Y161 AromaticContact CE2-CE1 3.97Å; F29-Y161 HydrophobicContact CE2-CE1 3.97Å; I155-Y161 HydrophobicContact CD1-CD1 3.92Å; I155-Y161 HydrophobicContact CD1-CE1 3.72Å; I155-Y161 HydrophobicContact CD1-CE2 4.34Å; I155-Y161 HydrophobicContact CD1-CG 4.32Å; I155-Y161 HydrophobicContact CG2-CD1 4.18Å; I155-Y161 HydrophobicContact CG2-CD2 4.15Å; I155-Y161 HydrophobicContact CG2-CG 3.75Å; A157-Y161 PolarHBondContact O-N 3.26Å; T158-Y161 CarbonylContact O-C 3.57Å; T158-Y161 WeakPolarHBondContact O-CB 3.29Å; T158-Y161 PolarHBondContact O-N 3.47Å; Y161-L179 HydrophobicContact CD2-CD2 4.44Å; Y161-F205 AromaticContact CD2-CE2 3.76Å; Y161-F205 HydrophobicContact CD2-CE2 3.76Å; Y161-F205 HydrophobicContact CD2-CZ 4.15Å; Y161-F205 AromaticContact CE2-CE2 3.87Å; Y161-F205 HydrophobicContact CE2-CE2 3.87Å; Y161-F205 AromaticContact CE2-CZ 3.83Å; Y161-F205 HydrophobicContact CE2-CZ 3.83Å
162I88.1Confident90.4Very high33 Ų3350.6 Ų50.617%0.16927%0.273CS..Hα-helixtrans-69.7-50177.9-71.9166.2000110.6F29 V33 F49 T51 T158 S159 Q160 G164F29-I162 WeakPolarHBondContact CE1-O 3.24Å; F29-I162 WeakPolarHBondContact CZ-O 3.07Å; V33-I162 HydrophobicContact CG1-CD1 3.95Å; V33-I162 HydrophobicContact CG2-CD1 4.4Å; V33-I162 HydrophobicContact CG2-CG1 4.25Å; F49-I162 HydrophobicContact CB-CD1 3.31Å; F49-I162 HydrophobicContact CD1-CD1 4.42Å; F49-I162 HydrophobicContact CD2-CD1 3.83Å; F49-I162 HydrophobicContact CG-CD1 3.62Å; T51-I162 HydrophobicContact CG2-CD1 4.15Å; T51-I162 HydrophobicContact CG2-CG1 4.2Å; T158-I162 HydrophobicContact CG2-CD1 4.02Å; T158-I162 HydrophobicContact CG2-CG1 4.45Å; T158-I162 WeakPolarHBondContact O-CB 3.38Å; T158-I162 VanDerWaalsContact O-CG1 3.26Å; T158-I162 WeakPolarHBondContact O-CG1 3.49Å; T158-I162 PolarHBondContact O-N 3.31Å; S159-I162 PolarHBondContact O-N 3.48Å; Q160-I162 VanDerWaalsContact C-N 3.34Å; I162-G164 VanDerWaalsContact C-N 3.28Å; I162-G164 PolarHBondContact O-N 2.94Å
163E89.6Confident90Very high102 Ų10258.1 Ų58.148%0.47730%0.301SS..Hα-helixtrans-63.5-37.9-178.7-167-178.9179.200111.8S159 R165S159-E163 WeakPolarHBondContact O-CB 3.47Å; S159-E163 PolarHBondContact O-N 3.07Å; E163-R165 VanDerWaalsContact C-N 3.31Å; E163-R165 HydrophobicContact CG-CG 3.94Å; E163-R165 PolarHBondContact O-N 3.07Å; E163-R165 WeakPolarHBondContact OE1-CD 3.23Å; E163-R165 IonicContact OE1-CZ 2.77Å; E163-R165 IonicContact OE1-NE 3.69Å; E163-R165 IonicContact OE1-NH1 2.68Å; E163-R165 PolarHBondContact OE1-NH1 2.96Å; E163-R165 IonicContact OE2-CZ 2.69Å; E163-R165 VanDerWaalsContact OE2-CZ 3.26Å; E163-R165 IonicContact OE2-NE 3.58Å; E163-R165 IonicContact OE2-NH1 3.8Å; E163-R165 PolarHBondContact OE2-NH1 2.88Å; E163-R165 IonicContact OE2-NH2 3.45Å
164G89.6Confident89.8Confident9 Ų959.4 Ų59.49%0.09331%0.308CS..  trans73.221.7166.300000115.4R23 Q160 I162 E166R23-G164 VanDerWaalsContact NH1-CA 3.28Å; R23-G164 PolarHBondContact NH2-O 3.37Å; Q160-G164 PolarHBondContact O-N 2.87Å; I162-G164 VanDerWaalsContact C-N 3.28Å; I162-G164 PolarHBondContact O-N 2.94Å; G164-E166 PolarHBondContact O-N 3.29Å
165R91.1Very high89.6Confident95 Ų9559.7 Ų59.736%0.35831%0.31SS..  trans-61.8119.9177.4-62.3-161.2-61.9-106.4-4.4109.8E163 E167 S177 G178 L179E163-R165 VanDerWaalsContact C-N 3.31Å; E163-R165 HydrophobicContact CG-CG 3.94Å; E163-R165 PolarHBondContact O-N 3.07Å; E163-R165 WeakPolarHBondContact OE1-CD 3.23Å; E163-R165 IonicContact OE1-CZ 2.77Å; E163-R165 IonicContact OE1-NE 3.69Å; E163-R165 IonicContact OE1-NH1 2.68Å; E163-R165 PolarHBondContact OE1-NH1 2.96Å; E163-R165 IonicContact OE2-CZ 2.69Å; E163-R165 VanDerWaalsContact OE2-CZ 3.26Å; E163-R165 IonicContact OE2-NE 3.58Å; E163-R165 IonicContact OE2-NH1 3.8Å; E163-R165 PolarHBondContact OE2-NH1 2.88Å; E163-R165 IonicContact OE2-NH2 3.45Å; R165-E167 IonicContact NE-OE1 3.5Å; R165-E167 PolarHBondContact O-N 2.97Å; R165-S177 PolarHBondContact NH2-OG 3.48Å; R165-G178 CarbonylContact O-C 3.59Å; R165-G178 VanDerWaalsContact O-CA 3.23Å; R165-G178 WeakPolarHBondContact O-CA 3.08Å; R165-L179 PolarHBondContact O-N 2.9Å
166E89.8Confident89.6Confident101 Ų10162.8 Ų62.847%0.47233%0.33SS..  trans-90.993.8175.8-57-168.7143.200108.7G164 L179 K208 W215G164-E166 PolarHBondContact O-N 3.29Å; E166-L179 HydrophobicContact CG-CD1 4.01Å; E166-K208 IonicContact OE1-NZ 2.59Å; E166-K208 IonicContact OE2-NZ 2.91Å; E166-K208 PolarHBondContact OE2-NZ 3.47Å; E166-W215 HydrophobicContact CB-CZ2 4.2Å; E166-W215 HydrophobicContact CG-CZ2 3.97Å; E166-W215 PolarHBondContact OE1-NE1 2.92Å
167E84.1Confident89.5Confident51 Ų5163.1 Ų63.124%0.23833%0.333CS..PPolyproline II helixtrans-90.2154.1176.5-65.7177.9-162.100110.2R165 L169 S177 H180R165-E167 IonicContact NE-OE1 3.5Å; R165-E167 PolarHBondContact O-N 2.97Å; E167-L169 PolarHBondContact O-N 3.45Å; E167-S177 PolarHBondContact OE1-OG 3.03Å; E167-S177 VanDerWaalsContact OE2-O 3.13Å; E167-H180 PolarHBondContact O-CD2 3.46Å; E167-H180 PolarHBondContact O-NE2 3.42Å
168V82.4Confident89.5Confident126 Ų12662.6 Ų62.676%0.76433%0.329SS*.PPolyproline II helixtrans-76.5125.6172.61800000108E170V168-E170 PolarHBondContact O-N 3.47Å
169L81.9Confident89.6Confident57 Ų5761.8 Ų61.830%0.29832%0.324SS..PPolyproline II helixtrans-76.9119.8172.8-168.265.9000108.9E167 S175 N206E167-L169 PolarHBondContact O-N 3.45Å; L169-S175 VanDerWaalsContact CD1-OG 3.32Å; L169-S175 WeakPolarHBondContact CD1-OG 3.39Å; L169-N206 WeakPolarHBondContact CD2-O 3.43Å
170E85.8Confident89.9Confident102 Ų10258.9 Ų58.948%0.47730%0.303SS..PPolyproline II helixtrans-95.7121.1172.6-69-177.2-156.600109.4V168 G172 R173V168-E170 PolarHBondContact O-N 3.47Å; E170-G172 PolarHBondContact O-N 2.88Å; E170-R173 HydrophobicContact CB-CB 4.18Å; E170-R173 HydrophobicContact CB-CG 4.37Å; E170-R173 PolarHBondContact O-N 2.91Å; E170-R173 VanDerWaalsContact O-N 3.1Å; E170-R173 IonicContact OE1-NH1 3.91Å; E170-R173 WeakPolarHBondContact OE2-CD 3.45Å; E170-R173 IonicContact OE2-CZ 3.66Å; E170-R173 IonicContact OE2-NE 2.66Å; E170-R173 IonicContact OE2-NH1 3.58Å; E170-R173 PolarHBondContact OE2-NH1 3.23Å
171E82.8Confident90.1Very high199 Ų19958.1 Ų58.193%0.9330%0.3SS*.THydrogen-bonded Turntrans-59.8134.8-179.5-171.6168.7-15300111.3R173E171-R173 PolarHBondContact O-N 2.88Å
172G84.1Confident90.3Very high62 Ų6258.1 Ų58.164%0.63930%0.3SS*.THydrogen-bonded Turntrans76.54.7-177.700000114.9E170E170-G172 PolarHBondContact O-N 2.88Å
173R89.3Confident90.7Very high159 Ų15956.6 Ų56.660%0.629%0.292SS*.SBendtrans-122148.6174-57.4-176.778.4-166.60.3110.6E170 E171E170-R173 HydrophobicContact CB-CB 4.18Å; E170-R173 HydrophobicContact CB-CG 4.37Å; E170-R173 PolarHBondContact O-N 2.91Å; E170-R173 VanDerWaalsContact O-N 3.1Å; E170-R173 IonicContact OE1-NH1 3.91Å; E170-R173 WeakPolarHBondContact OE2-CD 3.45Å; E170-R173 IonicContact OE2-CZ 3.66Å; E170-R173 IonicContact OE2-NE 2.66Å; E170-R173 IonicContact OE2-NH1 3.58Å; E170-R173 PolarHBondContact OE2-NH1 3.23Å; E171-R173 PolarHBondContact O-N 2.88Å
174L93.7Very high91.2Very high29 Ų2951.8 Ų51.815%0.15227%0.269CS..  trans-79.1149.3171.165.780.5000110.9V247 M270 A272 L286L174-V247 HydrophobicContact CD2-CB 4.41Å; L174-V247 HydrophobicContact CD2-CG2 4.07Å; L174-M270 HydrophobicContact CD2-CB 3.83Å; L174-M270 HydrophobicContact CD2-CE 3.83Å; L174-M270 HydrophobicContact CD2-CG 4.27Å; L174-M270 HydrophobicContact CD2-SD 3.53Å; L174-M270 VanDerWaalsContact CD2-SD 3.53Å; L174-M270 HydrophobicContact CG-SD 4.22Å; L174-A272 HydrophobicContact CD1-CB 4.27Å; L174-L286 HydrophobicContact CB-CB 4.4Å; L174-L286 HydrophobicContact CB-CD1 4.24Å
175S94.7Very high91.6Very high5 Ų551.3 Ų51.34%0.03527%0.265CS..  trans-87.4128.6171.1-60.60000109.4L169 S177 Y277L169-S175 VanDerWaalsContact CD1-OG 3.32Å; L169-S175 WeakPolarHBondContact CD1-OG 3.39Å; S175-S177 VanDerWaalsContact C-N 3.29Å; S175-S177 PolarHBondContact O-N 2.83Å; S175-Y277 WeakPolarHBondContact CB-OH 3.01Å; S175-Y277 PolarHBondContact N-OH 3.49Å; S175-Y277 VanDerWaalsContact O-CE1 3.23Å; S175-Y277 WeakPolarHBondContact O-CE1 3.18Å
176P94.6Very high92Very high70 Ų7046.8 Ų46.846%0.45525%0.248SC..SBendtrans-71.6-27.6178.328.8-33.8000112.3Y271 A272 S273P176-Y271 WeakPolarHBondContact CA-O 3.35Å; P176-A272 CarbonylContact O-C 3.57Å; P176-A272 WeakPolarHBondContact O-CA 3.46Å; P176-S273 PolarHBondContact O-N 3.16Å; P176-S273 PolarHBondContact O-OG 3.49Å
177S95.4Very high92.4Very high16 Ų1642 Ų4211%0.11223%0.226CC..SBendtrans-161.8-172-175.552.60000113.2Q160 R165 E167 S175 C181Q160-S177 VanDerWaalsContact OE1-CB 3.23Å; R165-S177 PolarHBondContact NH2-OG 3.48Å; E167-S177 PolarHBondContact OE1-OG 3.03Å; E167-S177 VanDerWaalsContact OE2-O 3.13Å; S175-S177 VanDerWaalsContact C-N 3.29Å; S175-S177 PolarHBondContact O-N 2.83Å; S177-C181 VanDerWaalsContact CA-SG 3.56Å
178G94.4Very high93.1Very high0 Ų039.6 Ų39.60%022%0.215CC..SBendtrans83.8-172.2176.300000113.7R165 H180 C181R165-G178 CarbonylContact O-C 3.59Å; R165-G178 VanDerWaalsContact O-CA 3.23Å; R165-G178 WeakPolarHBondContact O-CA 3.08Å; G178-H180 PolarHBondContact O-N 3.16Å; G178-H180 VanDerWaalsContact O-N 3.1Å; G178-C181 WeakPolarHBondContact O-CB 3.19Å; G178-C181 PolarHBondContact O-N 2.94Å
179L94.7Very high93.9Very high0 Ų034 Ų340%018%0.18CC..G310 helixtrans-59.6-25.1-172.6-72.8179.5000114.3Y161 R165 E166 C181 A182 F205 W215Y161-L179 HydrophobicContact CD2-CD2 4.44Å; R165-L179 PolarHBondContact O-N 2.9Å; E166-L179 HydrophobicContact CG-CD1 4.01Å; L179-C181 PolarHBondContact O-N 2.93Å; L179-A182 PolarHBondContact O-N 2.93Å; L179-A182 VanDerWaalsContact O-N 3.07Å; L179-F205 HydrophobicContact CB-CB 3.74Å; L179-F205 HydrophobicContact CB-CD1 4.46Å; L179-F205 HydrophobicContact CB-CD2 4.09Å; L179-F205 HydrophobicContact CB-CG 3.85Å; L179-F205 HydrophobicContact CD1-CD1 4.03Å; L179-F205 HydrophobicContact CD1-CE1 4.39Å; L179-F205 HydrophobicContact CD1-CG 4.24Å; L179-F205 HydrophobicContact CD2-CD2 4.15Å; L179-F205 HydrophobicContact CD2-CE2 4.23Å; L179-F205 HydrophobicContact CD2-CG 4.44Å; L179-F205 HydrophobicContact CG-CG 4.42Å; L179-W215 HydrophobicContact CD1-CZ2 4.11Å
180H95.9Very high94.6Very high3 Ų332.3 Ų32.31%0.01417%0.171CC..G310 helixtrans-59.3-27.2173.9-65.3-63.4000112.9E167 G178 A182 Q203 F205 N206 W215 Y277E167-H180 PolarHBondContact O-CD2 3.46Å; E167-H180 PolarHBondContact O-NE2 3.42Å; G178-H180 PolarHBondContact O-N 3.16Å; G178-H180 VanDerWaalsContact O-N 3.1Å; H180-A182 VanDerWaalsContact C-N 3.34Å; H180-Q203 PolarHBondContact O-NE2 3.32Å; H180-F205 PolarHBondContact CE1-O 3.39Å; H180-F205 PolarHBondContact ND1-O 3.43Å; H180-N206 PolarHBondContact CE1-O 3.17Å; H180-W215 AromaticContact CE1-CH2 3.94Å; H180-W215 AromaticContact CE1-CZ3 3.67Å; H180-Y277 WeakPolarHBondContact O-CD2 3.28Å; H180-Y277 WeakPolarHBondContact O-CE2 3.14Å
181C96.9Very high95.1Very high0 Ų032 Ų320%017%0.165CC..G310 helixtrans-82-11.9179.3-60.30000113.4A157 Q160 S177 G178 L179 Y277A157-C181 HydrophobicContact CB-CB 4.39Å; A157-C181 WeakPolarHBondContact CB-O 3.2Å; Q160-C181 HydrophobicContact CB-CB 4.39Å; Q160-C181 HydrophobicContact CG-CB 4.15Å; S177-C181 VanDerWaalsContact CA-SG 3.56Å; G178-C181 WeakPolarHBondContact O-CB 3.19Å; G178-C181 PolarHBondContact O-N 2.94Å; L179-C181 PolarHBondContact O-N 2.93Å; C181-Y277 HydrophobicContact CB-CD1 4.2Å; C181-Y277 HydrophobicContact CB-CG 4.14Å
182A96.6Very high95.8Very high1 Ų127.1 Ų27.11%0.00815%0.153CC..  trans-84.3124.1-178.600000110.9I155 D156 L179 H180 P204 F205I155-A182 HydrophobicContact CG2-CB 4.36Å; D156-A182 VanDerWaalsContact O-CA 3.27Å; D156-A182 WeakPolarHBondContact O-CA 3.31Å; L179-A182 PolarHBondContact O-N 2.93Å; L179-A182 VanDerWaalsContact O-N 3.07Å; H180-A182 VanDerWaalsContact C-N 3.34Å; A182-P204 VanDerWaalsContact O-CD 3.25Å; A182-P204 WeakPolarHBondContact O-CD 3.42Å; A182-F205 HydrophobicContact CB-CD2 4.47Å
183L98.4Very high96.3Very high1 Ų127.3 Ų27.31%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-130.6154.6-174-55.5179.5000112I155 D156 L185 I201 N202 Q203 G276 Y277 L280I155-L183 CarbonylContact C-O 3.48Å; I155-L183 WeakPolarHBondContact CA-O 3.36Å; D156-L183 HydrophobicContact CB-CB 4.22Å; D156-L183 PolarHBondContact N-O 2.81Å; D156-L183 PolarHBondContact O-N 2.83Å; L183-L185 HydrophobicContact CB-CD2 3.79Å; L183-L185 HydrophobicContact CB-CG 4.44Å; L183-L185 HydrophobicContact CD1-CD2 4Å; L183-I201 HydrophobicContact CB-CG2 4.39Å; L183-I201 HydrophobicContact CD1-CG2 3.81Å; L183-I201 HydrophobicContact CD2-CG2 4.25Å; L183-I201 HydrophobicContact CG-CG2 4.4Å; L183-N202 CarbonylContact C-O 3.46Å; L183-N202 WeakPolarHBondContact CA-O 3.49Å; L183-Q203 HydrophobicContact CD2-CB 3.54Å; L183-Q203 HydrophobicContact CD2-CG 3.61Å; L183-G276 VanDerWaalsContact CD1-C 3.5Å; L183-Y277 VanDerWaalsContact CD1-N 3.32Å; L183-L280 HydrophobicContact CD1-CB 4.38Å; L183-L280 HydrophobicContact CD1-CD2 4.12Å; L183-L280 HydrophobicContact CD2-CD2 4.09Å
184V98.6Very high96.7Very high1 Ų119.7 Ų19.71%0.00611%0.113CC..EExtended strand (participates in β ladder)trans-100.1125.4161.7-175.10000107.6A15 I57 I61 P154 I186 I201 N202 P204A15-V184 HydrophobicContact CB-CG1 3.87Å; A15-V184 HydrophobicContact CB-CG2 4.07Å; I57-V184 HydrophobicContact CG2-CG1 4.46Å; I61-V184 HydrophobicContact CD1-CG1 4.2Å; P154-V184 WeakPolarHBondContact O-CG2 3.37Å; V184-I186 HydrophobicContact CG1-CG1 4.4Å; V184-I201 WeakPolarHBondContact O-CA 3.41Å; V184-N202 HydrophobicContact CB-CB 4.2Å; V184-N202 PolarHBondContact N-O 3.12Å; V184-N202 PolarHBondContact O-N 2.7Å; V184-P204 HydrophobicContact CG2-CG 4.12Å
185L98.9Very high96.9Very high0 Ų021 Ų210%012%0.118CC..EExtended strand (participates in β ladder)trans-116.7127.1-179.6-43.7175.6000110.6I152 D153 D156 L183 I201 D301 A304I152-L185 WeakPolarHBondContact CA-O 3.3Å; D153-L185 HydrophobicContact CB-CB 3.82Å; D153-L185 HydrophobicContact CB-CD1 3.91Å; D153-L185 HydrophobicContact CB-CG 4Å; D153-L185 PolarHBondContact N-O 3.13Å; D153-L185 PolarHBondContact O-N 3.12Å; D156-L185 HydrophobicContact CB-CD1 3.93Å; D156-L185 HydrophobicContact CB-CG 4.21Å; L183-L185 HydrophobicContact CB-CD2 3.79Å; L183-L185 HydrophobicContact CB-CG 4.44Å; L183-L185 HydrophobicContact CD1-CD2 4Å; L185-I201 HydrophobicContact CD2-CB 4.35Å; L185-I201 HydrophobicContact CD2-CG1 4.06Å; L185-I201 HydrophobicContact CD2-CG2 3.88Å; L185-D301 WeakPolarHBondContact CD1-O 3.14Å; L185-A304 HydrophobicContact CB-CB 3.99Å
186I98.8Very high97Very high0 Ų020.8 Ų20.80%012%0.117CC..EExtended strand (participates in β ladder)trans-128.9104.2174.6-46.6177.2000108.8L8 V11 A12 I61 I150 V184 G199 V200 A304L8-I186 HydrophobicContact CD1-CG2 4.23Å; L8-I186 HydrophobicContact CD2-CG2 3.97Å; V11-I186 HydrophobicContact CG2-CD1 3.9Å; A12-I186 HydrophobicContact CB-CD1 3.87Å; I61-I186 HydrophobicContact CD1-CD1 3.76Å; I61-I186 HydrophobicContact CD1-CG1 4.12Å; I61-I186 HydrophobicContact CG1-CD1 4.13Å; I61-I186 HydrophobicContact CG2-CD1 4.05Å; I150-I186 HydrophobicContact CG2-CG2 3.81Å; V184-I186 HydrophobicContact CG1-CG1 4.4Å; I186-G199 WeakPolarHBondContact O-CA 3.37Å; I186-V200 HydrophobicContact CB-CB 4.49Å; I186-V200 PolarHBondContact N-O 2.7Å; I186-V200 PolarHBondContact O-N 2.93Å; I186-A304 VanDerWaalsContact C-CB 3.42Å; I186-A304 WeakPolarHBondContact O-CB 3.41Å
187G98.8Very high97.1Very high1 Ų117.5 Ų17.51%0.0110%0.095CC..EExtended strand (participates in β ladder)trans-105137.9-178.400000111.7I150 W151I150-G187 CarbonylContact C-O 3.6Å; I150-G187 VanDerWaalsContact CA-O 3.23Å; I150-G187 WeakPolarHBondContact CA-O 3.35Å; W151-G187 PolarHBondContact N-O 3.49Å; W151-G187 PolarHBondContact O-N 2.87Å
188V98.5Very high97.2Very high0 Ų016.7 Ų16.70%09%0.09CC..EExtended strand (participates in β ladder)trans-117.7131.9178-170.40000108.9L8 L148 G149 I150 P196 V197 M198L8-V188 HydrophobicContact CD1-CG2 3.43Å; L8-V188 VanDerWaalsContact CD1-CG2 3.43Å; L148-V188 HydrophobicContact CB-CG1 3.89Å; L148-V188 HydrophobicContact CD1-CG1 3.96Å; L148-V188 HydrophobicContact CD2-CG1 4.19Å; L148-V188 HydrophobicContact CG-CG1 4.23Å; G149-V188 CarbonylContact O-C 3.59Å; G149-V188 WeakPolarHBondContact O-CA 3.35Å; I150-V188 HydrophobicContact CG1-CG2 4.3Å; V188-P196 WeakPolarHBondContact O-CA 3.39Å; V188-V197 HydrophobicContact CG1-CG2 4.25Å; V188-V197 PolarHBondContact O-N 3.28Å; V188-M198 HydrophobicContact CB-CB 3.94Å; V188-M198 WeakPolarHBondContact CB-O 3.44Å; V188-M198 HydrophobicContact CG2-CB 4.07Å; V188-M198 HydrophobicContact CG2-CG 4.16Å; V188-M198 HydrophobicContact CG2-SD 4.19Å; V188-M198 PolarHBondContact N-O 2.81Å; V188-M198 PolarHBondContact O-N 3.08Å
189Y98.3Very high97.4Very high8 Ų816.7 Ų16.73%0.0319%0.09CC..EExtended strand (participates in β ladder)trans-133.2157.2-177.971.2-86.2000112.3L148 G149 W151 R191 E195 H340L148-Y189 CarbonylContact C-O 3.56Å; L148-Y189 VanDerWaalsContact CA-O 3.3Å; L148-Y189 WeakPolarHBondContact CA-O 3.44Å; G149-Y189 PolarHBondContact N-O 3.38Å; G149-Y189 VanDerWaalsContact O-CD1 3.29Å; G149-Y189 WeakPolarHBondContact O-CD1 3.16Å; G149-Y189 PolarHBondContact O-N 2.91Å; W151-Y189 AromaticContact CD1-CD1 3.62Å; W151-Y189 AromaticContact CD1-CE1 3.44Å; W151-Y189 VanDerWaalsContact CD1-CE1 3.44Å; W151-Y189 HydrophobicContact CG-CE1 4.37Å; W151-Y189 AromaticContact NE1-CE1 3.49Å; Y189-R191 HydrophobicContact CE2-CG 4.49Å; Y189-E195 CarbonylContact C-O 3.57Å; Y189-E195 WeakPolarHBondContact CA-O 3.37Å; Y189-E195 WeakPolarHBondContact CB-O 3.49Å; Y189-H340 HydrophobicContact CD2-CB 4.24Å; Y189-H340 HydrophobicContact CE2-CB 3.77Å
190L97.4Very high97.6Very high22 Ų2216.7 Ų16.712%0.1159%0.09CC..EExtended strand (participates in β ladder)trans-75.4125172.4-75171.6000110.6L143 L148 S192 T193 G194 E195 V197L143-L190 HydrophobicContact CD1-CD2 3.92Å; L143-L190 HydrophobicContact CD2-CD2 3.81Å; L143-L190 HydrophobicContact CG-CD2 4.49Å; L148-L190 HydrophobicContact CD2-CD2 4.06Å; L190-S192 VanDerWaalsContact C-N 3.26Å; L190-S192 PolarHBondContact O-N 3.44Å; L190-T193 WeakPolarHBondContact CB-OG1 3.45Å; L190-T193 PolarHBondContact O-N 3.1Å; L190-G194 WeakPolarHBondContact O-CA 3.43Å; L190-G194 PolarHBondContact O-N 3.46Å; L190-E195 HydrophobicContact CD1-CB 4.39Å; L190-E195 PolarHBondContact N-O 2.74Å; L190-V197 HydrophobicContact CD1-CG1 3.8Å; L190-V197 HydrophobicContact CG-CG1 3.67Å
191R97.1Very high97.7Very high96 Ų9616.6 Ų16.636%0.3629%0.089SC..THydrogen-bonded Turntrans-65.3-30-179.5-69.2169.153.5-158.9-2.3113.4F75 S146 E147 L148 Y189F75-R191 VanDerWaalsContact CE1-CZ 3.43Å; F75-R191 VanDerWaalsContact CE2-CZ 3.41Å; F75-R191 VanDerWaalsContact CE2-NH1 3.35Å; S146-R191 PolarHBondContact O-NH1 2.98Å; E147-R191 WeakPolarHBondContact O-CB 3.25Å; E147-R191 WeakPolarHBondContact O-CG 3.36Å; E147-R191 PolarHBondContact O-N 2.87Å; L148-R191 WeakPolarHBondContact O-CD 3.43Å; Y189-R191 HydrophobicContact CE2-CG 4.49Å
192S96.1Very high97.8Very high95 Ų9516.6 Ų16.666%0.6649%0.089SC*.THydrogen-bonded Turntrans-74.5-35.6-177.451.30000113.4L190L190-S192 VanDerWaalsContact C-N 3.26Å; L190-S192 PolarHBondContact O-N 3.44Å
193T95.9Very high97.8Very high66 Ų6616.7 Ų16.741%0.4059%0.09SC..THydrogen-bonded Turntrans-116.8-20.6-173.561.40000113.3L190 E195 H340L190-T193 WeakPolarHBondContact CB-OG1 3.45Å; L190-T193 PolarHBondContact O-N 3.1Å; T193-E195 PolarHBondContact O-N 2.92Å; T193-E195 WeakPolarHBondContact OG1-CB 3.47Å; T193-E195 PolarHBondContact OG1-N 3.25Å; T193-H340 PolarHBondContact O-CE1 3.04Å
194G97.2Very high97.7Very high0 Ų016.8 Ų16.80%09%0.09CC..  trans748.7-169.400000114.8L190 T338 Y339 H340L190-G194 WeakPolarHBondContact O-CA 3.43Å; L190-G194 PolarHBondContact O-N 3.46Å; G194-T338 WeakPolarHBondContact O-CA 3.48Å; G194-Y339 VanDerWaalsContact O-CD2 3.27Å; G194-Y339 WeakPolarHBondContact O-CD2 3.38Å; G194-Y339 PolarHBondContact O-N 3.23Å; G194-H340 VanDerWaalsContact CA-CG 3.48Å; G194-H340 VanDerWaalsContact CA-ND1 3.28Å; G194-H340 WeakPolarHBondContact CA-ND1 3.42Å
195E97Very high97.5Very high56 Ų5616.8 Ų16.826%0.2629%0.09SC..  trans-69.8130178.9-177.9-176.9168.600110.8Y189 L190 T193 R310Y189-E195 CarbonylContact C-O 3.57Å; Y189-E195 WeakPolarHBondContact CA-O 3.37Å; Y189-E195 WeakPolarHBondContact CB-O 3.49Å; L190-E195 HydrophobicContact CD1-CB 4.39Å; L190-E195 PolarHBondContact N-O 2.74Å; T193-E195 PolarHBondContact O-N 2.92Å; T193-E195 WeakPolarHBondContact OG1-CB 3.47Å; T193-E195 PolarHBondContact OG1-N 3.25Å; E195-R310 IonicContact OE1-CZ 2.7Å; E195-R310 IonicContact OE1-NE 3.75Å; E195-R310 IonicContact OE1-NH2 3.97Å; E195-R310 PolarHBondContact OE1-NH2 2.85Å
196P97.8Very high97.2Very high1 Ų117.4 Ų17.41%0.0069%0.093CC..EExtended strand (participates in β ladder)trans-76.5127.1174.633.4-33.5000110.1V188 H306 A307 Y339V188-P196 WeakPolarHBondContact O-CA 3.39Å; P196-H306 HydrophobicContact CG-CB 4.1Å; P196-A307 HydrophobicContact CB-CB 4.16Å; P196-Y339 HydrophobicContact CB-CD2 3.97Å; P196-Y339 HydrophobicContact CB-CE2 3.81Å; P196-Y339 HydrophobicContact CG-CD2 4.06Å; P196-Y339 HydrophobicContact CG-CE2 3.58Å
197V97.1Very high96.7Very high0 Ų021.3 Ų21.30%011%0.114CC..EExtended strand (participates in β ladder)trans-118-20.9-170.9-67.90000114.3L143 L148 V188 L190 V223 S224L143-V197 HydrophobicContact CD1-CB 4.17Å; L143-V197 HydrophobicContact CD1-CG1 4.2Å; L143-V197 HydrophobicContact CD1-CG2 3.98Å; L148-V197 HydrophobicContact CD2-CG2 4.01Å; V188-V197 HydrophobicContact CG1-CG2 4.25Å; V188-V197 PolarHBondContact O-N 3.28Å; L190-V197 HydrophobicContact CD1-CG1 3.8Å; L190-V197 HydrophobicContact CG-CG1 3.67Å; V197-V223 WeakPolarHBondContact O-CA 3.39Å; V197-S224 VanDerWaalsContact CA-O 3.29Å; V197-S224 WeakPolarHBondContact CA-O 3.41Å; V197-S224 PolarHBondContact O-N 3.18Å
198M97.2Very high96.1Very high0 Ų026.2 Ų26.20%014%0.135CC..EExtended strand (participates in β ladder)trans-150.9144.7177.5171.9-171.4-55.600109.5M1 L4 L5 L8 V188 G222 V223M1-M198 HydrophobicContact CE-CE 3.61Å; M1-M198 HydrophobicContact SD-CE 4.2Å; L4-M198 HydrophobicContact CG-SD 4.41Å; L5-M198 HydrophobicContact CB-CE 3.91Å; L5-M198 HydrophobicContact CB-SD 3.8Å; L5-M198 HydrophobicContact CD1-CG 4.12Å; L5-M198 HydrophobicContact CD1-SD 3.98Å; L5-M198 HydrophobicContact CG-SD 4.47Å; L8-M198 HydrophobicContact CD1-SD 3.91Å; V188-M198 HydrophobicContact CB-CB 3.94Å; V188-M198 WeakPolarHBondContact CB-O 3.44Å; V188-M198 HydrophobicContact CG2-CB 4.07Å; V188-M198 HydrophobicContact CG2-CG 4.16Å; V188-M198 HydrophobicContact CG2-SD 4.19Å; V188-M198 PolarHBondContact N-O 2.81Å; V188-M198 PolarHBondContact O-N 3.08Å; M198-G222 CarbonylContact C-O 3.49Å; M198-G222 VanDerWaalsContact CA-O 3.27Å; M198-G222 WeakPolarHBondContact CA-O 3.38Å; M198-V223 HydrophobicContact CB-CG2 4.25Å; M198-V223 HydrophobicContact CE-CG2 4.06Å; M198-V223 HydrophobicContact CG-CG2 4.04Å
199G98.1Very high95.2Very high0 Ų028.9 Ų28.90%015%0.15CC..EExtended strand (participates in β ladder)trans-145.9146.5176.600000111.6I186 W221 G222 L308I186-G199 WeakPolarHBondContact O-CA 3.37Å; G199-W221 VanDerWaalsContact O-CA 3.23Å; G199-W221 WeakPolarHBondContact O-CA 3.38Å; G199-W221 WeakPolarHBondContact O-CB 3.31Å; G199-G222 PolarHBondContact N-O 3.05Å; G199-G222 PolarHBondContact O-N 3.39Å; G199-L308 WeakPolarHBondContact O-CD1 3.37Å
200V98.4Very high94.1Very high0 Ų035 Ų350%019%0.19CC..EExtended strand (participates in β ladder)trans-125.6130.4168.3179.10000108.1L5 L8 L9 A12 I186 Y220 W221L5-V200 HydrophobicContact CD1-CG2 3.91Å; L8-V200 HydrophobicContact CB-CG2 3.76Å; L9-V200 HydrophobicContact CD2-CG1 3.95Å; L9-V200 HydrophobicContact CD2-CG2 4.27Å; L9-V200 HydrophobicContact CG-CG2 4.31Å; A12-V200 HydrophobicContact CB-CG1 3.64Å; I186-V200 HydrophobicContact CB-CB 4.49Å; I186-V200 PolarHBondContact N-O 2.7Å; I186-V200 PolarHBondContact O-N 2.93Å; V200-Y220 WeakPolarHBondContact CA-O 3.5Å; V200-W221 HydrophobicContact CG2-CB 4.3Å
201I98.7Very high93Very high0 Ų037.8 Ų37.80%022%0.216CC..EExtended strand (participates in β ladder)trans-117.6123.5170.7-56.2175.3000106.4L183 V184 L185 H219 Y220 L280 I283 P305 L308L183-I201 HydrophobicContact CB-CG2 4.39Å; L183-I201 HydrophobicContact CD1-CG2 3.81Å; L183-I201 HydrophobicContact CD2-CG2 4.25Å; L183-I201 HydrophobicContact CG-CG2 4.4Å; V184-I201 WeakPolarHBondContact O-CA 3.41Å; L185-I201 HydrophobicContact CD2-CB 4.35Å; L185-I201 HydrophobicContact CD2-CG1 4.06Å; L185-I201 HydrophobicContact CD2-CG2 3.88Å; I201-H219 CarbonylContact O-C 3.55Å; I201-H219 WeakPolarHBondContact O-CA 3.34Å; I201-Y220 HydrophobicContact CB-CD2 4.27Å; I201-Y220 HydrophobicContact CG2-CD2 4.2Å; I201-Y220 PolarHBondContact N-O 3.38Å; I201-Y220 PolarHBondContact O-N 3.21Å; I201-L280 HydrophobicContact CD1-CD1 4.17Å; I201-L280 HydrophobicContact CG2-CD2 4.3Å; I201-I283 HydrophobicContact CD1-CD1 3.87Å; I201-P305 HydrophobicContact CD1-CB 3.76Å; I201-L308 HydrophobicContact CD1-CD1 4.47Å; I201-L308 HydrophobicContact CD1-CD2 3.91Å; I201-L308 HydrophobicContact CG1-CD1 4.41Å; I201-L308 HydrophobicContact CG1-CD2 4.34Å
202N98.1Very high91.5Very high0 Ų036 Ų360%023%0.228CC..EExtended strand (participates in β ladder)trans-111.3129.1168.3-165.1-48.1000109A12 E13 A16 L183 V184 P204A12-N202 HydrophobicContact CB-CB 4.04Å; A12-N202 PolarHBondContact O-ND2 2.97Å; E13-N202 PolarHBondContact OE2-ND2 3.36Å; A16-N202 WeakPolarHBondContact CB-OD1 3.49Å; L183-N202 CarbonylContact C-O 3.46Å; L183-N202 WeakPolarHBondContact CA-O 3.49Å; V184-N202 HydrophobicContact CB-CB 4.2Å; V184-N202 PolarHBondContact N-O 3.12Å; V184-N202 PolarHBondContact O-N 2.7Å; N202-P204 WeakPolarHBondContact O-CD 3.07Å
203Q97.4Very high90Very high3 Ų336.9 Ų36.91%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-102.497172.1-173.1177.524.300107.8H180 L183 F205 N206 G217 K218 Y220H180-Q203 PolarHBondContact O-NE2 3.32Å; L183-Q203 HydrophobicContact CD2-CB 3.54Å; L183-Q203 HydrophobicContact CD2-CG 3.61Å; Q203-F205 VanDerWaalsContact C-N 3.25Å; Q203-F205 PolarHBondContact O-N 3.15Å; Q203-N206 HydrophobicContact CB-CB 4.43Å; Q203-N206 HydrophobicContact CG-CB 4.12Å; Q203-N206 PolarHBondContact OE1-ND2 2.82Å; Q203-G217 CarbonylContact O-C 3.55Å; Q203-G217 WeakPolarHBondContact O-CA 3.44Å; Q203-K218 PolarHBondContact N-O 3.47Å; Q203-K218 PolarHBondContact O-N 3.24Å; Q203-Y220 HydrophobicContact CB-CE2 4.29Å; Q203-Y220 PolarHBondContact OE1-OH 3.45Å
204P95.8Very high89.4Confident3 Ų334.5 Ų34.52%0.01922%0.218CC..EExtended strand (participates in β ladder)trans-64.9-31.1-170.5-22.735.3000113.2A16 A19 R20 A182 V184 N202 G217A16-P204 HydrophobicContact CB-CB 3.77Å; A16-P204 HydrophobicContact CB-CG 3.79Å; A19-P204 HydrophobicContact CB-CB 4.49Å; A19-P204 HydrophobicContact CB-CG 4.39Å; R20-P204 HydrophobicContact CG-CB 4.27Å; R20-P204 PolarHBondContact NH1-O 3.39Å; A182-P204 VanDerWaalsContact O-CD 3.25Å; A182-P204 WeakPolarHBondContact O-CD 3.42Å; V184-P204 HydrophobicContact CG2-CG 4.12Å; N202-P204 WeakPolarHBondContact O-CD 3.07Å; P204-G217 WeakPolarHBondContact O-CA 3.5Å
205F94.9Very high89.1Confident2 Ų236 Ų361%0.00922%0.224CC..EExtended strand (participates in β ladder)trans-111.455.7-174.5-51.7-79.1000110.9R20 R23 Y161 L179 H180 A182 Q203 W215R20-F205 HydrophobicContact CB-CE1 4.43Å; R20-F205 HydrophobicContact CG-CD1 4.28Å; R20-F205 HydrophobicContact CG-CE1 3.77Å; R20-F205 HydrophobicContact CG-CZ 4.16Å; R23-F205 HydrophobicContact CG-CZ 4.21Å; Y161-F205 AromaticContact CD2-CE2 3.76Å; Y161-F205 HydrophobicContact CD2-CE2 3.76Å; Y161-F205 HydrophobicContact CD2-CZ 4.15Å; Y161-F205 AromaticContact CE2-CE2 3.87Å; Y161-F205 HydrophobicContact CE2-CE2 3.87Å; Y161-F205 AromaticContact CE2-CZ 3.83Å; Y161-F205 HydrophobicContact CE2-CZ 3.83Å; L179-F205 HydrophobicContact CB-CB 3.74Å; L179-F205 HydrophobicContact CB-CD1 4.46Å; L179-F205 HydrophobicContact CB-CD2 4.09Å; L179-F205 HydrophobicContact CB-CG 3.85Å; L179-F205 HydrophobicContact CD1-CD1 4.03Å; L179-F205 HydrophobicContact CD1-CE1 4.39Å; L179-F205 HydrophobicContact CD1-CG 4.24Å; L179-F205 HydrophobicContact CD2-CD2 4.15Å; L179-F205 HydrophobicContact CD2-CE2 4.23Å; L179-F205 HydrophobicContact CD2-CG 4.44Å; L179-F205 HydrophobicContact CG-CG 4.42Å; H180-F205 PolarHBondContact CE1-O 3.39Å; H180-F205 PolarHBondContact ND1-O 3.43Å; A182-F205 HydrophobicContact CB-CD2 4.47Å; Q203-F205 VanDerWaalsContact C-N 3.25Å; Q203-F205 PolarHBondContact O-N 3.15Å; F205-W215 VanDerWaalsContact C-CE3 3.44Å; F205-W215 VanDerWaalsContact CA-CE3 3.45Å; F205-W215 HydrophobicContact CB-CD2 3.94Å; F205-W215 HydrophobicContact CB-CE3 3.69Å; F205-W215 HydrophobicContact CB-CH2 4.37Å; F205-W215 HydrophobicContact CB-CZ3 3.91Å; F205-W215 HydrophobicContact CD1-CB 4.01Å; F205-W215 AromaticContact CD1-CD1 3.74Å; F205-W215 AromaticContact CD1-CD2 3.78Å; F205-W215 HydrophobicContact CD1-CD2 3.78Å; F205-W215 HydrophobicContact CD1-CE3 4.39Å; F205-W215 AromaticContact CD1-CG 3.59Å; F205-W215 HydrophobicContact CD1-CG 3.59Å; F205-W215 AromaticContact CD1-NE1 4Å; F205-W215 HydrophobicContact CE1-CG 4.36Å; F205-W215 HydrophobicContact CG-CD2 4.37Å; F205-W215 VanDerWaalsContact O-CZ3 3.27Å; F205-W215 WeakPolarHBondContact O-CZ3 3.44Å
206N93.2Very high88.7Confident12 Ų1241.9 Ų41.96%0.06424%0.244CC..EExtended strand (participates in β ladder)trans-85.2-52.7-178.6-179.2-102.8000112.3L169 H180 Q203 R216 K218L169-N206 WeakPolarHBondContact CD2-O 3.43Å; H180-N206 PolarHBondContact CE1-O 3.17Å; Q203-N206 HydrophobicContact CB-CB 4.43Å; Q203-N206 HydrophobicContact CG-CB 4.12Å; Q203-N206 PolarHBondContact OE1-ND2 2.82Å; N206-R216 PolarHBondContact N-O 2.98Å; N206-K218 HydrophobicContact CB-CB 3.77Å
207N88.4Confident88.5Confident82 Ų8242.6 Ų42.644%0.43925%0.251SS..EExtended strand (participates in β ladder)trans-122.2125.4179-65.6-62000110.7R216N207-R216 HydrophobicContact CB-CB 4.37Å; N207-R216 PolarHBondContact N-O 2.82Å; N207-R216 PolarHBondContact O-N 3.17Å
208K85.9Confident88.3Confident104 Ų10446.5 Ų46.545%0.45227%0.268SS..EExtended strand (participates in β ladder)trans-87.6128.4170.8-162.3176.6-175.8-174.10109.1E166 P210 W215E166-K208 IonicContact OE1-NZ 2.59Å; E166-K208 IonicContact OE2-NZ 2.91Å; E166-K208 PolarHBondContact OE2-NZ 3.47Å; K208-P210 WeakPolarHBondContact O-CD 3.42Å; K208-W215 HydrophobicContact CB-CD2 4.13Å; K208-W215 HydrophobicContact CB-CE3 3.94Å; K208-W215 HydrophobicContact CB-CH2 4.05Å; K208-W215 HydrophobicContact CB-CZ2 4.21Å; K208-W215 HydrophobicContact CB-CZ3 3.91Å; K208-W215 HydrophobicContact CD-CH2 4.47Å; K208-W215 HydrophobicContact CD-CZ2 3.94Å; K208-W215 HydrophobicContact CG-CD2 4.2Å; K208-W215 HydrophobicContact CG-CZ2 4.24Å
209D80.1Confident88.1Confident57 Ų5749.1 Ų49.131%0.30528%0.28SS..  trans-61.1123.5176-176.4-7.5000109.8A211 G212 T213 G214D209-A211 PolarHBondContact O-N 3.23Å; D209-A211 WeakPolarHBondContact OD1-CB 3.2Å; D209-A211 PolarHBondContact OD1-N 2.88Å; D209-G212 PolarHBondContact O-N 3.3Å; D209-T213 WeakPolarHBondContact OD2-CB 3.43Å; D209-T213 WeakPolarHBondContact OD2-CG2 3.49Å; D209-T213 PolarHBondContact OD2-OG1 2.73Å; D209-G214 PolarHBondContact N-O 2.71Å
210P74.3Confident88Confident136 Ų13649.1 Ų49.188%0.88328%0.28SS*.THydrogen-bonded Turntrans-55.7-27.9174.5-25.534.7000114K208 G212K208-P210 WeakPolarHBondContact O-CD 3.42Å; P210-G212 PolarHBondContact O-N 2.78Å
211A74.1Confident88Confident80 Ų8049.9 Ų49.966%0.66128%0.283SS*.THydrogen-bonded Turntrans-78.3-2.2175.900000113.4D209 T213D209-A211 PolarHBondContact O-N 3.23Å; D209-A211 WeakPolarHBondContact OD1-CB 3.2Å; D209-A211 PolarHBondContact OD1-N 2.88Å; A211-T213 HydrophobicContact CB-CG2 4.2Å
212G65.2Low87.8Confident59 Ų5949.9 Ų49.961%0.60828%0.283SS*.SBendtrans79.411176.300000114.9D209 P210 G214D209-G212 PolarHBondContact O-N 3.3Å; P210-G212 PolarHBondContact O-N 2.78Å; G212-G214 VanDerWaalsContact C-N 3.29Å; G212-G214 PolarHBondContact O-N 3.06Å
213T65.9Low87.7Confident113 Ų11349.9 Ų49.969%0.69328%0.283SS*.SBendtrans-76.2-12.9-17576.50000114.2D209 A211D209-T213 WeakPolarHBondContact OD2-CB 3.43Å; D209-T213 WeakPolarHBondContact OD2-CG2 3.49Å; D209-T213 PolarHBondContact OD2-OG1 2.73Å; A211-T213 HydrophobicContact CB-CG2 4.2Å
214G83.2Confident87.5Confident16 Ų1650.1 Ų50.117%0.16529%0.285CS..  trans147.7-164.7174.700000114.1D209 G212D209-G214 PolarHBondContact N-O 2.71Å; G212-G214 VanDerWaalsContact C-N 3.29Å; G212-G214 PolarHBondContact O-N 3.06Å
215W90.8Very high87.3Confident31 Ų3150.6 Ų50.612%0.11729%0.289CS..EExtended strand (participates in β ladder)trans-102.6139.5177.5-74.794.6000110.6R20 E166 L179 H180 F205 K208R20-W215 VanDerWaalsContact CD-O 3.26Å; R20-W215 WeakPolarHBondContact CD-O 3.25Å; R20-W215 HydrophobicContact CG-CB 4.27Å; E166-W215 HydrophobicContact CB-CZ2 4.2Å; E166-W215 HydrophobicContact CG-CZ2 3.97Å; E166-W215 PolarHBondContact OE1-NE1 2.92Å; L179-W215 HydrophobicContact CD1-CZ2 4.11Å; H180-W215 AromaticContact CE1-CH2 3.94Å; H180-W215 AromaticContact CE1-CZ3 3.67Å; F205-W215 VanDerWaalsContact C-CE3 3.44Å; F205-W215 VanDerWaalsContact CA-CE3 3.45Å; F205-W215 HydrophobicContact CB-CD2 3.94Å; F205-W215 HydrophobicContact CB-CE3 3.69Å; F205-W215 HydrophobicContact CB-CH2 4.37Å; F205-W215 HydrophobicContact CB-CZ3 3.91Å; F205-W215 HydrophobicContact CD1-CB 4.01Å; F205-W215 AromaticContact CD1-CD1 3.74Å; F205-W215 AromaticContact CD1-CD2 3.78Å; F205-W215 HydrophobicContact CD1-CD2 3.78Å; F205-W215 HydrophobicContact CD1-CE3 4.39Å; F205-W215 AromaticContact CD1-CG 3.59Å; F205-W215 HydrophobicContact CD1-CG 3.59Å; F205-W215 AromaticContact CD1-NE1 4Å; F205-W215 HydrophobicContact CE1-CG 4.36Å; F205-W215 HydrophobicContact CG-CD2 4.37Å; F205-W215 VanDerWaalsContact O-CZ3 3.27Å; F205-W215 WeakPolarHBondContact O-CZ3 3.44Å; K208-W215 HydrophobicContact CB-CD2 4.13Å; K208-W215 HydrophobicContact CB-CE3 3.94Å; K208-W215 HydrophobicContact CB-CH2 4.05Å; K208-W215 HydrophobicContact CB-CZ2 4.21Å; K208-W215 HydrophobicContact CB-CZ3 3.91Å; K208-W215 HydrophobicContact CD-CH2 4.47Å; K208-W215 HydrophobicContact CD-CZ2 3.94Å; K208-W215 HydrophobicContact CG-CD2 4.2Å; K208-W215 HydrophobicContact CG-CZ2 4.24Å
216R88.9Confident86.9Confident181 Ų18154.1 Ų54.168%0.68333%0.325SS*.EExtended strand (participates in β ladder)trans-106.9129.9169.5-173-170.2-56.4-115.2-1.1109.1N206 N207N206-R216 PolarHBondContact N-O 2.98Å; N207-R216 HydrophobicContact CB-CB 4.37Å; N207-R216 PolarHBondContact N-O 2.82Å; N207-R216 PolarHBondContact O-N 3.17Å
217G91.9Very high86.5Confident16 Ų1659.3 Ų59.317%0.16536%0.362CS..EExtended strand (participates in β ladder)trans-81.7167.4177.500000112.9R20 Q203 P204R20-G217 VanDerWaalsContact NH1-CA 3.28Å; Q203-G217 CarbonylContact O-C 3.55Å; Q203-G217 WeakPolarHBondContact O-CA 3.44Å; P204-G217 WeakPolarHBondContact O-CA 3.5Å
218K93.7Very high86.6Confident81 Ų8156.8 Ų56.835%0.35235%0.35SS..EExtended strand (participates in β ladder)trans-133.8135.9168.6-175.7167.6171.2-167.60108.9Q203 N206 Y220 E233Q203-K218 PolarHBondContact N-O 3.47Å; Q203-K218 PolarHBondContact O-N 3.24Å; N206-K218 HydrophobicContact CB-CB 3.77Å; K218-Y220 HydrophobicContact CB-CE2 4.4Å; K218-Y220 HydrophobicContact CD-CE1 4.08Å; K218-Y220 VanDerWaalsContact CD-OH 3.26Å; K218-Y220 WeakPolarHBondContact CD-OH 3.34Å; K218-Y220 VanDerWaalsContact CE-CE1 3.47Å; K218-Y220 HydrophobicContact CG-CE1 4.21Å; K218-Y220 HydrophobicContact CG-CE2 4.1Å; K218-E233 IonicContact NZ-OE1 2.69Å
219H93.8Very high86.9Confident56 Ų5655.6 Ų55.626%0.25935%0.349SS..EExtended strand (participates in β ladder)trans-110.7147.2179.756.4-89.2000110.7L9 I201L9-H219 HydrophobicContact CD2-CB 4.36Å; I201-H219 CarbonylContact O-C 3.55Å; I201-H219 WeakPolarHBondContact O-CA 3.34Å
220Y96.3Very high87.5Confident0 Ų056.2 Ų56.20%035%0.351CS..EExtended strand (participates in β ladder)trans-131.3142.6176-46.9-93.6000107.9V200 I201 Q203 K218 S232 E233 L280 Q284V200-Y220 WeakPolarHBondContact CA-O 3.5Å; I201-Y220 HydrophobicContact CB-CD2 4.27Å; I201-Y220 HydrophobicContact CG2-CD2 4.2Å; I201-Y220 PolarHBondContact N-O 3.38Å; I201-Y220 PolarHBondContact O-N 3.21Å; Q203-Y220 HydrophobicContact CB-CE2 4.29Å; Q203-Y220 PolarHBondContact OE1-OH 3.45Å; K218-Y220 HydrophobicContact CB-CE2 4.4Å; K218-Y220 HydrophobicContact CD-CE1 4.08Å; K218-Y220 VanDerWaalsContact CD-OH 3.26Å; K218-Y220 WeakPolarHBondContact CD-OH 3.34Å; K218-Y220 VanDerWaalsContact CE-CE1 3.47Å; K218-Y220 HydrophobicContact CG-CE1 4.21Å; K218-Y220 HydrophobicContact CG-CE2 4.1Å; Y220-S232 WeakPolarHBondContact CA-OG 3.19Å; Y220-E233 HydrophobicContact CD1-CG 3.78Å; Y220-E233 WeakPolarHBondContact CD1-OE1 3.39Å; Y220-E233 HydrophobicContact CE1-CG 4.37Å; Y220-E233 WeakPolarHBondContact CE1-OE1 3.33Å; Y220-L280 HydrophobicContact CD1-CD1 4.08Å; Y220-L280 HydrophobicContact CD2-CD1 3.7Å; Y220-L280 HydrophobicContact CD2-CD2 4.18Å; Y220-L280 HydrophobicContact CE1-CD1 4.2Å; Y220-L280 HydrophobicContact CE2-CD1 3.86Å; Y220-L280 HydrophobicContact CE2-CD2 3.75Å; Y220-L280 HydrophobicContact CE2-CG 4.41Å; Y220-L280 HydrophobicContact CG-CD1 3.81Å; Y220-Q284 HydrophobicContact CE1-CG 4.35Å; Y220-Q284 PolarHBondContact OH-NE2 2.95Å
221W96.6Very high88.4Confident16 Ų1651 Ų516%0.06132%0.317CS..EExtended strand (participates in β ladder)trans-146.7157.717862.2-91.3000112L5 L9 T136 G199 V200 V223 I230 C231 S232L5-W221 HydrophobicContact CD1-CB 4.06Å; L5-W221 HydrophobicContact CD1-CD2 4.44Å; L5-W221 HydrophobicContact CD1-CE3 4.32Å; L5-W221 HydrophobicContact CD1-CG 4.36Å; L5-W221 HydrophobicContact CD2-CD2 4.02Å; L5-W221 HydrophobicContact CD2-CE3 3.52Å; L5-W221 HydrophobicContact CD2-CH2 4.29Å; L5-W221 HydrophobicContact CD2-CZ3 3.67Å; L9-W221 HydrophobicContact CD1-CG 4.49Å; L9-W221 HydrophobicContact CD2-CB 4.17Å; L9-W221 HydrophobicContact CD2-CG 4.22Å; T136-W221 HydrophobicContact CG2-CH2 4.5Å; T136-W221 HydrophobicContact CG2-CZ2 4.21Å; G199-W221 VanDerWaalsContact O-CA 3.23Å; G199-W221 WeakPolarHBondContact O-CA 3.38Å; G199-W221 WeakPolarHBondContact O-CB 3.31Å; V200-W221 HydrophobicContact CG2-CB 4.3Å; W221-V223 HydrophobicContact CE3-CG2 4.41Å; W221-V223 HydrophobicContact CZ3-CG2 4.41Å; W221-I230 HydrophobicContact CH2-CG2 3.58Å; W221-I230 HydrophobicContact CZ3-CB 4.4Å; W221-I230 HydrophobicContact CZ3-CG2 3.69Å; W221-C231 CarbonylContact O-C 3.59Å; W221-C231 WeakPolarHBondContact O-CA 3.38Å; W221-C231 PolarHBondContact O-SG 2.86Å; W221-S232 PolarHBondContact N-OG 2.74Å; W221-S232 PolarHBondContact O-N 3.42Å; W221-S232 PolarHBondContact O-OG 2.8Å
222G95.4Very high89.3Confident0 Ų049.3 Ų49.30%030%0.301CS..EExtended strand (participates in β ladder)trans-154.4148.6177.900000111.5M198 G199 I230M198-G222 CarbonylContact C-O 3.49Å; M198-G222 VanDerWaalsContact CA-O 3.27Å; M198-G222 WeakPolarHBondContact CA-O 3.38Å; G199-G222 PolarHBondContact N-O 3.05Å; G199-G222 PolarHBondContact O-N 3.39Å; G222-I230 CarbonylContact C-O 3.56Å; G222-I230 VanDerWaalsContact CA-O 3.29Å; G222-I230 WeakPolarHBondContact CA-O 3.35Å
223V95.2Very high90.6Very high0 Ų048.6 Ų48.60%028%0.282CS..EExtended strand (participates in β ladder)trans-133.1124.1175.9177.10000108.1L5 L139 V141 V197 M198 W221 T228 N229 I230 A311L5-V223 HydrophobicContact CD2-CG2 4.08Å; L139-V223 HydrophobicContact CD2-CG2 4.11Å; V141-V223 HydrophobicContact CG1-CG1 4.2Å; V141-V223 HydrophobicContact CG2-CG1 3.66Å; V197-V223 WeakPolarHBondContact O-CA 3.39Å; M198-V223 HydrophobicContact CB-CG2 4.25Å; M198-V223 HydrophobicContact CE-CG2 4.06Å; M198-V223 HydrophobicContact CG-CG2 4.04Å; W221-V223 HydrophobicContact CE3-CG2 4.41Å; W221-V223 HydrophobicContact CZ3-CG2 4.41Å; V223-T228 HydrophobicContact CG1-CG2 4.44Å; V223-N229 WeakPolarHBondContact O-CA 3.48Å; V223-I230 PolarHBondContact N-O 3.13Å; V223-I230 PolarHBondContact O-N 3.32Å; V223-A311 WeakPolarHBondContact O-CB 3.26Å
224S94.1Very high91.5Very high7 Ų747.8 Ų47.85%0.04928%0.281CS..EExtended strand (participates in β ladder)trans-131.1106.5175-173.30000108.5V197 T228 N229V197-S224 VanDerWaalsContact CA-O 3.29Å; V197-S224 WeakPolarHBondContact CA-O 3.41Å; V197-S224 PolarHBondContact O-N 3.18Å; S224-T228 CarbonylContact C-O 3.58Å; S224-T228 WeakPolarHBondContact CA-O 3.43Å; S224-N229 WeakPolarHBondContact CB-OD1 3.48Å; S224-N229 PolarHBondContact OG-OD1 3.01Å
225C90.9Very high91Very high14 Ų1454.9 Ų54.910%0.09530%0.303CS..EExtended strand (participates in β ladder)trans-155120.1179.7178.70000110.4V141 L143 S227 T228V141-C225 HydrophobicContact CG1-CB 3.72Å; L143-C225 HydrophobicContact CD1-CB 4.28Å; L143-C225 WeakPolarHBondContact CD1-SG 3.45Å; C225-S227 PolarHBondContact O-N 3.47Å; C225-T228 PolarHBondContact N-O 2.77Å; C225-T228 WeakPolarHBondContact O-CB 3.4Å; C225-T228 PolarHBondContact O-N 2.74Å
226G86.5Confident89.8Confident76 Ų7656.6 Ų56.678%0.78432%0.317SS*.THydrogen-bonded Turntrans57.8-122.1-176.600000111
227S86.1Confident88.5Confident120 Ų12050.8 Ų50.884%0.83931%0.314SS*.THydrogen-bonded Turntrans-84.2-8.5176.556.40000114.1C225C225-S227 PolarHBondContact O-N 3.47Å
228T89.4Confident86.7Confident29 Ų2959.2 Ų59.218%0.17835%0.349CS..EExtended strand (participates in β ladder)trans-88.7115.7-176.2-59.90000110L139 V223 S224 C225 I230L139-T228 HydrophobicContact CD1-CG2 4.02Å; V223-T228 HydrophobicContact CG1-CG2 4.44Å; S224-T228 CarbonylContact C-O 3.58Å; S224-T228 WeakPolarHBondContact CA-O 3.43Å; C225-T228 PolarHBondContact N-O 2.77Å; C225-T228 WeakPolarHBondContact O-CB 3.4Å; C225-T228 PolarHBondContact O-N 2.74Å; T228-I230 HydrophobicContact CG2-CD1 3.88Å; T228-I230 HydrophobicContact CG2-CG1 4.27Å
229N92.5Very high84.9Confident79 Ų7961.8 Ų61.842%0.42236%0.357SS..EExtended strand (participates in β ladder)trans-133.2101.6174.3-69.4-68.3000108.7V223 S224V223-N229 WeakPolarHBondContact O-CA 3.48Å; S224-N229 WeakPolarHBondContact CB-OD1 3.48Å; S224-N229 PolarHBondContact OG-OD1 3.01Å
230I92.4Very high82.6Confident70 Ų7064.7 Ų64.736%0.35938%0.383SS..EExtended strand (participates in β ladder)trans-133131.5-176-63.5166.9000108L139 W221 G222 V223 T228 A311L139-I230 HydrophobicContact CD1-CD1 3.35Å; L139-I230 HydrophobicContact CD1-CG1 4.49Å; W221-I230 HydrophobicContact CH2-CG2 3.58Å; W221-I230 HydrophobicContact CZ3-CB 4.4Å; W221-I230 HydrophobicContact CZ3-CG2 3.69Å; G222-I230 CarbonylContact C-O 3.56Å; G222-I230 VanDerWaalsContact CA-O 3.29Å; G222-I230 WeakPolarHBondContact CA-O 3.35Å; V223-I230 PolarHBondContact N-O 3.13Å; V223-I230 PolarHBondContact O-N 3.32Å; T228-I230 HydrophobicContact CG2-CD1 3.88Å; T228-I230 HydrophobicContact CG2-CG1 4.27Å; I230-A311 WeakPolarHBondContact O-CB 3.44Å
231C93.6Very high80.5Confident26 Ų2673.9 Ų73.918%0.17643%0.426CS..EExtended strand (participates in β ladder)trans-134.8147.5177.2-1700000109.4W221 E233 A311 L312W221-C231 CarbonylContact O-C 3.59Å; W221-C231 WeakPolarHBondContact O-CA 3.38Å; W221-C231 PolarHBondContact O-SG 2.86Å; C231-E233 PolarHBondContact O-N 2.72Å; C231-E233 PolarHBondContact SG-N 3.1Å; C231-A311 HydrophobicContact CB-CB 4.06Å; C231-L312 HydrophobicContact CB-CD2 3.88Å; C231-L312 HydrophobicContact CB-CG 4.06Å
232S93.3Very high78.7Confident45 Ų4575.1 Ų75.132%0.31544%0.444SS..SBendtrans-65.8-23.7171.563.20000112.5Y220 W221Y220-S232 WeakPolarHBondContact CA-OG 3.19Å; W221-S232 PolarHBondContact N-OG 2.74Å; W221-S232 PolarHBondContact O-N 3.42Å; W221-S232 PolarHBondContact O-OG 2.8Å
233E91.6Very high77.9Confident45 Ų4577.2 Ų77.221%0.2147%0.466CS..SBendtrans-94145.7174.5-71.3-63.5148.600110.6K218 Y220 C231 I283 L312K218-E233 IonicContact NZ-OE1 2.69Å; Y220-E233 HydrophobicContact CD1-CG 3.78Å; Y220-E233 WeakPolarHBondContact CD1-OE1 3.39Å; Y220-E233 HydrophobicContact CE1-CG 4.37Å; Y220-E233 WeakPolarHBondContact CE1-OE1 3.33Å; C231-E233 PolarHBondContact O-N 2.72Å; C231-E233 PolarHBondContact SG-N 3.1Å; E233-I283 HydrophobicContact CB-CG2 4.22Å; E233-I283 HydrophobicContact CG-CG2 4.06Å; E233-L312 WeakPolarHBondContact O-CD2 3.33Å
234S84.9Confident77.7Confident95 Ų9578.3 Ų78.366%0.66447%0.472SS*.PPolyproline II helixtrans-85.4153.6177.1-60.50000110.7P236 R362S234-P236 WeakPolarHBondContact O-CD 3.35Å; S234-R362 PolarHBondContact O-NH2 3.03Å
235R73.9Confident77.7Confident166 Ų16678.5 Ų78.563%0.62647%0.473SS*.PPolyproline II helixtrans-64.7123.8158.2-72.9-171.8-178.4179.16.3108G237 L312R235-G237 PolarHBondContact O-N 3.29Å; R235-L312 HydrophobicContact CG-CD2 4.1Å; R235-L312 PolarHBondContact NE-O 3.07Å; R235-L312 VanDerWaalsContact NH2-C 3.33Å; R235-L312 PolarHBondContact NH2-O 3.03Å
236P64.9Low78.1Confident66 Ų6677.9 Ų77.943%0.42947%0.469SS..PPolyproline II helixtrans-57.8142.9169.823.4-29.4000107.4S234S234-P236 WeakPolarHBondContact O-CD 3.35Å
237G60.5Low78.6Confident60 Ų6074.2 Ų74.262%0.61943%0.431SS*.PPolyproline II helixtrans-54.9157.1172.500000110.6R235 R239R235-G237 PolarHBondContact O-N 3.29Å; G237-R239 PolarHBondContact O-N 3.41Å
238E55.8Low79.2Confident192 Ų19268.5 Ų68.590%0.89739%0.391SS*.  trans-46.7113.3174.9-74.2-177.1165.800109.4S240E238-S240 PolarHBondContact O-N 2.92Å; E238-S240 VanDerWaalsContact O-N 3.07Å
239R56.1Low79.4Confident135 Ų13568.4 Ų68.451%0.50939%0.392SS..  trans-71105.6174.5-80.3-176.6168.9170.5-1107G237 E241 G285 D288G237-R239 PolarHBondContact O-N 3.41Å; R239-E241 PolarHBondContact O-N 3.5Å; R239-G285 PolarHBondContact NH2-O 3.19Å; R239-D288 IonicContact NH1-OD1 3.76Å
240S45.3Very low79.4Confident117 Ų11768.8 Ų68.882%0.81840%0.401SS*.SBendtrans-65-20.4-174.7-48.40000114.3E238E238-S240 PolarHBondContact O-N 2.92Å; E238-S240 VanDerWaalsContact O-N 3.07Å
241E51.2Low79.4Confident193 Ų19370.3 Ų70.390%0.90242%0.418SS*.SBendtrans-149.617.3-173-67.7-169.9154.200116.2R239R239-E241 PolarHBondContact O-N 3.5Å
242G59.9Low79.5Confident43 Ų4369.5 Ų69.544%0.44341%0.411SS..  trans-97.8105.4-177.200000113.6
243G77.7Confident79.6Confident44 Ų4471.3 Ų71.345%0.45441%0.413SS..  trans-57.5158.6168.300000113.6K268G243-K268 WeakPolarHBondContact O-CD 3.17Å; G243-K268 PolarHBondContact O-NZ 3.06Å
244L91.1Very high79.8Confident23 Ų2374.6 Ų74.612%0.1243%0.429CS..  trans-47.3139.3-175.2-177.371.6000113.5V246 V263 C264 K268 D288 Q366 I370L244-V246 HydrophobicContact CD2-CG2 4.01Å; L244-V246 HydrophobicContact CG-CG2 4.01Å; L244-V263 HydrophobicContact CD2-CG1 3.79Å; L244-C264 HydrophobicContact CB-CB 4.41Å; L244-C264 HydrophobicContact CG-CB 4.48Å; L244-C264 WeakPolarHBondContact O-CA 3.21Å; L244-C264 WeakPolarHBondContact O-CB 3.33Å; L244-K268 VanDerWaalsContact O-CD 3.25Å; L244-K268 WeakPolarHBondContact O-CD 3.49Å; L244-D288 HydrophobicContact CD1-CB 3.76Å; L244-Q366 HydrophobicContact CD1-CB 3.76Å; L244-Q366 HydrophobicContact CD1-CG 3.92Å; L244-I370 HydrophobicContact CD1-CD1 4.42Å; L244-I370 HydrophobicContact CD2-CD1 4.4Å; L244-I370 HydrophobicContact CD2-CG1 3.86Å
245S95.1Very high80.3Confident11 Ų1172.3 Ų72.38%0.07741%0.412CS..  trans-126.5134.9171.761.60000112K268 D288 A289S245-K268 CarbonylContact C-O 3.54Å; S245-K268 WeakPolarHBondContact CA-O 3.2Å; S245-D288 WeakPolarHBondContact CB-OD2 3.32Å; S245-D288 PolarHBondContact N-OD2 2.77Å; S245-D288 WeakPolarHBondContact O-CA 3.47Å; S245-D288 VanDerWaalsContact O-CB 3.27Å; S245-D288 WeakPolarHBondContact O-CB 3.26Å; S245-D288 PolarHBondContact O-N 3.26Å; S245-D288 PolarHBondContact OG-N 2.76Å; S245-D288 VanDerWaalsContact OG-N 3.1Å; S245-D288 PolarHBondContact OG-OD2 3.1Å; S245-A289 PolarHBondContact O-N 3.37Å
246V97.5Very high81.4Confident0 Ų064.4 Ų64.40%038%0.383CS..EExtended strand (participates in β ladder)trans-128.5129.4-173.1-1740000110L244 L248 L260 K268 L269 M270 A289 V291 I370L244-V246 HydrophobicContact CD2-CG2 4.01Å; L244-V246 HydrophobicContact CG-CG2 4.01Å; V246-L248 HydrophobicContact CG1-CD2 4.42Å; V246-L260 HydrophobicContact CG1-CD1 3.96Å; V246-K268 PolarHBondContact N-O 2.84Å; V246-L269 HydrophobicContact CB-CD1 4.25Å; V246-M270 PolarHBondContact O-N 2.79Å; V246-A289 WeakPolarHBondContact CA-O 3.14Å; V246-V291 HydrophobicContact CG1-CB 4.26Å; V246-V291 HydrophobicContact CG1-CG2 3.79Å; V246-I370 HydrophobicContact CG2-CD1 4.32Å
247V98.3Very high82.9Confident0 Ų062.7 Ų62.70%037%0.368CS..EExtended strand (participates in β ladder)trans-100.4145171.1690000110.4L174 M270 A272 K278 V282 A287 A289 Y290 V291L174-V247 HydrophobicContact CD2-CB 4.41Å; L174-V247 HydrophobicContact CD2-CG2 4.07Å; V247-M270 CarbonylContact C-O 3.51Å; V247-M270 WeakPolarHBondContact CA-O 3.33Å; V247-M270 HydrophobicContact CB-CB 4.48Å; V247-M270 HydrophobicContact CG2-CB 4.4Å; V247-A272 HydrophobicContact CG2-CB 3.98Å; V247-K278 HydrophobicContact CG1-CB 4.15Å; V247-K278 HydrophobicContact CG1-CG 4.28Å; V247-K278 HydrophobicContact CG2-CD 4.2Å; V247-K278 HydrophobicContact CG2-CG 3.92Å; V247-V282 HydrophobicContact CG1-CG2 4.46Å; V247-A287 HydrophobicContact CB-CB 3.97Å; V247-A287 HydrophobicContact CG1-CB 3.87Å; V247-A289 PolarHBondContact N-O 3.41Å; V247-Y290 HydrophobicContact CG1-CD2 4.41Å; V247-Y290 HydrophobicContact CG1-CG 4.34Å; V247-Y290 WeakPolarHBondContact O-CA 3.47Å; V247-Y290 WeakPolarHBondContact O-CD2 3.4Å; V247-V291 PolarHBondContact O-N 2.9Å
248L97.4Very high84.6Confident0 Ų065.2 Ų65.20%036%0.364CS..EExtended strand (participates in β ladder)trans-152.3178.2176.354.3143.6000111.5V246 E252 K257 L260 L269 M270 Y271 A272V246-L248 HydrophobicContact CG1-CD2 4.42Å; L248-E252 HydrophobicContact CD1-CB 3.55Å; L248-E252 HydrophobicContact CD1-CG 3.87Å; L248-K257 HydrophobicContact CD1-CG 3.75Å; L248-L260 HydrophobicContact CD2-CD1 4.48Å; L248-L269 HydrophobicContact CD2-CD1 3.26Å; L248-L269 HydrophobicContact CD2-CD2 4.38Å; L248-L269 HydrophobicContact CD2-CG 3.71Å; L248-M270 PolarHBondContact N-O 2.93Å; L248-Y271 HydrophobicContact CD1-CD1 4.08Å; L248-Y271 HydrophobicContact CD1-CE1 3.53Å; L248-Y271 HydrophobicContact CD2-CE1 4.33Å; L248-Y271 HydrophobicContact CG-CD1 3.89Å; L248-Y271 HydrophobicContact CG-CE1 3.76Å; L248-Y271 WeakPolarHBondContact O-CA 3.3Å; L248-A272 PolarHBondContact O-N 2.91Å; L248-A272 VanDerWaalsContact O-N 3.17Å
249S94.8Very high86.5Confident26 Ų2656.4 Ų56.418%0.18232%0.324CS..  trans-78.8143.3169.1-177.80000110.7S251 E252S249-S251 PolarHBondContact O-N 3.29Å; S249-S251 VanDerWaalsContact O-N 3.13Å; S249-S251 PolarHBondContact OG-N 3.43Å; S249-S251 PolarHBondContact OG-OG 2.99Å; S249-E252 VanDerWaalsContact O-CB 3.26Å; S249-E252 WeakPolarHBondContact O-CB 3.48Å; S249-E252 PolarHBondContact O-N 2.81Å
250S92.6Very high88.5Confident88 Ų8850 Ų5062%0.61530%0.3SS*.THydrogen-bonded Turntrans-60.1-22.3173.457.60000112.8E252 K257S250-E252 VanDerWaalsContact C-N 3.33Å; S250-K257 PolarHBondContact O-NZ 3.48Å
251S92Very high90.9Very high102 Ų10246.7 Ų46.771%0.71328%0.275SS*.THydrogen-bonded Turntrans-81.7-1.9176.661.80000115.1S249S249-S251 PolarHBondContact O-N 3.29Å; S249-S251 VanDerWaalsContact O-N 3.13Å; S249-S251 PolarHBondContact OG-N 3.43Å; S249-S251 PolarHBondContact OG-OG 2.99Å
252E95.6Very high92.8Very high8 Ų842 Ų424%0.03726%0.264CS..SBendtrans-62.3152.7-179.4-172.253.7-93.200112.4L248 S249 S250 V256 K257 L292 S293L248-E252 HydrophobicContact CD1-CB 3.55Å; L248-E252 HydrophobicContact CD1-CG 3.87Å; S249-E252 VanDerWaalsContact O-CB 3.26Å; S249-E252 WeakPolarHBondContact O-CB 3.48Å; S249-E252 PolarHBondContact O-N 2.81Å; S250-E252 VanDerWaalsContact C-N 3.33Å; E252-V256 HydrophobicContact CG-CB 3.93Å; E252-V256 HydrophobicContact CG-CG1 3.74Å; E252-K257 WeakPolarHBondContact O-CE 3.37Å; E252-K257 PolarHBondContact O-NZ 2.84Å; E252-L292 WeakPolarHBondContact OE2-CA 3.39Å; E252-S293 WeakPolarHBondContact OE1-CB 3.36Å; E252-S293 PolarHBondContact OE1-OG 2.86Å; E252-S293 PolarHBondContact OE2-N 3.32Å
253K95.1Very high94.3Very high84 Ų8442.8 Ų42.837%0.36526%0.259SS..  trans-55.4138.2-180-68.7174.9-176.6148.10111.5S255 V256 K257 E294 L378K253-S255 VanDerWaalsContact C-N 3.27Å; K253-S255 PolarHBondContact O-N 3.4Å; K253-V256 HydrophobicContact CB-CB 4.37Å; K253-V256 HydrophobicContact CB-CG2 3.97Å; K253-V256 WeakPolarHBondContact O-CB 3.36Å; K253-V256 PolarHBondContact O-N 2.9Å; K253-V256 VanDerWaalsContact O-N 3.07Å; K253-K257 PolarHBondContact O-N 2.91Å; K253-K257 VanDerWaalsContact O-N 3.08Å; K253-E294 WeakPolarHBondContact CE-OE1 3.2Å; K253-E294 IonicContact NZ-OE1 3.6Å; K253-E294 PolarHBondContact NZ-OE1 3.07Å; K253-L378 HydrophobicContact CD-CD2 4.16Å
254Q95.8Very high95Very high114 Ų11441.2 Ų41.253%0.53324%0.242SC..Hα-helixtrans-59.2-38.5179.1-174.358.627.600112.3V256 K257 E258Q254-V256 VanDerWaalsContact C-N 3.29Å; Q254-V256 PolarHBondContact O-N 2.82Å; Q254-K257 PolarHBondContact O-N 2.91Å; Q254-E258 VanDerWaalsContact CG-OE1 3.31Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.48Å; Q254-E258 PolarHBondContact NE2-OE1 3.47Å; Q254-E258 WeakPolarHBondContact O-CG 3.37Å; Q254-E258 PolarHBondContact O-N 3.38Å
255S95.9Very high95.1Very high46 Ų4641.3 Ų41.332%0.32225%0.248SC..Hα-helixtrans-61.2-35.6176.1560000113.3K253 A259K253-S255 VanDerWaalsContact C-N 3.27Å; K253-S255 PolarHBondContact O-N 3.4Å; S255-A259 VanDerWaalsContact O-CB 3.31Å; S255-A259 WeakPolarHBondContact O-CB 3.48Å; S255-A259 PolarHBondContact O-N 3.48Å; S255-A259 VanDerWaalsContact O-N 3.07Å
256V96.5Very high94.9Very high0 Ų045.2 Ų45.20%027%0.273CS..Hα-helixtrans-71.7-45.2176.8175.20000110.2E252 K253 Q254 E258 A259 L260 V291 L374 L378E252-V256 HydrophobicContact CG-CB 3.93Å; E252-V256 HydrophobicContact CG-CG1 3.74Å; K253-V256 HydrophobicContact CB-CB 4.37Å; K253-V256 HydrophobicContact CB-CG2 3.97Å; K253-V256 WeakPolarHBondContact O-CB 3.36Å; K253-V256 PolarHBondContact O-N 2.9Å; K253-V256 VanDerWaalsContact O-N 3.07Å; Q254-V256 VanDerWaalsContact C-N 3.29Å; Q254-V256 PolarHBondContact O-N 2.82Å; V256-E258 VanDerWaalsContact C-N 3.34Å; V256-E258 PolarHBondContact O-N 3Å; V256-A259 PolarHBondContact O-N 2.77Å; V256-L260 HydrophobicContact CG1-CD1 3.8Å; V256-L260 HydrophobicContact CG1-CG 4.42Å; V256-L260 VanDerWaalsContact O-CG 3.3Å; V256-L260 WeakPolarHBondContact O-CG 3.37Å; V256-L260 PolarHBondContact O-N 3.2Å; V256-V291 HydrophobicContact CG1-CG1 4.24Å; V256-L374 HydrophobicContact CB-CD2 4.49Å; V256-L374 HydrophobicContact CG1-CD2 3.99Å; V256-L378 HydrophobicContact CG2-CD1 3.96Å; V256-L378 HydrophobicContact CG2-CD2 3.58Å; V256-L378 HydrophobicContact CG2-CG 3.93Å
257K97.1Very high94.6Very high30 Ų3052.6 Ų52.613%0.1331%0.312CS..Hα-helixtrans-57-47.6175.6-69.8171.7178.3158.10111.6L248 S250 E252 K253 Q254 L260 T261 L269L248-K257 HydrophobicContact CD1-CG 3.75Å; S250-K257 PolarHBondContact O-NZ 3.48Å; E252-K257 WeakPolarHBondContact O-CE 3.37Å; E252-K257 PolarHBondContact O-NZ 2.84Å; K253-K257 PolarHBondContact O-N 2.91Å; K253-K257 VanDerWaalsContact O-N 3.08Å; Q254-K257 PolarHBondContact O-N 2.91Å; K257-L260 PolarHBondContact O-N 3.28Å; K257-T261 VanDerWaalsContact O-CB 3.3Å; K257-T261 WeakPolarHBondContact O-CB 3.45Å; K257-T261 PolarHBondContact O-N 3.4Å; K257-T261 PolarHBondContact O-OG1 2.7Å; K257-L269 HydrophobicContact CB-CD2 4.23Å
258E96.6Very high94.4Very high114 Ų11456 Ų5653%0.53333%0.327SS..Hα-helixtrans-63.4-44.5178.8-73.7169.1-171.900112.2Q254 V256 L260 T261 S262Q254-E258 VanDerWaalsContact CG-OE1 3.31Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.48Å; Q254-E258 PolarHBondContact NE2-OE1 3.47Å; Q254-E258 WeakPolarHBondContact O-CG 3.37Å; Q254-E258 PolarHBondContact O-N 3.38Å; V256-E258 VanDerWaalsContact C-N 3.34Å; V256-E258 PolarHBondContact O-N 3Å; E258-L260 PolarHBondContact O-N 3.49Å; E258-T261 PolarHBondContact O-N 3.29Å; E258-S262 PolarHBondContact O-N 2.57Å; E258-S262 VanDerWaalsContact O-N 3.11Å
259A96.1Very high94.3Very high6 Ų656.7 Ų56.75%0.0533%0.331CS..Hα-helixtrans-60.2-46.8177.400000111.9S255 V256 S262 L374 K377S255-A259 VanDerWaalsContact O-CB 3.31Å; S255-A259 WeakPolarHBondContact O-CB 3.48Å; S255-A259 PolarHBondContact O-N 3.48Å; S255-A259 VanDerWaalsContact O-N 3.07Å; V256-A259 PolarHBondContact O-N 2.77Å; A259-S262 PolarHBondContact O-N 3.28Å; A259-S262 PolarHBondContact O-OG 3.38Å; A259-L374 HydrophobicContact CB-CD2 3.96Å; A259-K377 HydrophobicContact CB-CG 4.09Å
260L96.4Very high94.4Very high2 Ų257.5 Ų57.51%0.0133%0.332CS..Hα-helixtrans-69.4-41.5179.3-64170.9000112V246 L248 V256 K257 E258 S262 V263 C264 L269 V291 I370 L374V246-L260 HydrophobicContact CG1-CD1 3.96Å; L248-L260 HydrophobicContact CD2-CD1 4.48Å; V256-L260 HydrophobicContact CG1-CD1 3.8Å; V256-L260 HydrophobicContact CG1-CG 4.42Å; V256-L260 VanDerWaalsContact O-CG 3.3Å; V256-L260 WeakPolarHBondContact O-CG 3.37Å; V256-L260 PolarHBondContact O-N 3.2Å; K257-L260 PolarHBondContact O-N 3.28Å; E258-L260 PolarHBondContact O-N 3.49Å; L260-S262 PolarHBondContact O-N 2.8Å; L260-V263 PolarHBondContact O-N 2.79Å; L260-C264 PolarHBondContact O-N 2.9Å; L260-C264 PolarHBondContact O-SG 3.31Å; L260-L269 HydrophobicContact CB-CD1 3.75Å; L260-L269 HydrophobicContact CD1-CD1 4.36Å; L260-V291 HydrophobicContact CD1-CB 4.02Å; L260-V291 HydrophobicContact CD1-CG1 4.17Å; L260-V291 HydrophobicContact CD1-CG2 4.13Å; L260-V291 HydrophobicContact CD2-CG2 4.25Å; L260-I370 HydrophobicContact CD2-CG1 4.47Å; L260-I370 HydrophobicContact CD2-CG2 3.94Å; L260-L374 HydrophobicContact CD2-CD1 4.43Å; L260-L374 HydrophobicContact CD2-CD2 4.17Å; L260-L374 HydrophobicContact CD2-CG 4.29Å; L260-L374 HydrophobicContact CG-CD2 4.2Å
261T95.9Very high94.6Very high46 Ų4657.4 Ų57.428%0.28232%0.319SS..Hα-helixtrans-54.4-36.8175-57.50000111.3K257 E258 V263 G265 P266 L269K257-T261 VanDerWaalsContact O-CB 3.3Å; K257-T261 WeakPolarHBondContact O-CB 3.45Å; K257-T261 PolarHBondContact O-N 3.4Å; K257-T261 PolarHBondContact O-OG1 2.7Å; E258-T261 PolarHBondContact O-N 3.29Å; T261-V263 PolarHBondContact O-N 2.92Å; T261-G265 VanDerWaalsContact O-CA 3.23Å; T261-G265 WeakPolarHBondContact O-CA 3.4Å; T261-G265 PolarHBondContact O-N 2.96Å; T261-P266 HydrophobicContact CG2-CB 4.26Å; T261-L269 VanDerWaalsContact OG1-CD2 3.3Å; T261-L269 WeakPolarHBondContact OG1-CD2 3.25Å
262S92.3Very high94.9Very high96 Ų9652.8 Ų52.867%0.67129%0.287SS*.Hα-helixtrans-63.8-20.6178.978.70000114E258 A259 L260E258-S262 PolarHBondContact O-N 2.57Å; E258-S262 VanDerWaalsContact O-N 3.11Å; A259-S262 PolarHBondContact O-N 3.28Å; A259-S262 PolarHBondContact O-OG 3.38Å; L260-S262 PolarHBondContact O-N 2.8Å
263V90.9Very high94.9Very high58 Ų5854.1 Ų54.135%0.35230%0.297SS..Hα-helixtrans-105.9-42.4-178.1-178.40000112.5L244 L260 T261 S369 A373L244-V263 HydrophobicContact CD2-CG1 3.79Å; L260-V263 PolarHBondContact O-N 2.79Å; T261-V263 PolarHBondContact O-N 2.92Å; V263-S369 WeakPolarHBondContact CG1-OG 3.45Å; V263-A373 HydrophobicContact CG2-CB 3.58Å
264C92.4Very high95Very high12 Ų1250.7 Ų50.78%0.08129%0.285CS..Hα-helixtrans-92.5-19.2-178.263.50000113.9L244 L260 K268L244-C264 HydrophobicContact CB-CB 4.41Å; L244-C264 HydrophobicContact CG-CB 4.48Å; L244-C264 WeakPolarHBondContact O-CA 3.21Å; L244-C264 WeakPolarHBondContact O-CB 3.33Å; L260-C264 PolarHBondContact O-N 2.9Å; L260-C264 PolarHBondContact O-SG 3.31Å; C264-K268 HydrophobicContact CB-CB 4.04Å; C264-K268 WeakPolarHBondContact O-CB 3.41Å
265G92.5Very high95Very high24 Ų2446 Ų4625%0.24727%0.266CS..  trans77.9161.6-165.800000112.6T261 D267 K268 L269T261-G265 VanDerWaalsContact O-CA 3.23Å; T261-G265 WeakPolarHBondContact O-CA 3.4Å; T261-G265 PolarHBondContact O-N 2.96Å; G265-D267 PolarHBondContact O-N 3.38Å; G265-K268 PolarHBondContact O-N 2.8Å; G265-L269 PolarHBondContact O-N 2.8Å
266P90.6Very high95.2Very high93 Ų9343.8 Ų43.860%0.60425%0.25SS*.G310 helixtrans-65.5-36.8-174.225.5-34000113.1T261 K268 L269T261-P266 HydrophobicContact CG2-CB 4.26Å; P266-K268 PolarHBondContact O-N 2.75Å; P266-L269 PolarHBondContact O-N 2.73Å
267D90.9Very high95.3Very high155 Ų15543.9 Ų43.983%0.82925%0.251SS*.G310 helixtrans-70.3-16-176.6-58.3-33.7000113.4G265G265-D267 PolarHBondContact O-N 3.38Å
268K93.9Very high95.3Very high73 Ų7342.9 Ų42.932%0.31725%0.247SC..G310 helixtrans-109.44.6-179.7-59.5-171.2175.5-179.70113.1G243 L244 S245 V246 C264 G265 P266G243-K268 WeakPolarHBondContact O-CD 3.17Å; G243-K268 PolarHBondContact O-NZ 3.06Å; L244-K268 VanDerWaalsContact O-CD 3.25Å; L244-K268 WeakPolarHBondContact O-CD 3.49Å; S245-K268 CarbonylContact C-O 3.54Å; S245-K268 WeakPolarHBondContact CA-O 3.2Å; V246-K268 PolarHBondContact N-O 2.84Å; C264-K268 HydrophobicContact CB-CB 4.04Å; C264-K268 WeakPolarHBondContact O-CB 3.41Å; G265-K268 PolarHBondContact O-N 2.8Å; P266-K268 PolarHBondContact O-N 2.75Å
269L96.4Very high95.4Very high14 Ų1437.6 Ų37.67%0.07322%0.222CC..EExtended strand (participates in β ladder)trans-93.9103.5169.5-167.173.7000108.8V246 L248 K257 L260 T261 G265 P266 Y271V246-L269 HydrophobicContact CB-CD1 4.25Å; L248-L269 HydrophobicContact CD2-CD1 3.26Å; L248-L269 HydrophobicContact CD2-CD2 4.38Å; L248-L269 HydrophobicContact CD2-CG 3.71Å; K257-L269 HydrophobicContact CB-CD2 4.23Å; L260-L269 HydrophobicContact CB-CD1 3.75Å; L260-L269 HydrophobicContact CD1-CD1 4.36Å; T261-L269 VanDerWaalsContact OG1-CD2 3.3Å; T261-L269 WeakPolarHBondContact OG1-CD2 3.25Å; G265-L269 PolarHBondContact O-N 2.8Å; P266-L269 PolarHBondContact O-N 2.73Å; L269-Y271 WeakPolarHBondContact CD2-OH 3.36Å
270M97Very high95.5Very high43 Ų4337.3 Ų37.321%0.21222%0.22CC..EExtended strand (participates in β ladder)trans-109.3158.4-170.2-58.8173.4-68.200111.8L174 V246 V247 L248 L286 A287L174-M270 HydrophobicContact CD2-CB 3.83Å; L174-M270 HydrophobicContact CD2-CE 3.83Å; L174-M270 HydrophobicContact CD2-CG 4.27Å; L174-M270 HydrophobicContact CD2-SD 3.53Å; L174-M270 VanDerWaalsContact CD2-SD 3.53Å; L174-M270 HydrophobicContact CG-SD 4.22Å; V246-M270 PolarHBondContact O-N 2.79Å; V247-M270 CarbonylContact C-O 3.51Å; V247-M270 WeakPolarHBondContact CA-O 3.33Å; V247-M270 HydrophobicContact CB-CB 4.48Å; V247-M270 HydrophobicContact CG2-CB 4.4Å; L248-M270 PolarHBondContact N-O 2.93Å; M270-L286 WeakPolarHBondContact CE-O 3.43Å; M270-A287 HydrophobicContact CE-CB 3.56Å
271Y97.4Very high95.6Very high86 Ų8637.2 Ų37.234%0.33722%0.219SC..EExtended strand (participates in β ladder)trans-128.4134.3-178-56.9-80.8000110.8P176 L248 L269P176-Y271 WeakPolarHBondContact CA-O 3.35Å; L248-Y271 HydrophobicContact CD1-CD1 4.08Å; L248-Y271 HydrophobicContact CD1-CE1 3.53Å; L248-Y271 HydrophobicContact CD2-CE1 4.33Å; L248-Y271 HydrophobicContact CG-CD1 3.89Å; L248-Y271 HydrophobicContact CG-CE1 3.76Å; L248-Y271 WeakPolarHBondContact O-CA 3.3Å; L269-Y271 WeakPolarHBondContact CD2-OH 3.36Å
272A97.6Very high95.7Very high5 Ų535 Ų354%0.04121%0.206CC..  trans-148.3152.6174.900000113L174 P176 V247 L248 Y277 K278L174-A272 HydrophobicContact CD1-CB 4.27Å; P176-A272 CarbonylContact O-C 3.57Å; P176-A272 WeakPolarHBondContact O-CA 3.46Å; V247-A272 HydrophobicContact CG2-CB 3.98Å; L248-A272 PolarHBondContact O-N 2.91Å; L248-A272 VanDerWaalsContact O-N 3.17Å; A272-Y277 HydrophobicContact CB-CD1 4.11Å; A272-Y277 HydrophobicContact CB-CE1 4.14Å; A272-K278 HydrophobicContact CB-CG 3.95Å; A272-K278 WeakPolarHBondContact O-CD 3.39Å; A272-K278 PolarHBondContact O-NZ 3.21Å
273S96.3Very high95.9Very high36 Ų3630.5 Ų30.525%0.25217%0.174SC..SBendtrans-81.8163.9171.1-57.80000111.3P176P176-S273 PolarHBondContact O-N 3.16Å; P176-S273 PolarHBondContact O-OG 3.49Å
274G96.3Very high96.1Very high11 Ų1130 Ų3011%0.11317%0.168CC..  trans77124.8179.700000114.4A157 K278A157-G274 VanDerWaalsContact CB-CA 3.46Å; G274-K278 VanDerWaalsContact C-NZ 3.34Å; G274-K278 WeakPolarHBondContact O-CE 3.23Å; G274-K278 WeakPolarHBondContact O-CG 3.41Å; G274-K278 PolarHBondContact O-N 3.34Å; G274-K278 VanDerWaalsContact O-N 3.17Å; G274-K278 PolarHBondContact O-NZ 3.15Å
275A97Very high96.2Very high15 Ų1529.8 Ų29.812%0.12417%0.167CC..Hα-helixtrans-72.5-48.9-177.600000110D156 Y277 K278 V279 T297 D301D156-A275 PolarHBondContact OD1-N 3.41Å; D156-A275 PolarHBondContact OD2-N 2.82Å; A275-Y277 VanDerWaalsContact C-N 3.33Å; A275-Y277 PolarHBondContact O-N 3.41Å; A275-K278 PolarHBondContact O-N 3.41Å; A275-V279 WeakPolarHBondContact O-CG2 3.35Å; A275-V279 PolarHBondContact O-N 2.93Å; A275-T297 HydrophobicContact CB-CG2 3.75Å; A275-D301 HydrophobicContact CB-CB 3.89Å
276G98.2Very high96.3Very high0 Ų030.5 Ų30.50%017%0.165CC..Hα-helixtrans-60.2-41.7172.700000112D156 L183 K278 V279 L280D156-G276 WeakPolarHBondContact OD2-CA 3.43Å; D156-G276 PolarHBondContact OD2-N 3.39Å; L183-G276 VanDerWaalsContact CD1-C 3.5Å; G276-K278 PolarHBondContact O-N 2.73Å; G276-V279 PolarHBondContact O-N 3.37Å; G276-V279 VanDerWaalsContact O-N 3.15Å; G276-L280 PolarHBondContact O-N 2.85Å
277Y98.4Very high96.5Very high3 Ų326.1 Ų26.11%0.01214%0.137CC..Hα-helixtrans-61.9-41.5179-177.1-102.1000113.1D156 S175 H180 C181 L183 A272 A275 V279 L280 C281D156-Y277 PolarHBondContact OD2-N 3.2Å; S175-Y277 WeakPolarHBondContact CB-OH 3.01Å; S175-Y277 PolarHBondContact N-OH 3.49Å; S175-Y277 VanDerWaalsContact O-CE1 3.23Å; S175-Y277 WeakPolarHBondContact O-CE1 3.18Å; H180-Y277 WeakPolarHBondContact O-CD2 3.28Å; H180-Y277 WeakPolarHBondContact O-CE2 3.14Å; C181-Y277 HydrophobicContact CB-CD1 4.2Å; C181-Y277 HydrophobicContact CB-CG 4.14Å; L183-Y277 VanDerWaalsContact CD1-N 3.32Å; A272-Y277 HydrophobicContact CB-CD1 4.11Å; A272-Y277 HydrophobicContact CB-CE1 4.14Å; A275-Y277 VanDerWaalsContact C-N 3.33Å; A275-Y277 PolarHBondContact O-N 3.41Å; Y277-V279 VanDerWaalsContact C-N 3.31Å; Y277-V279 PolarHBondContact O-N 2.98Å; Y277-L280 HydrophobicContact CD2-CD2 4.33Å; Y277-L280 CarbonylContact O-C 3.58Å; Y277-L280 WeakPolarHBondContact O-CA 3.36Å; Y277-L280 WeakPolarHBondContact O-CB 3.45Å; Y277-L280 PolarHBondContact O-N 3.25Å; Y277-L280 VanDerWaalsContact O-N 3.12Å; Y277-C281 WeakPolarHBondContact CE1-SG 3.31Å; Y277-C281 PolarHBondContact O-N 2.79Å; Y277-C281 PolarHBondContact O-SG 3.4Å
278K98.6Very high96.7Very high9 Ų919.4 Ų19.44%0.03910%0.101CC..Hα-helixtrans-61.8-38.5174.4-79.1-176.3-71.3-65.90112.6V247 A272 G274 A275 G276 C281 V282 Y290V247-K278 HydrophobicContact CG1-CB 4.15Å; V247-K278 HydrophobicContact CG1-CG 4.28Å; V247-K278 HydrophobicContact CG2-CD 4.2Å; V247-K278 HydrophobicContact CG2-CG 3.92Å; A272-K278 HydrophobicContact CB-CG 3.95Å; A272-K278 WeakPolarHBondContact O-CD 3.39Å; A272-K278 PolarHBondContact O-NZ 3.21Å; G274-K278 VanDerWaalsContact C-NZ 3.34Å; G274-K278 WeakPolarHBondContact O-CE 3.23Å; G274-K278 WeakPolarHBondContact O-CG 3.41Å; G274-K278 PolarHBondContact O-N 3.34Å; G274-K278 VanDerWaalsContact O-N 3.17Å; G274-K278 PolarHBondContact O-NZ 3.15Å; A275-K278 PolarHBondContact O-N 3.41Å; G276-K278 PolarHBondContact O-N 2.73Å; K278-C281 WeakPolarHBondContact O-CB 3.3Å; K278-C281 PolarHBondContact O-N 3.36Å; K278-V282 PolarHBondContact O-N 3.49Å; K278-Y290 HydrophobicContact CB-CD1 3.67Å; K278-Y290 HydrophobicContact CB-CD2 3.99Å; K278-Y290 HydrophobicContact CB-CE1 3.86Å; K278-Y290 HydrophobicContact CB-CE2 4.23Å; K278-Y290 HydrophobicContact CB-CG 3.75Å; K278-Y290 HydrophobicContact CD-CD2 3.81Å; K278-Y290 HydrophobicContact CD-CE1 4.48Å; K278-Y290 HydrophobicContact CD-CE2 3.56Å; K278-Y290 HydrophobicContact CD-CG 4.45Å; K278-Y290 VanDerWaalsContact CE-CE2 3.42Å; K278-Y290 VanDerWaalsContact CE-OH 3.3Å; K278-Y290 WeakPolarHBondContact CE-OH 3.49Å; K278-Y290 HydrophobicContact CG-CD2 4.47Å
279V98.6Very high96.8Very high3 Ų315.9 Ų15.92%0.0189%0.086CC..Hα-helixtrans-70.1-36.3174.2-166.10000111A275 G276 Y277 C281 V282 I283 Y290 P305 L309 A360A275-V279 WeakPolarHBondContact O-CG2 3.35Å; A275-V279 PolarHBondContact O-N 2.93Å; G276-V279 PolarHBondContact O-N 3.37Å; G276-V279 VanDerWaalsContact O-N 3.15Å; Y277-V279 VanDerWaalsContact C-N 3.31Å; Y277-V279 PolarHBondContact O-N 2.98Å; V279-C281 VanDerWaalsContact C-N 3.33Å; V279-C281 PolarHBondContact O-N 2.9Å; V279-V282 WeakPolarHBondContact O-CA 3.19Å; V279-V282 WeakPolarHBondContact O-CB 3.15Å; V279-V282 PolarHBondContact O-N 2.94Å; V279-V282 VanDerWaalsContact O-N 3.08Å; V279-I283 HydrophobicContact CG1-CD1 4.28Å; V279-I283 WeakPolarHBondContact O-CG1 3.03Å; V279-I283 PolarHBondContact O-N 2.82Å; V279-Y290 HydrophobicContact CG2-CD1 3.7Å; V279-Y290 HydrophobicContact CG2-CE1 4.12Å; V279-P305 HydrophobicContact CB-CB 3.68Å; V279-P305 HydrophobicContact CB-CG 4Å; V279-P305 HydrophobicContact CG1-CB 3.53Å; V279-P305 HydrophobicContact CG1-CG 4.13Å; V279-P305 HydrophobicContact CG2-CB 4.41Å; V279-P305 HydrophobicContact CG2-CG 4.22Å; V279-L309 HydrophobicContact CG1-CD1 3.42Å; V279-L309 VanDerWaalsContact CG1-CD1 3.42Å; V279-L309 HydrophobicContact CG1-CG 4.16Å; V279-A360 HydrophobicContact CG1-CB 3.87Å; V279-A360 HydrophobicContact CG2-CB 4.19Å
280L98.2Very high96.9Very high0 Ų015.4 Ų15.40%08%0.083CC..Hα-helixtrans-60.1-41.1173.1-179.762.9000111.7L183 I201 Y220 G276 Y277 V282 I283 Q284L183-L280 HydrophobicContact CD1-CB 4.38Å; L183-L280 HydrophobicContact CD1-CD2 4.12Å; L183-L280 HydrophobicContact CD2-CD2 4.09Å; I201-L280 HydrophobicContact CD1-CD1 4.17Å; I201-L280 HydrophobicContact CG2-CD2 4.3Å; Y220-L280 HydrophobicContact CD1-CD1 4.08Å; Y220-L280 HydrophobicContact CD2-CD1 3.7Å; Y220-L280 HydrophobicContact CD2-CD2 4.18Å; Y220-L280 HydrophobicContact CE1-CD1 4.2Å; Y220-L280 HydrophobicContact CE2-CD1 3.86Å; Y220-L280 HydrophobicContact CE2-CD2 3.75Å; Y220-L280 HydrophobicContact CE2-CG 4.41Å; Y220-L280 HydrophobicContact CG-CD1 3.81Å; G276-L280 PolarHBondContact O-N 2.85Å; Y277-L280 HydrophobicContact CD2-CD2 4.33Å; Y277-L280 CarbonylContact O-C 3.58Å; Y277-L280 WeakPolarHBondContact O-CA 3.36Å; Y277-L280 WeakPolarHBondContact O-CB 3.45Å; Y277-L280 PolarHBondContact O-N 3.25Å; Y277-L280 VanDerWaalsContact O-N 3.12Å; L280-V282 PolarHBondContact O-N 3.5Å; L280-I283 HydrophobicContact CD1-CB 4.48Å; L280-I283 HydrophobicContact CD1-CG2 4.45Å; L280-I283 WeakPolarHBondContact O-CB 3.34Å; L280-I283 PolarHBondContact O-N 3Å; L280-I283 VanDerWaalsContact O-N 3.13Å; L280-Q284 HydrophobicContact CD1-CG 4.05Å; L280-Q284 HydrophobicContact CG-CG 4.32Å; L280-Q284 WeakPolarHBondContact O-CB 3.28Å; L280-Q284 WeakPolarHBondContact O-CG 3.31Å; L280-Q284 PolarHBondContact O-N 3.29Å
281C97.6Very high97Very high0 Ų013.4 Ų13.40%07%0.073CC..Hα-helixtrans-57-38.5173.1-64.30000112.1Y277 K278 V279 G285 L286 A287Y277-C281 WeakPolarHBondContact CE1-SG 3.31Å; Y277-C281 PolarHBondContact O-N 2.79Å; Y277-C281 PolarHBondContact O-SG 3.4Å; K278-C281 WeakPolarHBondContact O-CB 3.3Å; K278-C281 PolarHBondContact O-N 3.36Å; V279-C281 VanDerWaalsContact C-N 3.33Å; V279-C281 PolarHBondContact O-N 2.9Å; C281-G285 PolarHBondContact O-N 3.41Å; C281-G285 VanDerWaalsContact O-N 3.16Å; C281-L286 HydrophobicContact CB-CB 4.17Å; C281-L286 WeakPolarHBondContact O-CB 3.42Å; C281-L286 PolarHBondContact O-N 3.28Å; C281-A287 PolarHBondContact O-N 3.47Å
282V97.7Very high97Very high0 Ų09.6 Ų9.60%06%0.059CC..Hα-helixtrans-66.9-49.6174.8-1800000110.3V247 K278 V279 L280 Q284 G285 A287 A289 L309 R362V247-V282 HydrophobicContact CG1-CG2 4.46Å; K278-V282 PolarHBondContact O-N 3.49Å; V279-V282 WeakPolarHBondContact O-CA 3.19Å; V279-V282 WeakPolarHBondContact O-CB 3.15Å; V279-V282 PolarHBondContact O-N 2.94Å; V279-V282 VanDerWaalsContact O-N 3.08Å; L280-V282 PolarHBondContact O-N 3.5Å; V282-Q284 PolarHBondContact O-N 3.21Å; V282-G285 PolarHBondContact O-N 3.01Å; V282-A287 WeakPolarHBondContact CA-O 3.31Å; V282-A287 HydrophobicContact CG2-CB 4.38Å; V282-A289 VanDerWaalsContact CG2-C 3.46Å; V282-L309 HydrophobicContact CG1-CD2 3.93Å; V282-R362 HydrophobicContact CG1-CG 3.95Å; V282-R362 WeakPolarHBondContact O-CD 3.4Å
283I97.4Very high96.9Very high0 Ų010 Ų100%06%0.061CC..Hα-helixtrans-52.6-42.2176.9-70162.2000111.6I201 E233 V279 L280 G285 P305 L308 L309 L312 R362I201-I283 HydrophobicContact CD1-CD1 3.87Å; E233-I283 HydrophobicContact CB-CG2 4.22Å; E233-I283 HydrophobicContact CG-CG2 4.06Å; V279-I283 HydrophobicContact CG1-CD1 4.28Å; V279-I283 WeakPolarHBondContact O-CG1 3.03Å; V279-I283 PolarHBondContact O-N 2.82Å; L280-I283 HydrophobicContact CD1-CB 4.48Å; L280-I283 HydrophobicContact CD1-CG2 4.45Å; L280-I283 WeakPolarHBondContact O-CB 3.34Å; L280-I283 PolarHBondContact O-N 3Å; L280-I283 VanDerWaalsContact O-N 3.13Å; I283-G285 VanDerWaalsContact C-N 3.3Å; I283-G285 PolarHBondContact O-N 3.34Å; I283-P305 HydrophobicContact CD1-CB 3.83Å; I283-L308 HydrophobicContact CD1-CB 3.66Å; I283-L308 HydrophobicContact CD1-CD2 4.06Å; I283-L308 HydrophobicContact CD1-CG 4.45Å; I283-L308 HydrophobicContact CG1-CB 4.18Å; I283-L308 HydrophobicContact CG2-CD2 4.19Å; I283-L309 HydrophobicContact CB-CD2 4.5Å; I283-L309 HydrophobicContact CD1-CG 4.34Å; I283-L309 HydrophobicContact CG1-CD2 3.56Å; I283-L309 HydrophobicContact CG1-CG 3.71Å; I283-L312 HydrophobicContact CB-CD1 4.41Å; I283-L312 HydrophobicContact CG2-CD1 3.88Å; I283-R362 PolarHBondContact O-NH1 2.99Å; I283-R362 PolarHBondContact O-NH2 2.93Å
284Q95.1Very high96.8Very high49 Ų4911.7 Ų11.723%0.2297%0.065CC..THydrogen-bonded Turntrans-79.4-9.9179.1-65.6-177.1-61.300113.7Y220 L280 V282 L286Y220-Q284 HydrophobicContact CE1-CG 4.35Å; Y220-Q284 PolarHBondContact OH-NE2 2.95Å; L280-Q284 HydrophobicContact CD1-CG 4.05Å; L280-Q284 HydrophobicContact CG-CG 4.32Å; L280-Q284 WeakPolarHBondContact O-CB 3.28Å; L280-Q284 WeakPolarHBondContact O-CG 3.31Å; L280-Q284 PolarHBondContact O-N 3.29Å; V282-Q284 PolarHBondContact O-N 3.21Å; Q284-L286 VanDerWaalsContact C-N 3.3Å; Q284-L286 HydrophobicContact CB-CD1 4.33Å; Q284-L286 HydrophobicContact CB-CG 4.03Å
285G94.1Very high96.5Very high6 Ų611.8 Ų11.86%0.0627%0.066CC..THydrogen-bonded Turntrans74.517.2-176.200000114.1R239 C281 V282 I283 A287R239-G285 PolarHBondContact NH2-O 3.19Å; C281-G285 PolarHBondContact O-N 3.41Å; C281-G285 VanDerWaalsContact O-N 3.16Å; V282-G285 PolarHBondContact O-N 3.01Å; I283-G285 VanDerWaalsContact C-N 3.3Å; I283-G285 PolarHBondContact O-N 3.34Å; G285-A287 VanDerWaalsContact C-N 3.27Å
286L94Very high96.2Very high39 Ų3912.4 Ų12.420%0.2047%0.069CC..SBendtrans-71.3-28170.8-59.3177.2000111.4L174 M270 C281 Q284L174-L286 HydrophobicContact CB-CB 4.4Å; L174-L286 HydrophobicContact CB-CD1 4.24Å; M270-L286 WeakPolarHBondContact CE-O 3.43Å; C281-L286 HydrophobicContact CB-CB 4.17Å; C281-L286 WeakPolarHBondContact O-CB 3.42Å; C281-L286 PolarHBondContact O-N 3.28Å; Q284-L286 VanDerWaalsContact C-N 3.3Å; Q284-L286 HydrophobicContact CB-CD1 4.33Å; Q284-L286 HydrophobicContact CB-CG 4.03Å
287A95.3Very high96.1Very high1 Ų112.7 Ų12.71%0.0087%0.071CC..SBendtrans-131.3156167.200000109.4V247 M270 C281 V282 G285V247-A287 HydrophobicContact CB-CB 3.97Å; V247-A287 HydrophobicContact CG1-CB 3.87Å; M270-A287 HydrophobicContact CE-CB 3.56Å; C281-A287 PolarHBondContact O-N 3.47Å; V282-A287 WeakPolarHBondContact CA-O 3.31Å; V282-A287 HydrophobicContact CG2-CB 4.38Å; G285-A287 VanDerWaalsContact C-N 3.27Å
288D95.3Very high96.1Very high14 Ų1413 Ų138%0.0757%0.072CC..SBendtrans-84.1-31.9175.8-66.1-61000111.8R239 L244 S245 Q366R239-D288 IonicContact NH1-OD1 3.76Å; L244-D288 HydrophobicContact CD1-CB 3.76Å; S245-D288 WeakPolarHBondContact CB-OD2 3.32Å; S245-D288 PolarHBondContact N-OD2 2.77Å; S245-D288 WeakPolarHBondContact O-CA 3.47Å; S245-D288 VanDerWaalsContact O-CB 3.27Å; S245-D288 WeakPolarHBondContact O-CB 3.26Å; S245-D288 PolarHBondContact O-N 3.26Å; S245-D288 PolarHBondContact OG-N 2.76Å; S245-D288 VanDerWaalsContact OG-N 3.1Å; S245-D288 PolarHBondContact OG-OD2 3.1Å; D288-Q366 VanDerWaalsContact CG-NE2 3.29Å; D288-Q366 PolarHBondContact O-OE1 3.07Å; D288-Q366 PolarHBondContact OD1-NE2 2.9Å
289A97.1Very high96.1Very high0 Ų013.5 Ų13.50%08%0.075CC..EExtended strand (participates in β ladder)trans-148.7157175.200000113.2S245 V246 V247 V282 A360 I370S245-A289 PolarHBondContact O-N 3.37Å; V246-A289 WeakPolarHBondContact CA-O 3.14Å; V247-A289 PolarHBondContact N-O 3.41Å; V282-A289 VanDerWaalsContact CG2-C 3.46Å; A289-A360 CarbonylContact C-O 3.57Å; A289-A360 VanDerWaalsContact CA-O 3.22Å; A289-A360 WeakPolarHBondContact CA-O 3.27Å; A289-A360 WeakPolarHBondContact CB-O 3.19Å; A289-I370 HydrophobicContact CB-CD1 3.19Å
290Y98.4Very high96.1Very high4 Ų413.8 Ų13.82%0.0168%0.075CC..EExtended strand (participates in β ladder)trans-113.7126165.7164.8-147.2000108.5V247 K278 V279 L292 L358 V359 A360V247-Y290 HydrophobicContact CG1-CD2 4.41Å; V247-Y290 HydrophobicContact CG1-CG 4.34Å; V247-Y290 WeakPolarHBondContact O-CA 3.47Å; V247-Y290 WeakPolarHBondContact O-CD2 3.4Å; K278-Y290 HydrophobicContact CB-CD1 3.67Å; K278-Y290 HydrophobicContact CB-CD2 3.99Å; K278-Y290 HydrophobicContact CB-CE1 3.86Å; K278-Y290 HydrophobicContact CB-CE2 4.23Å; K278-Y290 HydrophobicContact CB-CG 3.75Å; K278-Y290 HydrophobicContact CD-CD2 3.81Å; K278-Y290 HydrophobicContact CD-CE1 4.48Å; K278-Y290 HydrophobicContact CD-CE2 3.56Å; K278-Y290 HydrophobicContact CD-CG 4.45Å; K278-Y290 VanDerWaalsContact CE-CE2 3.42Å; K278-Y290 VanDerWaalsContact CE-OH 3.3Å; K278-Y290 WeakPolarHBondContact CE-OH 3.49Å; K278-Y290 HydrophobicContact CG-CD2 4.47Å; V279-Y290 HydrophobicContact CG2-CD1 3.7Å; V279-Y290 HydrophobicContact CG2-CE1 4.12Å; Y290-L292 HydrophobicContact CE2-CB 3.88Å; Y290-L358 HydrophobicContact CD1-CD1 3.83Å; Y290-L358 HydrophobicContact CE1-CD1 3.67Å; Y290-L358 HydrophobicContact CG-CD1 4.5Å; Y290-V359 CarbonylContact O-C 3.33Å; Y290-V359 VanDerWaalsContact O-CA 3.27Å; Y290-V359 WeakPolarHBondContact O-CA 3.42Å; Y290-A360 HydrophobicContact CD1-CB 4.46Å; Y290-A360 PolarHBondContact N-O 3.33Å; Y290-A360 PolarHBondContact O-N 3.02Å
291V98.3Very high96.1Very high0 Ų014.5 Ų14.50%08%0.079CC..EExtended strand (participates in β ladder)trans-113.3133.9174.8179.30000110.4V246 V247 V256 L260 V359 I370 L374V246-V291 HydrophobicContact CG1-CB 4.26Å; V246-V291 HydrophobicContact CG1-CG2 3.79Å; V247-V291 PolarHBondContact O-N 2.9Å; V256-V291 HydrophobicContact CG1-CG1 4.24Å; L260-V291 HydrophobicContact CD1-CB 4.02Å; L260-V291 HydrophobicContact CD1-CG1 4.17Å; L260-V291 HydrophobicContact CD1-CG2 4.13Å; L260-V291 HydrophobicContact CD2-CG2 4.25Å; V291-V359 HydrophobicContact CG1-CG2 4.36Å; V291-V359 HydrophobicContact CG2-CG1 4.23Å; V291-V359 HydrophobicContact CG2-CG2 4.12Å; V291-I370 HydrophobicContact CG2-CD1 4.4Å; V291-I370 HydrophobicContact CG2-CG2 3.73Å; V291-L374 HydrophobicContact CG1-CD1 3.96Å
292L97.8Very high96.1Very high7 Ų714.5 Ų14.54%0.0378%0.079CC..EExtended strand (participates in β ladder)trans-134.9118.6169.7176.969000109E252 Y290 E294 T297 G357 L358E252-L292 WeakPolarHBondContact OE2-CA 3.39Å; Y290-L292 HydrophobicContact CE2-CB 3.88Å; L292-E294 HydrophobicContact CD1-CB 4.36Å; L292-E294 VanDerWaalsContact CD2-O 3.24Å; L292-E294 WeakPolarHBondContact CD2-O 3.32Å; L292-E294 VanDerWaalsContact CG-O 3.26Å; L292-E294 WeakPolarHBondContact CG-O 3.25Å; L292-T297 HydrophobicContact CD2-CG2 3.42Å; L292-T297 VanDerWaalsContact CD2-CG2 3.42Å; L292-G357 CarbonylContact O-C 3.52Å; L292-G357 WeakPolarHBondContact O-CA 3.33Å; L292-L358 HydrophobicContact CB-CD1 4.22Å; L292-L358 HydrophobicContact CB-CG 4.22Å; L292-L358 HydrophobicContact CD2-CG 4.37Å; L292-L358 PolarHBondContact N-O 2.93Å; L292-L358 PolarHBondContact O-N 2.76Å
293S95.8Very high96.2Very high13 Ų1314.5 Ų14.59%0.0918%0.079CC..  trans-84.6-19.3179.385.20000114.1E252E252-S293 WeakPolarHBondContact OE1-CB 3.36Å; E252-S293 PolarHBondContact OE1-OG 2.86Å; E252-S293 PolarHBondContact OE2-N 3.32Å
294E93.1Very high96.3Very high71 Ų7114.5 Ų14.533%0.3328%0.079SC..SBendtrans-95.4142.1-176.3-76.7-63.3141.200112.1K44 K253 L292 S296K44-E294 IonicContact NZ-OE2 3.73Å; K44-E294 PolarHBondContact NZ-OE2 3.36Å; K253-E294 WeakPolarHBondContact CE-OE1 3.2Å; K253-E294 IonicContact NZ-OE1 3.6Å; K253-E294 PolarHBondContact NZ-OE1 3.07Å; L292-E294 HydrophobicContact CD1-CB 4.36Å; L292-E294 VanDerWaalsContact CD2-O 3.24Å; L292-E294 WeakPolarHBondContact CD2-O 3.32Å; L292-E294 VanDerWaalsContact CG-O 3.26Å; L292-E294 WeakPolarHBondContact CG-O 3.25Å; E294-S296 PolarHBondContact O-N 3.49Å
295G90.8Very high96.4Very high13 Ų1312.2 Ų12.213%0.1347%0.069CC..SBendtrans-76.656.2170.600000113.3K44 N354 H355K44-G295 PolarHBondContact NZ-O 3.21Å; G295-N354 WeakPolarHBondContact CA-O 3.4Å; G295-H355 WeakPolarHBondContact CA-O 3.45Å
296S91.2Very high96.7Very high29 Ų2911.9 Ų11.920%0.2037%0.066CC..  trans-106.75.5-177.166.70000113.8E294E294-S296 PolarHBondContact O-N 3.49Å
297T96.3Very high96.9Very high5 Ų510 Ų103%0.0316%0.056CC..  trans-111161.2173.153.80000110.8A275 L292 D301 A353 N354 L358A275-T297 HydrophobicContact CB-CG2 3.75Å; L292-T297 HydrophobicContact CD2-CG2 3.42Å; L292-T297 VanDerWaalsContact CD2-CG2 3.42Å; T297-D301 WeakPolarHBondContact CA-OD2 3.27Å; T297-D301 WeakPolarHBondContact CB-OD2 3.47Å; T297-A353 CarbonylContact O-C 3.53Å; T297-A353 WeakPolarHBondContact O-CA 3.19Å; T297-N354 PolarHBondContact O-N 3.39Å; T297-N354 PolarHBondContact OG1-ND2 3.43Å; T297-L358 WeakPolarHBondContact OG1-CD2 3.22Å
298F97.6Very high97Very high9 Ų910 Ų104%0.0396%0.055CC..BIsolated β-bridgetrans-123.8179.7-176.9-59-97.2000112N42 W300 D301 S302 A349 W352 A353 N354N42-F298 WeakPolarHBondContact ND2-CE2 3.26Å; F298-W300 VanDerWaalsContact C-N 3.29Å; F298-W300 HydrophobicContact CB-CD2 3.62Å; F298-W300 HydrophobicContact CB-CE3 3.98Å; F298-W300 HydrophobicContact CB-CG 4.24Å; F298-W300 HydrophobicContact CB-CH2 3.82Å; F298-W300 HydrophobicContact CB-CZ2 3.41Å; F298-W300 VanDerWaalsContact CB-CZ2 3.41Å; F298-W300 HydrophobicContact CB-CZ3 4.09Å; F298-W300 AromaticContact CD1-CH2 3.59Å; F298-W300 HydrophobicContact CD1-CH2 3.59Å; F298-W300 AromaticContact CD1-CZ2 3.54Å; F298-W300 HydrophobicContact CD1-CZ2 3.54Å; F298-W300 HydrophobicContact CD1-CZ3 4.42Å; F298-W300 AromaticContact CD2-CZ2 3.76Å; F298-W300 HydrophobicContact CD2-CZ2 3.76Å; F298-W300 HydrophobicContact CE1-CH2 4.35Å; F298-W300 HydrophobicContact CE1-CZ2 4.23Å; F298-W300 HydrophobicContact CE2-CZ2 4.43Å; F298-W300 HydrophobicContact CG-CD2 4.43Å; F298-W300 AromaticContact CG-CE2 3.65Å; F298-W300 AromaticContact CG-CH2 3.77Å; F298-W300 HydrophobicContact CG-CH2 3.77Å; F298-W300 AromaticContact CG-CZ2 3.27Å; F298-W300 HydrophobicContact CG-CZ2 3.27Å; F298-W300 PolarHBondContact O-N 2.94Å; F298-D301 PolarHBondContact N-OD2 3.36Å; F298-D301 PolarHBondContact O-N 3Å; F298-S302 PolarHBondContact O-OG 3.05Å; F298-A349 WeakPolarHBondContact CD1-O 3.35Å; F298-A349 HydrophobicContact CE1-CB 4.18Å; F298-A349 WeakPolarHBondContact CE1-O 3.44Å; F298-W352 WeakPolarHBondContact CA-O 3.23Å; F298-A353 HydrophobicContact CD1-CB 3.84Å; F298-A353 HydrophobicContact CE1-CB 3.74Å; F298-A353 HydrophobicContact CZ-CB 4.43Å; F298-N354 PolarHBondContact O-ND2 2.94Å
299K98.4Very high97.1Very high20 Ų209.3 Ų9.39%0.0875%0.052CC..Hα-helixtrans-60.8-38.3178.2-64.5-39.1173179.90112.4W151 S302 C303 T338 Y339 W352 N354W151-K299 HydrophobicContact CD2-CB 3.82Å; W151-K299 HydrophobicContact CE3-CB 4.42Å; W151-K299 HydrophobicContact CG-CB 4.08Å; W151-K299 HydrophobicContact CZ2-CB 4.04Å; W151-K299 HydrophobicContact CZ2-CG 4.33Å; K299-S302 PolarHBondContact O-N 2.9Å; K299-C303 VanDerWaalsContact O-CB 3.22Å; K299-C303 WeakPolarHBondContact O-CB 3.33Å; K299-C303 PolarHBondContact O-N 2.92Å; K299-T338 VanDerWaalsContact CE-O 3.22Å; K299-T338 WeakPolarHBondContact CE-O 3.43Å; K299-T338 PolarHBondContact NZ-O 3.5Å; K299-Y339 HydrophobicContact CB-CD1 3.9Å; K299-Y339 HydrophobicContact CB-CE1 4.49Å; K299-Y339 HydrophobicContact CD-CD1 3.77Å; K299-Y339 HydrophobicContact CD-CE1 4.15Å; K299-Y339 HydrophobicContact CG-CD1 4.2Å; K299-W352 HydrophobicContact CG-CB 4.08Å; K299-W352 HydrophobicContact CG-CE3 3.99Å; K299-W352 WeakPolarHBondContact CG-O 3.34Å; K299-W352 PolarHBondContact N-O 3.1Å; K299-W352 VanDerWaalsContact N-O 3.1Å; K299-N354 PolarHBondContact NZ-OD1 2.61Å
300W98.4Very high97.1Very high9 Ų911.7 Ų11.73%0.0346%0.061CC..Hα-helixtrans-65.9-41.4178.648.587.2000113.4E79 W151 I152 D153 F298 S302 A349 W352E79-W300 HydrophobicContact CB-CD2 3.97Å; E79-W300 HydrophobicContact CB-CG 4.01Å; E79-W300 HydrophobicContact CB-CZ2 4.29Å; E79-W300 HydrophobicContact CG-CD2 4.49Å; E79-W300 HydrophobicContact CG-CZ2 3.99Å; W151-W300 HydrophobicContact CB-CB 4.47Å; W151-W300 HydrophobicContact CE3-CB 4.32Å; W151-W300 AromaticContact CE3-CE3 3.71Å; W151-W300 HydrophobicContact CE3-CE3 3.71Å; W151-W300 HydrophobicContact CE3-CZ3 4.49Å; W151-W300 HydrophobicContact CH2-CE3 4.33Å; W151-W300 HydrophobicContact CH2-CZ3 4.37Å; W151-W300 AromaticContact CZ3-CE3 3.48Å; W151-W300 HydrophobicContact CZ3-CE3 3.48Å; W151-W300 VanDerWaalsContact CZ3-CE3 3.48Å; W151-W300 AromaticContact CZ3-CZ3 3.82Å; W151-W300 HydrophobicContact CZ3-CZ3 3.82Å; I152-W300 WeakPolarHBondContact O-CB 3.2Å; D153-W300 HydrophobicContact CB-CB 4.08Å; F298-W300 VanDerWaalsContact C-N 3.29Å; F298-W300 HydrophobicContact CB-CD2 3.62Å; F298-W300 HydrophobicContact CB-CE3 3.98Å; F298-W300 HydrophobicContact CB-CG 4.24Å; F298-W300 HydrophobicContact CB-CH2 3.82Å; F298-W300 HydrophobicContact CB-CZ2 3.41Å; F298-W300 VanDerWaalsContact CB-CZ2 3.41Å; F298-W300 HydrophobicContact CB-CZ3 4.09Å; F298-W300 AromaticContact CD1-CH2 3.59Å; F298-W300 HydrophobicContact CD1-CH2 3.59Å; F298-W300 AromaticContact CD1-CZ2 3.54Å; F298-W300 HydrophobicContact CD1-CZ2 3.54Å; F298-W300 HydrophobicContact CD1-CZ3 4.42Å; F298-W300 AromaticContact CD2-CZ2 3.76Å; F298-W300 HydrophobicContact CD2-CZ2 3.76Å; F298-W300 HydrophobicContact CE1-CH2 4.35Å; F298-W300 HydrophobicContact CE1-CZ2 4.23Å; F298-W300 HydrophobicContact CE2-CZ2 4.43Å; F298-W300 HydrophobicContact CG-CD2 4.43Å; F298-W300 AromaticContact CG-CE2 3.65Å; F298-W300 AromaticContact CG-CH2 3.77Å; F298-W300 HydrophobicContact CG-CH2 3.77Å; F298-W300 AromaticContact CG-CZ2 3.27Å; F298-W300 HydrophobicContact CG-CZ2 3.27Å; F298-W300 PolarHBondContact O-N 2.94Å; W300-S302 PolarHBondContact O-N 3.05Å; W300-S302 VanDerWaalsContact O-N 3.14Å; W300-A349 HydrophobicContact CH2-CB 3.99Å; W300-A349 HydrophobicContact CZ2-CB 4.48Å; W300-W352 HydrophobicContact CH2-CB 4.32Å; W300-W352 HydrophobicContact CZ3-CB 3.79Å; W300-W352 HydrophobicContact CZ3-CG 4.24Å
301D98.5Very high97Very high15 Ų1511.9 Ų11.98%0.086%0.063CC..Hα-helixtrans-59.9-28.5177.7-50.7-14.4000114.2L185 A275 T297 F298 P305L185-D301 WeakPolarHBondContact CD1-O 3.14Å; A275-D301 HydrophobicContact CB-CB 3.89Å; T297-D301 WeakPolarHBondContact CA-OD2 3.27Å; T297-D301 WeakPolarHBondContact CB-OD2 3.47Å; F298-D301 PolarHBondContact N-OD2 3.36Å; F298-D301 PolarHBondContact O-N 3Å; D301-P305 WeakPolarHBondContact O-CG 3.44Å
302S98.6Very high96.8Very high1 Ų112.2 Ų12.21%0.0077%0.065CC..Hα-helixtrans-117.9-24-164.457.40000114.4F298 K299 W300 A304 P305 H306 Y339 N354F298-S302 PolarHBondContact O-OG 3.05Å; K299-S302 PolarHBondContact O-N 2.9Å; W300-S302 PolarHBondContact O-N 3.05Å; W300-S302 VanDerWaalsContact O-N 3.14Å; S302-A304 PolarHBondContact O-N 2.8Å; S302-P305 WeakPolarHBondContact O-CD 3.49Å; S302-P305 WeakPolarHBondContact O-CG 3.11Å; S302-H306 WeakPolarHBondContact O-CB 3.35Å; S302-H306 PolarHBondContact O-N 3.21Å; S302-Y339 PolarHBondContact O-OH 3.26Å; S302-Y339 WeakPolarHBondContact OG-CE1 3.3Å; S302-Y339 PolarHBondContact OG-OH 3.36Å; S302-N354 PolarHBondContact OG-ND2 3.27Å
303C98.8Very high96.6Very high0 Ų014 Ų140%09%0.085CC..Hα-helixtrans-61.3-49.1-173.2-170.50000112.9W151 K299 A307 Y339W151-C303 HydrophobicContact CB-CB 4Å; W151-C303 HydrophobicContact CG-CB 4.47Å; K299-C303 VanDerWaalsContact O-CB 3.22Å; K299-C303 WeakPolarHBondContact O-CB 3.33Å; K299-C303 PolarHBondContact O-N 2.92Å; C303-A307 PolarHBondContact O-N 3.31Å; C303-Y339 HydrophobicContact CB-CD1 3.52Å; C303-Y339 HydrophobicContact CB-CE1 3.5Å; C303-Y339 HydrophobicContact CB-CG 4.11Å
304A98.8Very high96.5Very high0 Ų013.7 Ų13.70%08%0.084CC..Hα-helixtrans-63.5-55.1-179.900000112L185 I186 S302 H306 A307 L308L185-A304 HydrophobicContact CB-CB 3.99Å; I186-A304 VanDerWaalsContact C-CB 3.42Å; I186-A304 WeakPolarHBondContact O-CB 3.41Å; S302-A304 PolarHBondContact O-N 2.8Å; A304-H306 VanDerWaalsContact C-N 3.29Å; A304-H306 PolarHBondContact O-N 3.01Å; A304-A307 WeakPolarHBondContact O-CB 3.43Å; A304-A307 PolarHBondContact O-N 3.16Å; A304-L308 WeakPolarHBondContact O-CD1 3.02Å; A304-L308 PolarHBondContact O-N 3.48Å
305P98.6Very high96.7Very high0 Ų010.3 Ų10.30%07%0.068CC..Hα-helixtrans-68.7-26.8-178.429.9-38.5000113.2I201 V279 I283 D301 S302 L308 L309I201-P305 HydrophobicContact CD1-CB 3.76Å; V279-P305 HydrophobicContact CB-CB 3.68Å; V279-P305 HydrophobicContact CB-CG 4Å; V279-P305 HydrophobicContact CG1-CB 3.53Å; V279-P305 HydrophobicContact CG1-CG 4.13Å; V279-P305 HydrophobicContact CG2-CB 4.41Å; V279-P305 HydrophobicContact CG2-CG 4.22Å; I283-P305 HydrophobicContact CD1-CB 3.83Å; D301-P305 WeakPolarHBondContact O-CG 3.44Å; S302-P305 WeakPolarHBondContact O-CD 3.49Å; S302-P305 WeakPolarHBondContact O-CG 3.11Å; P305-L308 PolarHBondContact O-N 3.47Å; P305-L309 PolarHBondContact O-N 3.38Å
306H98.8Very high97.1Very high0 Ų09.7 Ų9.70%06%0.061CC..Hα-helixtrans-62.9-42.6172.3-171.7-179.4000111.6P196 S302 A304 L308 L309 R310 V316 E336 Y339P196-H306 HydrophobicContact CG-CB 4.1Å; S302-H306 WeakPolarHBondContact O-CB 3.35Å; S302-H306 PolarHBondContact O-N 3.21Å; A304-H306 VanDerWaalsContact C-N 3.29Å; A304-H306 PolarHBondContact O-N 3.01Å; H306-L308 VanDerWaalsContact C-N 3.29Å; H306-L308 PolarHBondContact O-N 3.02Å; H306-L309 PolarHBondContact O-N 2.78Å; H306-L309 VanDerWaalsContact O-N 3.16Å; H306-R310 WeakPolarHBondContact O-CG 3.38Å; H306-R310 PolarHBondContact O-N 2.88Å; H306-V316 HydrophobicContact CB-CB 4.16Å; H306-V316 HydrophobicContact CB-CG2 3.62Å; H306-V316 PolarHBondContact CD2-N 3.3Å; H306-V316 PolarHBondContact CE1-O 3.37Å; H306-V316 PolarHBondContact NE2-N 2.98Å; H306-E336 IonicContact CE1-OE2 2.93Å; H306-E336 IonicContact NE2-OE2 3.49Å; H306-E336 PolarHBondContact NE2-OE2 3.27Å; H306-Y339 WeakPolarHBondContact CB-OH 3.46Å; H306-Y339 AromaticContact ND1-CE2 3.48Å; H306-Y339 WeakPolarHBondContact ND1-CE2 3.5Å; H306-Y339 AromaticContact ND1-CZ 3.63Å; H306-Y339 PolarHBondContact ND1-OH 3.42Å
307A98.2Very high97.4Very high0 Ų08.3 Ų8.30%05%0.052CC..Hα-helixtrans-59.1-39.3175.500000112.7P196 C303 A304 R310 A311P196-A307 HydrophobicContact CB-CB 4.16Å; C303-A307 PolarHBondContact O-N 3.31Å; A304-A307 WeakPolarHBondContact O-CB 3.43Å; A304-A307 PolarHBondContact O-N 3.16Å; A307-R310 PolarHBondContact O-N 3.42Å; A307-A311 PolarHBondContact O-N 2.84Å; A307-A311 VanDerWaalsContact O-N 3.1Å
308L98.1Very high97.4Very high0 Ų09.3 Ų9.30%06%0.057CC..Hα-helixtrans-65.1-44.5174.8-82.276.5000111.6G199 I201 I283 A304 P305 H306 R310 A311 L312G199-L308 WeakPolarHBondContact O-CD1 3.37Å; I201-L308 HydrophobicContact CD1-CD1 4.47Å; I201-L308 HydrophobicContact CD1-CD2 3.91Å; I201-L308 HydrophobicContact CG1-CD1 4.41Å; I201-L308 HydrophobicContact CG1-CD2 4.34Å; I283-L308 HydrophobicContact CD1-CB 3.66Å; I283-L308 HydrophobicContact CD1-CD2 4.06Å; I283-L308 HydrophobicContact CD1-CG 4.45Å; I283-L308 HydrophobicContact CG1-CB 4.18Å; I283-L308 HydrophobicContact CG2-CD2 4.19Å; A304-L308 WeakPolarHBondContact O-CD1 3.02Å; A304-L308 PolarHBondContact O-N 3.48Å; P305-L308 PolarHBondContact O-N 3.47Å; H306-L308 VanDerWaalsContact C-N 3.29Å; H306-L308 PolarHBondContact O-N 3.02Å; L308-R310 VanDerWaalsContact C-N 3.34Å; L308-R310 PolarHBondContact O-N 2.78Å; L308-A311 WeakPolarHBondContact O-CB 3.33Å; L308-A311 PolarHBondContact O-N 2.9Å; L308-L312 WeakPolarHBondContact O-CG 3.46Å; L308-L312 PolarHBondContact O-N 3.01Å
309L97.9Very high97.3Very high0 Ų09 Ų90%06%0.056CC..Hα-helixtrans-61.9-41.2177.2-76.1177.1000112.3V279 V282 I283 P305 H306 A311 L312 G313 G314 V316 A360 R362V279-L309 HydrophobicContact CG1-CD1 3.42Å; V279-L309 VanDerWaalsContact CG1-CD1 3.42Å; V279-L309 HydrophobicContact CG1-CG 4.16Å; V282-L309 HydrophobicContact CG1-CD2 3.93Å; I283-L309 HydrophobicContact CB-CD2 4.5Å; I283-L309 HydrophobicContact CD1-CG 4.34Å; I283-L309 HydrophobicContact CG1-CD2 3.56Å; I283-L309 HydrophobicContact CG1-CG 3.71Å; P305-L309 PolarHBondContact O-N 3.38Å; H306-L309 PolarHBondContact O-N 2.78Å; H306-L309 VanDerWaalsContact O-N 3.16Å; L309-A311 VanDerWaalsContact C-N 3.35Å; L309-A311 PolarHBondContact O-N 3.26Å; L309-L312 CarbonylContact O-C 3.56Å; L309-L312 WeakPolarHBondContact O-CA 3.42Å; L309-L312 WeakPolarHBondContact O-CB 3.4Å; L309-L312 PolarHBondContact O-N 3.07Å; L309-G313 PolarHBondContact O-N 3.34Å; L309-G313 VanDerWaalsContact O-N 3.11Å; L309-G314 CarbonylContact O-C 3.52Å; L309-G314 WeakPolarHBondContact O-CA 3.11Å; L309-G314 PolarHBondContact O-N 3.36Å; L309-V316 HydrophobicContact CD1-CG2 3.82Å; L309-A360 HydrophobicContact CD1-CB 3.74Å; L309-R362 HydrophobicContact CD2-CG 3.53Å
310R96.6Very high97.1Very high50 Ų509.7 Ų9.719%0.1897%0.065CC..Hα-helixtrans-59.5-44.8174-71.8-17965.166.32.9111.9E195 H306 A307 L308 L312 G313 G314 E336E195-R310 IonicContact OE1-CZ 2.7Å; E195-R310 IonicContact OE1-NE 3.75Å; E195-R310 IonicContact OE1-NH2 3.97Å; E195-R310 PolarHBondContact OE1-NH2 2.85Å; H306-R310 WeakPolarHBondContact O-CG 3.38Å; H306-R310 PolarHBondContact O-N 2.88Å; A307-R310 PolarHBondContact O-N 3.42Å; L308-R310 VanDerWaalsContact C-N 3.34Å; L308-R310 PolarHBondContact O-N 2.78Å; R310-L312 PolarHBondContact O-N 3.45Å; R310-G313 PolarHBondContact O-N 2.9Å; R310-G314 WeakPolarHBondContact CA-O 3.39Å; R310-E336 IonicContact CZ-OE2 2.8Å; R310-E336 IonicContact NH1-OE1 3.39Å; R310-E336 PolarHBondContact NH1-OE1 3.39Å; R310-E336 IonicContact NH1-OE2 3.82Å; R310-E336 PolarHBondContact NH1-OE2 2.69Å
311A95.6Very high96.8Very high8 Ų813.1 Ų13.17%0.0668%0.084CC..Hα-helixtrans-61.1-27.3175.400000112.3V223 I230 C231 A307 L308 L309V223-A311 WeakPolarHBondContact O-CB 3.26Å; I230-A311 WeakPolarHBondContact O-CB 3.44Å; C231-A311 HydrophobicContact CB-CB 4.06Å; A307-A311 PolarHBondContact O-N 2.84Å; A307-A311 VanDerWaalsContact O-N 3.1Å; L308-A311 WeakPolarHBondContact O-CB 3.33Å; L308-A311 PolarHBondContact O-N 2.9Å; L309-A311 VanDerWaalsContact C-N 3.35Å; L309-A311 PolarHBondContact O-N 3.26Å
312L95.2Very high96.4Very high7 Ų713 Ų134%0.0378%0.084CC..THydrogen-bonded Turntrans-88.34.4173.7-66.4170.9000113.9C231 E233 R235 I283 L308 L309 R310 G314C231-L312 HydrophobicContact CB-CD2 3.88Å; C231-L312 HydrophobicContact CB-CG 4.06Å; E233-L312 WeakPolarHBondContact O-CD2 3.33Å; R235-L312 HydrophobicContact CG-CD2 4.1Å; R235-L312 PolarHBondContact NE-O 3.07Å; R235-L312 VanDerWaalsContact NH2-C 3.33Å; R235-L312 PolarHBondContact NH2-O 3.03Å; I283-L312 HydrophobicContact CB-CD1 4.41Å; I283-L312 HydrophobicContact CG2-CD1 3.88Å; L308-L312 WeakPolarHBondContact O-CG 3.46Å; L308-L312 PolarHBondContact O-N 3.01Å; L309-L312 CarbonylContact O-C 3.56Å; L309-L312 WeakPolarHBondContact O-CA 3.42Å; L309-L312 WeakPolarHBondContact O-CB 3.4Å; L309-L312 PolarHBondContact O-N 3.07Å; R310-L312 PolarHBondContact O-N 3.45Å; L312-G314 VanDerWaalsContact C-N 3.31Å
313G93Very high96.1Very high44 Ų4414.5 Ų14.545%0.4549%0.092SC..THydrogen-bonded Turntrans79.96.4-179.100000115.9L309 R310L309-G313 PolarHBondContact O-N 3.34Å; L309-G313 VanDerWaalsContact O-N 3.11Å; R310-G313 PolarHBondContact O-N 2.9Å
314G95.1Very high95.4Very high6 Ų621.8 Ų21.86%0.06213%0.126CC..  trans-97.7-154170.400000112L309 R310 L312 Y361 R362L309-G314 CarbonylContact O-C 3.52Å; L309-G314 WeakPolarHBondContact O-CA 3.11Å; L309-G314 PolarHBondContact O-N 3.36Å; R310-G314 WeakPolarHBondContact CA-O 3.39Å; L312-G314 VanDerWaalsContact C-N 3.31Å; G314-Y361 VanDerWaalsContact CA-O 3.24Å; G314-Y361 WeakPolarHBondContact CA-O 3.19Å; G314-R362 WeakPolarHBondContact CA-O 3.45Å; G314-R362 PolarHBondContact N-O 3.03Å
315G96.9Very high94.3Very high0 Ų024.8 Ų24.80%014%0.14CC..EExtended strand (participates in β ladder)trans-179.5-170.9176.400000112.8A360 Y361G315-A360 WeakPolarHBondContact O-CA 3.12Å; G315-Y361 PolarHBondContact N-O 2.66Å; G315-Y361 WeakPolarHBondContact O-CD1 3.45Å; G315-Y361 WeakPolarHBondContact O-CE1 3.45Å; G315-Y361 PolarHBondContact O-N 2.87Å
316V98.3Very high92.3Very high0 Ų029.2 Ų29.20%017%0.171CC..EExtended strand (participates in β ladder)trans-130.1118.3172.7-171.10000108.6H306 L309 E336 L337 L358 V359 A360H306-V316 HydrophobicContact CB-CB 4.16Å; H306-V316 HydrophobicContact CB-CG2 3.62Å; H306-V316 PolarHBondContact CD2-N 3.3Å; H306-V316 PolarHBondContact CE1-O 3.37Å; H306-V316 PolarHBondContact NE2-N 2.98Å; L309-V316 HydrophobicContact CD1-CG2 3.82Å; V316-E336 WeakPolarHBondContact O-CA 3.27Å; V316-L337 HydrophobicContact CB-CD1 4.27Å; V316-L337 HydrophobicContact CG1-CD1 3.51Å; V316-L337 HydrophobicContact CG1-CG 4.09Å; V316-L337 PolarHBondContact O-N 2.69Å; V316-L358 HydrophobicContact CG1-CB 3.92Å; V316-L358 HydrophobicContact CG1-CD1 4.29Å; V316-L358 HydrophobicContact CG1-CD2 4.21Å; V316-L358 HydrophobicContact CG1-CG 4.37Å; V316-V359 WeakPolarHBondContact CA-O 3.41Å; V316-A360 HydrophobicContact CG1-CB 4.35Å; V316-A360 HydrophobicContact CG2-CB 3.85Å
317V97.4Very high90.3Very high1 Ų136.8 Ų36.81%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-106.9150.4-179.1-66.50000111.6L319 T335 E336 L358 V359 Y361 L367V317-L319 PolarHBondContact O-N 3.32Å; V317-T335 CarbonylContact C-O 3.58Å; V317-T335 WeakPolarHBondContact CA-O 3.43Å; V317-E336 HydrophobicContact CG1-CG 4.17Å; V317-L358 CarbonylContact O-C 3.48Å; V317-L358 WeakPolarHBondContact O-CA 3.37Å; V317-V359 HydrophobicContact CG2-CB 4.01Å; V317-V359 PolarHBondContact N-O 2.7Å; V317-V359 PolarHBondContact O-N 3.13Å; V317-Y361 HydrophobicContact CG1-CE1 3.98Å; V317-Y361 HydrophobicContact CG2-CE1 4.48Å; V317-L367 HydrophobicContact CG1-CD2 4.43Å; V317-L367 HydrophobicContact CG2-CD1 3.78Å; V317-L367 HydrophobicContact CG2-CD2 4.26Å
318D96.5Very high88.1Confident25 Ų2541 Ų4113%0.13424%0.236CC..EExtended strand (participates in β ladder)trans-67.8120.2165.5-175.1-67.1000108.8A320 L321 S322 T335 L337D318-A320 PolarHBondContact OD1-N 3.47Å; D318-A320 VanDerWaalsContact OD1-N 3.1Å; D318-L321 HydrophobicContact CB-CB 4.05Å; D318-L321 HydrophobicContact CB-CD1 3.93Å; D318-L321 HydrophobicContact CB-CG 4.12Å; D318-L321 WeakPolarHBondContact OD1-CG 3.27Å; D318-L321 PolarHBondContact OD1-N 2.95Å; D318-S322 VanDerWaalsContact O-CB 3.25Å; D318-S322 WeakPolarHBondContact O-CB 3.47Å; D318-S322 PolarHBondContact O-N 3.46Å; D318-S322 PolarHBondContact O-OG 3.11Å; D318-T335 PolarHBondContact N-O 3.02Å; D318-L337 HydrophobicContact CB-CD2 3.87Å
319L95.7Very high85.7Confident3 Ų343.5 Ų43.52%0.01626%0.262CS..Hα-helixtrans-66.1-48.1-174.317068.6000111.3V317 L321 S322 L323 G356 G357 V359 M371 L374 L378V317-L319 PolarHBondContact O-N 3.32Å; L319-L321 PolarHBondContact O-N 3.48Å; L319-S322 PolarHBondContact O-N 2.84Å; L319-L323 HydrophobicContact CD1-CD1 3.93Å; L319-L323 HydrophobicContact CD1-CG 4.03Å; L319-L323 HydrophobicContact CG-CD1 4.03Å; L319-L323 HydrophobicContact CG-CG 4.48Å; L319-L323 WeakPolarHBondContact O-CG 3.42Å; L319-L323 PolarHBondContact O-N 3.29Å; L319-G356 WeakPolarHBondContact CB-O 3.48Å; L319-G357 PolarHBondContact N-O 3.43Å; L319-V359 HydrophobicContact CB-CG2 4.28Å; L319-V359 HydrophobicContact CD1-CG2 3.72Å; L319-V359 HydrophobicContact CG-CG2 4.47Å; L319-M371 HydrophobicContact CD1-CE 3.58Å; L319-M371 HydrophobicContact CD1-SD 4.02Å; L319-L374 HydrophobicContact CD1-CD1 3.82Å; L319-L378 HydrophobicContact CD2-CD1 3.65Å; L319-L378 HydrophobicContact CG-CD1 4.45Å
320A93.8Very high83.5Confident35 Ų3547.3 Ų47.329%0.28929%0.293SS..Hα-helixtrans-61.9-44.5-178.300000112.1D318 S322 L323 Q324 G356D318-A320 PolarHBondContact OD1-N 3.47Å; D318-A320 VanDerWaalsContact OD1-N 3.1Å; A320-S322 VanDerWaalsContact C-N 3.34Å; A320-L323 PolarHBondContact O-N 3.24Å; A320-Q324 WeakPolarHBondContact O-CG 3.47Å; A320-Q324 PolarHBondContact O-N 3.45Å; A320-G356 PolarHBondContact N-O 2.87Å
321L92Very high81.6Confident81 Ų8149 Ų4942%0.42430%0.303SS..Hα-helixtrans-63.5-42175.3-67.1178.9000111.3D318 L319 L323 Q324 Q325D318-L321 HydrophobicContact CB-CB 4.05Å; D318-L321 HydrophobicContact CB-CD1 3.93Å; D318-L321 HydrophobicContact CB-CG 4.12Å; D318-L321 WeakPolarHBondContact OD1-CG 3.27Å; D318-L321 PolarHBondContact OD1-N 2.95Å; L319-L321 PolarHBondContact O-N 3.48Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 3.44Å; L321-Q324 PolarHBondContact O-N 2.93Å; L321-Q325 WeakPolarHBondContact O-CG 3.35Å; L321-Q325 PolarHBondContact O-N 2.97Å
322S91.4Very high80.2Confident13 Ų1349.9 Ų49.99%0.09131%0.307CS..Hα-helixtrans-64.1-35.5179.2-60.60000112.8D318 L319 A320 Q324 Q325D318-S322 VanDerWaalsContact O-CB 3.25Å; D318-S322 WeakPolarHBondContact O-CB 3.47Å; D318-S322 PolarHBondContact O-N 3.46Å; D318-S322 PolarHBondContact O-OG 3.11Å; L319-S322 PolarHBondContact O-N 2.84Å; A320-S322 VanDerWaalsContact C-N 3.34Å; S322-Q324 VanDerWaalsContact C-N 3.33Å; S322-Q325 PolarHBondContact O-N 3.2Å
323L90.5Very high78.6Confident32 Ų3254.5 Ų54.517%0.16834%0.338CS..Hα-helixtrans-70.4-27.5176.6-71.9173.2000113.3L319 A320 L321 Q325 M371 L374 L378L319-L323 HydrophobicContact CD1-CD1 3.93Å; L319-L323 HydrophobicContact CD1-CG 4.03Å; L319-L323 HydrophobicContact CG-CD1 4.03Å; L319-L323 HydrophobicContact CG-CG 4.48Å; L319-L323 WeakPolarHBondContact O-CG 3.42Å; L319-L323 PolarHBondContact O-N 3.29Å; A320-L323 PolarHBondContact O-N 3.24Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 3.44Å; L323-Q325 VanDerWaalsContact C-N 3.33Å; L323-M371 HydrophobicContact CD2-SD 4.07Å; L323-M371 HydrophobicContact CG-SD 4.36Å; L323-L374 HydrophobicContact CD2-CB 4.05Å; L323-L378 HydrophobicContact CD1-CB 3.98Å; L323-L378 HydrophobicContact CD1-CD1 4.14Å
324Q85.2Confident77.6Confident152 Ų15261.9 Ų61.971%0.7135%0.352SS*.Hα-helixtrans-78.2-15.2178.6-70.2172.412.100113.3A320 L321 S322A320-Q324 WeakPolarHBondContact O-CG 3.47Å; A320-Q324 PolarHBondContact O-N 3.45Å; L321-Q324 PolarHBondContact O-N 2.93Å; S322-Q324 VanDerWaalsContact C-N 3.33Å
325Q76.3Confident77.2Confident63 Ų6362 Ų6229%0.29435%0.351SS..SBendtrans-76.5136.1-179.6-63.6-161.5-26.600112.4L321 S322 L323 D332 T335L321-Q325 WeakPolarHBondContact O-CG 3.35Å; L321-Q325 PolarHBondContact O-N 2.97Å; S322-Q325 PolarHBondContact O-N 3.2Å; L323-Q325 VanDerWaalsContact C-N 3.33Å; Q325-D332 PolarHBondContact NE2-OD2 2.95Å; Q325-T335 HydrophobicContact CG-CG2 4.08Å
326S56Low77.1Confident94 Ų9464 Ų6466%0.65736%0.36SS*.  trans-67156175.359.60000112S328S326-S328 PolarHBondContact O-N 3.45Å; S326-S328 PolarHBondContact O-OG 3.5Å
327E57.6Low77Confident159 Ų15964.3 Ų64.374%0.74336%0.362SS*.SBendtrans-61.416.1-175.7-59.3-168.8147.200117.3G329 R375E327-G329 PolarHBondContact O-N 2.9Å; E327-R375 IonicContact OE1-NH1 2.98Å; E327-R375 PolarHBondContact OE1-NH1 3.02Å
328S50.1Low77Confident87 Ų8767 Ų6761%0.60838%0.378SS*.  trans-66.895.2168.949.50000108.5S326 A330S326-S328 PolarHBondContact O-N 3.45Å; S326-S328 PolarHBondContact O-OG 3.5Å; S328-A330 PolarHBondContact O-N 3.26Å
329G49Very low77.1Confident54 Ų5465.8 Ų65.856%0.55737%0.372SS*.  trans-60.414.9-16500000119.5E327 R368E327-G329 PolarHBondContact O-N 2.9Å; G329-R368 PolarHBondContact O-NH2 3.26Å
330A51.6Low77.1Confident79 Ų7967.8 Ų67.865%0.65338%0.381SS*.SBendtrans-85.2129.9167.300000109.7S328 D332S328-A330 PolarHBondContact O-N 3.26Å; A330-D332 PolarHBondContact O-N 2.93Å
331Q56.9Low77.1Confident85 Ų8572.2 Ų72.240%0.39740%0.396SS..PPolyproline II helixtrans-60.4125.4167.3-87.2-178.5-33.100108.6P333 Y361 V364Q331-P333 WeakPolarHBondContact O-CD 3.26Å; Q331-Y361 VanDerWaalsContact NE2-CZ 3.28Å; Q331-Y361 PolarHBondContact NE2-OH 3.38Å; Q331-V364 HydrophobicContact CG-CG2 3.57Å
332D64.9Low77.2Confident27 Ų2770.6 Ų70.614%0.14439%0.39CS..PPolyproline II helixtrans-87.7116.1172-173-6.6000108.6Q325 A330 R334 T335Q325-D332 PolarHBondContact NE2-OD2 2.95Å; A330-D332 PolarHBondContact O-N 2.93Å; D332-R334 PolarHBondContact O-N 3.4Å; D332-R334 VanDerWaalsContact OD1-CB 3.25Å; D332-R334 WeakPolarHBondContact OD1-CB 3.49Å; D332-R334 WeakPolarHBondContact OD1-CG 3.37Å; D332-R334 IonicContact OD1-CZ 3.75Å; D332-R334 PolarHBondContact OD1-N 2.89Å; D332-R334 IonicContact OD1-NE 2.88Å; D332-R334 PolarHBondContact OD1-NE 3.4Å; D332-R334 IonicContact OD1-NH2 3.77Å; D332-R334 IonicContact OD2-CZ 3.07Å; D332-R334 IonicContact OD2-NE 2.74Å; D332-R334 PolarHBondContact OD2-NE 2.93Å; D332-R334 IonicContact OD2-NH2 2.66Å; D332-R334 PolarHBondContact OD2-NH2 3.4Å; D332-T335 PolarHBondContact O-N 2.9Å; D332-T335 PolarHBondContact O-OG1 3.4Å
333P62.2Low77.1Confident105 Ų10575 Ų7568%0.68241%0.405SS*.G310 helixtrans-53.7-17.9176-23.933.7000113.2Q331 T335 E336Q331-P333 WeakPolarHBondContact O-CD 3.26Å; P333-T335 PolarHBondContact O-N 3.24Å; P333-E336 PolarHBondContact O-N 3.26Å
334R71.4Confident76.9Confident199 Ų19978.2 Ų78.275%0.75144%0.436SS*.G310 helixtrans-68.8-12.4176.8-62.3177.7-69.6-178.74114.6D332D332-R334 PolarHBondContact O-N 3.4Å; D332-R334 VanDerWaalsContact OD1-CB 3.25Å; D332-R334 WeakPolarHBondContact OD1-CB 3.49Å; D332-R334 WeakPolarHBondContact OD1-CG 3.37Å; D332-R334 IonicContact OD1-CZ 3.75Å; D332-R334 PolarHBondContact OD1-N 2.89Å; D332-R334 IonicContact OD1-NE 2.88Å; D332-R334 PolarHBondContact OD1-NE 3.4Å; D332-R334 IonicContact OD1-NH2 3.77Å; D332-R334 IonicContact OD2-CZ 3.07Å; D332-R334 IonicContact OD2-NE 2.74Å; D332-R334 PolarHBondContact OD2-NE 2.93Å; D332-R334 IonicContact OD2-NH2 2.66Å; D332-R334 PolarHBondContact OD2-NH2 3.4Å
335T87Confident77.2Confident8 Ų875.6 Ų75.65%0.04943%0.427CS..G310 helixtrans-92.1-13.3176.462.30000114V317 D318 Q325 D332 P333V317-T335 CarbonylContact C-O 3.58Å; V317-T335 WeakPolarHBondContact CA-O 3.43Å; D318-T335 PolarHBondContact N-O 3.02Å; Q325-T335 HydrophobicContact CG-CG2 4.08Å; D332-T335 PolarHBondContact O-N 2.9Å; D332-T335 PolarHBondContact O-OG1 3.4Å; P333-T335 PolarHBondContact O-N 3.24Å
336E95.1Very high77.8Confident41 Ų4178.3 Ų78.319%0.19244%0.435CS..BIsolated β-bridgetrans-63.3144.5175.3-76.7-165.9-14900111.5H306 R310 V316 V317 P333 T338H306-E336 IonicContact CE1-OE2 2.93Å; H306-E336 IonicContact NE2-OE2 3.49Å; H306-E336 PolarHBondContact NE2-OE2 3.27Å; R310-E336 IonicContact CZ-OE2 2.8Å; R310-E336 IonicContact NH1-OE1 3.39Å; R310-E336 PolarHBondContact NH1-OE1 3.39Å; R310-E336 IonicContact NH1-OE2 3.82Å; R310-E336 PolarHBondContact NH1-OE2 2.69Å; V316-E336 WeakPolarHBondContact O-CA 3.27Å; V317-E336 HydrophobicContact CG1-CG 4.17Å; P333-E336 PolarHBondContact O-N 3.26Å; E336-T338 PolarHBondContact O-N 2.93Å
337L97Very high79.2Confident7 Ų777 Ų774%0.03743%0.426CS..  trans-62.8131.4173.9-65.4-175.3000110.2V316 D318 Y339 N354 L358V316-L337 HydrophobicContact CB-CD1 4.27Å; V316-L337 HydrophobicContact CG1-CD1 3.51Å; V316-L337 HydrophobicContact CG1-CG 4.09Å; V316-L337 PolarHBondContact O-N 2.69Å; D318-L337 HydrophobicContact CB-CD2 3.87Å; L337-Y339 HydrophobicContact CB-CE2 4.34Å; L337-Y339 VanDerWaalsContact O-CE2 3.27Å; L337-Y339 WeakPolarHBondContact O-CE2 3.43Å; L337-N354 HydrophobicContact CD1-CB 4.47Å; L337-N354 HydrophobicContact CD2-CB 4.48Å; L337-L358 HydrophobicContact CD1-CB 4.18Å; L337-L358 HydrophobicContact CD1-CD2 4.14Å
338T97.3Very high80.7Confident57 Ų5770.8 Ų70.835%0.3540%0.404SS..  trans-109.5157.3170.766.90000111.1G194 K299 E336G194-T338 WeakPolarHBondContact O-CA 3.48Å; K299-T338 VanDerWaalsContact CE-O 3.22Å; K299-T338 WeakPolarHBondContact CE-O 3.43Å; K299-T338 PolarHBondContact NZ-O 3.5Å; E336-T338 PolarHBondContact O-N 2.93Å
339Y98.1Very high82.4Confident0 Ų067.8 Ų67.80%039%0.385CS..SBendtrans-120.5-1.2-166.6-62.6-81.9000115.1W151 G194 P196 K299 S302 C303 H306 L337W151-Y339 PolarHBondContact NE1-O 2.94Å; G194-Y339 VanDerWaalsContact O-CD2 3.27Å; G194-Y339 WeakPolarHBondContact O-CD2 3.38Å; G194-Y339 PolarHBondContact O-N 3.23Å; P196-Y339 HydrophobicContact CB-CD2 3.97Å; P196-Y339 HydrophobicContact CB-CE2 3.81Å; P196-Y339 HydrophobicContact CG-CD2 4.06Å; P196-Y339 HydrophobicContact CG-CE2 3.58Å; K299-Y339 HydrophobicContact CB-CD1 3.9Å; K299-Y339 HydrophobicContact CB-CE1 4.49Å; K299-Y339 HydrophobicContact CD-CD1 3.77Å; K299-Y339 HydrophobicContact CD-CE1 4.15Å; K299-Y339 HydrophobicContact CG-CD1 4.2Å; S302-Y339 PolarHBondContact O-OH 3.26Å; S302-Y339 WeakPolarHBondContact OG-CE1 3.3Å; S302-Y339 PolarHBondContact OG-OH 3.36Å; C303-Y339 HydrophobicContact CB-CD1 3.52Å; C303-Y339 HydrophobicContact CB-CE1 3.5Å; C303-Y339 HydrophobicContact CB-CG 4.11Å; H306-Y339 WeakPolarHBondContact CB-OH 3.46Å; H306-Y339 AromaticContact ND1-CE2 3.48Å; H306-Y339 WeakPolarHBondContact ND1-CE2 3.5Å; H306-Y339 AromaticContact ND1-CZ 3.63Å; H306-Y339 PolarHBondContact ND1-OH 3.42Å; L337-Y339 HydrophobicContact CB-CE2 4.34Å; L337-Y339 VanDerWaalsContact O-CE2 3.27Å; L337-Y339 WeakPolarHBondContact O-CE2 3.43Å
340H96.4Very high84.4Confident46 Ų4667.3 Ų67.321%0.21337%0.369CS..SBendtrans-95.6-19.2-17368.3-47.1000115.9Y189 T193 G194Y189-H340 HydrophobicContact CD2-CB 4.24Å; Y189-H340 HydrophobicContact CE2-CB 3.77Å; T193-H340 PolarHBondContact O-CE1 3.04Å; G194-H340 VanDerWaalsContact CA-CG 3.48Å; G194-H340 VanDerWaalsContact CA-ND1 3.28Å; G194-H340 WeakPolarHBondContact CA-ND1 3.42Å
341Q92.9Very high86.4Confident128 Ų12868 Ų6860%0.59836%0.355SS*.  trans-114.4121.5-171.8-73179.614.400111.6
342P93.7Very high88.2Confident46 Ų4666.3 Ų66.330%0.29935%0.345SS..  trans-76.4151166.930.1-29.8000109.8A344 R351 W352P342-A344 PolarHBondContact O-N 3.48Å; P342-R351 WeakPolarHBondContact CA-O 3.14Å; P342-R351 HydrophobicContact CB-CB 4.08Å; P342-W352 HydrophobicContact CB-CD2 4.15Å; P342-W352 HydrophobicContact CB-CE3 4.07Å; P342-W352 HydrophobicContact CB-CH2 3.66Å; P342-W352 HydrophobicContact CB-CZ2 3.69Å; P342-W352 HydrophobicContact CB-CZ3 3.84Å; P342-W352 HydrophobicContact CG-CH2 3.82Å; P342-W352 HydrophobicContact CG-CZ2 4.07Å; P342-W352 HydrophobicContact CG-CZ3 4.29Å; P342-W352 VanDerWaalsContact N-CZ3 3.32Å
343R89.2Confident89.7Confident105 Ų10565.3 Ų65.340%0.39634%0.341SS..  trans-68.9132.3165.9-74.1-166.776.7135.4-5.4110.9D345 R346 R351 H355R343-D345 WeakPolarHBondContact CB-OD1 3.46Å; R343-D345 IonicContact CZ-OD1 2.73Å; R343-D345 IonicContact CZ-OD2 3.64Å; R343-D345 IonicContact NE-OD1 3.9Å; R343-D345 PolarHBondContact NE-OD1 3.44Å; R343-D345 IonicContact NE-OD2 3.86Å; R343-D345 IonicContact NH2-OD1 2.77Å; R343-D345 IonicContact NH2-OD2 2.7Å; R343-D345 PolarHBondContact NH2-OD2 2.69Å; R343-R346 HydrophobicContact CB-CB 4.43Å; R343-R346 HydrophobicContact CB-CG 4.2Å; R343-R351 PolarHBondContact N-O 2.75Å; R343-R351 PolarHBondContact O-NE 2.78Å; R343-H355 WeakPolarHBondContact CD-CE1 3.28Å; R343-H355 VanDerWaalsContact CD-ND1 3.26Å; R343-H355 WeakPolarHBondContact CD-ND1 3.26Å
344A88.1Confident91.4Very high101 Ų10160.4 Ų60.484%0.83531%0.309SS*.THydrogen-bonded Turntrans-79.7-24.5-178.300000112.9P342 R346P342-A344 PolarHBondContact O-N 3.48Å; A344-R346 VanDerWaalsContact C-N 3.31Å; A344-R346 PolarHBondContact O-N 3.49Å
345D89.6Confident92.4Very high96 Ų9653.4 Ų53.451%0.51329%0.285SS..THydrogen-bonded Turntrans-86.34.3-177.561.6-39000114R343R343-D345 WeakPolarHBondContact CB-OD1 3.46Å; R343-D345 IonicContact CZ-OD1 2.73Å; R343-D345 IonicContact CZ-OD2 3.64Å; R343-D345 IonicContact NE-OD1 3.9Å; R343-D345 PolarHBondContact NE-OD1 3.44Å; R343-D345 IonicContact NE-OD2 3.86Å; R343-D345 IonicContact NH2-OD1 2.77Å; R343-D345 IonicContact NH2-OD2 2.7Å; R343-D345 PolarHBondContact NH2-OD2 2.69Å
346R88.9Confident92.6Very high120 Ų12053.7 Ų53.745%0.45329%0.289SS..  trans-123.6162.4-177.2-61.2-61.9-172.1-161.2-2.9110.8R343 A344 D350 R351 H355R343-R346 HydrophobicContact CB-CB 4.43Å; R343-R346 HydrophobicContact CB-CG 4.2Å; A344-R346 VanDerWaalsContact C-N 3.31Å; A344-R346 PolarHBondContact O-N 3.49Å; R346-D350 HydrophobicContact CB-CB 4.24Å; R346-R351 HydrophobicContact CB-CB 4.49Å; R346-R351 HydrophobicContact CB-CG 3.82Å; R346-R351 VanDerWaalsContact O-CD 3.24Å; R346-R351 WeakPolarHBondContact O-CD 3.08Å; R346-R351 WeakPolarHBondContact O-CG 3.38Å; R346-H355 PolarHBondContact NE-NE2 3.19Å
347S86.4Confident92.7Very high67 Ų6751.8 Ų51.847%0.46928%0.28SS..  trans-120.3166.9173.161.90000110.7D350S347-D350 PolarHBondContact O-N 3.37Å
348G88Confident92.7Very high28 Ų2851.6 Ų51.629%0.28928%0.279SS..G310 helixtrans56.1-146.5177.600000114.6D350 R351G348-D350 VanDerWaalsContact C-N 3.28Å; G348-D350 PolarHBondContact O-N 3.04Å; G348-R351 WeakPolarHBondContact O-CG 3.38Å; G348-R351 PolarHBondContact O-N 2.95Å
349A87.1Confident92.8Very high25 Ų2548.9 Ų48.921%0.20726%0.262CS..G310 helixtrans-60.8-33.8178.200000112.9F298 W300 R351 W352F298-A349 WeakPolarHBondContact CD1-O 3.35Å; F298-A349 HydrophobicContact CE1-CB 4.18Å; F298-A349 WeakPolarHBondContact CE1-O 3.44Å; W300-A349 HydrophobicContact CH2-CB 3.99Å; W300-A349 HydrophobicContact CZ2-CB 4.48Å; A349-R351 PolarHBondContact O-N 3.26Å; A349-W352 PolarHBondContact O-N 3.29Å
350D89.9Confident92.8Very high43 Ų4348.9 Ų48.923%0.2326%0.262CS..G310 helixtrans-56.4-23.5-178.9-82.1-11.1000112.6K43 R346 S347 G348 W352 A353 H355K43-D350 IonicContact NZ-OD2 3.06Å; R346-D350 HydrophobicContact CB-CB 4.24Å; S347-D350 PolarHBondContact O-N 3.37Å; G348-D350 VanDerWaalsContact C-N 3.28Å; G348-D350 PolarHBondContact O-N 3.04Å; D350-W352 PolarHBondContact O-N 2.89Å; D350-W352 VanDerWaalsContact O-N 3.13Å; D350-A353 PolarHBondContact O-N 2.65Å; D350-H355 PolarHBondContact O-CE1 2.56Å
351R94.1Very high92.8Very high95 Ų9546.8 Ų46.836%0.35825%0.253SS..G310 helixtrans-59.2-23.8174.4-65.9179.469-162.4-1.4113.7P342 R343 R346 G348 A349P342-R351 WeakPolarHBondContact CA-O 3.14Å; P342-R351 HydrophobicContact CB-CB 4.08Å; R343-R351 PolarHBondContact N-O 2.75Å; R343-R351 PolarHBondContact O-NE 2.78Å; R346-R351 HydrophobicContact CB-CB 4.49Å; R346-R351 HydrophobicContact CB-CG 3.82Å; R346-R351 VanDerWaalsContact O-CD 3.24Å; R346-R351 WeakPolarHBondContact O-CD 3.08Å; R346-R351 WeakPolarHBondContact O-CG 3.38Å; G348-R351 WeakPolarHBondContact O-CG 3.38Å; G348-R351 PolarHBondContact O-N 2.95Å; A349-R351 PolarHBondContact O-N 3.26Å
352W95.9Very high92.7Very high48 Ų4842.1 Ų42.118%0.18223%0.23CC..G310 helixtrans-107.45.8-175.3-58.8111.8000112.9W151 F298 K299 W300 P342 A349 D350W151-W352 HydrophobicContact CH2-CB 4.43Å; W151-W352 AromaticContact CH2-CD2 3.54Å; W151-W352 HydrophobicContact CH2-CD2 3.54Å; W151-W352 AromaticContact CH2-CE2 3.64Å; W151-W352 AromaticContact CH2-CE3 3.95Å; W151-W352 HydrophobicContact CH2-CE3 3.95Å; W151-W352 AromaticContact CH2-CG 3.77Å; W151-W352 HydrophobicContact CH2-CG 3.77Å; W151-W352 HydrophobicContact CH2-CH2 4.42Å; W151-W352 HydrophobicContact CH2-CZ2 4.09Å; W151-W352 HydrophobicContact CH2-CZ3 4.37Å; W151-W352 AromaticContact CH2-NE1 3.93Å; W151-W352 AromaticContact CZ2-CD2 3.62Å; W151-W352 HydrophobicContact CZ2-CD2 3.62Å; W151-W352 AromaticContact CZ2-CE2 3.94Å; W151-W352 AromaticContact CZ2-CE3 3.49Å; W151-W352 HydrophobicContact CZ2-CE3 3.49Å; W151-W352 VanDerWaalsContact CZ2-CE3 3.49Å; W151-W352 HydrophobicContact CZ2-CG 4.22Å; W151-W352 AromaticContact CZ2-CH2 3.97Å; W151-W352 HydrophobicContact CZ2-CH2 3.97Å; W151-W352 HydrophobicContact CZ2-CZ2 4.11Å; W151-W352 AromaticContact CZ2-CZ3 3.68Å; W151-W352 HydrophobicContact CZ2-CZ3 3.68Å; F298-W352 WeakPolarHBondContact CA-O 3.23Å; K299-W352 HydrophobicContact CG-CB 4.08Å; K299-W352 HydrophobicContact CG-CE3 3.99Å; K299-W352 WeakPolarHBondContact CG-O 3.34Å; K299-W352 PolarHBondContact N-O 3.1Å; K299-W352 VanDerWaalsContact N-O 3.1Å; W300-W352 HydrophobicContact CH2-CB 4.32Å; W300-W352 HydrophobicContact CZ3-CB 3.79Å; W300-W352 HydrophobicContact CZ3-CG 4.24Å; P342-W352 HydrophobicContact CB-CD2 4.15Å; P342-W352 HydrophobicContact CB-CE3 4.07Å; P342-W352 HydrophobicContact CB-CH2 3.66Å; P342-W352 HydrophobicContact CB-CZ2 3.69Å; P342-W352 HydrophobicContact CB-CZ3 3.84Å; P342-W352 HydrophobicContact CG-CH2 3.82Å; P342-W352 HydrophobicContact CG-CZ2 4.07Å; P342-W352 HydrophobicContact CG-CZ3 4.29Å; P342-W352 VanDerWaalsContact N-CZ3 3.32Å; A349-W352 PolarHBondContact O-N 3.29Å; D350-W352 PolarHBondContact O-N 2.89Å; D350-W352 VanDerWaalsContact O-N 3.13Å
353A96.4Very high92.5Very high7 Ų743.1 Ų43.16%0.05823%0.233CC..BIsolated β-bridgetrans-70.2144.8178.700000112.6T297 F298 D350 H355T297-A353 CarbonylContact O-C 3.53Å; T297-A353 WeakPolarHBondContact O-CA 3.19Å; F298-A353 HydrophobicContact CD1-CB 3.84Å; F298-A353 HydrophobicContact CE1-CB 3.74Å; F298-A353 HydrophobicContact CZ-CB 4.43Å; D350-A353 PolarHBondContact O-N 2.65Å; A353-H355 VanDerWaalsContact C-N 3.27Å; A353-H355 PolarHBondContact O-N 3.36Å; A353-H355 PolarHBondContact O-ND1 2.94Å
354N96Very high92.5Very high2 Ų239.9 Ų39.91%0.01122%0.224CC..  trans-81.571.7170.8-59-43.5000109.5G295 T297 F298 K299 S302 L337 G356 G357G295-N354 WeakPolarHBondContact CA-O 3.4Å; T297-N354 PolarHBondContact O-N 3.39Å; T297-N354 PolarHBondContact OG1-ND2 3.43Å; F298-N354 PolarHBondContact O-ND2 2.94Å; K299-N354 PolarHBondContact NZ-OD1 2.61Å; S302-N354 PolarHBondContact OG-ND2 3.27Å; L337-N354 HydrophobicContact CD1-CB 4.47Å; L337-N354 HydrophobicContact CD2-CB 4.48Å; N354-G356 VanDerWaalsContact C-N 3.27Å; N354-G356 PolarHBondContact O-N 3.33Å; N354-G356 VanDerWaalsContact O-N 3.15Å; N354-G357 PolarHBondContact O-N 2.63Å
355H92.3Very high92.6Very high52 Ų5237.9 Ų37.924%0.24120%0.204CC..THydrogen-bonded Turntrans-57.1-33.8-165.4-72.874.1000115.5G295 R343 R346 D350 A353 G357G295-H355 WeakPolarHBondContact CA-O 3.45Å; R343-H355 WeakPolarHBondContact CD-CE1 3.28Å; R343-H355 VanDerWaalsContact CD-ND1 3.26Å; R343-H355 WeakPolarHBondContact CD-ND1 3.26Å; R346-H355 PolarHBondContact NE-NE2 3.19Å; D350-H355 PolarHBondContact O-CE1 2.56Å; A353-H355 VanDerWaalsContact C-N 3.27Å; A353-H355 PolarHBondContact O-N 3.36Å; A353-H355 PolarHBondContact O-ND1 2.94Å; H355-G357 PolarHBondContact O-N 2.94Å
356G92.9Very high92.5Very high14 Ų1435 Ų3514%0.14419%0.188CC..THydrogen-bonded Turntrans-76.32.6-179.600000114.1L319 A320 N354L319-G356 WeakPolarHBondContact CB-O 3.48Å; A320-G356 PolarHBondContact N-O 2.87Å; N354-G356 VanDerWaalsContact C-N 3.27Å; N354-G356 PolarHBondContact O-N 3.33Å; N354-G356 VanDerWaalsContact O-N 3.15Å
357G96.3Very high92.7Very high0 Ų029.9 Ų29.90%017%0.169CC..  trans72.6-171.6-163.600000110.7L292 L319 N354 H355L292-G357 CarbonylContact O-C 3.52Å; L292-G357 WeakPolarHBondContact O-CA 3.33Å; L319-G357 PolarHBondContact N-O 3.43Å; N354-G357 PolarHBondContact O-N 2.63Å; H355-G357 PolarHBondContact O-N 2.94Å
358L97.9Very high92.9Very high3 Ų332.9 Ų32.92%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-149.3157.6179.160.178.9000113.1Y290 L292 T297 V316 V317 L337Y290-L358 HydrophobicContact CD1-CD1 3.83Å; Y290-L358 HydrophobicContact CE1-CD1 3.67Å; Y290-L358 HydrophobicContact CG-CD1 4.5Å; L292-L358 HydrophobicContact CB-CD1 4.22Å; L292-L358 HydrophobicContact CB-CG 4.22Å; L292-L358 HydrophobicContact CD2-CG 4.37Å; L292-L358 PolarHBondContact N-O 2.93Å; L292-L358 PolarHBondContact O-N 2.76Å; T297-L358 WeakPolarHBondContact OG1-CD2 3.22Å; V316-L358 HydrophobicContact CG1-CB 3.92Å; V316-L358 HydrophobicContact CG1-CD1 4.29Å; V316-L358 HydrophobicContact CG1-CD2 4.21Å; V316-L358 HydrophobicContact CG1-CG 4.37Å; V317-L358 CarbonylContact O-C 3.48Å; V317-L358 WeakPolarHBondContact O-CA 3.37Å; L337-L358 HydrophobicContact CD1-CB 4.18Å; L337-L358 HydrophobicContact CD1-CD2 4.14Å
359V98.1Very high93Very high0 Ų034.1 Ų34.10%017%0.174CC..EExtended strand (participates in β ladder)trans-126.5120161.9-1770000109.2Y290 V291 V316 V317 L319 L367 I370 M371Y290-V359 CarbonylContact O-C 3.33Å; Y290-V359 VanDerWaalsContact O-CA 3.27Å; Y290-V359 WeakPolarHBondContact O-CA 3.42Å; V291-V359 HydrophobicContact CG1-CG2 4.36Å; V291-V359 HydrophobicContact CG2-CG1 4.23Å; V291-V359 HydrophobicContact CG2-CG2 4.12Å; V316-V359 WeakPolarHBondContact CA-O 3.41Å; V317-V359 HydrophobicContact CG2-CB 4.01Å; V317-V359 PolarHBondContact N-O 2.7Å; V317-V359 PolarHBondContact O-N 3.13Å; L319-V359 HydrophobicContact CB-CG2 4.28Å; L319-V359 HydrophobicContact CD1-CG2 3.72Å; L319-V359 HydrophobicContact CG-CG2 4.47Å; V359-L367 HydrophobicContact CB-CD1 3.96Å; V359-L367 HydrophobicContact CG1-CD1 3.67Å; V359-I370 HydrophobicContact CG1-CD1 4.45Å; V359-M371 HydrophobicContact CB-CE 4.2Å; V359-M371 HydrophobicContact CG1-CE 4.48Å; V359-M371 HydrophobicContact CG2-CE 3.51Å
360A98.4Very high93.4Very high0 Ų033 Ų330%017%0.165CC..EExtended strand (participates in β ladder)trans-99.1132171.500000109.4V279 A289 Y290 L309 G315 V316V279-A360 HydrophobicContact CG1-CB 3.87Å; V279-A360 HydrophobicContact CG2-CB 4.19Å; A289-A360 CarbonylContact C-O 3.57Å; A289-A360 VanDerWaalsContact CA-O 3.22Å; A289-A360 WeakPolarHBondContact CA-O 3.27Å; A289-A360 WeakPolarHBondContact CB-O 3.19Å; Y290-A360 HydrophobicContact CD1-CB 4.46Å; Y290-A360 PolarHBondContact N-O 3.33Å; Y290-A360 PolarHBondContact O-N 3.02Å; L309-A360 HydrophobicContact CD1-CB 3.74Å; G315-A360 WeakPolarHBondContact O-CA 3.12Å; V316-A360 HydrophobicContact CG1-CB 4.35Å; V316-A360 HydrophobicContact CG2-CB 3.85Å
361Y96.3Very high93.5Very high3 Ų331.7 Ų31.71%0.01216%0.158CC..EExtended strand (participates in β ladder)trans-148.4159.1-171.967.3-79.4000110.9G314 G315 V317 Q331 D363 V364 L367G314-Y361 VanDerWaalsContact CA-O 3.24Å; G314-Y361 WeakPolarHBondContact CA-O 3.19Å; G315-Y361 PolarHBondContact N-O 2.66Å; G315-Y361 WeakPolarHBondContact O-CD1 3.45Å; G315-Y361 WeakPolarHBondContact O-CE1 3.45Å; G315-Y361 PolarHBondContact O-N 2.87Å; V317-Y361 HydrophobicContact CG1-CE1 3.98Å; V317-Y361 HydrophobicContact CG2-CE1 4.48Å; Q331-Y361 VanDerWaalsContact NE2-CZ 3.28Å; Q331-Y361 PolarHBondContact NE2-OH 3.38Å; Y361-D363 WeakPolarHBondContact CD2-O 3.5Å; Y361-V364 HydrophobicContact CE2-CB 4.49Å; Y361-L367 HydrophobicContact CD1-CB 4.26Å; Y361-L367 HydrophobicContact CD1-CD1 4.12Å; Y361-L367 HydrophobicContact CD1-CD2 4.03Å; Y361-L367 HydrophobicContact CD1-CG 4.36Å; Y361-L367 HydrophobicContact CD2-CB 4.03Å; Y361-L367 HydrophobicContact CE1-CD2 3.76Å; Y361-L367 HydrophobicContact CE2-CB 4.47Å; Y361-L367 HydrophobicContact CE2-CD2 4.24Å; Y361-L367 HydrophobicContact CG-CB 3.93Å; Y361-L367 HydrophobicContact CG-CD2 4.43Å
362R91.1Very high93.4Very high30 Ų3029.4 Ų29.411%0.11316%0.163CC..SBendtrans-105.8-32.8171.2-76177.272167.925.8113.8S234 V282 I283 L309 G314S234-R362 PolarHBondContact O-NH2 3.03Å; V282-R362 HydrophobicContact CG1-CG 3.95Å; V282-R362 WeakPolarHBondContact O-CD 3.4Å; I283-R362 PolarHBondContact O-NH1 2.99Å; I283-R362 PolarHBondContact O-NH2 2.93Å; L309-R362 HydrophobicContact CD2-CG 3.53Å; G314-R362 WeakPolarHBondContact CA-O 3.45Å; G314-R362 PolarHBondContact N-O 3.03Å
363D90.1Very high93.2Very high67 Ų6728 Ų2836%0.35816%0.162SC..  trans-117.8125.4178.6-177.7-3.7000110.4Y361 S365 Q366 L367Y361-D363 WeakPolarHBondContact CD2-O 3.5Å; D363-S365 PolarHBondContact O-N 2.99Å; D363-S365 WeakPolarHBondContact OD1-CB 3.42Å; D363-S365 PolarHBondContact OD1-N 3.5Å; D363-S365 PolarHBondContact OD1-OG 3.47Å; D363-S365 PolarHBondContact OD2-OG 3.03Å; D363-Q366 HydrophobicContact CB-CG 4Å; D363-Q366 WeakPolarHBondContact O-CB 3.37Å; D363-Q366 PolarHBondContact O-N 2.97Å; D363-Q366 VanDerWaalsContact O-N 3.1Å; D363-L367 PolarHBondContact O-N 2.97Å
364V89.3Confident93.1Very high36 Ų3627.7 Ų27.722%0.21816%0.159CC..Hα-helixtrans-56.1-30.9175.160.30000112.6Q331 Y361 Q366 L367 R368Q331-V364 HydrophobicContact CG-CG2 3.57Å; Y361-V364 HydrophobicContact CE2-CB 4.49Å; V364-Q366 VanDerWaalsContact C-N 3.31Å; V364-Q366 PolarHBondContact O-N 3.17Å; V364-L367 PolarHBondContact O-N 3.13Å; V364-R368 WeakPolarHBondContact O-CG 3.31Å; V364-R368 PolarHBondContact O-N 3.12Å
365S88.7Confident92.8Very high59 Ų5932.6 Ų32.641%0.41318%0.178SC..Hα-helixtrans-61.6-41.8177.282.10000111.3D363 R368 S369D363-S365 PolarHBondContact O-N 2.99Å; D363-S365 WeakPolarHBondContact OD1-CB 3.42Å; D363-S365 PolarHBondContact OD1-N 3.5Å; D363-S365 PolarHBondContact OD1-OG 3.47Å; D363-S365 PolarHBondContact OD2-OG 3.03Å; S365-R368 PolarHBondContact O-N 3.18Å; S365-S369 PolarHBondContact O-N 3.31Å; S365-S369 VanDerWaalsContact O-N 3.14Å
366Q89.2Confident92.3Very high36 Ų3633.8 Ų33.817%0.16820%0.204CC..Hα-helixtrans-67.6-42.9177.4-61.8172.1-20.500110.8L244 D288 D363 V364 R368 S369 I370L244-Q366 HydrophobicContact CD1-CB 3.76Å; L244-Q366 HydrophobicContact CD1-CG 3.92Å; D288-Q366 VanDerWaalsContact CG-NE2 3.29Å; D288-Q366 PolarHBondContact O-OE1 3.07Å; D288-Q366 PolarHBondContact OD1-NE2 2.9Å; D363-Q366 HydrophobicContact CB-CG 4Å; D363-Q366 WeakPolarHBondContact O-CB 3.37Å; D363-Q366 PolarHBondContact O-N 2.97Å; D363-Q366 VanDerWaalsContact O-N 3.1Å; V364-Q366 VanDerWaalsContact C-N 3.31Å; V364-Q366 PolarHBondContact O-N 3.17Å; Q366-R368 VanDerWaalsContact C-N 3.33Å; Q366-R368 PolarHBondContact O-N 3.41Å; Q366-S369 WeakPolarHBondContact O-CB 3.47Å; Q366-S369 PolarHBondContact O-N 3Å; Q366-I370 WeakPolarHBondContact O-CG1 3.35Å; Q366-I370 PolarHBondContact O-N 3.18Å
367L92.3Very high91.8Very high12 Ų1239 Ų396%0.06322%0.222CC..Hα-helixtrans-55.8-47.4173.7176.267000111.4V317 V359 Y361 D363 V364 S369 I370 M371V317-L367 HydrophobicContact CG1-CD2 4.43Å; V317-L367 HydrophobicContact CG2-CD1 3.78Å; V317-L367 HydrophobicContact CG2-CD2 4.26Å; V359-L367 HydrophobicContact CB-CD1 3.96Å; V359-L367 HydrophobicContact CG1-CD1 3.67Å; Y361-L367 HydrophobicContact CD1-CB 4.26Å; Y361-L367 HydrophobicContact CD1-CD1 4.12Å; Y361-L367 HydrophobicContact CD1-CD2 4.03Å; Y361-L367 HydrophobicContact CD1-CG 4.36Å; Y361-L367 HydrophobicContact CD2-CB 4.03Å; Y361-L367 HydrophobicContact CE1-CD2 3.76Å; Y361-L367 HydrophobicContact CE2-CB 4.47Å; Y361-L367 HydrophobicContact CE2-CD2 4.24Å; Y361-L367 HydrophobicContact CG-CB 3.93Å; Y361-L367 HydrophobicContact CG-CD2 4.43Å; D363-L367 PolarHBondContact O-N 2.97Å; V364-L367 PolarHBondContact O-N 3.13Å; L367-S369 VanDerWaalsContact C-N 3.32Å; L367-S369 PolarHBondContact O-N 3.42Å; L367-I370 PolarHBondContact O-N 2.97Å; L367-M371 HydrophobicContact CD1-CE 3.76Å; L367-M371 HydrophobicContact CD1-CG 4.18Å; L367-M371 HydrophobicContact CG-CG 4.32Å; L367-M371 WeakPolarHBondContact O-CG 3.44Å; L367-M371 PolarHBondContact O-N 3Å
368R90.6Very high91.2Very high130 Ų13044 Ų4449%0.49125%0.249SC..Hα-helixtrans-60-42.7178.8-70.9-179.3-170.6122.5-4.6111.8G329 V364 S365 Q366 I370 M371 G372G329-R368 PolarHBondContact O-NH2 3.26Å; V364-R368 WeakPolarHBondContact O-CG 3.31Å; V364-R368 PolarHBondContact O-N 3.12Å; S365-R368 PolarHBondContact O-N 3.18Å; Q366-R368 VanDerWaalsContact C-N 3.33Å; Q366-R368 PolarHBondContact O-N 3.41Å; R368-I370 VanDerWaalsContact C-N 3.32Å; R368-I370 PolarHBondContact O-N 2.98Å; R368-M371 PolarHBondContact O-N 2.88Å; R368-G372 PolarHBondContact O-N 3.11Å
369S91.1Very high90.9Very high54 Ų5446.1 Ų46.138%0.37826%0.26SS..Hα-helixtrans-60.5-42.5176.7-166.60000111.9V263 S365 Q366 L367 G372 A373V263-S369 WeakPolarHBondContact CG1-OG 3.45Å; S365-S369 PolarHBondContact O-N 3.31Å; S365-S369 VanDerWaalsContact O-N 3.14Å; Q366-S369 WeakPolarHBondContact O-CB 3.47Å; Q366-S369 PolarHBondContact O-N 3Å; L367-S369 VanDerWaalsContact C-N 3.32Å; L367-S369 PolarHBondContact O-N 3.42Å; S369-G372 PolarHBondContact O-N 3.42Å; S369-A373 PolarHBondContact O-N 3.49Å
370I93.6Very high90.5Very high1 Ų148.5 Ų48.51%0.00527%0.274CS..Hα-helixtrans-66.5-46177.6-68.3166.2000111L244 V246 L260 A289 V291 V359 Q366 L367 R368 G372 A373 L374L244-I370 HydrophobicContact CD1-CD1 4.42Å; L244-I370 HydrophobicContact CD2-CD1 4.4Å; L244-I370 HydrophobicContact CD2-CG1 3.86Å; V246-I370 HydrophobicContact CG2-CD1 4.32Å; L260-I370 HydrophobicContact CD2-CG1 4.47Å; L260-I370 HydrophobicContact CD2-CG2 3.94Å; A289-I370 HydrophobicContact CB-CD1 3.19Å; V291-I370 HydrophobicContact CG2-CD1 4.4Å; V291-I370 HydrophobicContact CG2-CG2 3.73Å; V359-I370 HydrophobicContact CG1-CD1 4.45Å; Q366-I370 WeakPolarHBondContact O-CG1 3.35Å; Q366-I370 PolarHBondContact O-N 3.18Å; L367-I370 PolarHBondContact O-N 2.97Å; R368-I370 VanDerWaalsContact C-N 3.32Å; R368-I370 PolarHBondContact O-N 2.98Å; I370-G372 VanDerWaalsContact C-N 3.29Å; I370-G372 PolarHBondContact O-N 2.53Å; I370-A373 WeakPolarHBondContact O-CB 3.34Å; I370-A373 PolarHBondContact O-N 2.86Å; I370-A373 VanDerWaalsContact O-N 3.15Å; I370-L374 HydrophobicContact CG2-CD1 3.72Å; I370-L374 HydrophobicContact CG2-CG 4.36Å; I370-L374 WeakPolarHBondContact O-CG 3.45Å; I370-L374 PolarHBondContact O-N 2.89Å
371M93.1Very high90Very high17 Ų1751.2 Ų51.28%0.08429%0.289CS..Hα-helixtrans-60-41.1178.3-70.1-53.1102.400111.5L319 L323 V359 L367 R368 A373 L374 R375L319-M371 HydrophobicContact CD1-CE 3.58Å; L319-M371 HydrophobicContact CD1-SD 4.02Å; L323-M371 HydrophobicContact CD2-SD 4.07Å; L323-M371 HydrophobicContact CG-SD 4.36Å; V359-M371 HydrophobicContact CB-CE 4.2Å; V359-M371 HydrophobicContact CG1-CE 4.48Å; V359-M371 HydrophobicContact CG2-CE 3.51Å; L367-M371 HydrophobicContact CD1-CE 3.76Å; L367-M371 HydrophobicContact CD1-CG 4.18Å; L367-M371 HydrophobicContact CG-CG 4.32Å; L367-M371 WeakPolarHBondContact O-CG 3.44Å; L367-M371 PolarHBondContact O-N 3Å; R368-M371 PolarHBondContact O-N 2.88Å; M371-A373 VanDerWaalsContact C-N 3.33Å; M371-A373 PolarHBondContact O-N 3.38Å; M371-L374 HydrophobicContact CE-CD1 4.49Å; M371-L374 PolarHBondContact O-N 3.4Å; M371-R375 WeakPolarHBondContact O-CB 3.44Å; M371-R375 PolarHBondContact O-N 3.36Å
372G91.6Very high89.7Confident46 Ų4654 Ų5447%0.47431%0.306SS..Hα-helixtrans-60.6-40.2175.600000113R368 S369 I370R368-G372 PolarHBondContact O-N 3.11Å; S369-G372 PolarHBondContact O-N 3.42Å; I370-G372 VanDerWaalsContact C-N 3.29Å; I370-G372 PolarHBondContact O-N 2.53Å
373A91.9Very high89.6Confident19 Ų1955.5 Ų55.516%0.15732%0.318CS..Hα-helixtrans-69.6-37.6179.100000113.4V263 S369 I370 M371V263-A373 HydrophobicContact CG2-CB 3.58Å; S369-A373 PolarHBondContact O-N 3.49Å; I370-A373 WeakPolarHBondContact O-CB 3.34Å; I370-A373 PolarHBondContact O-N 2.86Å; I370-A373 VanDerWaalsContact O-N 3.15Å; M371-A373 VanDerWaalsContact C-N 3.33Å; M371-A373 PolarHBondContact O-N 3.38Å
374L93.8Very high89.6Confident0 Ų054.7 Ų54.70%032%0.315CS..Hα-helixtrans-84.7-18.1-175.8-65.7176.6000113.2V256 A259 L260 V291 L319 L323 I370 M371 G376 K377 L378V256-L374 HydrophobicContact CB-CD2 4.49Å; V256-L374 HydrophobicContact CG1-CD2 3.99Å; A259-L374 HydrophobicContact CB-CD2 3.96Å; L260-L374 HydrophobicContact CD2-CD1 4.43Å; L260-L374 HydrophobicContact CD2-CD2 4.17Å; L260-L374 HydrophobicContact CD2-CG 4.29Å; L260-L374 HydrophobicContact CG-CD2 4.2Å; V291-L374 HydrophobicContact CG1-CD1 3.96Å; L319-L374 HydrophobicContact CD1-CD1 3.82Å; L323-L374 HydrophobicContact CD2-CB 4.05Å; I370-L374 HydrophobicContact CG2-CD1 3.72Å; I370-L374 HydrophobicContact CG2-CG 4.36Å; I370-L374 WeakPolarHBondContact O-CG 3.45Å; I370-L374 PolarHBondContact O-N 2.89Å; M371-L374 HydrophobicContact CE-CD1 4.49Å; M371-L374 PolarHBondContact O-N 3.4Å; L374-G376 PolarHBondContact O-N 3.17Å; L374-K377 WeakPolarHBondContact O-CB 3.45Å; L374-K377 PolarHBondContact O-N 2.59Å; L374-L378 HydrophobicContact CD2-CD1 4.49Å
375R89.9Confident89.6Confident106 Ų10656.1 Ų56.140%0.432%0.322SS..THydrogen-bonded Turntrans-60.2125.8-179.8-168.8178.3-73.1157.8-6.4110.9E327 M371 K377E327-R375 IonicContact OE1-NH1 2.98Å; E327-R375 PolarHBondContact OE1-NH1 3.02Å; M371-R375 WeakPolarHBondContact O-CB 3.44Å; M371-R375 PolarHBondContact O-N 3.36Å; R375-K377 VanDerWaalsContact C-N 3.27Å; R375-K377 PolarHBondContact O-N 2.96Å
376G81.6Confident89.6Confident76 Ų7655.8 Ų55.878%0.78432%0.315SS*.THydrogen-bonded Turntrans77.37.5-177.200000114.8L374L374-G376 PolarHBondContact O-N 3.17Å
377K83.7Confident89.7Confident124 Ų12457.5 Ų57.554%0.53933%0.327SS..THydrogen-bonded Turntrans-107.3-16.6173.6-57.5-63.4-175178.90113.5A259 L374 R375A259-K377 HydrophobicContact CB-CG 4.09Å; L374-K377 WeakPolarHBondContact O-CB 3.45Å; L374-K377 PolarHBondContact O-N 2.59Å; R375-K377 VanDerWaalsContact C-N 3.27Å; R375-K377 PolarHBondContact O-N 2.96Å
378L83.1Confident89.4Confident105 Ų10561.6 Ų61.655%0.5535%0.351SS..  trans-126.10-177.7-76.1175.9000111.6K253 V256 L319 L323 L374K253-L378 HydrophobicContact CD-CD2 4.16Å; V256-L378 HydrophobicContact CG2-CD1 3.96Å; V256-L378 HydrophobicContact CG2-CD2 3.58Å; V256-L378 HydrophobicContact CG2-CG 3.93Å; L319-L378 HydrophobicContact CD2-CD1 3.65Å; L319-L378 HydrophobicContact CG-CD1 4.45Å; L323-L378 HydrophobicContact CD1-CB 3.98Å; L323-L378 HydrophobicContact CD1-CD1 4.14Å; L374-L378 HydrophobicContact CD2-CD1 4.49Å

Retrieved 378 of 378 residues in 158.2 ms (Link to these results)

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