A0A3Q0KJR7_SCHMA Loading...

RWD domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KJR7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 284 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
1M79.9Confident92.5Very high160 Ų16048.2 Ų48.279%0.78825%0.251SS*.  0-49.10-160.5-178.5-67.500110.8S4 L5 L44M1-S4 WeakPolarHBondContact O-CB 3.35Å; M1-S4 PolarHBondContact O-N 3.4Å; M1-L5 PolarHBondContact O-N 3.32Å; M1-L44 HydrophobicContact CB-CD1 4.1Å; M1-L44 HydrophobicContact CB-CD2 4.27Å; M1-L44 HydrophobicContact CG-CD1 3.92Å; M1-L44 HydrophobicContact CG-CD2 3.74Å; M1-L44 HydrophobicContact CG-CG 4.5Å; M1-L44 HydrophobicContact SD-CD1 3.39Å; M1-L44 WeakPolarHBondContact SD-CD1 3.38Å; M1-L44 HydrophobicContact SD-CD2 4.02Å; M1-L44 HydrophobicContact SD-CG 4.31Å
2V86.9Confident92.8Very high34 Ų3444.2 Ų44.221%0.20623%0.231CC..Hα-helixtrans-61-43.1172.2179.90000112.1S4 L5 K6 D42 L44V2-S4 VanDerWaalsContact C-N 3.31Å; V2-S4 PolarHBondContact O-N 3.22Å; V2-L5 WeakPolarHBondContact O-CA 3.35Å; V2-L5 VanDerWaalsContact O-CB 3.31Å; V2-L5 WeakPolarHBondContact O-CB 3.37Å; V2-L5 PolarHBondContact O-N 3.38Å; V2-K6 PolarHBondContact O-N 3.32Å; V2-D42 HydrophobicContact CG1-CB 4.27Å; V2-D42 WeakPolarHBondContact CG1-OD1 3.33Å; V2-L44 HydrophobicContact CG2-CD1 4.42Å; V2-L44 HydrophobicContact CG2-CD2 4.15Å; V2-L44 HydrophobicContact CG2-CG 3.99Å
3D89.9Confident93.1Very high114 Ų11446.2 Ų46.261%0.6124%0.238SC*.Hα-helixtrans-60.8-39.7176.2-55.2-43.5000112.8L5 K6 S7D3-L5 VanDerWaalsContact C-N 3.35Å; D3-K6 PolarHBondContact O-N 3.16Å; D3-S7 PolarHBondContact O-N 3.04Å; D3-S7 PolarHBondContact O-OG 3.03Å; D3-S7 VanDerWaalsContact O-OG 3.05Å
4S91.8Very high93.4Very high11 Ų1148.9 Ų48.98%0.07725%0.253CS..Hα-helixtrans-60.5-44.4173169.30000111M1 V2 K6 S7 K8 G69 Y70 P71M1-S4 WeakPolarHBondContact O-CB 3.35Å; M1-S4 PolarHBondContact O-N 3.4Å; V2-S4 VanDerWaalsContact C-N 3.31Å; V2-S4 PolarHBondContact O-N 3.22Å; S4-K6 PolarHBondContact O-N 2.82Å; S4-S7 PolarHBondContact O-N 2.87Å; S4-K8 WeakPolarHBondContact O-CB 3.25Å; S4-K8 PolarHBondContact O-N 3.22Å; S4-G69 PolarHBondContact OG-O 3.17Å; S4-Y70 PolarHBondContact OG-O 3.41Å; S4-P71 WeakPolarHBondContact CB-O 3.42Å; S4-P71 WeakPolarHBondContact O-CD 3.36Å; S4-P71 PolarHBondContact OG-O 3.06Å
5L93.9Very high93.7Very high4 Ų445.7 Ų45.72%0.02124%0.236CC..Hα-helixtrans-60.6-44.3175.1-167.164.6000112.2M1 V2 D3 K8 I9 V35 A39 L44 T48M1-L5 PolarHBondContact O-N 3.32Å; V2-L5 WeakPolarHBondContact O-CA 3.35Å; V2-L5 VanDerWaalsContact O-CB 3.31Å; V2-L5 WeakPolarHBondContact O-CB 3.37Å; V2-L5 PolarHBondContact O-N 3.38Å; D3-L5 VanDerWaalsContact C-N 3.35Å; L5-K8 WeakPolarHBondContact O-CB 3.49Å; L5-K8 PolarHBondContact O-N 3.49Å; L5-I9 WeakPolarHBondContact O-CG1 3.24Å; L5-I9 PolarHBondContact O-N 2.76Å; L5-V35 HydrophobicContact CD1-CG1 3.5Å; L5-V35 VanDerWaalsContact CD1-CG1 3.5Å; L5-V35 HydrophobicContact CG-CG1 4.25Å; L5-A39 HydrophobicContact CD2-CB 4Å; L5-A39 HydrophobicContact CG-CB 3.98Å; L5-L44 HydrophobicContact CD2-CD2 4.25Å; L5-T48 HydrophobicContact CD1-CG2 4.06Å
6K94.5Very high93.8Very high68 Ų6846.5 Ų46.530%0.29624%0.24SC..Hα-helixtrans-61.4-50.3175.7-72.3-177.6173.8179.20111.2V2 D3 S4 K8 I9 D10 A39 D42V2-K6 PolarHBondContact O-N 3.32Å; D3-K6 PolarHBondContact O-N 3.16Å; S4-K6 PolarHBondContact O-N 2.82Å; K6-K8 VanDerWaalsContact C-N 3.28Å; K6-K8 PolarHBondContact O-N 2.72Å; K6-I9 PolarHBondContact O-N 3.38Å; K6-D10 PolarHBondContact O-N 3.14Å; K6-A39 WeakPolarHBondContact CE-O 3.39Å; K6-A39 HydrophobicContact CG-CB 4.24Å; K6-D42 WeakPolarHBondContact CE-OD1 3.38Å; K6-D42 IonicContact NZ-OD1 2.6Å; K6-D42 PolarHBondContact NZ-OD1 3.47Å; K6-D42 IonicContact NZ-OD2 3.1Å; K6-D42 PolarHBondContact NZ-OD2 3.32Å; K6-D42 VanDerWaalsContact NZ-OD2 3.1Å
7S95Very high93.9Very high22 Ų2249.2 Ų49.215%0.15426%0.264CS..Hα-helixtrans-59-37.1176.2-58.20000113.1D3 S4 E11 W73D3-S7 PolarHBondContact O-N 3.04Å; D3-S7 PolarHBondContact O-OG 3.03Å; D3-S7 VanDerWaalsContact O-OG 3.05Å; S4-S7 PolarHBondContact O-N 2.87Å; S7-E11 WeakPolarHBondContact O-CB 3.37Å; S7-E11 PolarHBondContact O-N 2.9Å; S7-W73 PolarHBondContact OG-NE1 3.24Å; S7-W73 VanDerWaalsContact OG-NE1 3.15Å
8K95.8Very high94Very high1 Ų151.6 Ų51.60%0.00428%0.275CS..Hα-helixtrans-60.5-48.1174-177-172.3-65-163.80110.7S4 L5 K6 V12 T48 V50 L66 P67 Y70S4-K8 WeakPolarHBondContact O-CB 3.25Å; S4-K8 PolarHBondContact O-N 3.22Å; L5-K8 WeakPolarHBondContact O-CB 3.49Å; L5-K8 PolarHBondContact O-N 3.49Å; K6-K8 VanDerWaalsContact C-N 3.28Å; K6-K8 PolarHBondContact O-N 2.72Å; K8-V12 VanDerWaalsContact O-CG2 3.31Å; K8-V12 WeakPolarHBondContact O-CG2 3.46Å; K8-V12 PolarHBondContact O-N 2.74Å; K8-V12 VanDerWaalsContact O-N 3.11Å; K8-T48 PolarHBondContact NZ-O 3.46Å; K8-V50 HydrophobicContact CD-CB 4.43Å; K8-V50 HydrophobicContact CD-CG2 4.03Å; K8-L66 HydrophobicContact CD-CB 4.2Å; K8-L66 HydrophobicContact CD-CD1 4.43Å; K8-L66 HydrophobicContact CG-CB 4.46Å; K8-L66 HydrophobicContact CG-CD1 3.88Å; K8-L66 PolarHBondContact NZ-O 2.66Å; K8-L66 VanDerWaalsContact NZ-O 3.16Å; K8-P67 PolarHBondContact NZ-O 3.36Å; K8-Y70 WeakPolarHBondContact CE-O 3.49Å; K8-Y70 HydrophobicContact CG-CD1 4.32Å
9I96.3Very high94.1Very high7 Ų749.9 Ų49.94%0.03627%0.265CS..Hα-helixtrans-64.3-47.3178.1-67.5-58000110.7L5 K6 E11 V12 E13 Y32 V35 K36 A39L5-I9 WeakPolarHBondContact O-CG1 3.24Å; L5-I9 PolarHBondContact O-N 2.76Å; K6-I9 PolarHBondContact O-N 3.38Å; I9-E11 VanDerWaalsContact C-N 3.29Å; I9-E11 PolarHBondContact O-N 2.82Å; I9-V12 PolarHBondContact O-N 2.86Å; I9-V12 VanDerWaalsContact O-N 3.1Å; I9-E13 HydrophobicContact CG2-CG 4.1Å; I9-E13 WeakPolarHBondContact O-CG 3.42Å; I9-E13 PolarHBondContact O-N 2.84Å; I9-Y32 HydrophobicContact CD1-CD2 4.23Å; I9-Y32 HydrophobicContact CD1-CE2 3.7Å; I9-V35 HydrophobicContact CD1-CG1 4.03Å; I9-K36 HydrophobicContact CD1-CB 4.02Å; I9-K36 HydrophobicContact CG2-CB 4.41Å; I9-K36 HydrophobicContact CG2-CG 4.09Å; I9-A39 HydrophobicContact CG1-CB 4.01Å
10D96.5Very high94.1Very high97 Ų9749.9 Ų49.952%0.51927%0.269SS..Hα-helixtrans-56.3-43.5179-64.2-26.1000111.7K6 L14K6-D10 PolarHBondContact O-N 3.14Å; D10-L14 WeakPolarHBondContact O-CB 3.3Å; D10-L14 PolarHBondContact O-N 3.01Å
11E96.9Very high93.9Very high12 Ų1255.9 Ų55.96%0.05630%0.295CS..Hα-helixtrans-64.9-43.5176.9-172.6177.1-142.200112S7 I9 L14 L15 Y70 P119 I120 L121S7-E11 WeakPolarHBondContact O-CB 3.37Å; S7-E11 PolarHBondContact O-N 2.9Å; I9-E11 VanDerWaalsContact C-N 3.29Å; I9-E11 PolarHBondContact O-N 2.82Å; E11-L14 PolarHBondContact O-N 3.2Å; E11-L15 WeakPolarHBondContact O-CG 3.33Å; E11-L15 PolarHBondContact O-N 3.43Å; E11-L15 VanDerWaalsContact O-N 3.11Å; E11-Y70 PolarHBondContact OE1-OH 2.98Å; E11-Y70 WeakPolarHBondContact OE2-CE1 3.43Å; E11-Y70 VanDerWaalsContact OE2-CZ 3.27Å; E11-Y70 PolarHBondContact OE2-OH 3.05Å; E11-P119 HydrophobicContact CB-CB 4.27Å; E11-P119 HydrophobicContact CG-CB 4.16Å; E11-P119 VanDerWaalsContact OE1-C 3.25Å; E11-P119 WeakPolarHBondContact OE1-CA 3.32Å; E11-P119 VanDerWaalsContact OE1-CB 3.26Å; E11-P119 WeakPolarHBondContact OE1-CB 3.37Å; E11-I120 PolarHBondContact OE1-N 3.45Å; E11-L121 HydrophobicContact CG-CB 4.21Å; E11-L121 HydrophobicContact CG-CD1 4.02Å; E11-L121 HydrophobicContact CG-CG 4.37Å; E11-L121 VanDerWaalsContact OE1-CB 3.29Å; E11-L121 WeakPolarHBondContact OE1-CB 3.03Å; E11-L121 WeakPolarHBondContact OE1-CG 3.23Å; E11-L121 PolarHBondContact OE1-N 2.83Å
12V96.7Very high94.5Very high0 Ų052.6 Ų52.60%028%0.281CS..Hα-helixtrans-66.7-41.4178.1174.70000111.2K8 I9 L14 L15 L16 L26 Y32 V50 F52 L66K8-V12 VanDerWaalsContact O-CG2 3.31Å; K8-V12 WeakPolarHBondContact O-CG2 3.46Å; K8-V12 PolarHBondContact O-N 2.74Å; K8-V12 VanDerWaalsContact O-N 3.11Å; I9-V12 PolarHBondContact O-N 2.86Å; I9-V12 VanDerWaalsContact O-N 3.1Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 2.86Å; V12-L15 PolarHBondContact O-N 3.37Å; V12-L16 HydrophobicContact CG1-CD1 3.99Å; V12-L16 HydrophobicContact CG1-CG 4.3Å; V12-L16 VanDerWaalsContact O-CG 3.3Å; V12-L16 WeakPolarHBondContact O-CG 3.39Å; V12-L16 PolarHBondContact O-N 2.88Å; V12-L26 HydrophobicContact CG1-CD2 4.2Å; V12-Y32 HydrophobicContact CB-CE2 4.1Å; V12-Y32 HydrophobicContact CG1-CD2 4.27Å; V12-Y32 HydrophobicContact CG1-CE2 3.51Å; V12-V50 HydrophobicContact CG2-CG1 4.27Å; V12-F52 HydrophobicContact CG2-CE1 3.86Å; V12-L66 HydrophobicContact CG2-CD1 3.73Å
13E96.5Very high94.9Very high71 Ų7153.5 Ų53.533%0.33228%0.283SS..Hα-helixtrans-63.6-40.1176.6-71.6-161138.600112.4I9 L15 L16 S17 Y32 K36I9-E13 HydrophobicContact CG2-CG 4.1Å; I9-E13 WeakPolarHBondContact O-CG 3.42Å; I9-E13 PolarHBondContact O-N 2.84Å; E13-L15 VanDerWaalsContact C-N 3.32Å; E13-L15 PolarHBondContact O-N 3.37Å; E13-L16 PolarHBondContact O-N 3.38Å; E13-S17 PolarHBondContact O-N 3.03Å; E13-Y32 VanDerWaalsContact CG-OH 3.27Å; E13-Y32 WeakPolarHBondContact CG-OH 3.41Å; E13-K36 WeakPolarHBondContact OE1-CD 3.18Å; E13-K36 WeakPolarHBondContact OE1-CE 3.23Å; E13-K36 IonicContact OE1-NZ 3.97Å; E13-K36 PolarHBondContact OE1-NZ 2.96Å
14L97.2Very high95.2Very high84 Ų8448.5 Ų48.544%0.4426%0.256SS..Hα-helixtrans-57.5-48.1172.8177.160000110.5D10 E11 V12 L16 S17 M18 V122D10-L14 WeakPolarHBondContact O-CB 3.3Å; D10-L14 PolarHBondContact O-N 3.01Å; E11-L14 PolarHBondContact O-N 3.2Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 2.86Å; L14-L16 PolarHBondContact O-N 2.89Å; L14-S17 WeakPolarHBondContact O-CB 3.02Å; L14-S17 PolarHBondContact O-N 2.94Å; L14-S17 VanDerWaalsContact O-N 3.09Å; L14-S17 PolarHBondContact O-OG 3.04Å; L14-M18 HydrophobicContact CD1-CG 4.31Å; L14-M18 HydrophobicContact CD1-SD 4.21Å; L14-M18 HydrophobicContact CG-SD 3.97Å; L14-M18 VanDerWaalsContact O-CG 3.29Å; L14-M18 WeakPolarHBondContact O-CG 3.39Å; L14-M18 PolarHBondContact O-N 3.42Å; L14-V122 HydrophobicContact CD2-CG2 3.69Å; L14-V122 HydrophobicContact CG-CG2 4.42Å
15L97.1Very high95.4Very high0 Ų053.5 Ų53.50%028%0.276CS..Hα-helixtrans-63.1-42.9177.6-65176.6000112.5E11 V12 E13 S17 M18 F19 I24 F52 I54 L121 V122 I125E11-L15 WeakPolarHBondContact O-CG 3.33Å; E11-L15 PolarHBondContact O-N 3.43Å; E11-L15 VanDerWaalsContact O-N 3.11Å; V12-L15 PolarHBondContact O-N 3.37Å; E13-L15 VanDerWaalsContact C-N 3.32Å; E13-L15 PolarHBondContact O-N 3.37Å; L15-S17 PolarHBondContact O-N 2.85Å; L15-M18 HydrophobicContact CD2-SD 4.21Å; L15-M18 PolarHBondContact O-N 3.31Å; L15-F19 HydrophobicContact CD2-CE2 4.28Å; L15-F19 WeakPolarHBondContact O-CD2 3.38Å; L15-F19 PolarHBondContact O-N 3.32Å; L15-F19 VanDerWaalsContact O-N 3.14Å; L15-I24 HydrophobicContact CB-CD1 3.87Å; L15-F52 HydrophobicContact CD1-CE2 4.12Å; L15-F52 HydrophobicContact CD1-CZ 4.12Å; L15-I54 HydrophobicContact CD1-CD1 4.12Å; L15-L121 HydrophobicContact CD1-CB 3.79Å; L15-L121 HydrophobicContact CD1-CD1 3.6Å; L15-L121 HydrophobicContact CD1-CG 4.39Å; L15-V122 HydrophobicContact CD2-CG2 4.16Å; L15-I125 HydrophobicContact CD1-CD1 4.4Å; L15-I125 HydrophobicContact CD2-CD1 3.34Å; L15-I125 HydrophobicContact CG-CD1 4.48Å
16L96Very high95.5Very high59 Ų5955 Ų5531%0.30928%0.284SS..Hα-helixtrans-61.3-26.1174.8-69.6171.1000112.5V12 E13 L14 I24 L26 Y32V12-L16 HydrophobicContact CG1-CD1 3.99Å; V12-L16 HydrophobicContact CG1-CG 4.3Å; V12-L16 VanDerWaalsContact O-CG 3.3Å; V12-L16 WeakPolarHBondContact O-CG 3.39Å; V12-L16 PolarHBondContact O-N 2.88Å; E13-L16 PolarHBondContact O-N 3.38Å; L14-L16 PolarHBondContact O-N 2.89Å; L16-I24 HydrophobicContact CD2-CD1 3.98Å; L16-I24 HydrophobicContact CD2-CG1 4.09Å; L16-I24 HydrophobicContact CD2-CG2 3.96Å; L16-I24 HydrophobicContact CG-CD1 4.43Å; L16-L26 HydrophobicContact CD1-CD1 4.47Å; L16-L26 HydrophobicContact CD2-CG 4.37Å; L16-Y32 HydrophobicContact CD1-CE1 4.18Å
17S96.1Very high95.3Very high92 Ų9254.2 Ų54.264%0.64330%0.295SS*.Hα-helixtrans-83.6-25.7173.7810000113.8E13 L14 L15E13-S17 PolarHBondContact O-N 3.03Å; L14-S17 WeakPolarHBondContact O-CB 3.02Å; L14-S17 PolarHBondContact O-N 2.94Å; L14-S17 VanDerWaalsContact O-N 3.09Å; L14-S17 PolarHBondContact O-OG 3.04Å; L15-S17 PolarHBondContact O-N 2.85Å
18M95.8Very high95.2Very high92 Ų9256.8 Ų56.845%0.45331%0.307SS..Hα-helixtrans-81.1-26.2-179-72.917467.300113L14 L15 V122L14-M18 HydrophobicContact CD1-CG 4.31Å; L14-M18 HydrophobicContact CD1-SD 4.21Å; L14-M18 HydrophobicContact CG-SD 3.97Å; L14-M18 VanDerWaalsContact O-CG 3.29Å; L14-M18 WeakPolarHBondContact O-CG 3.39Å; L14-M18 PolarHBondContact O-N 3.42Å; L15-M18 HydrophobicContact CD2-SD 4.21Å; L15-M18 PolarHBondContact O-N 3.31Å; M18-V122 HydrophobicContact SD-CG2 4.45Å
19F94.9Very high95.1Very high20 Ų2063.4 Ų63.49%0.08834%0.336CS..SBendtrans-120.9147.3-173-69.1-78.4000111.7L15 E23 I24 I54 L56 I125L15-F19 HydrophobicContact CD2-CE2 4.28Å; L15-F19 WeakPolarHBondContact O-CD2 3.38Å; L15-F19 PolarHBondContact O-N 3.32Å; L15-F19 VanDerWaalsContact O-N 3.14Å; F19-E23 HydrophobicContact CB-CB 4.01Å; F19-E23 HydrophobicContact CD1-CB 3.99Å; F19-E23 HydrophobicContact CG-CB 4.44Å; F19-I24 HydrophobicContact CB-CB 3.84Å; F19-I24 HydrophobicContact CB-CG2 3.54Å; F19-I54 HydrophobicContact CD1-CG2 4.18Å; F19-I54 HydrophobicContact CD2-CG2 4.27Å; F19-I54 HydrophobicContact CE1-CG2 4.04Å; F19-I54 HydrophobicContact CE2-CG2 4.16Å; F19-I54 HydrophobicContact CG-CG2 4.3Å; F19-I54 HydrophobicContact CZ-CG2 4.03Å; F19-L56 HydrophobicContact CE1-CD2 3.66Å; F19-L56 HydrophobicContact CZ-CD2 3.65Å; F19-I125 HydrophobicContact CE2-CD1 3.76Å; F19-I125 HydrophobicContact CE2-CG2 4.22Å; F19-I125 HydrophobicContact CZ-CD1 4.13Å; F19-I125 HydrophobicContact CZ-CG2 3.68Å
20S94.1Very high95Very high49 Ų4970.8 Ų70.834%0.34337%0.37SS..  trans-74163173.557.40000112.1D22 E23 I24S20-D22 WeakPolarHBondContact CB-OD1 3Å; S20-D22 PolarHBondContact O-N 3.12Å; S20-D22 VanDerWaalsContact O-N 3.09Å; S20-D22 PolarHBondContact OG-OD1 3.02Å; S20-E23 PolarHBondContact N-OE2 2.84Å; S20-E23 WeakPolarHBondContact O-CA 3.36Å; S20-E23 PolarHBondContact O-N 2.73Å; S20-E23 WeakPolarHBondContact OG-CG 3.28Å; S20-E23 PolarHBondContact OG-OE2 2.75Å; S20-I24 PolarHBondContact O-N 3.29Å
21E91.1Very high94.8Very high177 Ų17767.2 Ų67.283%0.82735%0.353SS*.THydrogen-bonded Turntrans-61.2-19.7-179.7-62.2-171.3159.100114.2
22D91.6Very high94.7Very high90 Ų9067.2 Ų67.248%0.48135%0.353SS..THydrogen-bonded Turntrans-83.1-23.5172.665.4-65.9000113.3S20S20-D22 WeakPolarHBondContact CB-OD1 3Å; S20-D22 PolarHBondContact O-N 3.12Å; S20-D22 VanDerWaalsContact O-N 3.09Å; S20-D22 PolarHBondContact OG-OD1 3.02Å
23E94.5Very high94.6Very high54 Ų5471.5 Ų71.525%0.25238%0.375SS..THydrogen-bonded Turntrans-89.4-40.1179.8-69.8-176.6136.700112.3F19 S20 I54 K55F19-E23 HydrophobicContact CB-CB 4.01Å; F19-E23 HydrophobicContact CD1-CB 3.99Å; F19-E23 HydrophobicContact CG-CB 4.44Å; S20-E23 PolarHBondContact N-OE2 2.84Å; S20-E23 WeakPolarHBondContact O-CA 3.36Å; S20-E23 PolarHBondContact O-N 2.73Å; S20-E23 WeakPolarHBondContact OG-CG 3.28Å; S20-E23 PolarHBondContact OG-OE2 2.75Å; E23-I54 CarbonylContact O-C 3.49Å; E23-I54 WeakPolarHBondContact O-CA 3.31Å; E23-K55 PolarHBondContact O-N 3.37Å
24I96.6Very high94.5Very high8 Ų871.5 Ų71.54%0.04138%0.377CS..EExtended strand (participates in β ladder)trans-118.3133.3178.3-173.2163.9000112.2L15 L16 F19 S20 F52 V53 I54L15-I24 HydrophobicContact CB-CD1 3.87Å; L16-I24 HydrophobicContact CD2-CD1 3.98Å; L16-I24 HydrophobicContact CD2-CG1 4.09Å; L16-I24 HydrophobicContact CD2-CG2 3.96Å; L16-I24 HydrophobicContact CG-CD1 4.43Å; F19-I24 HydrophobicContact CB-CB 3.84Å; F19-I24 HydrophobicContact CB-CG2 3.54Å; S20-I24 PolarHBondContact O-N 3.29Å; I24-F52 HydrophobicContact CD1-CD2 4.23Å; I24-F52 HydrophobicContact CG1-CD2 4.5Å; I24-V53 CarbonylContact C-O 3.52Å; I24-V53 VanDerWaalsContact CA-O 3.31Å; I24-V53 WeakPolarHBondContact CA-O 3.15Å; I24-I54 HydrophobicContact CB-CG1 4.38Å; I24-I54 HydrophobicContact CD1-CD1 3.92Å; I24-I54 HydrophobicContact CD1-CG1 3.82Å; I24-I54 HydrophobicContact CG1-CG1 3.9Å
25K95.9Very high94.3Very high117 Ų11767.5 Ų67.551%0.50936%0.357SS..EExtended strand (participates in β ladder)trans-137121.1179.2-63.1-172.6-179.1-169.80111.4F52 V53K25-F52 CarbonylContact O-C 3.33Å; K25-F52 WeakPolarHBondContact O-CA 3.48Å; K25-F52 VanDerWaalsContact O-CB 3.27Å; K25-F52 WeakPolarHBondContact O-CB 3.33Å; K25-V53 PolarHBondContact N-O 2.98Å; K25-V53 PolarHBondContact O-N 3.46Å
26L95.8Very high94.2Very high36 Ų3670 Ų7019%0.18837%0.368CS..EExtended strand (participates in β ladder)trans-64.1140.2169.2-63.9169.6000110V12 L16 K29 Y32 F52V12-L26 HydrophobicContact CG1-CD2 4.2Å; L16-L26 HydrophobicContact CD1-CD1 4.47Å; L16-L26 HydrophobicContact CD2-CG 4.37Å; L26-K29 HydrophobicContact CD1-CG 4.27Å; L26-Y32 HydrophobicContact CD1-CD1 3.42Å; L26-Y32 VanDerWaalsContact CD1-CD1 3.42Å; L26-Y32 HydrophobicContact CD1-CE1 3.97Å; L26-Y32 HydrophobicContact CD1-CG 3.82Å; L26-Y32 HydrophobicContact CD2-CD1 4.38Å; L26-Y32 HydrophobicContact CD2-CD2 4.22Å; L26-Y32 HydrophobicContact CD2-CG 4.07Å; L26-F52 HydrophobicContact CD2-CB 4.15Å
27G92.2Very high94.1Very high51 Ų5175.1 Ų75.153%0.52638%0.382SS..SBendtrans-69.6-61.8175.700000111.5D51G27-D51 WeakPolarHBondContact CA-OD2 3.38Å; G27-D51 PolarHBondContact N-O 3.28Å
28D92.8Very high94Very high76 Ų7672.9 Ų72.941%0.40636%0.362SS..  trans-114.498.7171.2-174.5-14.6000110.8E30 S31 Y32D28-E30 VanDerWaalsContact C-N 3.32Å; D28-E30 PolarHBondContact O-N 3.06Å; D28-E30 PolarHBondContact OD1-N 2.96Å; D28-S31 PolarHBondContact O-N 2.72Å; D28-S31 PolarHBondContact OD1-N 3.15Å; D28-S31 VanDerWaalsContact OD2-CB 3.28Å; D28-S31 WeakPolarHBondContact OD2-CB 3.25Å; D28-Y32 WeakPolarHBondContact O-CB 3.34Å; D28-Y32 PolarHBondContact O-N 3.31Å
29K93.3Very high93.9Very high139 Ų13968.8 Ų68.860%0.60434%0.342SS*.Hα-helixtrans-63.8-35179.8-173174-178.3174.40112.4L26 L33L26-K29 HydrophobicContact CD1-CG 4.27Å; K29-L33 HydrophobicContact CG-CD1 4.26Å; K29-L33 WeakPolarHBondContact O-CB 3.38Å; K29-L33 VanDerWaalsContact O-CG 3.23Å; K29-L33 WeakPolarHBondContact O-CG 3.33Å; K29-L33 PolarHBondContact O-N 2.97Å
30E93.3Very high93.8Very high162 Ų16273.8 Ų73.876%0.75737%0.366SS*.Hα-helixtrans-71.6-43.9-179.8-67-174.6176.700110.7D28 L33 N34D28-E30 VanDerWaalsContact C-N 3.32Å; D28-E30 PolarHBondContact O-N 3.06Å; D28-E30 PolarHBondContact OD1-N 2.96Å; E30-L33 PolarHBondContact O-N 2.78Å; E30-N34 WeakPolarHBondContact O-CB 3.31Å; E30-N34 PolarHBondContact O-N 3.28Å
31S92.2Very high93.8Very high23 Ų2376.6 Ų76.616%0.16138%0.377CS..Hα-helixtrans-61.3-44.6174.8-174.90000111.4D28 L33 N34 V35D28-S31 PolarHBondContact O-N 2.72Å; D28-S31 PolarHBondContact OD1-N 3.15Å; D28-S31 VanDerWaalsContact OD2-CB 3.28Å; D28-S31 WeakPolarHBondContact OD2-CB 3.25Å; S31-L33 PolarHBondContact O-N 2.85Å; S31-N34 WeakPolarHBondContact O-CB 3.06Å; S31-N34 PolarHBondContact O-N 3.22Å; S31-V35 WeakPolarHBondContact O-CG2 3.39Å; S31-V35 PolarHBondContact O-N 3.43Å
32Y94.8Very high93.9Very high12 Ų1272.4 Ų72.45%0.04736%0.36CS..Hα-helixtrans-57.8-48.5174.4170.2-103.6000112.4I9 V12 E13 L16 L26 D28 N34 V35 K36 V50I9-Y32 HydrophobicContact CD1-CD2 4.23Å; I9-Y32 HydrophobicContact CD1-CE2 3.7Å; V12-Y32 HydrophobicContact CB-CE2 4.1Å; V12-Y32 HydrophobicContact CG1-CD2 4.27Å; V12-Y32 HydrophobicContact CG1-CE2 3.51Å; E13-Y32 VanDerWaalsContact CG-OH 3.27Å; E13-Y32 WeakPolarHBondContact CG-OH 3.41Å; L16-Y32 HydrophobicContact CD1-CE1 4.18Å; L26-Y32 HydrophobicContact CD1-CD1 3.42Å; L26-Y32 VanDerWaalsContact CD1-CD1 3.42Å; L26-Y32 HydrophobicContact CD1-CE1 3.97Å; L26-Y32 HydrophobicContact CD1-CG 3.82Å; L26-Y32 HydrophobicContact CD2-CD1 4.38Å; L26-Y32 HydrophobicContact CD2-CD2 4.22Å; L26-Y32 HydrophobicContact CD2-CG 4.07Å; D28-Y32 WeakPolarHBondContact O-CB 3.34Å; D28-Y32 PolarHBondContact O-N 3.31Å; Y32-N34 VanDerWaalsContact C-N 3.27Å; Y32-N34 PolarHBondContact O-N 3.43Å; Y32-V35 PolarHBondContact O-N 3.36Å; Y32-V35 VanDerWaalsContact O-N 3.15Å; Y32-K36 WeakPolarHBondContact O-CB 3.48Å; Y32-K36 PolarHBondContact O-N 3.19Å; Y32-V50 HydrophobicContact CD2-CG1 3.85Å; Y32-V50 HydrophobicContact CD2-CG2 4.28Å
33L94.9Very high93.9Very high89 Ų8971.6 Ų71.647%0.46636%0.358SS..Hα-helixtrans-62.1-36.3178.6-72.5172.5000112K29 E30 S31 R37K29-L33 HydrophobicContact CG-CD1 4.26Å; K29-L33 WeakPolarHBondContact O-CB 3.38Å; K29-L33 VanDerWaalsContact O-CG 3.23Å; K29-L33 WeakPolarHBondContact O-CG 3.33Å; K29-L33 PolarHBondContact O-N 2.97Å; E30-L33 PolarHBondContact O-N 2.78Å; S31-L33 PolarHBondContact O-N 2.85Å; L33-R37 WeakPolarHBondContact O-CB 3.46Å; L33-R37 PolarHBondContact O-N 2.87Å
34N93.8Very high93.6Very high72 Ų7272.5 Ų72.539%0.38536%0.364SS..Hα-helixtrans-63.1-46.9173.4-177.363.3000111.4E30 S31 Y32 R37 H38E30-N34 WeakPolarHBondContact O-CB 3.31Å; E30-N34 PolarHBondContact O-N 3.28Å; S31-N34 WeakPolarHBondContact O-CB 3.06Å; S31-N34 PolarHBondContact O-N 3.22Å; Y32-N34 VanDerWaalsContact C-N 3.27Å; Y32-N34 PolarHBondContact O-N 3.43Å; N34-R37 PolarHBondContact O-N 3.32Å; N34-H38 PolarHBondContact O-N 2.98Å; N34-H38 PolarHBondContact O-ND1 2.99Å; N34-H38 PolarHBondContact OD1-CE1 3.37Å; N34-H38 PolarHBondContact OD1-ND1 3.49Å
35V93.8Very high93.2Very high0 Ų072.9 Ų72.90%037%0.367CS..Hα-helixtrans-62.5-45178.5177.60000111.2L5 I9 S31 Y32 R37 H38 A39 P45 K47 V50L5-V35 HydrophobicContact CD1-CG1 3.5Å; L5-V35 VanDerWaalsContact CD1-CG1 3.5Å; L5-V35 HydrophobicContact CG-CG1 4.25Å; I9-V35 HydrophobicContact CD1-CG1 4.03Å; S31-V35 WeakPolarHBondContact O-CG2 3.39Å; S31-V35 PolarHBondContact O-N 3.43Å; Y32-V35 PolarHBondContact O-N 3.36Å; Y32-V35 VanDerWaalsContact O-N 3.15Å; V35-R37 PolarHBondContact O-N 3.14Å; V35-H38 PolarHBondContact O-N 3.15Å; V35-A39 PolarHBondContact O-N 3.37Å; V35-P45 HydrophobicContact CG2-CG 4.25Å; V35-K47 WeakPolarHBondContact CG2-O 3.4Å; V35-V50 HydrophobicContact CG1-CG2 4.38Å
36K95.1Very high92.7Very high53 Ų5377.1 Ų77.123%0.2339%0.389CS..Hα-helixtrans-56-50.6174.9174.9174.1171.4175.50111.8I9 E13 Y32 H38 A39 E40I9-K36 HydrophobicContact CD1-CB 4.02Å; I9-K36 HydrophobicContact CG2-CB 4.41Å; I9-K36 HydrophobicContact CG2-CG 4.09Å; E13-K36 WeakPolarHBondContact OE1-CD 3.18Å; E13-K36 WeakPolarHBondContact OE1-CE 3.23Å; E13-K36 IonicContact OE1-NZ 3.97Å; E13-K36 PolarHBondContact OE1-NZ 2.96Å; Y32-K36 WeakPolarHBondContact O-CB 3.48Å; Y32-K36 PolarHBondContact O-N 3.19Å; K36-H38 VanDerWaalsContact C-N 3.26Å; K36-H38 PolarHBondContact O-N 3.4Å; K36-A39 WeakPolarHBondContact O-CB 3.46Å; K36-A39 PolarHBondContact O-N 3.08Å; K36-A39 VanDerWaalsContact O-N 3.13Å; K36-E40 WeakPolarHBondContact CE-OE1 3.37Å; K36-E40 IonicContact NZ-OE1 3.59Å; K36-E40 WeakPolarHBondContact O-CG 3.43Å; K36-E40 PolarHBondContact O-N 2.8Å
37R94.7Very high92.2Very high165 Ų16580.6 Ų80.662%0.62340%0.402SS*.Hα-helixtrans-58.6-39178.4-177.7179.9178.9171.71112.3L33 N34 V35 E40 L41L33-R37 WeakPolarHBondContact O-CB 3.46Å; L33-R37 PolarHBondContact O-N 2.87Å; N34-R37 PolarHBondContact O-N 3.32Å; V35-R37 PolarHBondContact O-N 3.14Å; R37-E40 PolarHBondContact O-N 3.39Å; R37-L41 HydrophobicContact CG-CD1 4.13Å; R37-L41 VanDerWaalsContact O-CG 3.29Å; R37-L41 WeakPolarHBondContact O-CG 3.16Å; R37-L41 PolarHBondContact O-N 3.04Å; R37-L41 VanDerWaalsContact O-N 3.15Å
38H93.9Very high92.1Very high46 Ų4678.9 Ų78.921%0.21338%0.382CS..Hα-helixtrans-68.1-39.1177.7-79.678.3000112N34 V35 K36 E40 L41 D42 V43 P45N34-H38 PolarHBondContact O-N 2.98Å; N34-H38 PolarHBondContact O-ND1 2.99Å; N34-H38 PolarHBondContact OD1-CE1 3.37Å; N34-H38 PolarHBondContact OD1-ND1 3.49Å; V35-H38 PolarHBondContact O-N 3.15Å; K36-H38 VanDerWaalsContact C-N 3.26Å; K36-H38 PolarHBondContact O-N 3.4Å; H38-E40 PolarHBondContact O-N 3.28Å; H38-L41 CarbonylContact O-C 3.55Å; H38-L41 PolarHBondContact O-N 3.41Å; H38-D42 PolarHBondContact O-N 3.22Å; H38-D42 VanDerWaalsContact O-N 3.12Å; H38-V43 CarbonylContact C-O 3.56Å; H38-V43 WeakPolarHBondContact CB-O 3.19Å; H38-V43 PolarHBondContact O-N 3.31Å; H38-P45 HydrophobicContact CB-CB 4.24Å; H38-P45 HydrophobicContact CB-CG 3.8Å
39A93.2Very high92.1Very high5 Ų577.7 Ų77.74%0.04138%0.376CS..Hα-helixtrans-61.3-41.8173.800000112.4L5 K6 I9 V35 K36 L41 D42L5-A39 HydrophobicContact CD2-CB 4Å; L5-A39 HydrophobicContact CG-CB 3.98Å; K6-A39 WeakPolarHBondContact CE-O 3.39Å; K6-A39 HydrophobicContact CG-CB 4.24Å; I9-A39 HydrophobicContact CG1-CB 4.01Å; V35-A39 PolarHBondContact O-N 3.37Å; K36-A39 WeakPolarHBondContact O-CB 3.46Å; K36-A39 PolarHBondContact O-N 3.08Å; K36-A39 VanDerWaalsContact O-N 3.13Å; A39-L41 VanDerWaalsContact C-N 3.28Å; A39-L41 PolarHBondContact O-N 3.1Å; A39-D42 PolarHBondContact O-N 2.98Å
40E93.3Very high92.2Very high125 Ų12571.3 Ų71.358%0.58435%0.348SS*.Hα-helixtrans-63.8-31.9175.4-69.2170.5175.400112.8K36 R37 H38K36-E40 WeakPolarHBondContact CE-OE1 3.37Å; K36-E40 IonicContact NZ-OE1 3.59Å; K36-E40 WeakPolarHBondContact O-CG 3.43Å; K36-E40 PolarHBondContact O-N 2.8Å; R37-E40 PolarHBondContact O-N 3.39Å; H38-E40 PolarHBondContact O-N 3.28Å
41L94Very high92.3Very high108 Ų10866.8 Ų66.857%0.56533%0.329SS*.THydrogen-bonded Turntrans-89.81.8179.2-67175000113.7R37 H38 A39 V43R37-L41 HydrophobicContact CG-CD1 4.13Å; R37-L41 VanDerWaalsContact O-CG 3.29Å; R37-L41 WeakPolarHBondContact O-CG 3.16Å; R37-L41 PolarHBondContact O-N 3.04Å; R37-L41 VanDerWaalsContact O-N 3.15Å; H38-L41 CarbonylContact O-C 3.55Å; H38-L41 PolarHBondContact O-N 3.41Å; A39-L41 VanDerWaalsContact C-N 3.28Å; A39-L41 PolarHBondContact O-N 3.1Å; L41-V43 HydrophobicContact CB-CG2 4.33Å; L41-V43 PolarHBondContact O-N 2.88Å
42D91.9Very high92.5Very high89 Ų8965.8 Ų65.848%0.47632%0.322SS..THydrogen-bonded Turntrans58.531.9-174.9-77.2-60.5000114V2 K6 H38 A39V2-D42 HydrophobicContact CG1-CB 4.27Å; V2-D42 WeakPolarHBondContact CG1-OD1 3.33Å; K6-D42 WeakPolarHBondContact CE-OD1 3.38Å; K6-D42 IonicContact NZ-OD1 2.6Å; K6-D42 PolarHBondContact NZ-OD1 3.47Å; K6-D42 IonicContact NZ-OD2 3.1Å; K6-D42 PolarHBondContact NZ-OD2 3.32Å; K6-D42 VanDerWaalsContact NZ-OD2 3.1Å; H38-D42 PolarHBondContact O-N 3.22Å; H38-D42 VanDerWaalsContact O-N 3.12Å; A39-D42 PolarHBondContact O-N 2.98Å
43V91.5Very high92.6Very high73 Ų7367.2 Ų67.244%0.44233%0.332SS..  trans-116.3148.2178.6-178.20000110.1H38 L41H38-V43 CarbonylContact C-O 3.56Å; H38-V43 WeakPolarHBondContact CB-O 3.19Å; H38-V43 PolarHBondContact O-N 3.31Å; L41-V43 HydrophobicContact CB-CG2 4.33Å; L41-V43 PolarHBondContact O-N 2.88Å
44L88.3Confident92.6Very high74 Ų7463 Ų6339%0.38731%0.31SS..  trans-94122.9173.5-67.2165000110M1 V2 L5M1-L44 HydrophobicContact CB-CD1 4.1Å; M1-L44 HydrophobicContact CB-CD2 4.27Å; M1-L44 HydrophobicContact CG-CD1 3.92Å; M1-L44 HydrophobicContact CG-CD2 3.74Å; M1-L44 HydrophobicContact CG-CG 4.5Å; M1-L44 HydrophobicContact SD-CD1 3.39Å; M1-L44 WeakPolarHBondContact SD-CD1 3.38Å; M1-L44 HydrophobicContact SD-CD2 4.02Å; M1-L44 HydrophobicContact SD-CG 4.31Å; V2-L44 HydrophobicContact CG2-CD1 4.42Å; V2-L44 HydrophobicContact CG2-CD2 4.15Å; V2-L44 HydrophobicContact CG2-CG 3.99Å; L5-L44 HydrophobicContact CD2-CD2 4.25Å
45P88.2Confident92.6Very high15 Ų1562.9 Ų62.910%0.09731%0.306CS..  trans-75.2164.6170.625.4-20.4000110.9V35 H38 K47 T48V35-P45 HydrophobicContact CG2-CG 4.25Å; H38-P45 HydrophobicContact CB-CB 4.24Å; H38-P45 HydrophobicContact CB-CG 3.8Å; P45-K47 WeakPolarHBondContact CG-O 3.23Å; P45-K47 PolarHBondContact O-N 3.22Å; P45-T48 HydrophobicContact CG-CG2 3.99Å
46E85.1Confident92.5Very high207 Ų20762.9 Ų62.997%0.96731%0.306SS*.SBendtrans-61.4-30.8177-66.5-175.4168.600113.2
47K86.4Confident91.9Very high108 Ų10864.7 Ų64.747%0.4731%0.314SS..  trans-128.7127.4177.6-177.3179.8175.8-170.80109V35 P45 D49V35-K47 WeakPolarHBondContact CG2-O 3.4Å; P45-K47 WeakPolarHBondContact CG-O 3.23Å; P45-K47 PolarHBondContact O-N 3.22Å; K47-D49 HydrophobicContact CG-CB 4.34Å
48T89.4Confident91.3Very high15 Ų1562.6 Ų62.69%0.09231%0.309CS..  trans-118.53.5179.781.20000113.1L5 K8 P45 V50 D68L5-T48 HydrophobicContact CD1-CG2 4.06Å; K8-T48 PolarHBondContact NZ-O 3.46Å; P45-T48 HydrophobicContact CG-CG2 3.99Å; T48-V50 PolarHBondContact O-N 2.9Å; T48-D68 VanDerWaalsContact C-OD1 3.3Å; T48-D68 WeakPolarHBondContact CA-OD1 3.5Å; T48-D68 VanDerWaalsContact CB-OD1 3.27Å; T48-D68 WeakPolarHBondContact CB-OD1 3.46Å; T48-D68 PolarHBondContact N-OD1 2.76Å; T48-D68 WeakPolarHBondContact OG1-CA 3.27Å; T48-D68 PolarHBondContact OG1-OD1 3.09Å
49D92.5Very high90.8Very high52 Ų5262.2 Ų62.228%0.27831%0.307SS..  trans-59.6135.6174.6-62.8-27.6000110.8K47 L66 P67 D68K47-D49 HydrophobicContact CG-CB 4.34Å; D49-L66 WeakPolarHBondContact CA-O 3.45Å; D49-P67 VanDerWaalsContact OD1-CA 3.24Å; D49-P67 WeakPolarHBondContact OD1-CA 3.48Å; D49-D68 PolarHBondContact N-OD1 3.48Å; D49-D68 VanDerWaalsContact N-OD1 3.14Å; D49-D68 PolarHBondContact OD1-N 2.84Å
50V95.5Very high90.7Very high4 Ų462 Ų622%0.02431%0.305CS..EExtended strand (participates in β ladder)trans-130.2127.9174.1177.50000108.2K8 V12 Y32 V35 T48 F52 L66K8-V50 HydrophobicContact CD-CB 4.43Å; K8-V50 HydrophobicContact CD-CG2 4.03Å; V12-V50 HydrophobicContact CG2-CG1 4.27Å; Y32-V50 HydrophobicContact CD2-CG1 3.85Å; Y32-V50 HydrophobicContact CD2-CG2 4.28Å; V35-V50 HydrophobicContact CG1-CG2 4.38Å; T48-V50 PolarHBondContact O-N 2.9Å; V50-F52 HydrophobicContact CG1-CD1 4.15Å; V50-F52 HydrophobicContact CG1-CE1 4.46Å; V50-L66 HydrophobicContact CB-CB 4.43Å; V50-L66 PolarHBondContact N-O 3.46Å; V50-L66 VanDerWaalsContact N-O 3.15Å; V50-L66 WeakPolarHBondContact O-CB 3.24Å; V50-L66 PolarHBondContact O-N 2.76Å
51D95.7Very high90.6Very high67 Ų6757.7 Ų57.736%0.35829%0.285SS..EExtended strand (participates in β ladder)trans-124.7146.9175.969.1-63.5000112G27 V64 V65G27-D51 WeakPolarHBondContact CA-OD2 3.38Å; G27-D51 PolarHBondContact N-O 3.28Å; D51-V64 WeakPolarHBondContact CA-O 3.26Å; D51-V64 WeakPolarHBondContact CB-O 3.36Å; D51-V65 HydrophobicContact CB-CB 4.46Å; D51-V65 HydrophobicContact CB-CG2 3.98Å
52F96.8Very high90.7Very high2 Ų252.6 Ų52.61%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-160.2166.7178.553.4-90000111.1V12 L15 I24 K25 L26 V50 I54 V64 L66 L121V12-F52 HydrophobicContact CG2-CE1 3.86Å; L15-F52 HydrophobicContact CD1-CE2 4.12Å; L15-F52 HydrophobicContact CD1-CZ 4.12Å; I24-F52 HydrophobicContact CD1-CD2 4.23Å; I24-F52 HydrophobicContact CG1-CD2 4.5Å; K25-F52 CarbonylContact O-C 3.33Å; K25-F52 WeakPolarHBondContact O-CA 3.48Å; K25-F52 VanDerWaalsContact O-CB 3.27Å; K25-F52 WeakPolarHBondContact O-CB 3.33Å; L26-F52 HydrophobicContact CD2-CB 4.15Å; V50-F52 HydrophobicContact CG1-CD1 4.15Å; V50-F52 HydrophobicContact CG1-CE1 4.46Å; F52-I54 HydrophobicContact CD2-CD1 4.01Å; F52-I54 HydrophobicContact CD2-CG1 3.82Å; F52-I54 HydrophobicContact CE2-CD1 3.68Å; F52-I54 HydrophobicContact CE2-CG1 4.01Å; F52-V64 HydrophobicContact CD2-CB 4.1Å; F52-V64 HydrophobicContact CD2-CG2 4.4Å; F52-V64 HydrophobicContact CE1-CB 4.27Å; F52-V64 HydrophobicContact CE1-CG1 4.07Å; F52-V64 HydrophobicContact CE2-CB 3.6Å; F52-V64 HydrophobicContact CE2-CG1 3.98Å; F52-V64 HydrophobicContact CE2-CG2 3.77Å; F52-V64 HydrophobicContact CZ-CB 3.69Å; F52-V64 HydrophobicContact CZ-CG1 3.54Å; F52-V64 HydrophobicContact CZ-CG2 4.21Å; F52-V64 PolarHBondContact N-O 2.75Å; F52-V64 PolarHBondContact O-N 3.24Å; F52-L66 HydrophobicContact CE1-CD1 3.86Å; F52-L66 HydrophobicContact CE1-CG 4.07Å; F52-L66 HydrophobicContact CZ-CD1 4.38Å; F52-L121 HydrophobicContact CE1-CD1 4.46Å; F52-L121 HydrophobicContact CE2-CD1 4.48Å; F52-L121 HydrophobicContact CZ-CD1 3.62Å
53V96.2Very high90.8Very high42 Ų4249.4 Ų49.426%0.25524%0.243SC..EExtended strand (participates in β ladder)trans-121.6136.1178.1178.10000109.4I24 K25 E61 L62I24-V53 CarbonylContact C-O 3.52Å; I24-V53 VanDerWaalsContact CA-O 3.31Å; I24-V53 WeakPolarHBondContact CA-O 3.15Å; K25-V53 PolarHBondContact N-O 2.98Å; K25-V53 PolarHBondContact O-N 3.46Å; V53-E61 VanDerWaalsContact CG1-CD 3.43Å; V53-E61 HydrophobicContact CG1-CG 3.26Å; V53-L62 CarbonylContact C-O 3.6Å; V53-L62 WeakPolarHBondContact CA-O 3.2Å
54I96.3Very high91Very high1 Ų146.1 Ų46.11%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-122.6129175.6-54.4-179.5000109.6L15 F19 E23 I24 F52 L56 E61 L62 I125L15-I54 HydrophobicContact CD1-CD1 4.12Å; F19-I54 HydrophobicContact CD1-CG2 4.18Å; F19-I54 HydrophobicContact CD2-CG2 4.27Å; F19-I54 HydrophobicContact CE1-CG2 4.04Å; F19-I54 HydrophobicContact CE2-CG2 4.16Å; F19-I54 HydrophobicContact CG-CG2 4.3Å; F19-I54 HydrophobicContact CZ-CG2 4.03Å; E23-I54 CarbonylContact O-C 3.49Å; E23-I54 WeakPolarHBondContact O-CA 3.31Å; I24-I54 HydrophobicContact CB-CG1 4.38Å; I24-I54 HydrophobicContact CD1-CD1 3.92Å; I24-I54 HydrophobicContact CD1-CG1 3.82Å; I24-I54 HydrophobicContact CG1-CG1 3.9Å; F52-I54 HydrophobicContact CD2-CD1 4.01Å; F52-I54 HydrophobicContact CD2-CG1 3.82Å; F52-I54 HydrophobicContact CE2-CD1 3.68Å; F52-I54 HydrophobicContact CE2-CG1 4.01Å; I54-L56 HydrophobicContact CG2-CD2 3.61Å; I54-L56 HydrophobicContact CG2-CG 4.26Å; I54-E61 CarbonylContact O-C 2.91Å; I54-E61 WeakPolarHBondContact O-CA 3.38Å; I54-L62 HydrophobicContact CB-CB 4.42Å; I54-L62 PolarHBondContact N-O 3.45Å; I54-L62 PolarHBondContact O-N 3.21Å; I54-I125 HydrophobicContact CD1-CD1 3.65Å
55K93.5Very high91.3Very high70 Ų7045.2 Ų45.230%0.30422%0.22SC..EExtended strand (participates in β ladder)trans-101.3110.5174.6-60.8-177.5-179.7-178.30109.4E23 V60 L88E23-K55 PolarHBondContact O-N 3.37Å; K55-V60 CarbonylContact C-O 3.41Å; K55-V60 WeakPolarHBondContact CA-O 3.33Å; K55-L88 HydrophobicContact CB-CD1 4.03Å; K55-L88 HydrophobicContact CD-CD1 4.16Å; K55-L88 HydrophobicContact CG-CD1 4.02Å
56L90.7Very high91.7Very high0 Ų044.5 Ų44.50%022%0.216CC..EExtended strand (participates in β ladder)trans-92.2117.7-178.8-60.2-178.6000110.7F19 I54 K58 K59 V60 L62 I125 L128 L132F19-L56 HydrophobicContact CE1-CD2 3.66Å; F19-L56 HydrophobicContact CZ-CD2 3.65Å; I54-L56 HydrophobicContact CG2-CD2 3.61Å; I54-L56 HydrophobicContact CG2-CG 4.26Å; L56-K58 PolarHBondContact O-N 2.96Å; L56-K59 PolarHBondContact O-N 3.24Å; L56-V60 PolarHBondContact N-O 2.84Å; L56-V60 PolarHBondContact O-N 2.97Å; L56-L62 HydrophobicContact CD1-CD1 3.92Å; L56-I125 HydrophobicContact CD2-CG2 3.96Å; L56-L128 HydrophobicContact CD1-CB 3.85Å; L56-L128 HydrophobicContact CD1-CD1 3.97Å; L56-L132 HydrophobicContact CB-CD1 4.48Å
57K83Confident92.1Very high91 Ų9136.5 Ų36.540%0.39618%0.182SC..THydrogen-bonded Turntrans52.225.3177.3-59.8-179.91781710113.3K59 Q129K57-K59 HydrophobicContact CB-CG 4.43Å; K57-K59 PolarHBondContact O-N 3.05Å; K57-Q129 PolarHBondContact NZ-O 2.81Å; K57-Q129 VanDerWaalsContact NZ-O 3.07Å
58K82.1Confident92.3Very high121 Ų12135.2 Ų35.253%0.52618%0.18SC..THydrogen-bonded Turntrans55.412.6-170.1-50.7-179.6178.3179.60114.6L56 L88 N91L56-K58 PolarHBondContact O-N 2.96Å; K58-L88 WeakPolarHBondContact O-CB 3.43Å; K58-N91 VanDerWaalsContact CB-ND2 3.25Å; K58-N91 WeakPolarHBondContact CB-ND2 3.38Å; K58-N91 PolarHBondContact O-ND2 3.21Å
59K84.2Confident92.4Very high38 Ų3835.8 Ų35.817%0.16519%0.189CC..THydrogen-bonded Turntrans-95.9-47.6-177.9-68.9-172.6175.4-166.90112.1L56 K57 L87 L88 S93 I94 I97L56-K59 PolarHBondContact O-N 3.24Å; K57-K59 HydrophobicContact CB-CG 4.43Å; K57-K59 PolarHBondContact O-N 3.05Å; K59-L87 WeakPolarHBondContact O-CD1 3.06Å; K59-L88 PolarHBondContact O-N 2.76Å; K59-S93 VanDerWaalsContact CE-O 3.23Å; K59-S93 WeakPolarHBondContact CE-O 3.41Å; K59-S93 WeakPolarHBondContact CE-OG 3.41Å; K59-S93 PolarHBondContact NZ-O 2.95Å; K59-S93 VanDerWaalsContact NZ-O 3.15Å; K59-I94 HydrophobicContact CB-CG2 3.55Å; K59-I94 HydrophobicContact CD-CG2 4.15Å; K59-I94 HydrophobicContact CG-CG2 3.57Å; K59-I97 HydrophobicContact CD-CD1 4.2Å
60V89.8Confident92.5Very high0 Ų033.4 Ų33.40%018%0.176CC..EExtended strand (participates in β ladder)trans-127.1143-174.1174.90000109.3K55 L56 L62 L85 R86 L87 L102 L132K55-V60 CarbonylContact C-O 3.41Å; K55-V60 WeakPolarHBondContact CA-O 3.33Å; L56-V60 PolarHBondContact N-O 2.84Å; L56-V60 PolarHBondContact O-N 2.97Å; V60-L62 HydrophobicContact CG1-CD1 3.99Å; V60-L85 HydrophobicContact CG1-CD2 4.18Å; V60-R86 CarbonylContact C-O 3.46Å; V60-R86 VanDerWaalsContact CA-O 3.28Å; V60-R86 WeakPolarHBondContact CA-O 3.33Å; V60-R86 WeakPolarHBondContact CG1-O 3.46Å; V60-L87 HydrophobicContact CG2-CD1 4.21Å; V60-L102 HydrophobicContact CG2-CD2 4.13Å; V60-L132 HydrophobicContact CB-CD1 4.13Å; V60-L132 HydrophobicContact CG2-CD1 3.91Å; V60-L132 HydrophobicContact CG2-CD2 3.74Å; V60-L132 HydrophobicContact CG2-CG 4.43Å
61E92.3Very high92.5Very high34 Ų3433.2 Ų33.216%0.15918%0.175CC..EExtended strand (participates in β ladder)trans-107.3130.7171.2-176177.589.900109.5V53 I54 L85 R86 L88V53-E61 VanDerWaalsContact CG1-CD 3.43Å; V53-E61 HydrophobicContact CG1-CG 3.26Å; I54-E61 CarbonylContact O-C 2.91Å; I54-E61 WeakPolarHBondContact O-CA 3.38Å; E61-L85 WeakPolarHBondContact O-CA 3.46Å; E61-R86 HydrophobicContact CB-CB 4.44Å; E61-R86 PolarHBondContact N-O 3.11Å; E61-R86 PolarHBondContact O-N 3.48Å; E61-R86 IonicContact OE1-NH1 3.41Å; E61-L88 HydrophobicContact CB-CD1 4.4Å; E61-L88 HydrophobicContact CB-CD2 3.9Å; E61-L88 HydrophobicContact CB-CG 4.05Å
62L94.5Very high92.4Very high2 Ų231.4 Ų31.41%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-102.9120.8168-94.966.5000108V53 I54 L56 V60 V64 I83 T84 L85 L128V53-L62 CarbonylContact C-O 3.6Å; V53-L62 WeakPolarHBondContact CA-O 3.2Å; I54-L62 HydrophobicContact CB-CB 4.42Å; I54-L62 PolarHBondContact N-O 3.45Å; I54-L62 PolarHBondContact O-N 3.21Å; L56-L62 HydrophobicContact CD1-CD1 3.92Å; V60-L62 HydrophobicContact CG1-CD1 3.99Å; L62-V64 HydrophobicContact CB-CG2 4.3Å; L62-I83 HydrophobicContact CD2-CG2 4.01Å; L62-I83 HydrophobicContact CG-CG2 3.99Å; L62-T84 WeakPolarHBondContact CA-O 3.44Å; L62-L85 HydrophobicContact CD1-CD2 3.12Å; L62-L85 HydrophobicContact CD2-CD2 4.4Å; L62-L85 HydrophobicContact CG-CD2 3.53Å; L62-L128 HydrophobicContact CD1-CD1 3.51Å; L62-L128 HydrophobicContact CD2-CD1 3.51Å; L62-L128 HydrophobicContact CG-CD1 4Å
63S94.3Very high92.2Very high22 Ų2237.7 Ų37.715%0.15419%0.191CC..EExtended strand (participates in β ladder)trans-96.8125.1161.3-40.50000108.4I83 T84S63-I83 CarbonylContact O-C 3.56Å; S63-I83 WeakPolarHBondContact O-CA 3.45Å; S63-T84 VanDerWaalsContact CB-OG1 3.32Å; S63-T84 WeakPolarHBondContact CB-OG1 3.41Å; S63-T84 PolarHBondContact N-O 2.86Å; S63-T84 PolarHBondContact O-N 2.95Å
64V96.1Very high92Very high3 Ų338.7 Ų38.72%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-119.8133.3-175.4-178.50000108.8D51 F52 L62 L66 L82 I83 L121D51-V64 WeakPolarHBondContact CA-O 3.26Å; D51-V64 WeakPolarHBondContact CB-O 3.36Å; F52-V64 HydrophobicContact CD2-CB 4.1Å; F52-V64 HydrophobicContact CD2-CG2 4.4Å; F52-V64 HydrophobicContact CE1-CB 4.27Å; F52-V64 HydrophobicContact CE1-CG1 4.07Å; F52-V64 HydrophobicContact CE2-CB 3.6Å; F52-V64 HydrophobicContact CE2-CG1 3.98Å; F52-V64 HydrophobicContact CE2-CG2 3.77Å; F52-V64 HydrophobicContact CZ-CB 3.69Å; F52-V64 HydrophobicContact CZ-CG1 3.54Å; F52-V64 HydrophobicContact CZ-CG2 4.21Å; F52-V64 PolarHBondContact N-O 2.75Å; F52-V64 PolarHBondContact O-N 3.24Å; L62-V64 HydrophobicContact CB-CG2 4.3Å; V64-L66 HydrophobicContact CG1-CD2 3.56Å; V64-L66 HydrophobicContact CG1-CG 4.12Å; V64-L82 CarbonylContact C-O 3.6Å; V64-L82 WeakPolarHBondContact CA-O 3.24Å; V64-I83 HydrophobicContact CG1-CG1 4.35Å; V64-I83 HydrophobicContact CG2-CG1 4.29Å; V64-I83 HydrophobicContact CG2-CG2 4.34Å; V64-L121 HydrophobicContact CG1-CD1 4.47Å; V64-L121 HydrophobicContact CG1-CD2 3.83Å
65V95.1Very high91.7Very high56 Ų5641.7 Ų41.734%0.33922%0.22SC..EExtended strand (participates in β ladder)trans-124.6121.2169.3-177.60000108.2D51 P67 L82D51-V65 HydrophobicContact CB-CB 4.46Å; D51-V65 HydrophobicContact CB-CG2 3.98Å; V65-P67 VanDerWaalsContact O-CD 3.3Å; V65-P67 WeakPolarHBondContact O-CD 3.35Å; V65-L82 HydrophobicContact CB-CB 4.21Å; V65-L82 PolarHBondContact N-O 3.24Å; V65-L82 PolarHBondContact O-N 3.15Å
66L95.8Very high91.5Very high0 Ų046.2 Ų46.20%024%0.242CC..EExtended strand (participates in β ladder)trans-100.797.4179-56.1-172.5000109.3K8 V12 D49 V50 F52 V64 Y70 P81 L121K8-L66 HydrophobicContact CD-CB 4.2Å; K8-L66 HydrophobicContact CD-CD1 4.43Å; K8-L66 HydrophobicContact CG-CB 4.46Å; K8-L66 HydrophobicContact CG-CD1 3.88Å; K8-L66 PolarHBondContact NZ-O 2.66Å; K8-L66 VanDerWaalsContact NZ-O 3.16Å; V12-L66 HydrophobicContact CG2-CD1 3.73Å; D49-L66 WeakPolarHBondContact CA-O 3.45Å; V50-L66 HydrophobicContact CB-CB 4.43Å; V50-L66 PolarHBondContact N-O 3.46Å; V50-L66 VanDerWaalsContact N-O 3.15Å; V50-L66 WeakPolarHBondContact O-CB 3.24Å; V50-L66 PolarHBondContact O-N 2.76Å; F52-L66 HydrophobicContact CE1-CD1 3.86Å; F52-L66 HydrophobicContact CE1-CG 4.07Å; F52-L66 HydrophobicContact CZ-CD1 4.38Å; V64-L66 HydrophobicContact CG1-CD2 3.56Å; V64-L66 HydrophobicContact CG1-CG 4.12Å; L66-Y70 HydrophobicContact CB-CD1 3.98Å; L66-Y70 HydrophobicContact CD1-CD1 4.01Å; L66-Y70 HydrophobicContact CD1-CE1 3.91Å; L66-Y70 HydrophobicContact CD2-CD1 3.8Å; L66-Y70 HydrophobicContact CD2-CE1 3.67Å; L66-Y70 HydrophobicContact CD2-CG 4.37Å; L66-Y70 HydrophobicContact CG-CD1 4.15Å; L66-Y70 HydrophobicContact CG-CE1 4.26Å; L66-P81 HydrophobicContact CD2-CB 3.56Å; L66-L121 HydrophobicContact CD1-CD1 4.09Å; L66-L121 HydrophobicContact CD2-CD1 4.08Å; L66-L121 HydrophobicContact CD2-CD2 4.28Å
67P93.3Very high91.5Very high39 Ų3953.2 Ų53.225%0.25327%0.274SS..  trans-68.4167.1-174.430.4-36.7000112.2K8 D49 V65 G69 Y70 V79 K80K8-P67 PolarHBondContact NZ-O 3.36Å; D49-P67 VanDerWaalsContact OD1-CA 3.24Å; D49-P67 WeakPolarHBondContact OD1-CA 3.48Å; V65-P67 VanDerWaalsContact O-CD 3.3Å; V65-P67 WeakPolarHBondContact O-CD 3.35Å; P67-G69 PolarHBondContact O-N 2.76Å; P67-Y70 WeakPolarHBondContact O-CB 3.45Å; P67-Y70 PolarHBondContact O-N 3.1Å; P67-Y70 VanDerWaalsContact O-N 3.14Å; P67-V79 HydrophobicContact CG-CG1 3.7Å; P67-K80 WeakPolarHBondContact CG-O 3.35Å
68D91.3Very high92Very high81 Ų8150.6 Ų50.643%0.43327%0.267SS..THydrogen-bonded Turntrans-48.5127.4168.8-67.4-25.4000112.3T48 D49T48-D68 VanDerWaalsContact C-OD1 3.3Å; T48-D68 WeakPolarHBondContact CA-OD1 3.5Å; T48-D68 VanDerWaalsContact CB-OD1 3.27Å; T48-D68 WeakPolarHBondContact CB-OD1 3.46Å; T48-D68 PolarHBondContact N-OD1 2.76Å; T48-D68 WeakPolarHBondContact OG1-CA 3.27Å; T48-D68 PolarHBondContact OG1-OD1 3.09Å; D49-D68 PolarHBondContact N-OD1 3.48Å; D49-D68 VanDerWaalsContact N-OD1 3.14Å; D49-D68 PolarHBondContact OD1-N 2.84Å
69G91.9Very high92.6Very high27 Ų2747 Ų4728%0.27825%0.254SS..THydrogen-bonded Turntrans87.9-3.3-179.500000116.4S4 P67 P71 S72S4-G69 PolarHBondContact OG-O 3.17Å; P67-G69 PolarHBondContact O-N 2.76Å; G69-P71 CarbonylContact O-C 3.54Å; G69-S72 VanDerWaalsContact O-CA 3.22Å; G69-S72 WeakPolarHBondContact O-CA 3.46Å; G69-S72 PolarHBondContact O-N 2.84Å; G69-S72 VanDerWaalsContact O-N 3.14Å
70Y94.8Very high92.9Very high1 Ų148.7 Ų48.70%0.00426%0.262CS..  trans-77.1142.6167.5174.3-88.1000111.2S4 K8 E11 L66 P67 V79 P81 P119 I120S4-Y70 PolarHBondContact OG-O 3.41Å; K8-Y70 WeakPolarHBondContact CE-O 3.49Å; K8-Y70 HydrophobicContact CG-CD1 4.32Å; E11-Y70 PolarHBondContact OE1-OH 2.98Å; E11-Y70 WeakPolarHBondContact OE2-CE1 3.43Å; E11-Y70 VanDerWaalsContact OE2-CZ 3.27Å; E11-Y70 PolarHBondContact OE2-OH 3.05Å; L66-Y70 HydrophobicContact CB-CD1 3.98Å; L66-Y70 HydrophobicContact CD1-CD1 4.01Å; L66-Y70 HydrophobicContact CD1-CE1 3.91Å; L66-Y70 HydrophobicContact CD2-CD1 3.8Å; L66-Y70 HydrophobicContact CD2-CE1 3.67Å; L66-Y70 HydrophobicContact CD2-CG 4.37Å; L66-Y70 HydrophobicContact CG-CD1 4.15Å; L66-Y70 HydrophobicContact CG-CE1 4.26Å; P67-Y70 WeakPolarHBondContact O-CB 3.45Å; P67-Y70 PolarHBondContact O-N 3.1Å; P67-Y70 VanDerWaalsContact O-N 3.14Å; Y70-V79 WeakPolarHBondContact CD2-O 3.46Å; Y70-P81 HydrophobicContact CD2-CB 4.35Å; Y70-P81 HydrophobicContact CD2-CG 4.43Å; Y70-P81 HydrophobicContact CE2-CB 4.16Å; Y70-P81 HydrophobicContact CE2-CG 3.93Å; Y70-P119 WeakPolarHBondContact OH-CA 3.05Å; Y70-I120 HydrophobicContact CE2-CG1 4.48Å; Y70-I120 PolarHBondContact OH-N 2.99Å; Y70-I120 VanDerWaalsContact OH-N 3.09Å
71P95.3Very high93.1Very high0 Ų049.2 Ų49.20%027%0.265CS..SBendcis-68.4140.5-21.731.5-37.2000109.6S4 G69 W73 G117 P119S4-P71 WeakPolarHBondContact CB-O 3.42Å; S4-P71 WeakPolarHBondContact O-CD 3.36Å; S4-P71 PolarHBondContact OG-O 3.06Å; G69-P71 CarbonylContact O-C 3.54Å; P71-W73 VanDerWaalsContact C-N 3.33Å; P71-W73 PolarHBondContact O-N 3.36Å; P71-G117 CarbonylContact C-O 3.57Å; P71-G117 WeakPolarHBondContact CB-O 3.45Å; P71-P119 HydrophobicContact CB-CG 4.23Å; P71-P119 HydrophobicContact CG-CG 3.95Å
72S93.2Very high93.1Very high29 Ų2950.6 Ų50.620%0.20327%0.273CS..  trans-76.1-20.3-176.455.90000114.6G69 N74 P78 V79 G117G69-S72 VanDerWaalsContact O-CA 3.22Å; G69-S72 WeakPolarHBondContact O-CA 3.46Å; G69-S72 PolarHBondContact O-N 2.84Å; G69-S72 VanDerWaalsContact O-N 3.14Å; S72-N74 PolarHBondContact O-N 2.94Å; S72-N74 VanDerWaalsContact O-N 3.11Å; S72-N74 PolarHBondContact OG-N 3.46Å; S72-P78 WeakPolarHBondContact OG-CA 3.41Å; S72-V79 PolarHBondContact OG-N 3.1Å; S72-V79 VanDerWaalsContact OG-N 3.14Å; S72-G117 PolarHBondContact N-O 2.85Å; S72-G117 WeakPolarHBondContact OG-CA 3.31Å; S72-G117 PolarHBondContact OG-O 2.88Å
73W92.3Very high93Very high135 Ų13550.6 Ų50.651%0.51127%0.273SS..  trans49.928.7-168.1-63.2104.1000113.2S7 P71 G117 E118 P119S7-W73 PolarHBondContact OG-NE1 3.24Å; S7-W73 VanDerWaalsContact OG-NE1 3.15Å; P71-W73 VanDerWaalsContact C-N 3.33Å; P71-W73 PolarHBondContact O-N 3.36Å; W73-G117 PolarHBondContact N-O 3.11Å; W73-E118 HydrophobicContact CE3-CB 4.46Å; W73-E118 HydrophobicContact CE3-CG 3.92Å; W73-E118 HydrophobicContact CZ3-CB 4.18Å; W73-E118 HydrophobicContact CZ3-CG 3.79Å; W73-P119 HydrophobicContact CH2-CG 4.1Å; W73-P119 HydrophobicContact CZ2-CG 3.83Å
74N91.5Very high92.9Very high62 Ų6250.4 Ų50.433%0.33227%0.271SS..  trans-136.8105.2-175.8-175.6-12.2000110.5S72 H76 H77 P78S72-N74 PolarHBondContact O-N 2.94Å; S72-N74 VanDerWaalsContact O-N 3.11Å; S72-N74 PolarHBondContact OG-N 3.46Å; N74-H76 PolarHBondContact O-N 2.67Å; N74-H76 WeakPolarHBondContact OD1-CA 3.48Å; N74-H76 WeakPolarHBondContact OD1-CB 2.94Å; N74-H76 PolarHBondContact OD1-N 2.76Å; N74-H77 CarbonylContact O-C 3.14Å; N74-H77 PolarHBondContact O-N 2.77Å; N74-H77 PolarHBondContact OD1-N 3.41Å; N74-P78 VanDerWaalsContact O-CA 3.31Å; N74-P78 WeakPolarHBondContact O-CA 3.35Å; N74-P78 VanDerWaalsContact O-N 3.16Å
75A90.5Very high92.6Very high65 Ų6551 Ų5154%0.53727%0.274SS..SBendtrans-68.5-19.2178.600000114.1N115A75-N115 WeakPolarHBondContact CA-O 3.41Å
76H90.7Very high92.3Very high165 Ų16552 Ų5276%0.76427%0.272SS*.SBendtrans-80.4-32.7177.6-64.5-68.4000112.7N74N74-H76 PolarHBondContact O-N 2.67Å; N74-H76 WeakPolarHBondContact OD1-CA 3.48Å; N74-H76 WeakPolarHBondContact OD1-CB 2.94Å; N74-H76 PolarHBondContact OD1-N 2.76Å
77H90.7Very high91.9Very high147 Ų14752.5 Ų52.568%0.68128%0.275SS*.SBendtrans-135.967.2178.9-65.5-63.7000110.4N74 V79N74-H77 CarbonylContact O-C 3.14Å; N74-H77 PolarHBondContact O-N 2.77Å; N74-H77 PolarHBondContact OD1-N 3.41Å; H77-V79 PolarHBondContact O-N 2.81Å
78P93.1Very high91.5Very high36 Ų3652 Ų5223%0.23427%0.27CS..  trans-69.9129.6-174.228.1-34.4000110.7S72 N74 A114S72-P78 WeakPolarHBondContact OG-CA 3.41Å; N74-P78 VanDerWaalsContact O-CA 3.31Å; N74-P78 WeakPolarHBondContact O-CA 3.35Å; N74-P78 VanDerWaalsContact O-N 3.16Å; P78-A114 WeakPolarHBondContact CB-O 3.4Å
79V93.1Very high90.4Very high44 Ų4449.8 Ų49.827%0.26726%0.261SS..  trans-86.5114.1164.9-179.20000107.1P67 Y70 S72 H77P67-V79 HydrophobicContact CG-CG1 3.7Å; Y70-V79 WeakPolarHBondContact CD2-O 3.46Å; S72-V79 PolarHBondContact OG-N 3.1Å; S72-V79 VanDerWaalsContact OG-N 3.14Å; H77-V79 PolarHBondContact O-N 2.81Å
80K92.3Very high89.1Confident74 Ų7455.4 Ų55.432%0.32228%0.284SS..  trans-96146.1-175.1-57.2-174.9175.3179.40111.2P67 D111 A114 N115P67-K80 WeakPolarHBondContact CG-O 3.35Å; K80-D111 IonicContact NZ-OD1 3.41Å; K80-D111 PolarHBondContact NZ-OD1 2.76Å; K80-A114 HydrophobicContact CB-CB 4.3Å; K80-A114 HydrophobicContact CD-CB 3.85Å; K80-A114 HydrophobicContact CG-CB 3.86Å; K80-N115 WeakPolarHBondContact CE-OD1 3.28Å; K80-N115 PolarHBondContact NZ-OD1 3.44Å
81P94.1Very high87.5Confident11 Ų1157.8 Ų57.87%0.07130%0.297CS..  trans-71.2150.5169.232.8-33.1000109.8L66 Y70 I83 I120 L121L66-P81 HydrophobicContact CD2-CB 3.56Å; Y70-P81 HydrophobicContact CD2-CB 4.35Å; Y70-P81 HydrophobicContact CD2-CG 4.43Å; Y70-P81 HydrophobicContact CE2-CB 4.16Å; Y70-P81 HydrophobicContact CE2-CG 3.93Å; P81-I83 HydrophobicContact CB-CD1 4.45Å; P81-I83 HydrophobicContact CB-CG1 4.19Å; P81-I83 HydrophobicContact CG-CD1 4.04Å; P81-I83 HydrophobicContact CG-CG1 4.22Å; P81-I120 HydrophobicContact CG-CD1 3.72Å; P81-I120 HydrophobicContact CG-CG1 4.08Å; P81-L121 HydrophobicContact CB-CD2 4.5Å; P81-L121 HydrophobicContact CG-CD2 4.5Å
82L91.9Very high86Confident63 Ų6362.5 Ų62.533%0.3333%0.33SS..EExtended strand (participates in β ladder)trans-93.8113.7167.8174.566.9000108.1V64 V65 E266V64-L82 CarbonylContact C-O 3.6Å; V64-L82 WeakPolarHBondContact CA-O 3.24Å; V65-L82 HydrophobicContact CB-CB 4.21Å; V65-L82 PolarHBondContact N-O 3.24Å; V65-L82 PolarHBondContact O-N 3.15Å; L82-E266 HydrophobicContact CD1-CG 4.44Å
83I92.7Very high84.8Confident2 Ų263.9 Ų63.91%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-118.3133.1-178.9-54.4179.5000108.5L62 S63 V64 P81 F106 Y107 L110 L121L62-I83 HydrophobicContact CD2-CG2 4.01Å; L62-I83 HydrophobicContact CG-CG2 3.99Å; S63-I83 CarbonylContact O-C 3.56Å; S63-I83 WeakPolarHBondContact O-CA 3.45Å; V64-I83 HydrophobicContact CG1-CG1 4.35Å; V64-I83 HydrophobicContact CG2-CG1 4.29Å; V64-I83 HydrophobicContact CG2-CG2 4.34Å; P81-I83 HydrophobicContact CB-CD1 4.45Å; P81-I83 HydrophobicContact CB-CG1 4.19Å; P81-I83 HydrophobicContact CG-CD1 4.04Å; P81-I83 HydrophobicContact CG-CG1 4.22Å; I83-F106 HydrophobicContact CB-CE1 4.27Å; I83-F106 HydrophobicContact CD1-CZ 4.32Å; I83-F106 HydrophobicContact CG2-CE1 3.77Å; I83-F106 HydrophobicContact CG2-CZ 3.94Å; I83-Y107 VanDerWaalsContact O-CE1 3.28Å; I83-Y107 WeakPolarHBondContact O-CE1 3.32Å; I83-Y107 PolarHBondContact O-OH 2.84Å; I83-L110 HydrophobicContact CB-CD2 4.3Å; I83-L110 HydrophobicContact CD1-CD1 4.04Å; I83-L110 HydrophobicContact CD1-CD2 4.14Å; I83-L110 HydrophobicContact CG1-CD2 4.45Å; I83-L121 HydrophobicContact CD1-CD2 3.97Å
84T90.5Very high83.8Confident18 Ų1857.4 Ų57.411%0.1132%0.315CS..EExtended strand (participates in β ladder)trans-123.6133.6172.660.10000111.4L62 S63 Y107L62-T84 WeakPolarHBondContact CA-O 3.44Å; S63-T84 VanDerWaalsContact CB-OG1 3.32Å; S63-T84 WeakPolarHBondContact CB-OG1 3.41Å; S63-T84 PolarHBondContact N-O 2.86Å; S63-T84 PolarHBondContact O-N 2.95Å; T84-Y107 WeakPolarHBondContact CA-OH 3.29Å
85L91.4Very high82.7Confident15 Ų1557.4 Ų57.48%0.07932%0.315CS..EExtended strand (participates in β ladder)trans-98.7136.9176.9-60.8-175.8000112.4V60 E61 L62 I99 F106 Y107 L128V60-L85 HydrophobicContact CG1-CD2 4.18Å; E61-L85 WeakPolarHBondContact O-CA 3.46Å; L62-L85 HydrophobicContact CD1-CD2 3.12Å; L62-L85 HydrophobicContact CD2-CD2 4.4Å; L62-L85 HydrophobicContact CG-CD2 3.53Å; L85-I99 HydrophobicContact CB-CD1 4.45Å; L85-F106 HydrophobicContact CD1-CB 3.7Å; L85-F106 HydrophobicContact CD1-CD1 3.44Å; L85-F106 VanDerWaalsContact CD1-CD1 3.44Å; L85-F106 HydrophobicContact CD1-CD2 4.49Å; L85-F106 HydrophobicContact CD1-CE1 4.17Å; L85-F106 HydrophobicContact CD1-CG 3.62Å; L85-F106 HydrophobicContact CD2-CD1 4.18Å; L85-F106 HydrophobicContact CD2-CE1 4.08Å; L85-F106 HydrophobicContact CG-CD1 3.78Å; L85-F106 HydrophobicContact CG-CE1 4.06Å; L85-F106 HydrophobicContact CG-CG 4.4Å; L85-Y107 PolarHBondContact N-OH 3.02Å; L85-L128 HydrophobicContact CD1-CD2 3.92Å; L85-L128 HydrophobicContact CD2-CD1 3.99Å; L85-L128 HydrophobicContact CD2-CD2 4.08Å
86R88.3Confident81.7Confident78 Ų7855.7 Ų55.729%0.29430%0.303SS..EExtended strand (participates in β ladder)trans-138148.5172-64.5-175.7-177.5138.4-7111.9V60 E61 E226 H270V60-R86 CarbonylContact C-O 3.46Å; V60-R86 VanDerWaalsContact CA-O 3.28Å; V60-R86 WeakPolarHBondContact CA-O 3.33Å; V60-R86 WeakPolarHBondContact CG1-O 3.46Å; E61-R86 HydrophobicContact CB-CB 4.44Å; E61-R86 PolarHBondContact N-O 3.11Å; E61-R86 PolarHBondContact O-N 3.48Å; E61-R86 IonicContact OE1-NH1 3.41Å; R86-E226 IonicContact CZ-OE1 3.28Å; R86-E226 IonicContact NE-OE1 2.61Å; R86-E226 PolarHBondContact NE-OE1 3.15Å; R86-E226 IonicContact NH2-OE1 3.63Å; R86-E226 PolarHBondContact NH2-OE1 2.6Å; R86-H270 PolarHBondContact NH2-CE1 3.36Å; R86-H270 PolarHBondContact NH2-NE2 3.1Å
87L86.8Confident81.1Confident10 Ų1048.2 Ų48.25%0.05227%0.269CS..EExtended strand (participates in β ladder)trans-84.5132.2173.6-162.169.6000110.6K59 V60 I94 I97 I99 I229 I232K59-L87 WeakPolarHBondContact O-CD1 3.06Å; V60-L87 HydrophobicContact CG2-CD1 4.21Å; L87-I94 HydrophobicContact CD1-CB 4.02Å; L87-I94 HydrophobicContact CD1-CD1 4.13Å; L87-I94 HydrophobicContact CD1-CG2 3.92Å; L87-I94 HydrophobicContact CD2-CB 4.41Å; L87-I94 HydrophobicContact CD2-CD1 3.64Å; L87-I94 HydrophobicContact CD2-CG1 4.49Å; L87-I94 HydrophobicContact CG-CB 4.41Å; L87-I94 HydrophobicContact CG-CD1 3.61Å; L87-I97 HydrophobicContact CD1-CB 4.34Å; L87-I97 HydrophobicContact CD1-CD1 4.39Å; L87-I97 HydrophobicContact CD1-CG2 4.06Å; L87-I99 HydrophobicContact CB-CD1 4.43Å; L87-I229 HydrophobicContact CB-CB 4.4Å; L87-I229 HydrophobicContact CB-CG2 4.4Å; L87-I229 HydrophobicContact CD2-CG2 3.91Å; L87-I232 HydrophobicContact CD2-CG1 4.12Å
88L85Confident80.6Confident29 Ų2942.3 Ų42.315%0.15224%0.242CC..  trans-86.5116.7177.1-70.2173000110.1K55 K58 K59 E61 D90 I94K55-L88 HydrophobicContact CB-CD1 4.03Å; K55-L88 HydrophobicContact CD-CD1 4.16Å; K55-L88 HydrophobicContact CG-CD1 4.02Å; K58-L88 WeakPolarHBondContact O-CB 3.43Å; K59-L88 PolarHBondContact O-N 2.76Å; E61-L88 HydrophobicContact CB-CD1 4.4Å; E61-L88 HydrophobicContact CB-CD2 3.9Å; E61-L88 HydrophobicContact CB-CG 4.05Å; L88-D90 PolarHBondContact O-N 3.2Å; L88-I94 WeakPolarHBondContact O-CD1 3.18Å
89S68.4Low80.3Confident35 Ų3541.2 Ų41.225%0.24523%0.234CC..THydrogen-bonded Turntrans-55.2-22.7-172.9-84.10000117N91 K157 I229S89-N91 VanDerWaalsContact C-N 3.35Å; S89-N91 PolarHBondContact O-N 3.06Å; S89-K157 VanDerWaalsContact CB-NZ 3.32Å; S89-K157 PolarHBondContact OG-NZ 2.75Å; S89-I229 WeakPolarHBondContact OG-CD1 3.4Å
90D64.9Low79.6Confident145 Ų14540.7 Ų40.778%0.77523%0.227SC*.THydrogen-bonded Turntrans-92.710.1-152-62.8-19.5000114.3L88L88-D90 PolarHBondContact O-N 3.2Å
91N61.7Low79.2Confident51 Ų5138.7 Ų38.727%0.27323%0.225SC..  trans-128.5139.6-170.9-69.4-55.6000113.7K58 S89 S93 I94K58-N91 VanDerWaalsContact CB-ND2 3.25Å; K58-N91 WeakPolarHBondContact CB-ND2 3.38Å; K58-N91 PolarHBondContact O-ND2 3.21Å; S89-N91 VanDerWaalsContact C-N 3.35Å; S89-N91 PolarHBondContact O-N 3.06Å; N91-S93 PolarHBondContact O-N 3.16Å; N91-I94 WeakPolarHBondContact O-CG1 3.48Å
92S62.3Low78.9Confident98 Ų9838.2 Ų38.269%0.68522%0.222SC*.G310 helixtrans-71.1-18.2170.750.80000112.7I94 L95S92-I94 PolarHBondContact O-N 2.82Å; S92-L95 WeakPolarHBondContact O-CB 3.44Å; S92-L95 PolarHBondContact O-N 3.22Å
93S68.1Low78.8Confident58 Ų5835.5 Ų35.541%0.40621%0.208SC..G310 helixtrans-78.5-1.1-176.166.30000114.8K59 N91K59-S93 VanDerWaalsContact CE-O 3.23Å; K59-S93 WeakPolarHBondContact CE-O 3.41Å; K59-S93 WeakPolarHBondContact CE-OG 3.41Å; K59-S93 PolarHBondContact NZ-O 2.95Å; K59-S93 VanDerWaalsContact NZ-O 3.15Å; N91-S93 PolarHBondContact O-N 3.16Å
94I72.1Confident78.5Confident0 Ų039.2 Ų39.20%023%0.234CC..G310 helixtrans-100.26.4174.256.6167000113.2K59 L87 L88 N91 S92 G96 I97 I232K59-I94 HydrophobicContact CB-CG2 3.55Å; K59-I94 HydrophobicContact CD-CG2 4.15Å; K59-I94 HydrophobicContact CG-CG2 3.57Å; L87-I94 HydrophobicContact CD1-CB 4.02Å; L87-I94 HydrophobicContact CD1-CD1 4.13Å; L87-I94 HydrophobicContact CD1-CG2 3.92Å; L87-I94 HydrophobicContact CD2-CB 4.41Å; L87-I94 HydrophobicContact CD2-CD1 3.64Å; L87-I94 HydrophobicContact CD2-CG1 4.49Å; L87-I94 HydrophobicContact CG-CB 4.41Å; L87-I94 HydrophobicContact CG-CD1 3.61Å; L88-I94 WeakPolarHBondContact O-CD1 3.18Å; N91-I94 WeakPolarHBondContact O-CG1 3.48Å; S92-I94 PolarHBondContact O-N 2.82Å; I94-G96 PolarHBondContact O-N 3.08Å; I94-I97 HydrophobicContact CB-CD1 3.89Å; I94-I97 HydrophobicContact CB-CG1 4.4Å; I94-I97 HydrophobicContact CG2-CD1 3.79Å; I94-I97 PolarHBondContact O-N 3Å; I94-I232 HydrophobicContact CD1-CD1 3.12Å; I94-I232 HydrophobicContact CD1-CG1 3.77Å; I94-I232 HydrophobicContact CG1-CB 4.5Å; I94-I232 HydrophobicContact CG1-CD1 3.8Å; I94-I232 HydrophobicContact CG1-CG1 4.24Å
95L68.1Low78.5Confident62 Ų6242.3 Ų42.333%0.32524%0.244SC..BIsolated β-bridgetrans-59.2122.6177.8-153.9123.5000109.8S92 N154S92-L95 WeakPolarHBondContact O-CB 3.44Å; S92-L95 PolarHBondContact O-N 3.22Å; L95-N154 HydrophobicContact CD1-CB 3.95Å; L95-N154 WeakPolarHBondContact CD1-O 3.41Å
96G70.2Confident78.5Confident28 Ų2841.6 Ų41.629%0.28924%0.24SC..THydrogen-bonded Turntrans88-9.5-17800000116.2I94 N98 I232I94-G96 PolarHBondContact O-N 3.08Å; G96-N98 PolarHBondContact O-N 3.43Å; G96-I232 PolarHBondContact N-O 3.38Å; G96-I232 VanDerWaalsContact N-O 3.16Å
97I77.6Confident78.7Confident8 Ų839.5 Ų39.54%0.04123%0.232CC..  trans-65.1125.1175.2-61.7-178000109.2K59 L87 I94 L102 L132 G231K59-I97 HydrophobicContact CD-CD1 4.2Å; L87-I97 HydrophobicContact CD1-CB 4.34Å; L87-I97 HydrophobicContact CD1-CD1 4.39Å; L87-I97 HydrophobicContact CD1-CG2 4.06Å; I94-I97 HydrophobicContact CB-CD1 3.89Å; I94-I97 HydrophobicContact CB-CG1 4.4Å; I94-I97 HydrophobicContact CG2-CD1 3.79Å; I94-I97 PolarHBondContact O-N 3Å; I97-L102 HydrophobicContact CG2-CD2 4.45Å; I97-L132 HydrophobicContact CD1-CD2 3.95Å; I97-G231 WeakPolarHBondContact O-CA 3.23Å
98N81.1Confident78.9Confident23 Ų2344.6 Ų44.612%0.12326%0.256CS..  trans-95.399.5170.7179.7-13000109.4G96 R100 A101 L102 Y235 I237G96-N98 PolarHBondContact O-N 3.43Å; N98-R100 PolarHBondContact O-N 2.76Å; N98-R100 VanDerWaalsContact O-N 3.14Å; N98-R100 WeakPolarHBondContact OD1-CB 3.34Å; N98-R100 PolarHBondContact OD1-N 2.93Å; N98-A101 HydrophobicContact CB-CB 3.91Å; N98-A101 PolarHBondContact O-N 2.91Å; N98-A101 PolarHBondContact OD1-N 3.16Å; N98-A101 VanDerWaalsContact OD1-N 3.1Å; N98-L102 PolarHBondContact O-N 3.46Å; N98-Y235 HydrophobicContact CB-CD2 4.21Å; N98-Y235 HydrophobicContact CB-CE2 3.72Å; N98-Y235 VanDerWaalsContact CG-CE2 3.47Å; N98-Y235 WeakPolarHBondContact OD1-CE2 3.48Å; N98-Y235 PolarHBondContact OD1-OH 3.31Å; N98-I237 VanDerWaalsContact ND2-CD1 3.31Å; N98-I237 WeakPolarHBondContact ND2-CD1 3.43Å
99I85Confident79.3Confident14 Ų1446 Ų467%0.07226%0.259CS..Hα-helixtrans-58.7-32.9-176.9-16555.3000111.7L85 L87 L102 S103 I229 L230L85-I99 HydrophobicContact CB-CD1 4.45Å; L87-I99 HydrophobicContact CB-CD1 4.43Å; I99-L102 HydrophobicContact CD1-CD2 4.25Å; I99-L102 PolarHBondContact O-N 2.99Å; I99-S103 WeakPolarHBondContact O-CB 3.4Å; I99-S103 PolarHBondContact O-N 3.22Å; I99-S103 PolarHBondContact O-OG 3.23Å; I99-I229 WeakPolarHBondContact CG2-O 3.14Å; I99-L230 WeakPolarHBondContact CG2-O 3.3Å; I99-L230 PolarHBondContact N-O 3.15Å; I99-L230 VanDerWaalsContact N-O 3.15Å
100R80.2Confident80.5Confident32 Ų3245.1 Ų45.112%0.12125%0.252CS..Hα-helixtrans-71.2-43.5-179-60.6-167.5-170.4118.9-11.3111.7N98 L102 S103 S104 E201 L230 Y235 I237N98-R100 PolarHBondContact O-N 2.76Å; N98-R100 VanDerWaalsContact O-N 3.14Å; N98-R100 WeakPolarHBondContact OD1-CB 3.34Å; N98-R100 PolarHBondContact OD1-N 2.93Å; R100-L102 VanDerWaalsContact C-N 3.32Å; R100-S103 PolarHBondContact O-N 3.39Å; R100-S104 VanDerWaalsContact O-CB 3.24Å; R100-S104 WeakPolarHBondContact O-CB 3.29Å; R100-S104 PolarHBondContact O-N 3.37Å; R100-E201 IonicContact CZ-OE1 3.17Å; R100-E201 IonicContact CZ-OE2 3.82Å; R100-E201 IonicContact NH2-OE1 2.89Å; R100-E201 PolarHBondContact NH2-OE1 3.41Å; R100-E201 IonicContact NH2-OE2 3.44Å; R100-E201 PolarHBondContact NH2-OE2 3.46Å; R100-L230 HydrophobicContact CG-CD2 4.33Å; R100-L230 VanDerWaalsContact CZ-CD2 3.5Å; R100-Y235 PolarHBondContact NH1-OH 2.88Å; R100-I237 PolarHBondContact NH1-O 3.46Å
101A83.3Confident81.7Confident33 Ų3342.3 Ų42.327%0.27324%0.237SC..Hα-helixtrans-63.4-43.7176.200000110.3N98 R105N98-A101 HydrophobicContact CB-CB 3.91Å; N98-A101 PolarHBondContact O-N 2.91Å; N98-A101 PolarHBondContact OD1-N 3.16Å; N98-A101 VanDerWaalsContact OD1-N 3.1Å; A101-R105 WeakPolarHBondContact O-CG 3.29Å; A101-R105 PolarHBondContact O-N 3.18Å; A101-R105 VanDerWaalsContact O-N 3.09Å; A101-R105 PolarHBondContact O-NH1 3.12Å
102L88.2Confident83.1Confident1 Ų146 Ų461%0.00525%0.25CS..Hα-helixtrans-60.1-51.4174.7-179.263.1000111.4V60 I97 N98 I99 R100 S104 R105 F106 W127 L128 E131 L132V60-L102 HydrophobicContact CG2-CD2 4.13Å; I97-L102 HydrophobicContact CG2-CD2 4.45Å; N98-L102 PolarHBondContact O-N 3.46Å; I99-L102 HydrophobicContact CD1-CD2 4.25Å; I99-L102 PolarHBondContact O-N 2.99Å; R100-L102 VanDerWaalsContact C-N 3.32Å; L102-S104 PolarHBondContact O-N 3.39Å; L102-R105 PolarHBondContact O-N 3.45Å; L102-F106 VanDerWaalsContact O-CB 3.32Å; L102-F106 WeakPolarHBondContact O-CB 3.39Å; L102-F106 PolarHBondContact O-N 3.45Å; L102-W127 HydrophobicContact CD1-CZ3 4.25Å; L102-L128 HydrophobicContact CD1-CD2 4.45Å; L102-E131 HydrophobicContact CD1-CB 3.87Å; L102-L132 HydrophobicContact CD2-CD2 3.87Å
103S88.5Confident84.5Confident6 Ų643.4 Ų43.44%0.04223%0.228CC..Hα-helixtrans-60.7-42.8178.8-70.60000112.8I99 R100 F106 Y107I99-S103 WeakPolarHBondContact O-CB 3.4Å; I99-S103 PolarHBondContact O-N 3.22Å; I99-S103 PolarHBondContact O-OG 3.23Å; R100-S103 PolarHBondContact O-N 3.39Å; S103-F106 PolarHBondContact O-N 2.76Å; S103-Y107 WeakPolarHBondContact O-CD2 3.27Å; S103-Y107 PolarHBondContact O-N 2.88Å
104S86.6Confident85.6Confident80 Ų8040.9 Ų40.956%0.55921%0.21SC*.Hα-helixtrans-61.3-46.8177.5176.80000111.6R100 L102 H108R100-S104 VanDerWaalsContact O-CB 3.24Å; R100-S104 WeakPolarHBondContact O-CB 3.29Å; R100-S104 PolarHBondContact O-N 3.37Å; L102-S104 PolarHBondContact O-N 3.39Å; S104-H108 VanDerWaalsContact O-CB 3.29Å; S104-H108 WeakPolarHBondContact O-CB 3.13Å; S104-H108 PolarHBondContact O-N 2.83Å; S104-H108 VanDerWaalsContact O-N 3.08Å
105R90.5Very high86.5Confident83 Ų8344 Ų4431%0.31323%0.227SC..Hα-helixtrans-63-43.3174.8-67.5-167.6-50-93.19.8111.5A101 L102 H108 W109 W127 E131 E135A101-R105 WeakPolarHBondContact O-CG 3.29Å; A101-R105 PolarHBondContact O-N 3.18Å; A101-R105 VanDerWaalsContact O-N 3.09Å; A101-R105 PolarHBondContact O-NH1 3.12Å; L102-R105 PolarHBondContact O-N 3.45Å; R105-H108 PolarHBondContact O-N 2.9Å; R105-W109 WeakPolarHBondContact O-CB 3.42Å; R105-W109 PolarHBondContact O-N 2.99Å; R105-W127 VanDerWaalsContact C-CH2 3.49Å; R105-W127 HydrophobicContact CB-CH2 3.64Å; R105-W127 HydrophobicContact CB-CZ2 3.95Å; R105-E131 IonicContact CZ-OE2 3.31Å; R105-E131 IonicContact NE-OE2 3.74Å; R105-E131 PolarHBondContact NE-OE2 3.34Å; R105-E131 IonicContact NH2-OE2 3.8Å; R105-E131 PolarHBondContact NH2-OE2 3.3Å; R105-E135 IonicContact CZ-OE1 2.96Å; R105-E135 IonicContact NH1-OE1 3.94Å; R105-E135 IonicContact NH2-OE1 3.15Å; R105-E135 PolarHBondContact NH2-OE1 3.15Å
106F92.9Very high87.7Confident0 Ų043.5 Ų43.50%023%0.227CC..Hα-helixtrans-61.1-52.9-179.9177.2-111.1000111.6I83 L85 L102 S103 H108 W109 L110 C124 W127 L128I83-F106 HydrophobicContact CB-CE1 4.27Å; I83-F106 HydrophobicContact CD1-CZ 4.32Å; I83-F106 HydrophobicContact CG2-CE1 3.77Å; I83-F106 HydrophobicContact CG2-CZ 3.94Å; L85-F106 HydrophobicContact CD1-CB 3.7Å; L85-F106 HydrophobicContact CD1-CD1 3.44Å; L85-F106 VanDerWaalsContact CD1-CD1 3.44Å; L85-F106 HydrophobicContact CD1-CD2 4.49Å; L85-F106 HydrophobicContact CD1-CE1 4.17Å; L85-F106 HydrophobicContact CD1-CG 3.62Å; L85-F106 HydrophobicContact CD2-CD1 4.18Å; L85-F106 HydrophobicContact CD2-CE1 4.08Å; L85-F106 HydrophobicContact CG-CD1 3.78Å; L85-F106 HydrophobicContact CG-CE1 4.06Å; L85-F106 HydrophobicContact CG-CG 4.4Å; L102-F106 VanDerWaalsContact O-CB 3.32Å; L102-F106 WeakPolarHBondContact O-CB 3.39Å; L102-F106 PolarHBondContact O-N 3.45Å; S103-F106 PolarHBondContact O-N 2.76Å; F106-H108 VanDerWaalsContact C-N 3.32Å; F106-H108 PolarHBondContact O-N 3.18Å; F106-W109 HydrophobicContact CD2-CE3 4.3Å; F106-W109 HydrophobicContact CE2-CE3 4.29Å; F106-W109 HydrophobicContact CE2-CZ3 4.17Å; F106-W109 CarbonylContact O-C 3.46Å; F106-W109 PolarHBondContact O-N 3.08Å; F106-L110 HydrophobicContact CE1-CD2 4.01Å; F106-L110 HydrophobicContact CZ-CD2 4.31Å; F106-L110 VanDerWaalsContact O-CB 3.28Å; F106-L110 WeakPolarHBondContact O-CB 3.17Å; F106-L110 PolarHBondContact O-N 3.43Å; F106-C124 HydrophobicContact CE2-CB 4.12Å; F106-C124 HydrophobicContact CZ-CB 4.26Å; F106-W127 VanDerWaalsContact CA-CZ3 3.47Å; F106-W127 HydrophobicContact CB-CE3 4.32Å; F106-W127 HydrophobicContact CB-CH2 3.92Å; F106-W127 HydrophobicContact CB-CZ3 3.53Å; F106-W127 HydrophobicContact CD2-CD2 4.48Å; F106-W127 AromaticContact CD2-CE3 3.58Å; F106-W127 HydrophobicContact CD2-CE3 3.58Å; F106-W127 AromaticContact CD2-CZ3 3.67Å; F106-W127 HydrophobicContact CD2-CZ3 3.67Å; F106-W127 HydrophobicContact CE2-CE3 4.44Å; F106-W127 HydrophobicContact CG-CE3 4.44Å; F106-W127 HydrophobicContact CG-CZ3 4.09Å; F106-L128 HydrophobicContact CB-CD2 4.45Å; F106-L128 HydrophobicContact CD2-CD1 4Å; F106-L128 HydrophobicContact CD2-CD2 3.72Å; F106-L128 HydrophobicContact CD2-CG 3.69Å; F106-L128 HydrophobicContact CE2-CD1 3.53Å; F106-L128 HydrophobicContact CE2-CD2 4.16Å; F106-L128 HydrophobicContact CE2-CG 3.7Å; F106-L128 HydrophobicContact CG-CD2 4.13Å; F106-L128 HydrophobicContact CZ-CD1 3.99Å
107Y91.2Very high88.7Confident33 Ų3342.2 Ų42.213%0.12921%0.213CC..Hα-helixtrans-68.2-33-177.8-65.3-53.5000112.4I83 T84 L85 S103 W109 L110 D111I83-Y107 VanDerWaalsContact O-CE1 3.28Å; I83-Y107 WeakPolarHBondContact O-CE1 3.32Å; I83-Y107 PolarHBondContact O-OH 2.84Å; T84-Y107 WeakPolarHBondContact CA-OH 3.29Å; L85-Y107 PolarHBondContact N-OH 3.02Å; S103-Y107 WeakPolarHBondContact O-CD2 3.27Å; S103-Y107 PolarHBondContact O-N 2.88Å; Y107-W109 VanDerWaalsContact C-N 3.35Å; Y107-L110 HydrophobicContact CD1-CD2 4.08Å; Y107-L110 PolarHBondContact O-N 3.47Å; Y107-D111 PolarHBondContact O-N 3.19Å
108H90.5Very high89.6Confident118 Ų11846.3 Ų46.355%0.54623%0.233SC..Hα-helixtrans-63.9-40.3172.3-179.471.6000112.4S104 R105 F106 K112S104-H108 VanDerWaalsContact O-CB 3.29Å; S104-H108 WeakPolarHBondContact O-CB 3.13Å; S104-H108 PolarHBondContact O-N 2.83Å; S104-H108 VanDerWaalsContact O-N 3.08Å; R105-H108 PolarHBondContact O-N 2.9Å; F106-H108 VanDerWaalsContact C-N 3.32Å; F106-H108 PolarHBondContact O-N 3.18Å; H108-K112 VanDerWaalsContact NE2-CE 3.29Å; H108-K112 WeakPolarHBondContact NE2-CE 3.12Å; H108-K112 PolarHBondContact NE2-NZ 2.86Å
109W94.2Very high90.3Very high59 Ų5947.4 Ų47.422%0.22324%0.241CC..Hα-helixtrans-70.6-42.4174.2172.187.2000111.7R105 F106 Y107 D111 K112 I113 A123 C124 W127R105-W109 WeakPolarHBondContact O-CB 3.42Å; R105-W109 PolarHBondContact O-N 2.99Å; F106-W109 HydrophobicContact CD2-CE3 4.3Å; F106-W109 HydrophobicContact CE2-CE3 4.29Å; F106-W109 HydrophobicContact CE2-CZ3 4.17Å; F106-W109 CarbonylContact O-C 3.46Å; F106-W109 PolarHBondContact O-N 3.08Å; Y107-W109 VanDerWaalsContact C-N 3.35Å; W109-D111 VanDerWaalsContact C-N 3.35Å; W109-D111 PolarHBondContact O-N 3.44Å; W109-K112 WeakPolarHBondContact O-CB 3.32Å; W109-K112 PolarHBondContact O-N 2.82Å; W109-I113 HydrophobicContact CE3-CG2 4.35Å; W109-I113 HydrophobicContact CH2-CD1 3.9Å; W109-I113 HydrophobicContact CH2-CG2 3.79Å; W109-I113 HydrophobicContact CZ2-CB 4.42Å; W109-I113 HydrophobicContact CZ2-CD1 3.6Å; W109-I113 HydrophobicContact CZ2-CG2 4.12Å; W109-I113 HydrophobicContact CZ3-CG2 3.92Å; W109-I113 PolarHBondContact O-N 3.44Å; W109-A123 VanDerWaalsContact CH2-C 3.43Å; W109-A123 HydrophobicContact CH2-CB 4.02Å; W109-A123 WeakPolarHBondContact CH2-O 3.32Å; W109-A123 HydrophobicContact CZ2-CB 4.22Å; W109-C124 HydrophobicContact CH2-CB 4.37Å; W109-C124 HydrophobicContact CZ3-CB 4.12Å; W109-W127 HydrophobicContact CB-CZ2 4.2Å; W109-W127 AromaticContact CD1-CD1 3.53Å; W109-W127 AromaticContact CD1-NE1 3.46Å; W109-W127 HydrophobicContact CD2-CB 4.24Å; W109-W127 AromaticContact CD2-CD1 3.57Å; W109-W127 HydrophobicContact CD2-CD2 4.09Å; W109-W127 AromaticContact CD2-CG 3.69Å; W109-W127 HydrophobicContact CD2-CG 3.69Å; W109-W127 AromaticContact CD2-NE1 3.87Å; W109-W127 AromaticContact CE2-CD1 3.47Å; W109-W127 VanDerWaalsContact CE2-CD1 3.47Å; W109-W127 AromaticContact CE2-CG 3.78Å; W109-W127 HydrophobicContact CE3-CB 4.26Å; W109-W127 HydrophobicContact CE3-CD2 4.2Å; W109-W127 AromaticContact CE3-CG 3.98Å; W109-W127 HydrophobicContact CE3-CG 3.98Å; W109-W127 AromaticContact CG-CD1 3.63Å; W109-W127 HydrophobicContact CG-CD2 4.28Å; W109-W127 AromaticContact CG-CE2 3.88Å; W109-W127 HydrophobicContact CG-CG 4.13Å; W109-W127 AromaticContact CG-NE1 3.45Å; W109-W127 HydrophobicContact CH2-CB 4Å; W109-W127 HydrophobicContact CH2-CG 4.48Å; W109-W127 HydrophobicContact CZ2-CB 3.91Å; W109-W127 HydrophobicContact CZ2-CG 4.18Å; W109-W127 HydrophobicContact CZ3-CB 4.16Å; W109-W127 HydrophobicContact CZ3-CG 4.38Å; W109-W127 AromaticContact NE1-CD1 3.39Å; W109-W127 AromaticContact NE1-NE1 3.85Å
110L93.7Very high90.8Very high16 Ų1647 Ų478%0.08424%0.239CC..Hα-helixtrans-59.9-43.5-179.9-178.964.5000111.4I83 F106 Y107 K112 I113 A114 I120 C124I83-L110 HydrophobicContact CB-CD2 4.3Å; I83-L110 HydrophobicContact CD1-CD1 4.04Å; I83-L110 HydrophobicContact CD1-CD2 4.14Å; I83-L110 HydrophobicContact CG1-CD2 4.45Å; F106-L110 HydrophobicContact CE1-CD2 4.01Å; F106-L110 HydrophobicContact CZ-CD2 4.31Å; F106-L110 VanDerWaalsContact O-CB 3.28Å; F106-L110 WeakPolarHBondContact O-CB 3.17Å; F106-L110 PolarHBondContact O-N 3.43Å; Y107-L110 HydrophobicContact CD1-CD2 4.08Å; Y107-L110 PolarHBondContact O-N 3.47Å; L110-K112 PolarHBondContact O-N 3.12Å; L110-I113 HydrophobicContact CD1-CG2 4.3Å; L110-I113 WeakPolarHBondContact O-CG2 3.34Å; L110-I113 PolarHBondContact O-N 3.18Å; L110-A114 WeakPolarHBondContact O-CB 3.37Å; L110-A114 PolarHBondContact O-N 3.14Å; L110-I120 HydrophobicContact CD1-CD1 3.61Å; L110-C124 VanDerWaalsContact CD1-SG 3.51Å
111D89.4Confident91.6Very high86 Ų8645.6 Ų45.646%0.4623%0.233SC..Hα-helixtrans-59.9-37.9179.8-174.758.4000111.8K80 Y107 W109 N115K80-D111 IonicContact NZ-OD1 3.41Å; K80-D111 PolarHBondContact NZ-OD1 2.76Å; Y107-D111 PolarHBondContact O-N 3.19Å; W109-D111 VanDerWaalsContact C-N 3.35Å; W109-D111 PolarHBondContact O-N 3.44Å; D111-N115 PolarHBondContact O-N 3.17Å; D111-N115 PolarHBondContact O-ND2 3.46Å; D111-N115 PolarHBondContact O-OD1 3.48Å
112K90.6Very high92.2Very high129 Ų12946.6 Ų46.656%0.56124%0.236SC*.Hα-helixtrans-66-48.4177.6-66.9175.3178.1172.70112.1H108 W109 L110H108-K112 VanDerWaalsContact NE2-CE 3.29Å; H108-K112 WeakPolarHBondContact NE2-CE 3.12Å; H108-K112 PolarHBondContact NE2-NZ 2.86Å; W109-K112 WeakPolarHBondContact O-CB 3.32Å; W109-K112 PolarHBondContact O-N 2.82Å; L110-K112 PolarHBondContact O-N 3.12Å
113I93.3Very high92.6Very high43 Ų4348.2 Ų48.222%0.22125%0.25CC..Hα-helixtrans-76-34.7-176.2-160.4167.1000112W109 L110 N115 T116 I120 A123W109-I113 HydrophobicContact CE3-CG2 4.35Å; W109-I113 HydrophobicContact CH2-CD1 3.9Å; W109-I113 HydrophobicContact CH2-CG2 3.79Å; W109-I113 HydrophobicContact CZ2-CB 4.42Å; W109-I113 HydrophobicContact CZ2-CD1 3.6Å; W109-I113 HydrophobicContact CZ2-CG2 4.12Å; W109-I113 HydrophobicContact CZ3-CG2 3.92Å; W109-I113 PolarHBondContact O-N 3.44Å; L110-I113 HydrophobicContact CD1-CG2 4.3Å; L110-I113 WeakPolarHBondContact O-CG2 3.34Å; L110-I113 PolarHBondContact O-N 3.18Å; I113-N115 PolarHBondContact O-N 3.27Å; I113-N115 VanDerWaalsContact O-N 3.16Å; I113-T116 WeakPolarHBondContact O-CG2 3.4Å; I113-T116 PolarHBondContact O-N 3.43Å; I113-T116 VanDerWaalsContact O-N 3.15Å; I113-T116 PolarHBondContact O-OG1 2.93Å; I113-I120 HydrophobicContact CG1-CG2 4Å; I113-I120 HydrophobicContact CG2-CB 4.4Å; I113-I120 HydrophobicContact CG2-CD1 4.25Å; I113-I120 HydrophobicContact CG2-CG2 4.34Å; I113-A123 HydrophobicContact CD1-CB 3.67Å
114A91.4Very high92.9Very high4 Ų448 Ų483%0.03325%0.248CC..Hα-helixtrans-67.1-16.6178.900000113.2P78 K80 L110 T116 G117 I120P78-A114 WeakPolarHBondContact CB-O 3.4Å; K80-A114 HydrophobicContact CB-CB 4.3Å; K80-A114 HydrophobicContact CD-CB 3.85Å; K80-A114 HydrophobicContact CG-CB 3.86Å; L110-A114 WeakPolarHBondContact O-CB 3.37Å; L110-A114 PolarHBondContact O-N 3.14Å; A114-T116 PolarHBondContact O-N 2.89Å; A114-G117 PolarHBondContact O-N 2.95Å; A114-I120 HydrophobicContact CB-CD1 3.69Å
115N90.9Very high93.3Very high66 Ų6644.3 Ų44.335%0.35322%0.222SC..THydrogen-bonded Turntrans-72.5-10.5174.9-70.8-29.2000113.7A75 K80 D111 I113 G117A75-N115 WeakPolarHBondContact CA-O 3.41Å; K80-N115 WeakPolarHBondContact CE-OD1 3.28Å; K80-N115 PolarHBondContact NZ-OD1 3.44Å; D111-N115 PolarHBondContact O-N 3.17Å; D111-N115 PolarHBondContact O-ND2 3.46Å; D111-N115 PolarHBondContact O-OD1 3.48Å; I113-N115 PolarHBondContact O-N 3.27Å; I113-N115 VanDerWaalsContact O-N 3.16Å; N115-G117 VanDerWaalsContact C-N 3.26Å
116T92.3Very high93.5Very high51 Ų5144.6 Ų44.631%0.31323%0.23SC..THydrogen-bonded Turntrans-71.6-26.4173.166.50000111.9I113 A114 E118I113-T116 WeakPolarHBondContact O-CG2 3.4Å; I113-T116 PolarHBondContact O-N 3.43Å; I113-T116 VanDerWaalsContact O-N 3.15Å; I113-T116 PolarHBondContact O-OG1 2.93Å; A114-T116 PolarHBondContact O-N 2.89Å; T116-E118 PolarHBondContact O-N 2.9Å; T116-E118 WeakPolarHBondContact OG1-CB 3.47Å; T116-E118 PolarHBondContact OG1-N 3.31Å
117G92.3Very high93.6Very high1 Ų146.5 Ų46.51%0.0124%0.237CC..  trans75.74.6-173.800000114.2P71 S72 W73 A114 N115P71-G117 CarbonylContact C-O 3.57Å; P71-G117 WeakPolarHBondContact CB-O 3.45Å; S72-G117 PolarHBondContact N-O 2.85Å; S72-G117 WeakPolarHBondContact OG-CA 3.31Å; S72-G117 PolarHBondContact OG-O 2.88Å; W73-G117 PolarHBondContact N-O 3.11Å; A114-G117 PolarHBondContact O-N 2.95Å; N115-G117 VanDerWaalsContact C-N 3.26Å
118E94.6Very high93.7Very high95 Ų9545 Ų4544%0.44423%0.231SC..SBendtrans-83.1169.2179.7-60.3177.3152.800111.6W73 T116 I120W73-E118 HydrophobicContact CE3-CB 4.46Å; W73-E118 HydrophobicContact CE3-CG 3.92Å; W73-E118 HydrophobicContact CZ3-CB 4.18Å; W73-E118 HydrophobicContact CZ3-CG 3.79Å; T116-E118 PolarHBondContact O-N 2.9Å; T116-E118 WeakPolarHBondContact OG1-CB 3.47Å; T116-E118 PolarHBondContact OG1-N 3.31Å; E118-I120 WeakPolarHBondContact O-CG2 3.45Å; E118-I120 PolarHBondContact O-N 3.27Å
119P95.6Very high93.8Very high45 Ų4542 Ų4229%0.29222%0.217SC..  trans-60.8126.9164.2-8.216.3000110.9E11 Y70 P71 W73E11-P119 HydrophobicContact CB-CB 4.27Å; E11-P119 HydrophobicContact CG-CB 4.16Å; E11-P119 VanDerWaalsContact OE1-C 3.25Å; E11-P119 WeakPolarHBondContact OE1-CA 3.32Å; E11-P119 VanDerWaalsContact OE1-CB 3.26Å; E11-P119 WeakPolarHBondContact OE1-CB 3.37Å; Y70-P119 WeakPolarHBondContact OH-CA 3.05Å; P71-P119 HydrophobicContact CB-CG 4.23Å; P71-P119 HydrophobicContact CG-CG 3.95Å; W73-P119 HydrophobicContact CH2-CG 4.1Å; W73-P119 HydrophobicContact CZ2-CG 3.83Å
120I96.1Very high93.6Very high5 Ų542.7 Ų42.73%0.02623%0.225CC..  trans-125-6.7-172.561.3174.7000115E11 Y70 P81 L110 I113 A114 E118 V122 A123 C124E11-I120 PolarHBondContact OE1-N 3.45Å; Y70-I120 HydrophobicContact CE2-CG1 4.48Å; Y70-I120 PolarHBondContact OH-N 2.99Å; Y70-I120 VanDerWaalsContact OH-N 3.09Å; P81-I120 HydrophobicContact CG-CD1 3.72Å; P81-I120 HydrophobicContact CG-CG1 4.08Å; L110-I120 HydrophobicContact CD1-CD1 3.61Å; I113-I120 HydrophobicContact CG1-CG2 4Å; I113-I120 HydrophobicContact CG2-CB 4.4Å; I113-I120 HydrophobicContact CG2-CD1 4.25Å; I113-I120 HydrophobicContact CG2-CG2 4.34Å; A114-I120 HydrophobicContact CB-CD1 3.69Å; E118-I120 WeakPolarHBondContact O-CG2 3.45Å; E118-I120 PolarHBondContact O-N 3.27Å; I120-V122 PolarHBondContact O-N 3.42Å; I120-A123 WeakPolarHBondContact O-CB 3.41Å; I120-A123 PolarHBondContact O-N 3.22Å; I120-A123 VanDerWaalsContact O-N 3.12Å; I120-C124 PolarHBondContact O-N 3.27Å; I120-C124 PolarHBondContact O-SG 2.78Å
121L96.9Very high93.4Very high3 Ų343.9 Ų43.92%0.01623%0.231CC..Hα-helixtrans-65.7-36.7-167.5-61.6176.8000113.2E11 L15 F52 V64 L66 P81 I83 A123 C124 I125E11-L121 HydrophobicContact CG-CB 4.21Å; E11-L121 HydrophobicContact CG-CD1 4.02Å; E11-L121 HydrophobicContact CG-CG 4.37Å; E11-L121 VanDerWaalsContact OE1-CB 3.29Å; E11-L121 WeakPolarHBondContact OE1-CB 3.03Å; E11-L121 WeakPolarHBondContact OE1-CG 3.23Å; E11-L121 PolarHBondContact OE1-N 2.83Å; L15-L121 HydrophobicContact CD1-CB 3.79Å; L15-L121 HydrophobicContact CD1-CD1 3.6Å; L15-L121 HydrophobicContact CD1-CG 4.39Å; F52-L121 HydrophobicContact CE1-CD1 4.46Å; F52-L121 HydrophobicContact CE2-CD1 4.48Å; F52-L121 HydrophobicContact CZ-CD1 3.62Å; V64-L121 HydrophobicContact CG1-CD1 4.47Å; V64-L121 HydrophobicContact CG1-CD2 3.83Å; L66-L121 HydrophobicContact CD1-CD1 4.09Å; L66-L121 HydrophobicContact CD2-CD1 4.08Å; L66-L121 HydrophobicContact CD2-CD2 4.28Å; P81-L121 HydrophobicContact CB-CD2 4.5Å; P81-L121 HydrophobicContact CG-CD2 4.5Å; I83-L121 HydrophobicContact CD1-CD2 3.97Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 3.46Å; L121-C124 WeakPolarHBondContact O-CB 3.2Å; L121-C124 PolarHBondContact O-N 2.95Å; L121-I125 VanDerWaalsContact O-CG1 3.3Å; L121-I125 WeakPolarHBondContact O-CG1 3.4Å; L121-I125 PolarHBondContact O-N 3.5Å
122V96Very high93.2Very high54 Ų5440.1 Ų40.133%0.32721%0.21SC..Hα-helixtrans-61.8-44.2174.8177.20000110.3L14 L15 M18 I120 C124 I125 D126L14-V122 HydrophobicContact CD2-CG2 3.69Å; L14-V122 HydrophobicContact CG-CG2 4.42Å; L15-V122 HydrophobicContact CD2-CG2 4.16Å; M18-V122 HydrophobicContact SD-CG2 4.45Å; I120-V122 PolarHBondContact O-N 3.42Å; V122-C124 VanDerWaalsContact C-N 3.33Å; V122-C124 PolarHBondContact O-N 3.43Å; V122-I125 PolarHBondContact O-N 2.97Å; V122-D126 PolarHBondContact O-N 3.33Å
123A95.9Very high92.7Very high35 Ų3541.2 Ų41.229%0.28922%0.215SC..Hα-helixtrans-64.4-38.2175.700000111.6W109 I113 I120 L121 I125 D126 W127W109-A123 VanDerWaalsContact CH2-C 3.43Å; W109-A123 HydrophobicContact CH2-CB 4.02Å; W109-A123 WeakPolarHBondContact CH2-O 3.32Å; W109-A123 HydrophobicContact CZ2-CB 4.22Å; I113-A123 HydrophobicContact CD1-CB 3.67Å; I120-A123 WeakPolarHBondContact O-CB 3.41Å; I120-A123 PolarHBondContact O-N 3.22Å; I120-A123 VanDerWaalsContact O-N 3.12Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 3.46Å; A123-I125 VanDerWaalsContact C-N 3.33Å; A123-I125 PolarHBondContact O-N 3.14Å; A123-D126 PolarHBondContact O-N 2.82Å; A123-W127 WeakPolarHBondContact O-CB 3.34Å; A123-W127 PolarHBondContact O-N 2.89Å
124C95.7Very high91.5Very high1 Ų143.9 Ų43.91%0.00723%0.23CC..Hα-helixtrans-59.4-46175.9-65.30000111.4F106 W109 L110 I120 L121 V122 L128F106-C124 HydrophobicContact CE2-CB 4.12Å; F106-C124 HydrophobicContact CZ-CB 4.26Å; W109-C124 HydrophobicContact CH2-CB 4.37Å; W109-C124 HydrophobicContact CZ3-CB 4.12Å; L110-C124 VanDerWaalsContact CD1-SG 3.51Å; I120-C124 PolarHBondContact O-N 3.27Å; I120-C124 PolarHBondContact O-SG 2.78Å; L121-C124 WeakPolarHBondContact O-CB 3.2Å; L121-C124 PolarHBondContact O-N 2.95Å; V122-C124 VanDerWaalsContact C-N 3.33Å; V122-C124 PolarHBondContact O-N 3.43Å; C124-L128 WeakPolarHBondContact O-CB 3.46Å; C124-L128 WeakPolarHBondContact O-CD1 3.41Å; C124-L128 WeakPolarHBondContact O-CG 3.08Å; C124-L128 PolarHBondContact O-N 3.06Å
125I95.4Very high90.1Very high4 Ų447 Ų472%0.02124%0.244CC..Hα-helixtrans-66.5-45.9-179.5-72169.2000110.9L15 F19 I54 L56 L121 V122 A123 L128 Q129L15-I125 HydrophobicContact CD1-CD1 4.4Å; L15-I125 HydrophobicContact CD2-CD1 3.34Å; L15-I125 HydrophobicContact CG-CD1 4.48Å; F19-I125 HydrophobicContact CE2-CD1 3.76Å; F19-I125 HydrophobicContact CE2-CG2 4.22Å; F19-I125 HydrophobicContact CZ-CD1 4.13Å; F19-I125 HydrophobicContact CZ-CG2 3.68Å; I54-I125 HydrophobicContact CD1-CD1 3.65Å; L56-I125 HydrophobicContact CD2-CG2 3.96Å; L121-I125 VanDerWaalsContact O-CG1 3.3Å; L121-I125 WeakPolarHBondContact O-CG1 3.4Å; L121-I125 PolarHBondContact O-N 3.5Å; V122-I125 PolarHBondContact O-N 2.97Å; A123-I125 VanDerWaalsContact C-N 3.33Å; A123-I125 PolarHBondContact O-N 3.14Å; I125-L128 PolarHBondContact O-N 3.18Å; I125-Q129 HydrophobicContact CG2-CG 4.34Å; I125-Q129 WeakPolarHBondContact O-CB 3.36Å; I125-Q129 VanDerWaalsContact O-CG 3.29Å; I125-Q129 WeakPolarHBondContact O-CG 3.46Å; I125-Q129 PolarHBondContact O-N 3.49Å
126D94.7Very high87.9Confident88 Ų8850.6 Ų50.647%0.47126%0.263SS..Hα-helixtrans-58.6-48.9176.8178.864.8000111.2V122 A123 L128 Q129 N130V122-D126 PolarHBondContact O-N 3.33Å; A123-D126 PolarHBondContact O-N 2.82Å; D126-L128 VanDerWaalsContact C-N 3.33Å; D126-L128 PolarHBondContact O-N 2.71Å; D126-Q129 PolarHBondContact O-N 2.83Å; D126-N130 WeakPolarHBondContact O-CB 3.35Å; D126-N130 VanDerWaalsContact O-CG 3.29Å; D126-N130 PolarHBondContact O-N 2.7Å; D126-N130 PolarHBondContact O-ND2 3.28Å; D126-N130 VanDerWaalsContact O-ND2 3.08Å; D126-N130 PolarHBondContact OD1-ND2 3.24Å; D126-N130 PolarHBondContact OD2-ND2 2.86Å
127W95.2Very high85.5Confident41 Ų4153.3 Ų53.316%0.15528%0.281CS..Hα-helixtrans-55.4-48.5177.3-173.293.1000111.7L102 R105 F106 W109 A123 N130 E131L102-W127 HydrophobicContact CD1-CZ3 4.25Å; R105-W127 VanDerWaalsContact C-CH2 3.49Å; R105-W127 HydrophobicContact CB-CH2 3.64Å; R105-W127 HydrophobicContact CB-CZ2 3.95Å; F106-W127 VanDerWaalsContact CA-CZ3 3.47Å; F106-W127 HydrophobicContact CB-CE3 4.32Å; F106-W127 HydrophobicContact CB-CH2 3.92Å; F106-W127 HydrophobicContact CB-CZ3 3.53Å; F106-W127 HydrophobicContact CD2-CD2 4.48Å; F106-W127 AromaticContact CD2-CE3 3.58Å; F106-W127 HydrophobicContact CD2-CE3 3.58Å; F106-W127 AromaticContact CD2-CZ3 3.67Å; F106-W127 HydrophobicContact CD2-CZ3 3.67Å; F106-W127 HydrophobicContact CE2-CE3 4.44Å; F106-W127 HydrophobicContact CG-CE3 4.44Å; F106-W127 HydrophobicContact CG-CZ3 4.09Å; W109-W127 HydrophobicContact CB-CZ2 4.2Å; W109-W127 AromaticContact CD1-CD1 3.53Å; W109-W127 AromaticContact CD1-NE1 3.46Å; W109-W127 HydrophobicContact CD2-CB 4.24Å; W109-W127 AromaticContact CD2-CD1 3.57Å; W109-W127 HydrophobicContact CD2-CD2 4.09Å; W109-W127 AromaticContact CD2-CG 3.69Å; W109-W127 HydrophobicContact CD2-CG 3.69Å; W109-W127 AromaticContact CD2-NE1 3.87Å; W109-W127 AromaticContact CE2-CD1 3.47Å; W109-W127 VanDerWaalsContact CE2-CD1 3.47Å; W109-W127 AromaticContact CE2-CG 3.78Å; W109-W127 HydrophobicContact CE3-CB 4.26Å; W109-W127 HydrophobicContact CE3-CD2 4.2Å; W109-W127 AromaticContact CE3-CG 3.98Å; W109-W127 HydrophobicContact CE3-CG 3.98Å; W109-W127 AromaticContact CG-CD1 3.63Å; W109-W127 HydrophobicContact CG-CD2 4.28Å; W109-W127 AromaticContact CG-CE2 3.88Å; W109-W127 HydrophobicContact CG-CG 4.13Å; W109-W127 AromaticContact CG-NE1 3.45Å; W109-W127 HydrophobicContact CH2-CB 4Å; W109-W127 HydrophobicContact CH2-CG 4.48Å; W109-W127 HydrophobicContact CZ2-CB 3.91Å; W109-W127 HydrophobicContact CZ2-CG 4.18Å; W109-W127 HydrophobicContact CZ3-CB 4.16Å; W109-W127 HydrophobicContact CZ3-CG 4.38Å; W109-W127 AromaticContact NE1-CD1 3.39Å; W109-W127 AromaticContact NE1-NE1 3.85Å; A123-W127 WeakPolarHBondContact O-CB 3.34Å; A123-W127 PolarHBondContact O-N 2.89Å; W127-N130 PolarHBondContact O-N 2.83Å; W127-E131 HydrophobicContact CD2-CG 3.97Å; W127-E131 HydrophobicContact CE3-CG 3.82Å; W127-E131 HydrophobicContact CH2-CG 3.56Å; W127-E131 HydrophobicContact CZ2-CG 3.71Å; W127-E131 HydrophobicContact CZ3-CB 4.28Å; W127-E131 HydrophobicContact CZ3-CG 3.62Å; W127-E131 WeakPolarHBondContact O-CG 3.35Å; W127-E131 PolarHBondContact O-N 3.29Å
128L93.2Very high83.2Confident0 Ų057.2 Ų57.20%030%0.301CS..Hα-helixtrans-65.5-41.2179.2-77.6160.8000112.7L56 L62 L85 L102 F106 C124 I125 D126 N130 E131 L132L56-L128 HydrophobicContact CD1-CB 3.85Å; L56-L128 HydrophobicContact CD1-CD1 3.97Å; L62-L128 HydrophobicContact CD1-CD1 3.51Å; L62-L128 HydrophobicContact CD2-CD1 3.51Å; L62-L128 HydrophobicContact CG-CD1 4Å; L85-L128 HydrophobicContact CD1-CD2 3.92Å; L85-L128 HydrophobicContact CD2-CD1 3.99Å; L85-L128 HydrophobicContact CD2-CD2 4.08Å; L102-L128 HydrophobicContact CD1-CD2 4.45Å; F106-L128 HydrophobicContact CB-CD2 4.45Å; F106-L128 HydrophobicContact CD2-CD1 4Å; F106-L128 HydrophobicContact CD2-CD2 3.72Å; F106-L128 HydrophobicContact CD2-CG 3.69Å; F106-L128 HydrophobicContact CE2-CD1 3.53Å; F106-L128 HydrophobicContact CE2-CD2 4.16Å; F106-L128 HydrophobicContact CE2-CG 3.7Å; F106-L128 HydrophobicContact CG-CD2 4.13Å; F106-L128 HydrophobicContact CZ-CD1 3.99Å; C124-L128 WeakPolarHBondContact O-CB 3.46Å; C124-L128 WeakPolarHBondContact O-CD1 3.41Å; C124-L128 WeakPolarHBondContact O-CG 3.08Å; C124-L128 PolarHBondContact O-N 3.06Å; I125-L128 PolarHBondContact O-N 3.18Å; D126-L128 VanDerWaalsContact C-N 3.33Å; D126-L128 PolarHBondContact O-N 2.71Å; L128-N130 VanDerWaalsContact C-N 3.27Å; L128-N130 PolarHBondContact O-N 3.34Å; L128-E131 PolarHBondContact O-N 3.23Å; L128-L132 VanDerWaalsContact O-CB 3.32Å; L128-L132 WeakPolarHBondContact O-CB 3.36Å; L128-L132 WeakPolarHBondContact O-CG 2.94Å; L128-L132 PolarHBondContact O-N 2.92Å
129Q91.2Very high80.3Confident56 Ų5657.3 Ų57.326%0.26231%0.308SS..Hα-helixtrans-64.5-34.3179-76.7-176.3-12.400112.2K57 I125 D126 F133K57-Q129 PolarHBondContact NZ-O 2.81Å; K57-Q129 VanDerWaalsContact NZ-O 3.07Å; I125-Q129 HydrophobicContact CG2-CG 4.34Å; I125-Q129 WeakPolarHBondContact O-CB 3.36Å; I125-Q129 VanDerWaalsContact O-CG 3.29Å; I125-Q129 WeakPolarHBondContact O-CG 3.46Å; I125-Q129 PolarHBondContact O-N 3.49Å; D126-Q129 PolarHBondContact O-N 2.83Å; Q129-F133 WeakPolarHBondContact O-CB 3.28Å; Q129-F133 PolarHBondContact O-N 3.38Å
130N91.3Very high77.5Confident73 Ų7361.6 Ų61.639%0.3933%0.329SS..Hα-helixtrans-70.3-46.1174.7-72.2-35.5000111.5D126 W127 L128 L132 F133 N134D126-N130 WeakPolarHBondContact O-CB 3.35Å; D126-N130 VanDerWaalsContact O-CG 3.29Å; D126-N130 PolarHBondContact O-N 2.7Å; D126-N130 PolarHBondContact O-ND2 3.28Å; D126-N130 VanDerWaalsContact O-ND2 3.08Å; D126-N130 PolarHBondContact OD1-ND2 3.24Å; D126-N130 PolarHBondContact OD2-ND2 2.86Å; W127-N130 PolarHBondContact O-N 2.83Å; L128-N130 VanDerWaalsContact C-N 3.27Å; L128-N130 PolarHBondContact O-N 3.34Å; N130-L132 PolarHBondContact O-N 2.92Å; N130-F133 PolarHBondContact O-N 3.14Å; N130-F133 VanDerWaalsContact O-N 3.14Å; N130-N134 WeakPolarHBondContact O-CB 3.25Å; N130-N134 VanDerWaalsContact O-CG 3.28Å; N130-N134 PolarHBondContact O-N 3.47Å; N130-N134 PolarHBondContact O-ND2 3.45Å
131E88.7Confident74.8Confident42 Ų4269.4 Ų69.420%0.19637%0.365CS..Hα-helixtrans-62-43.7175.8-72-73120.300112.1L102 R105 W127 L128 F133 N134 E135L102-E131 HydrophobicContact CD1-CB 3.87Å; R105-E131 IonicContact CZ-OE2 3.31Å; R105-E131 IonicContact NE-OE2 3.74Å; R105-E131 PolarHBondContact NE-OE2 3.34Å; R105-E131 IonicContact NH2-OE2 3.8Å; R105-E131 PolarHBondContact NH2-OE2 3.3Å; W127-E131 HydrophobicContact CD2-CG 3.97Å; W127-E131 HydrophobicContact CE3-CG 3.82Å; W127-E131 HydrophobicContact CH2-CG 3.56Å; W127-E131 HydrophobicContact CZ2-CG 3.71Å; W127-E131 HydrophobicContact CZ3-CB 4.28Å; W127-E131 HydrophobicContact CZ3-CG 3.62Å; W127-E131 WeakPolarHBondContact O-CG 3.35Å; W127-E131 PolarHBondContact O-N 3.29Å; L128-E131 PolarHBondContact O-N 3.23Å; E131-F133 PolarHBondContact O-N 3.15Å; E131-N134 PolarHBondContact O-N 3.29Å; E131-E135 WeakPolarHBondContact O-CG 3.3Å; E131-E135 PolarHBondContact O-N 2.9Å; E131-E135 VanDerWaalsContact O-N 3.11Å
132L85.2Confident72.2Confident6 Ų673.3 Ų73.33%0.03139%0.392CS..Hα-helixtrans-68.4-16177.1-69.5173.4000114L56 V60 I97 L102 L128 N130L56-L132 HydrophobicContact CB-CD1 4.48Å; V60-L132 HydrophobicContact CB-CD1 4.13Å; V60-L132 HydrophobicContact CG2-CD1 3.91Å; V60-L132 HydrophobicContact CG2-CD2 3.74Å; V60-L132 HydrophobicContact CG2-CG 4.43Å; I97-L132 HydrophobicContact CD1-CD2 3.95Å; L102-L132 HydrophobicContact CD2-CD2 3.87Å; L128-L132 VanDerWaalsContact O-CB 3.32Å; L128-L132 WeakPolarHBondContact O-CB 3.36Å; L128-L132 WeakPolarHBondContact O-CG 2.94Å; L128-L132 PolarHBondContact O-N 2.92Å; N130-L132 PolarHBondContact O-N 2.92Å
133F79.9Confident69.9Low152 Ų15273 Ų7367%0.66739%0.391SS*.Hα-helixtrans-89.6-39.2173.5-174.5-95.5000111.6Q129 N130 E131Q129-F133 WeakPolarHBondContact O-CB 3.28Å; Q129-F133 PolarHBondContact O-N 3.38Å; N130-F133 PolarHBondContact O-N 3.14Å; N130-F133 VanDerWaalsContact O-N 3.14Å; E131-F133 PolarHBondContact O-N 3.15Å
134N69.3Low67.3Low99 Ų9977.7 Ų77.753%0.52942%0.416SS..Hα-helixtrans-78.2-18.2-176.9-70.1-22.9000114.2N130 E131 L136N130-N134 WeakPolarHBondContact O-CB 3.25Å; N130-N134 VanDerWaalsContact O-CG 3.28Å; N130-N134 PolarHBondContact O-N 3.47Å; N130-N134 PolarHBondContact O-ND2 3.45Å; E131-N134 PolarHBondContact O-N 3.29Å; N134-L136 PolarHBondContact O-N 3.41Å
135E60.9Low64.8Low71 Ų7182.9 Ų82.933%0.33245%0.452SS..SBendtrans-69.480.5167.4-62.2-131.8166.600109.1R105 E131R105-E135 IonicContact CZ-OE1 2.96Å; R105-E135 IonicContact NH1-OE1 3.94Å; R105-E135 IonicContact NH2-OE1 3.15Å; R105-E135 PolarHBondContact NH2-OE1 3.15Å; E131-E135 WeakPolarHBondContact O-CG 3.3Å; E131-E135 PolarHBondContact O-N 2.9Å; E131-E135 VanDerWaalsContact O-N 3.11Å
136L45.8Very low62.4Low141 Ų14186.2 Ų86.274%0.73847%0.47SS*.  trans-53.7139.2173.6-82.9129.7000109.5N134 I138N134-L136 PolarHBondContact O-N 3.41Å; L136-I138 PolarHBondContact O-N 3.39Å
137P41.1Very low59.9Low108 Ų10885.9 Ų85.970%0.70147%0.474SS*.  trans-55.6130.4172.925.6-31.8000107.5T139P137-T139 PolarHBondContact O-N 3.22Å
138I44.7Very low57.6Low83 Ų8389.8 Ų89.843%0.42650%0.503SS..  trans-36.8109.7171.8-62.2164.8000107.2L136 N140 L234L136-I138 PolarHBondContact O-N 3.39Å; I138-N140 PolarHBondContact O-N 3.07Å; I138-L234 HydrophobicContact CD1-CD1 4.19Å
139T32.9Very low55.5Low96 Ų9693.2 Ų93.259%0.58953%0.526SS*.  trans-57131.8178.431.80000107.3P137 E141 S142P137-T139 PolarHBondContact O-N 3.22Å; T139-E141 PolarHBondContact O-N 3.25Å; T139-S142 PolarHBondContact O-N 2.8Å
140N37.5Very low53.5Low136 Ų13691.9 Ų91.973%0.72752%0.523SS*.G310 helixtrans-55.13-176.5-74.6-33.6000115.2I138 V143I138-N140 PolarHBondContact O-N 3.07Å; N140-V143 PolarHBondContact O-N 3.11Å
141E40Very low51.5Low169 Ų16993.5 Ų93.579%0.7953%0.531SS*.G310 helixtrans-78.3-16.7179.1-66.9-178162.100113.2T139T139-E141 PolarHBondContact O-N 3.25Å
142S42.6Very low49.7Very low84 Ų8498.4 Ų98.459%0.58756%0.558SS**G310 helixtrans-90.4-1.6169.8-59.60000114T139 L146T139-S142 PolarHBondContact O-N 2.8Å; S142-L146 WeakPolarHBondContact O-CD1 3.25Å
143V46.1Very low48.3Very low49 Ų49101.2 Ų101.230%0.29757%0.573SS.*  trans-91.1-9.3-173.7-1770000112.6N140 S145 L146N140-V143 PolarHBondContact O-N 3.11Å; V143-S145 PolarHBondContact O-N 2.63Å; V143-L146 PolarHBondContact O-N 2.92Å
144T41Very low47.4Very low132 Ų13297.9 Ų97.981%0.8156%0.562SS**THydrogen-bonded Turntrans-70.4-5.1-175.1-370000114.3
145S44.4Very low47.7Very low110 Ų11099.4 Ų99.477%0.76957%0.57SS**THydrogen-bonded Turntrans-1168177.460.40000115.3V143V143-S145 PolarHBondContact O-N 2.63Å
146L45.9Very low48.7Very low75 Ų7598.7 Ų98.739%0.39357%0.567SS.*SBendtrans-103.4121-179.3-66.4112.5000111.9S142 V143 S150S142-L146 WeakPolarHBondContact O-CD1 3.25Å; V143-L146 PolarHBondContact O-N 2.92Å; L146-S150 WeakPolarHBondContact CB-OG 3.43Å
147S42.1Very low50.7Low81 Ų8193.9 Ų93.957%0.56654%0.54SS*.  trans-50.9144.3174.948.30000112S149 S150S147-S149 PolarHBondContact O-N 2.71Å; S147-S149 PolarHBondContact O-OG 3.49Å; S147-S149 PolarHBondContact OG-OG 3.49Å; S147-S150 PolarHBondContact O-N 3.13Å; S147-S150 PolarHBondContact O-OG 3.45Å
148T45.8Very low53.1Low123 Ų12388.9 Ų88.976%0.75551%0.508SS*.THydrogen-bonded Turntrans-45.2-16.2-180-40.50000115.7
149S48.7Very low55.5Low71 Ų7185 Ų8550%0.49749%0.487SS..THydrogen-bonded Turntrans-68.4-30.5171.247.50000114.9S147 I151 L152S147-S149 PolarHBondContact O-N 2.71Å; S147-S149 PolarHBondContact O-OG 3.49Å; S147-S149 PolarHBondContact OG-OG 3.49Å; S149-I151 VanDerWaalsContact C-N 3.35Å; S149-I151 PolarHBondContact O-N 2.88Å; S149-L152 PolarHBondContact O-N 3.36Å
150S49Very low58.4Low29 Ų2980.4 Ų80.420%0.20346%0.459CS..G310 helixtrans-75.4-21.6-174.163.10000114.1L146 S147 L152L146-S150 WeakPolarHBondContact CB-OG 3.43Å; S147-S150 PolarHBondContact O-N 3.13Å; S147-S150 PolarHBondContact O-OG 3.45Å; S150-L152 VanDerWaalsContact C-N 3.27Å
151I49.7Very low61.2Low107 Ų10773.9 Ų73.955%0.54943%0.425SS..G310 helixtrans-76-19.2178.1-60173.7000111S149S149-I151 VanDerWaalsContact C-N 3.35Å; S149-I151 PolarHBondContact O-N 2.88Å
152L50.5Low63.9Low145 Ų14565.9 Ų65.976%0.75939%0.387SS*.G310 helixtrans-80.9-15.4179.3-66.5171000113.3S149 S150 N154S149-L152 PolarHBondContact O-N 3.36Å; S150-L152 VanDerWaalsContact C-N 3.27Å; L152-N154 PolarHBondContact O-N 3.29Å
153N56Low66.5Low64 Ų6461.9 Ų61.934%0.34236%0.359SS..  trans-10031.1-169.8-74.93.9000113.9N155 E156N153-N155 PolarHBondContact O-N 2.95Å; N153-E156 HydrophobicContact CB-CB 4.43Å; N153-E156 VanDerWaalsContact CB-CD 3.46Å; N153-E156 HydrophobicContact CB-CG 3.77Å; N153-E156 WeakPolarHBondContact CB-OE2 3.43Å; N153-E156 VanDerWaalsContact CG-OE1 3.25Å; N153-E156 PolarHBondContact ND2-OE1 3.37Å; N153-E156 PolarHBondContact ND2-OE2 2.99Å; N153-E156 PolarHBondContact O-N 3.12Å; N153-E156 VanDerWaalsContact O-N 3.08Å
154N62Low68.8Low83 Ų8360.2 Ų60.244%0.44435%0.349SS..THydrogen-bonded Turntrans-60.6-16.8-177-80.9-8.2000114.5L95 L152 I232L95-N154 HydrophobicContact CD1-CB 3.95Å; L95-N154 WeakPolarHBondContact CD1-O 3.41Å; L152-N154 PolarHBondContact O-N 3.29Å; N154-I232 WeakPolarHBondContact O-CG2 3.45Å
155N74.9Confident71.4Confident131 Ų13154.1 Ų54.170%0.70131%0.311SS*.THydrogen-bonded Turntrans-105.93.7179.8-69.4-2.5000113.8N153 K157N153-N155 PolarHBondContact O-N 2.95Å; N155-K157 PolarHBondContact O-N 3.45Å
156E82.2Confident73.7Confident56 Ų5651.2 Ų51.226%0.26229%0.285SS..PPolyproline II helixtrans-67.8119.7177-73.8-173.4159.200110.3N153 G233 R236N153-E156 HydrophobicContact CB-CB 4.43Å; N153-E156 VanDerWaalsContact CB-CD 3.46Å; N153-E156 HydrophobicContact CB-CG 3.77Å; N153-E156 WeakPolarHBondContact CB-OE2 3.43Å; N153-E156 VanDerWaalsContact CG-OE1 3.25Å; N153-E156 PolarHBondContact ND2-OE1 3.37Å; N153-E156 PolarHBondContact ND2-OE2 2.99Å; N153-E156 PolarHBondContact O-N 3.12Å; N153-E156 VanDerWaalsContact O-N 3.08Å; E156-G233 PolarHBondContact O-N 2.85Å; E156-R236 IonicContact OE2-NH2 2.82Å
157K88.3Confident76Confident39 Ų3949.8 Ų49.817%0.1728%0.277CS..EExtended strand (participates in β ladder)trans-97.3141.5176.7-52.7-174.4-161.5155.80109.7S89 N155 V159 E204 I229 I232S89-K157 VanDerWaalsContact CB-NZ 3.32Å; S89-K157 PolarHBondContact OG-NZ 2.75Å; N155-K157 PolarHBondContact O-N 3.45Å; K157-V159 HydrophobicContact CB-CG1 4.21Å; K157-E204 HydrophobicContact CB-CB 4.08Å; K157-E204 VanDerWaalsContact CD-OE2 3.31Å; K157-E204 WeakPolarHBondContact CD-OE2 3.36Å; K157-E204 IonicContact NZ-OE2 3.81Å; K157-E204 PolarHBondContact O-N 2.78Å; K157-I229 HydrophobicContact CB-CG2 4.5Å; K157-I229 HydrophobicContact CD-CD1 4.44Å; K157-I229 HydrophobicContact CD-CG1 4.48Å; K157-I229 HydrophobicContact CD-CG2 4.39Å; K157-I232 HydrophobicContact CD-CD1 4.22Å; K157-I232 HydrophobicContact CG-CD1 4.03Å; K157-I232 HydrophobicContact CG-CG1 4.11Å
158T91.7Very high78.5Confident4 Ų446 Ų463%0.02525%0.25CC..EExtended strand (participates in β ladder)trans-99.6131.5162.6-55.20000108G202 L230 G231 Y235T158-G202 CarbonylContact C-O 3.32Å; T158-G202 WeakPolarHBondContact CA-O 3.35Å; T158-L230 HydrophobicContact CG2-CB 4.5Å; T158-L230 HydrophobicContact CG2-CD1 4.06Å; T158-L230 WeakPolarHBondContact O-CB 3.22Å; T158-L230 PolarHBondContact O-N 3.16Å; T158-G231 PolarHBondContact N-O 3Å; T158-G231 PolarHBondContact O-N 2.77Å; T158-Y235 VanDerWaalsContact CB-CD1 3.44Å; T158-Y235 HydrophobicContact CG2-CD1 3.78Å; T158-Y235 HydrophobicContact CG2-CE1 3.89Å; T158-Y235 PolarHBondContact OG1-O 3.44Å; T158-Y235 VanDerWaalsContact OG1-O 3.06Å
159V93.6Very high80.8Confident0 Ų048 Ų480%024%0.244CC..EExtended strand (participates in β ladder)trans-128.5159.3-172.3-58.80000111.8K157 L161 E201 G202 E204 A207 E228 I229K157-V159 HydrophobicContact CB-CG1 4.21Å; V159-L161 HydrophobicContact CG2-CD2 4.16Å; V159-E201 VanDerWaalsContact O-CA 3.27Å; V159-E201 WeakPolarHBondContact O-CA 3.13Å; V159-G202 PolarHBondContact N-O 2.98Å; V159-G202 PolarHBondContact O-N 3.32Å; V159-G202 VanDerWaalsContact O-N 3.1Å; V159-E204 HydrophobicContact CG1-CB 3.94Å; V159-E204 HydrophobicContact CG1-CG 4.14Å; V159-E204 HydrophobicContact CG2-CB 4.33Å; V159-A207 HydrophobicContact CG2-CB 3.61Å; V159-E228 CarbonylContact C-O 3.57Å; V159-E228 WeakPolarHBondContact CA-O 3.36Å; V159-E228 VanDerWaalsContact CB-O 3.32Å; V159-E228 WeakPolarHBondContact CB-O 3.48Å; V159-I229 HydrophobicContact CG1-CG1 4.41Å
160C94.8Very high82.9Confident0 Ų046.4 Ų46.40%023%0.233CC..EExtended strand (participates in β ladder)trans-117.8123164.8179.10000109.1W162 I199 V200 E201 E228 L230C160-W162 PolarHBondContact SG-NE1 2.74Å; C160-I199 VanDerWaalsContact SG-CG2 3.54Å; C160-V200 CarbonylContact C-O 3.6Å; C160-V200 VanDerWaalsContact CA-O 3.27Å; C160-V200 WeakPolarHBondContact CA-O 3.49Å; C160-E201 HydrophobicContact CB-CG 3.91Å; C160-E228 HydrophobicContact CB-CB 4.16Å; C160-E228 PolarHBondContact N-O 3.33Å; C160-E228 PolarHBondContact O-N 3.48Å; C160-L230 HydrophobicContact CB-CD1 4.01Å; C160-L230 HydrophobicContact CB-CD2 3.94Å; C160-L230 HydrophobicContact CB-CG 4.15Å
161L97Very high85.1Confident0 Ų050 Ų500%026%0.255CS..EExtended strand (participates in β ladder)trans-101.4127.7174.5-49.8-175.2000110.1V159 I163 I199 V200 A207 W211 L224 K227V159-L161 HydrophobicContact CG2-CD2 4.16Å; L161-I163 HydrophobicContact CB-CD1 4.2Å; L161-I163 HydrophobicContact CB-CG1 4.31Å; L161-I199 WeakPolarHBondContact O-CA 3.4Å; L161-V200 HydrophobicContact CB-CG2 3.58Å; L161-V200 HydrophobicContact CD1-CG2 3.88Å; L161-V200 HydrophobicContact CG-CG2 3.85Å; L161-V200 PolarHBondContact N-O 3.12Å; L161-V200 PolarHBondContact O-N 2.9Å; L161-V200 VanDerWaalsContact O-N 3.12Å; L161-A207 HydrophobicContact CD1-CB 3.88Å; L161-A207 VanDerWaalsContact CD1-O 3.32Å; L161-A207 WeakPolarHBondContact CD1-O 3.45Å; L161-A207 HydrophobicContact CG-CB 4.12Å; L161-W211 HydrophobicContact CD1-CB 3.91Å; L161-L224 HydrophobicContact CB-CD1 3.73Å; L161-L224 HydrophobicContact CD2-CD1 4.21Å; L161-L224 HydrophobicContact CG-CD1 4.4Å; L161-K227 HydrophobicContact CD2-CB 3.84Å; L161-K227 HydrophobicContact CD2-CD 3.87Å; L161-K227 HydrophobicContact CD2-CG 3.52Å
162W96.2Very high87.4Confident0 Ų050 Ų500%026%0.255CS..EExtended strand (participates in β ladder)trans-104107.1174.1-66.392000109.9C160 L197 I199 R225 E226 E228 L258 V263 I271 F272C160-W162 PolarHBondContact SG-NE1 2.74Å; W162-L197 HydrophobicContact CE3-CD1 4.36Å; W162-I199 HydrophobicContact CD2-CG1 4.33Å; W162-I199 HydrophobicContact CD2-CG2 4.3Å; W162-I199 HydrophobicContact CE3-CD1 3.71Å; W162-I199 HydrophobicContact CE3-CG1 3.61Å; W162-I199 HydrophobicContact CE3-CG2 4.36Å; W162-I199 HydrophobicContact CH2-CD1 3.67Å; W162-I199 HydrophobicContact CH2-CG1 4.39Å; W162-I199 HydrophobicContact CZ2-CG2 4.44Å; W162-I199 HydrophobicContact CZ3-CD1 3.18Å; W162-I199 HydrophobicContact CZ3-CG1 3.68Å; W162-I199 HydrophobicContact CZ3-CG2 4.49Å; W162-R225 HydrophobicContact CB-CB 4.43Å; W162-R225 WeakPolarHBondContact O-CB 3.11Å; W162-R225 PolarHBondContact O-N 2.89Å; W162-E226 HydrophobicContact CB-CB 4.21Å; W162-E226 HydrophobicContact CG-CB 4.44Å; W162-E226 PolarHBondContact N-O 3.3Å; W162-E226 PolarHBondContact O-N 2.88Å; W162-E228 PolarHBondContact NE1-OE1 3.15Å; W162-L258 HydrophobicContact CH2-CD1 4.43Å; W162-L258 HydrophobicContact CH2-CD2 4.35Å; W162-L258 HydrophobicContact CZ3-CD1 4.22Å; W162-V263 HydrophobicContact CH2-CG1 4Å; W162-V263 HydrophobicContact CH2-CG2 3.89Å; W162-V263 HydrophobicContact CZ2-CG1 4.42Å; W162-V263 HydrophobicContact CZ2-CG2 4.2Å; W162-I271 HydrophobicContact CB-CG2 4Å; W162-I271 HydrophobicContact CD2-CD1 3.41Å; W162-I271 VanDerWaalsContact CD2-CD1 3.41Å; W162-I271 HydrophobicContact CD2-CG1 4.08Å; W162-I271 HydrophobicContact CD2-CG2 4.07Å; W162-I271 HydrophobicContact CE3-CD1 3.71Å; W162-I271 HydrophobicContact CE3-CG1 4.44Å; W162-I271 HydrophobicContact CE3-CG2 3.84Å; W162-I271 HydrophobicContact CG-CD1 3.94Å; W162-I271 HydrophobicContact CG-CG1 4.15Å; W162-I271 HydrophobicContact CG-CG2 4.15Å; W162-I271 HydrophobicContact CH2-CD1 3.69Å; W162-I271 HydrophobicContact CZ2-CD1 3.4Å; W162-I271 HydrophobicContact CZ3-CD1 3.82Å; W162-F272 HydrophobicContact CE3-CE2 4.37Å; W162-F272 HydrophobicContact CE3-CZ 4.3Å; W162-F272 HydrophobicContact CZ3-CE2 4.07Å; W162-F272 HydrophobicContact CZ3-CZ 4.26Å
163I97.2Very high89.6Confident1 Ų144.6 Ų44.61%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-115.3123.2-172.5-60.2157.4000109.5L161 V198 V200 W211 L214 I222 Q223 L224L161-I163 HydrophobicContact CB-CD1 4.2Å; L161-I163 HydrophobicContact CB-CG1 4.31Å; I163-V198 HydrophobicContact CB-CB 4.14Å; I163-V198 HydrophobicContact CD1-CG1 4.48Å; I163-V198 PolarHBondContact N-O 3.19Å; I163-V198 PolarHBondContact O-N 3.04Å; I163-V200 HydrophobicContact CD1-CG2 4.43Å; I163-W211 HydrophobicContact CD1-CD2 4.39Å; I163-W211 HydrophobicContact CD1-CE3 3.71Å; I163-W211 HydrophobicContact CD1-CZ3 4.31Å; I163-W211 HydrophobicContact CG1-CE3 3.98Å; I163-W211 HydrophobicContact CG1-CZ3 4.2Å; I163-W211 HydrophobicContact CG2-CE3 4.08Å; I163-W211 HydrophobicContact CG2-CH2 4.29Å; I163-W211 HydrophobicContact CG2-CZ3 3.52Å; I163-L214 HydrophobicContact CD1-CD2 3.97Å; I163-L214 HydrophobicContact CG2-CD2 3.92Å; I163-I222 HydrophobicContact CG2-CD1 3.87Å; I163-I222 HydrophobicContact CG2-CG1 3.82Å; I163-Q223 WeakPolarHBondContact CA-O 3.33Å; I163-L224 HydrophobicContact CG1-CD1 3.73Å
164I94.7Very high91.5Very high14 Ų1445 Ų457%0.07222%0.223CC..EExtended strand (participates in β ladder)trans-111129.9179.1-61.3-169.7000109.7P195 L197 I222 Q223 R225 F272I164-P195 HydrophobicContact CG2-CB 3.79Å; I164-P195 HydrophobicContact CG2-CG 4.47Å; I164-L197 HydrophobicContact CG1-CD1 4.11Å; I164-I222 CarbonylContact O-C 3.51Å; I164-I222 WeakPolarHBondContact O-CA 3.45Å; I164-Q223 HydrophobicContact CB-CG 4.23Å; I164-Q223 PolarHBondContact N-O 2.79Å; I164-Q223 PolarHBondContact O-N 3.32Å; I164-R225 HydrophobicContact CB-CG 3.97Å; I164-R225 HydrophobicContact CD1-CG 3.44Å; I164-R225 VanDerWaalsContact CD1-CG 3.44Å; I164-R225 HydrophobicContact CG1-CB 4.5Å; I164-R225 HydrophobicContact CG1-CG 3.52Å; I164-F272 HydrophobicContact CD1-CD1 3.68Å; I164-F272 HydrophobicContact CD1-CE1 3.57Å; I164-F272 HydrophobicContact CG1-CE1 4.25Å
165S94.8Very high93.2Very high4 Ų447.5 Ų47.53%0.02823%0.226CC..EExtended strand (participates in β ladder)trans-118164.2174.170.20000111.3H167 I168 P195 G196 H221S165-H167 VanDerWaalsContact C-N 3.28Å; S165-H167 PolarHBondContact O-N 3.3Å; S165-I168 WeakPolarHBondContact OG-CG1 3.38Å; S165-P195 WeakPolarHBondContact O-CA 3.39Å; S165-P195 WeakPolarHBondContact O-CB 3.32Å; S165-G196 PolarHBondContact N-O 3.26Å; S165-G196 PolarHBondContact O-N 3.04Å; S165-G196 WeakPolarHBondContact OG-CA 3.3Å; S165-G196 PolarHBondContact OG-O 3.15Å; S165-H221 CarbonylContact C-O 3.49Å; S165-H221 WeakPolarHBondContact CA-O 3.28Å
166H93.5Very high94.3Very high49 Ų4942.6 Ų42.623%0.22720%0.199CC..SBendtrans-58.8-41173.3-167.770000112.3K220 H221H166-K220 HydrophobicContact CB-CB 4.26Å; H166-H221 HydrophobicContact CB-CB 4.29Å; H166-H221 PolarHBondContact N-O 2.89Å
167H93.7Very high95.1Very high45 Ų4539.9 Ų39.921%0.20819%0.187CC..  trans-174.1159170.355.753.5000111.4S165 R169 G193S165-H167 VanDerWaalsContact C-N 3.28Å; S165-H167 PolarHBondContact O-N 3.3Å; H167-R169 HydrophobicContact CB-CG 4.28Å; H167-G193 WeakPolarHBondContact CA-O 3.37Å; H167-G193 WeakPolarHBondContact CB-O 3.43Å
168I94.8Very high95.5Very high1 Ų140.1 Ų40.11%0.00519%0.189CC..  trans-113.872174.8-50.2164.8000110.2S165 R174 I177 Y190 P192 V198 W219S165-I168 WeakPolarHBondContact OG-CG1 3.38Å; I168-R174 HydrophobicContact CG2-CG 3.82Å; I168-R174 PolarHBondContact O-NE 3.36Å; I168-R174 PolarHBondContact O-NH2 2.94Å; I168-I177 HydrophobicContact CD1-CD1 4.26Å; I168-I177 HydrophobicContact CG2-CD1 3.75Å; I168-Y190 HydrophobicContact CD1-CD2 4.05Å; I168-Y190 HydrophobicContact CG2-CD2 4.32Å; I168-Y190 HydrophobicContact CG2-CE2 4.36Å; I168-P192 WeakPolarHBondContact O-CB 3.42Å; I168-V198 HydrophobicContact CD1-CG2 3.74Å; I168-W219 HydrophobicContact CG1-CH2 4.15Å; I168-W219 HydrophobicContact CG1-CZ3 4.05Å
169R92.8Very high95.8Very high164 Ų16443.8 Ų43.862%0.61921%0.206SC*.  trans-90.7-34.7-178.5-71.5-179.2177.4174.9-4.1114.6H167 P171H167-R169 HydrophobicContact CB-CG 4.28Å; R169-P171 WeakPolarHBondContact O-CD 3Å
170S94.3Very high96Very high39 Ų3945.5 Ų45.527%0.27321%0.213SC..  trans-66.2123.7-173.1170.70000110.9I172 K173 R174S170-I172 PolarHBondContact O-N 2.74Å; S170-I172 PolarHBondContact OG-N 3.41Å; S170-K173 PolarHBondContact O-N 3.22Å; S170-K173 VanDerWaalsContact O-N 3.08Å; S170-K173 PolarHBondContact OG-N 3.18Å; S170-R174 PolarHBondContact O-N 3.3Å; S170-R174 VanDerWaalsContact O-N 3.1Å
171P95.3Very high96.2Very high103 Ų10345.5 Ų45.567%0.66921%0.213SC*.Hα-helixtrans-56.8-36.1174.9-25.934.9000112.7R169 K173 R174 R175R169-P171 WeakPolarHBondContact O-CD 3Å; P171-K173 PolarHBondContact O-N 3.42Å; P171-R174 PolarHBondContact O-N 2.95Å; P171-R175 WeakPolarHBondContact O-CB 3.28Å; P171-R175 PolarHBondContact O-N 2.83Å
172I96.5Very high96.2Very high108 Ų10852.9 Ų52.955%0.55425%0.245SC*.Hα-helixtrans-60.9-46.5176-65.3162.1000110.6S170 R175 L176S170-I172 PolarHBondContact O-N 2.74Å; S170-I172 PolarHBondContact OG-N 3.41Å; I172-R175 PolarHBondContact O-N 3.06Å; I172-L176 HydrophobicContact CG2-CD1 3.94Å; I172-L176 HydrophobicContact CG2-CG 4.42Å; I172-L176 WeakPolarHBondContact O-CG 3.39Å; I172-L176 PolarHBondContact O-N 3.17Å
173K97.1Very high96.2Very high31 Ų3158.3 Ų58.314%0.13527%0.27CS..Hα-helixtrans-63.6-43.5178.9-66.3-179.1-177.1161.60112S170 P171 R175 L176 I177 L217 Q218 W219S170-K173 PolarHBondContact O-N 3.22Å; S170-K173 VanDerWaalsContact O-N 3.08Å; S170-K173 PolarHBondContact OG-N 3.18Å; P171-K173 PolarHBondContact O-N 3.42Å; K173-R175 VanDerWaalsContact C-N 3.32Å; K173-R175 PolarHBondContact O-N 2.84Å; K173-L176 PolarHBondContact O-N 3.33Å; K173-I177 WeakPolarHBondContact O-CB 3.37Å; K173-I177 WeakPolarHBondContact O-CD1 3.37Å; K173-I177 VanDerWaalsContact O-CG1 3.23Å; K173-I177 WeakPolarHBondContact O-CG1 3.49Å; K173-I177 PolarHBondContact O-N 3.24Å; K173-L217 HydrophobicContact CG-CD1 4.17Å; K173-Q218 WeakPolarHBondContact CE-O 3.48Å; K173-Q218 PolarHBondContact NZ-O 3.14Å; K173-W219 HydrophobicContact CD-CE3 4.3Å; K173-W219 HydrophobicContact CD-CH2 3.76Å; K173-W219 HydrophobicContact CD-CZ2 3.97Å; K173-W219 HydrophobicContact CD-CZ3 3.93Å
174R97.1Very high96.3Very high74 Ų7459.1 Ų59.128%0.27928%0.275SS..Hα-helixtrans-58.1-45.6177.3-69.5-167-169.5-177.99111.7I168 S170 P171 I177 L178 Y190 P192 E246I168-R174 HydrophobicContact CG2-CG 3.82Å; I168-R174 PolarHBondContact O-NE 3.36Å; I168-R174 PolarHBondContact O-NH2 2.94Å; S170-R174 PolarHBondContact O-N 3.3Å; S170-R174 VanDerWaalsContact O-N 3.1Å; P171-R174 PolarHBondContact O-N 2.95Å; R174-I177 PolarHBondContact O-N 2.89Å; R174-L178 PolarHBondContact O-N 2.89Å; R174-Y190 HydrophobicContact CB-CE2 4.26Å; R174-Y190 WeakPolarHBondContact CB-OH 3.43Å; R174-Y190 HydrophobicContact CG-CE2 3.85Å; R174-P192 VanDerWaalsContact NH2-CB 3.34Å; R174-E246 IonicContact CZ-OE1 3.19Å; R174-E246 IonicContact NH1-OE1 3.85Å; R174-E246 PolarHBondContact NH1-OE1 3Å; R174-E246 VanDerWaalsContact NH1-OE1 3.15Å
175R97.3Very high96.4Very high135 Ų13564.4 Ų64.451%0.50930%0.299SS..Hα-helixtrans-59.3-50.6174.6-173.9-179.569.8112.6-7111.9P171 I172 K173 I177 L178 E179P171-R175 WeakPolarHBondContact O-CB 3.28Å; P171-R175 PolarHBondContact O-N 2.83Å; I172-R175 PolarHBondContact O-N 3.06Å; K173-R175 VanDerWaalsContact C-N 3.32Å; K173-R175 PolarHBondContact O-N 2.84Å; R175-I177 PolarHBondContact O-N 3.32Å; R175-L178 PolarHBondContact O-N 3.34Å; R175-E179 WeakPolarHBondContact CD-OE1 3.39Å; R175-E179 HydrophobicContact CG-CG 4.22Å; R175-E179 VanDerWaalsContact CG-OE1 3.24Å; R175-E179 WeakPolarHBondContact CG-OE1 2.9Å; R175-E179 IonicContact CZ-OE1 3.59Å; R175-E179 IonicContact CZ-OE2 3.76Å; R175-E179 IonicContact NE-OE1 3.21Å; R175-E179 IonicContact NH1-OE1 2.76Å; R175-E179 PolarHBondContact NH1-OE1 2.87Å; R175-E179 IonicContact NH1-OE2 3.98Å; R175-E179 WeakPolarHBondContact O-CB 3.21Å; R175-E179 WeakPolarHBondContact O-CG 3.35Å; R175-E179 PolarHBondContact O-N 2.8Å
176L98Very high96.5Very high27 Ų2764.6 Ų64.614%0.14130%0.299CS..Hα-helixtrans-63.8-37.9-179.1-68.6173.9000112.9I172 K173 L178 E179 W180 L217I172-L176 HydrophobicContact CG2-CD1 3.94Å; I172-L176 HydrophobicContact CG2-CG 4.42Å; I172-L176 WeakPolarHBondContact O-CG 3.39Å; I172-L176 PolarHBondContact O-N 3.17Å; K173-L176 PolarHBondContact O-N 3.33Å; L176-L178 VanDerWaalsContact C-N 3.32Å; L176-L178 PolarHBondContact O-N 3.08Å; L176-E179 PolarHBondContact O-N 3.42Å; L176-W180 HydrophobicContact CB-CD2 4.23Å; L176-W180 HydrophobicContact CB-CE3 4.18Å; L176-W180 HydrophobicContact CB-CH2 4.06Å; L176-W180 HydrophobicContact CB-CZ2 4.06Å; L176-W180 HydrophobicContact CB-CZ3 4.09Å; L176-W180 HydrophobicContact CD1-CH2 4.01Å; L176-W180 HydrophobicContact CD1-CZ2 4.04Å; L176-W180 HydrophobicContact CD2-CZ2 3.9Å; L176-W180 HydrophobicContact CG-CH2 4.46Å; L176-W180 HydrophobicContact CG-CZ2 4.22Å; L176-W180 WeakPolarHBondContact O-CB 3.38Å; L176-W180 VanDerWaalsContact O-CG 3.25Å; L176-W180 PolarHBondContact O-N 2.86Å; L176-L217 HydrophobicContact CD1-CD1 4.2Å; L176-L217 HydrophobicContact CD1-CD2 3.78Å
177I98.1Very high96.7Very high0 Ų063 Ų630%029%0.293CS..Hα-helixtrans-56.2-46.4173.5-78.5166.4000110.7I168 K173 R174 R175 S181 Y190 V198 Y210 L214 W219 F244I168-I177 HydrophobicContact CD1-CD1 4.26Å; I168-I177 HydrophobicContact CG2-CD1 3.75Å; K173-I177 WeakPolarHBondContact O-CB 3.37Å; K173-I177 WeakPolarHBondContact O-CD1 3.37Å; K173-I177 VanDerWaalsContact O-CG1 3.23Å; K173-I177 WeakPolarHBondContact O-CG1 3.49Å; K173-I177 PolarHBondContact O-N 3.24Å; R174-I177 PolarHBondContact O-N 2.89Å; R175-I177 PolarHBondContact O-N 3.32Å; I177-S181 WeakPolarHBondContact O-CB 3.45Å; I177-S181 PolarHBondContact O-N 3.29Å; I177-S181 PolarHBondContact O-OG 2.88Å; I177-Y190 HydrophobicContact CD1-CD2 4.49Å; I177-Y190 HydrophobicContact CG2-CD1 3.54Å; I177-Y190 HydrophobicContact CG2-CD2 4.3Å; I177-Y190 HydrophobicContact CG2-CE1 3.96Å; I177-Y190 HydrophobicContact CG2-CG 3.67Å; I177-V198 HydrophobicContact CD1-CG2 4.23Å; I177-Y210 WeakPolarHBondContact CG2-OH 3.42Å; I177-Y210 PolarHBondContact O-OH 3.44Å; I177-L214 HydrophobicContact CD1-CD1 4.15Å; I177-L214 HydrophobicContact CG1-CD1 3.65Å; I177-W219 HydrophobicContact CD1-CH2 4.5Å; I177-F244 HydrophobicContact CG2-CE1 3.76Å; I177-F244 HydrophobicContact CG2-CZ 4.24Å
178L97.2Very high96.8Very high43 Ų4360.9 Ų60.923%0.22528%0.284CS..Hα-helixtrans-72.5-40.6177.9-73168.1000112.9R174 R175 L176 S181 K182 Y190 F244R174-L178 PolarHBondContact O-N 2.89Å; R175-L178 PolarHBondContact O-N 3.34Å; L176-L178 VanDerWaalsContact C-N 3.32Å; L176-L178 PolarHBondContact O-N 3.08Å; L178-S181 WeakPolarHBondContact CA-OG 3.25Å; L178-S181 PolarHBondContact O-OG 3.03Å; L178-K182 WeakPolarHBondContact O-CG 3.23Å; L178-K182 PolarHBondContact O-N 2.98Å; L178-Y190 HydrophobicContact CD1-CE1 4.09Å; L178-Y190 HydrophobicContact CD2-CE1 3.88Å; L178-Y190 HydrophobicContact CG-CE1 3.76Å; L178-F244 HydrophobicContact CD2-CD1 4.05Å
179E97.7Very high96.9Very high81 Ų8160.9 Ų60.938%0.37928%0.283SS..Hα-helixtrans-64.3-48.5179.4-75.9173.6176.800111.1R175 L176 K182 E183R175-E179 WeakPolarHBondContact CD-OE1 3.39Å; R175-E179 HydrophobicContact CG-CG 4.22Å; R175-E179 VanDerWaalsContact CG-OE1 3.24Å; R175-E179 WeakPolarHBondContact CG-OE1 2.9Å; R175-E179 IonicContact CZ-OE1 3.59Å; R175-E179 IonicContact CZ-OE2 3.76Å; R175-E179 IonicContact NE-OE1 3.21Å; R175-E179 IonicContact NH1-OE1 2.76Å; R175-E179 PolarHBondContact NH1-OE1 2.87Å; R175-E179 IonicContact NH1-OE2 3.98Å; R175-E179 WeakPolarHBondContact O-CB 3.21Å; R175-E179 WeakPolarHBondContact O-CG 3.35Å; R175-E179 PolarHBondContact O-N 2.8Å; L176-E179 PolarHBondContact O-N 3.42Å; E179-K182 PolarHBondContact O-N 3.2Å; E179-E183 WeakPolarHBondContact O-CB 3.28Å; E179-E183 PolarHBondContact O-N 3.07Å
180W98.5Very high97.1Very high37 Ų3753 Ų5314%0.1425%0.254CS..Hα-helixtrans-72-30.3-177.8-63.1-26.5000113.7L176 L184 Y210 R213 L217L176-W180 HydrophobicContact CB-CD2 4.23Å; L176-W180 HydrophobicContact CB-CE3 4.18Å; L176-W180 HydrophobicContact CB-CH2 4.06Å; L176-W180 HydrophobicContact CB-CZ2 4.06Å; L176-W180 HydrophobicContact CB-CZ3 4.09Å; L176-W180 HydrophobicContact CD1-CH2 4.01Å; L176-W180 HydrophobicContact CD1-CZ2 4.04Å; L176-W180 HydrophobicContact CD2-CZ2 3.9Å; L176-W180 HydrophobicContact CG-CH2 4.46Å; L176-W180 HydrophobicContact CG-CZ2 4.22Å; L176-W180 WeakPolarHBondContact O-CB 3.38Å; L176-W180 VanDerWaalsContact O-CG 3.25Å; L176-W180 PolarHBondContact O-N 2.86Å; W180-L184 VanDerWaalsContact O-CB 3.28Å; W180-L184 WeakPolarHBondContact O-CB 3.39Å; W180-L184 WeakPolarHBondContact O-CG 3.18Å; W180-L184 PolarHBondContact O-N 3.31Å; W180-Y210 HydrophobicContact CB-CD2 3.74Å; W180-Y210 HydrophobicContact CB-CE2 3.74Å; W180-R213 HydrophobicContact CD2-CB 4.02Å; W180-R213 HydrophobicContact CE3-CB 3.71Å; W180-R213 HydrophobicContact CH2-CB 3.81Å; W180-R213 HydrophobicContact CZ2-CB 4.14Å; W180-R213 HydrophobicContact CZ3-CB 3.61Å; W180-L217 HydrophobicContact CH2-CD1 3.87Å; W180-L217 HydrophobicContact CH2-CD2 3.81Å; W180-L217 HydrophobicContact CH2-CG 3.9Å; W180-L217 HydrophobicContact CZ3-CD1 3.75Å; W180-L217 HydrophobicContact CZ3-CG 4.14Å
181S97.9Very high97Very high0 Ų051.2 Ų51.20%024%0.241CC..Hα-helixtrans-66.6-42.1175.747.60000110.7I177 L178 E185 L186 F244I177-S181 WeakPolarHBondContact O-CB 3.45Å; I177-S181 PolarHBondContact O-N 3.29Å; I177-S181 PolarHBondContact O-OG 2.88Å; L178-S181 WeakPolarHBondContact CA-OG 3.25Å; L178-S181 PolarHBondContact O-OG 3.03Å; S181-E185 PolarHBondContact O-N 3.31Å; S181-E185 VanDerWaalsContact O-N 3.12Å; S181-L186 PolarHBondContact O-N 2.9Å; S181-F244 VanDerWaalsContact CB-CG 3.45Å; S181-F244 WeakPolarHBondContact OG-CD1 3.37Å; S181-F244 WeakPolarHBondContact OG-CG 3.22Å
182K97.1Very high96.8Very high154 Ų15447.6 Ų47.667%0.6722%0.218SC*.Hα-helixtrans-65.3-46.7173.5-68.6178.1-177-175.30112.5L178 E179 L184 E185L178-K182 WeakPolarHBondContact O-CG 3.23Å; L178-K182 PolarHBondContact O-N 2.98Å; E179-K182 PolarHBondContact O-N 3.2Å; K182-L184 PolarHBondContact O-N 2.67Å; K182-E185 PolarHBondContact O-N 3.03Å; K182-E185 VanDerWaalsContact O-N 3.16Å
183E97.9Very high96.3Very high114 Ų11443.8 Ų43.853%0.53320%0.204SC..Hα-helixtrans-57.5-39.1178.6-174.5-166.9143.200112.1E179 R213E179-E183 WeakPolarHBondContact O-CB 3.28Å; E179-E183 PolarHBondContact O-N 3.07Å; E183-R213 IonicContact OE1-CZ 2.86Å; E183-R213 VanDerWaalsContact OE1-CZ 3.23Å; E183-R213 IonicContact OE1-NH1 3.83Å; E183-R213 PolarHBondContact OE1-NH1 2.89Å; E183-R213 IonicContact OE1-NH2 3.14Å; E183-R213 PolarHBondContact OE1-NH2 3.32Å; E183-R213 IonicContact OE2-CZ 3.54Å; E183-R213 IonicContact OE2-NH1 2.81Å; E183-R213 PolarHBondContact OE2-NH1 2.87Å
184L97.7Very high95.7Very high19 Ų1950.4 Ų50.410%0.09923%0.229CC..THydrogen-bonded Turntrans-9612.4-177.5-63.4168.6000112.7W180 K182 L186 K206 E209 Y210W180-L184 VanDerWaalsContact O-CB 3.28Å; W180-L184 WeakPolarHBondContact O-CB 3.39Å; W180-L184 WeakPolarHBondContact O-CG 3.18Å; W180-L184 PolarHBondContact O-N 3.31Å; K182-L184 PolarHBondContact O-N 2.67Å; L184-L186 HydrophobicContact CB-CD1 4.04Å; L184-L186 HydrophobicContact CB-CG 3.89Å; L184-L186 WeakPolarHBondContact O-CG 3.43Å; L184-L186 PolarHBondContact O-N 2.8Å; L184-K206 HydrophobicContact CB-CB 4.3Å; L184-K206 VanDerWaalsContact O-CD 3.25Å; L184-K206 WeakPolarHBondContact O-CD 3.39Å; L184-E209 HydrophobicContact CD1-CB 4.47Å; L184-E209 HydrophobicContact CD1-CG 4.08Å; L184-E209 HydrophobicContact CD2-CG 4.03Å; L184-Y210 HydrophobicContact CD1-CD2 4.13Å; L184-Y210 HydrophobicContact CD1-CG 4.41Å
185E96.4Very high95.4Very high125 Ų12548.8 Ų48.858%0.58423%0.228SC*.THydrogen-bonded Turntrans50.234.9178.7-58171.4167.200113.3S181 K182 K206 R238S181-E185 PolarHBondContact O-N 3.31Å; S181-E185 VanDerWaalsContact O-N 3.12Å; K182-E185 PolarHBondContact O-N 3.03Å; K182-E185 VanDerWaalsContact O-N 3.16Å; E185-K206 IonicContact OE2-NZ 3.71Å; E185-K206 PolarHBondContact OE2-NZ 2.79Å; E185-R238 PolarHBondContact O-NH1 2.98Å
186L97.6Very high95.2Very high7 Ų742.4 Ų42.44%0.03720%0.204CC..  trans-89.4143.6178-60.3178.5000109.4S181 L184 V200 K206 A207 Y210S181-L186 PolarHBondContact O-N 2.9Å; L184-L186 HydrophobicContact CB-CD1 4.04Å; L184-L186 HydrophobicContact CB-CG 3.89Å; L184-L186 WeakPolarHBondContact O-CG 3.43Å; L184-L186 PolarHBondContact O-N 2.8Å; L186-V200 HydrophobicContact CD1-CB 4.27Å; L186-V200 HydrophobicContact CD1-CG1 4.3Å; L186-K206 HydrophobicContact CD2-CB 3.98Å; L186-A207 HydrophobicContact CD2-CB 4.34Å; L186-Y210 HydrophobicContact CD1-CD1 4.41Å; L186-Y210 HydrophobicContact CD1-CD2 3.79Å; L186-Y210 HydrophobicContact CD1-CG 3.62Å
187T97.6Very high95Very high17 Ų1741.2 Ų41.210%0.10420%0.198CC..EExtended strand (participates in β ladder)trans-109.9160.6172.854.90000109.7V200 E201 R238 F240 G243T187-V200 CarbonylContact O-C 3.49Å; T187-V200 WeakPolarHBondContact O-CA 3.35Å; T187-E201 PolarHBondContact N-O 3.16Å; T187-E201 PolarHBondContact O-N 2.93Å; T187-E201 PolarHBondContact OG1-O 3.38Å; T187-R238 WeakPolarHBondContact OG1-CD 3.12Å; T187-F240 WeakPolarHBondContact CB-O 3.31Å; T187-F240 VanDerWaalsContact CG2-O 3.23Å; T187-F240 WeakPolarHBondContact CG2-O 3.19Å; T187-G243 CarbonylContact C-O 3.55Å; T187-G243 WeakPolarHBondContact CA-O 3.3Å; T187-G243 WeakPolarHBondContact CB-O 3.27Å
188G96.7Very high94.9Very high0 Ų041.3 Ų41.30%020%0.198CC..EExtended strand (participates in β ladder)trans151.2-156.2-172.300000114.9I199 G243 F244 H245G188-I199 CarbonylContact C-O 3.5Å; G188-I199 WeakPolarHBondContact CA-O 3.29Å; G188-G243 PolarHBondContact N-O 3Å; G188-F244 VanDerWaalsContact CA-CD2 3.44Å; G188-F244 VanDerWaalsContact O-CA 3.3Å; G188-F244 WeakPolarHBondContact O-CA 3.49Å; G188-H245 PolarHBondContact O-N 2.55Å
189C96.3Very high94.9Very high0 Ų039.3 Ų39.30%019%0.188CC..EExtended strand (participates in β ladder)trans-155167.6170.462.70000111.6I199 F244 H245 L247 W257C189-I199 PolarHBondContact N-O 3.35Å; C189-I199 PolarHBondContact O-N 3.38Å; C189-F244 VanDerWaalsContact C-CZ 3.44Å; C189-F244 WeakPolarHBondContact O-CZ 3.36Å; C189-H245 CarbonylContact C-O 3.48Å; C189-H245 WeakPolarHBondContact CA-O 3.27Å; C189-H245 HydrophobicContact CB-CB 4.43Å; C189-H245 WeakPolarHBondContact CB-O 3.21Å; C189-L247 HydrophobicContact CB-CD1 3.52Å; C189-L247 HydrophobicContact CB-CG 3.85Å; C189-L247 VanDerWaalsContact SG-CD1 3.56Å; C189-W257 HydrophobicContact CB-CH2 3.92Å; C189-W257 HydrophobicContact CB-CZ3 4.11Å; C189-W257 VanDerWaalsContact SG-CZ3 3.55Å
190Y96.2Very high94.9Very high0 Ų035.4 Ų35.40%017%0.17CC..EExtended strand (participates in β ladder)trans-134.2149.6160.878.4-77.2000110.9I168 R174 I177 L178 L197 F244 H245 E246 L247I168-Y190 HydrophobicContact CD1-CD2 4.05Å; I168-Y190 HydrophobicContact CG2-CD2 4.32Å; I168-Y190 HydrophobicContact CG2-CE2 4.36Å; R174-Y190 HydrophobicContact CB-CE2 4.26Å; R174-Y190 WeakPolarHBondContact CB-OH 3.43Å; R174-Y190 HydrophobicContact CG-CE2 3.85Å; I177-Y190 HydrophobicContact CD1-CD2 4.49Å; I177-Y190 HydrophobicContact CG2-CD1 3.54Å; I177-Y190 HydrophobicContact CG2-CD2 4.3Å; I177-Y190 HydrophobicContact CG2-CE1 3.96Å; I177-Y190 HydrophobicContact CG2-CG 3.67Å; L178-Y190 HydrophobicContact CD1-CE1 4.09Å; L178-Y190 HydrophobicContact CD2-CE1 3.88Å; L178-Y190 HydrophobicContact CG-CE1 3.76Å; Y190-L197 CarbonylContact C-O 3.58Å; Y190-L197 WeakPolarHBondContact CA-O 3.41Å; Y190-L197 WeakPolarHBondContact CB-O 3.36Å; Y190-F244 AromaticContact CD1-CE1 3.77Å; Y190-F244 HydrophobicContact CD1-CE1 3.77Å; Y190-H245 WeakPolarHBondContact CD1-O 3.36Å; Y190-H245 PolarHBondContact N-O 2.84Å; Y190-E246 HydrophobicContact CD1-CB 4.17Å; Y190-E246 VanDerWaalsContact CE1-CA 3.49Å; Y190-E246 HydrophobicContact CE1-CB 3.37Å; Y190-E246 HydrophobicContact CE1-CG 3.75Å; Y190-E246 HydrophobicContact CE2-CB 4.45Å; Y190-E246 HydrophobicContact CE2-CG 3.88Å; Y190-E246 WeakPolarHBondContact OH-CG 3.47Å; Y190-E246 PolarHBondContact OH-OE1 3.29Å; Y190-E246 PolarHBondContact OH-OE2 2.9Å; Y190-L247 PolarHBondContact O-N 3.46Å
191M93.8Very high94.8Very high1 Ų133.7 Ų33.71%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-120.2110.1178.9-62.3163.9-164.200108.8G193 L197 L247 W254 W257 L258M191-G193 PolarHBondContact O-N 3.33Å; M191-L197 HydrophobicContact CB-CB 4.25Å; M191-L197 HydrophobicContact CE-CD2 4.04Å; M191-L197 PolarHBondContact N-O 2.89Å; M191-L197 PolarHBondContact O-N 2.85Å; M191-L197 VanDerWaalsContact O-N 3.15Å; M191-L197 HydrophobicContact SD-CB 4.41Å; M191-L197 HydrophobicContact SD-CD2 3.69Å; M191-L247 HydrophobicContact CE-CD1 3.42Å; M191-L247 VanDerWaalsContact CE-CD1 3.42Å; M191-L247 HydrophobicContact CG-CB 3.71Å; M191-L247 HydrophobicContact CG-CD1 3.94Å; M191-L247 HydrophobicContact CG-CG 4.42Å; M191-L247 HydrophobicContact SD-CD1 4.47Å; M191-W254 HydrophobicContact CB-CH2 4.29Å; M191-W254 HydrophobicContact CB-CZ2 3.62Å; M191-W254 HydrophobicContact CE-CB 4.36Å; M191-W254 HydrophobicContact CE-CG 4.34Å; M191-W254 HydrophobicContact CG-CZ2 4.45Å; M191-W254 HydrophobicContact SD-CB 3.93Å; M191-W254 HydrophobicContact SD-CD2 3.3Å; M191-W254 HydrophobicContact SD-CE3 3.87Å; M191-W254 HydrophobicContact SD-CG 3.33Å; M191-W254 HydrophobicContact SD-CZ2 4.12Å; M191-W254 HydrophobicContact SD-CZ3 4.45Å; M191-W257 HydrophobicContact CE-CE3 4.31Å; M191-L258 HydrophobicContact CE-CD1 4.21Å; M191-L258 HydrophobicContact CE-CD2 4.05Å; M191-L258 HydrophobicContact CE-CG 4.02Å
192P90.7Very high94.7Very high27 Ų2733.7 Ų33.718%0.17516%0.163CC..  trans-67.8119.4168.627.7-32000110I168 R174 L247I168-P192 WeakPolarHBondContact O-CB 3.42Å; R174-P192 VanDerWaalsContact NH2-CB 3.34Å; P192-L247 WeakPolarHBondContact CD-O 3.4Å
193G85Confident94.5Very high27 Ų2728.3 Ų28.328%0.27814%0.14SC..SBendtrans-170.6-164.2-179.400000112.1H167 M191 P195H167-G193 WeakPolarHBondContact CA-O 3.37Å; H167-G193 WeakPolarHBondContact CB-O 3.43Å; M191-G193 PolarHBondContact O-N 3.33Å; G193-P195 VanDerWaalsContact C-C 3.4Å; G193-P195 CarbonylContact C-O 3.57Å; G193-P195 WeakPolarHBondContact CA-O 3.35Å; G193-P195 CarbonylContact O-C 3.56Å
194R84.9Confident94.4Very high171 Ų17125 Ų2565%0.64513%0.125SC*.SBendtrans-131.498.1167.3-175.9179.1179.5179.4-2.7108.6
195P89.9Confident94.3Very high40 Ų4028.9 Ų28.926%0.2615%0.15SC..SBendcis-70.4167.85.731.8-35.4000112.5I164 S165 G193 W254I164-P195 HydrophobicContact CG2-CB 3.79Å; I164-P195 HydrophobicContact CG2-CG 4.47Å; S165-P195 WeakPolarHBondContact O-CA 3.39Å; S165-P195 WeakPolarHBondContact O-CB 3.32Å; G193-P195 VanDerWaalsContact C-C 3.4Å; G193-P195 CarbonylContact C-O 3.57Å; G193-P195 WeakPolarHBondContact CA-O 3.35Å; G193-P195 CarbonylContact O-C 3.56Å; P195-W254 HydrophobicContact CG-CH2 4.31Å; P195-W254 HydrophobicContact CG-CZ3 4.32Å; P195-W254 WeakPolarHBondContact O-CH2 3.42Å
196G93.2Very high94.3Very high1 Ų125.1 Ų25.11%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-95.5141.3165.100000110S165S165-G196 PolarHBondContact N-O 3.26Å; S165-G196 PolarHBondContact O-N 3.04Å; S165-G196 WeakPolarHBondContact OG-CA 3.3Å; S165-G196 PolarHBondContact OG-O 3.15Å
197L94.1Very high94.3Very high1 Ų124.8 Ų24.81%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-119.3141.2-178179.864.1000110.5W162 I164 Y190 M191 I199 W254 F272W162-L197 HydrophobicContact CE3-CD1 4.36Å; I164-L197 HydrophobicContact CG1-CD1 4.11Å; Y190-L197 CarbonylContact C-O 3.58Å; Y190-L197 WeakPolarHBondContact CA-O 3.41Å; Y190-L197 WeakPolarHBondContact CB-O 3.36Å; M191-L197 HydrophobicContact CB-CB 4.25Å; M191-L197 HydrophobicContact CE-CD2 4.04Å; M191-L197 PolarHBondContact N-O 2.89Å; M191-L197 PolarHBondContact O-N 2.85Å; M191-L197 VanDerWaalsContact O-N 3.15Å; M191-L197 HydrophobicContact SD-CB 4.41Å; M191-L197 HydrophobicContact SD-CD2 3.69Å; L197-I199 HydrophobicContact CD1-CG1 4.22Å; L197-I199 HydrophobicContact CD2-CD1 3.93Å; L197-I199 HydrophobicContact CD2-CG1 4.05Å; L197-I199 HydrophobicContact CG-CD1 4.41Å; L197-I199 HydrophobicContact CG-CG1 3.97Å; L197-W254 HydrophobicContact CB-CH2 4.05Å; L197-W254 HydrophobicContact CB-CZ3 4.04Å; L197-W254 HydrophobicContact CD2-CE3 4.31Å; L197-W254 HydrophobicContact CD2-CZ3 4.3Å; L197-F272 HydrophobicContact CD1-CE1 3.9Å; L197-F272 HydrophobicContact CD1-CZ 3.67Å; L197-F272 HydrophobicContact CD2-CE1 4.23Å; L197-F272 HydrophobicContact CD2-CZ 3.59Å; L197-F272 HydrophobicContact CG-CZ 4.26Å
198V96.9Very high94.3Very high3 Ų326.6 Ų26.62%0.01814%0.139CC..EExtended strand (participates in β ladder)trans-132.2127.7167.7-1800000107.5I163 I168 I177 V200 Y210 L214 F244I163-V198 HydrophobicContact CB-CB 4.14Å; I163-V198 HydrophobicContact CD1-CG1 4.48Å; I163-V198 PolarHBondContact N-O 3.19Å; I163-V198 PolarHBondContact O-N 3.04Å; I168-V198 HydrophobicContact CD1-CG2 3.74Å; I177-V198 HydrophobicContact CD1-CG2 4.23Å; V198-V200 HydrophobicContact CG1-CG1 4.15Å; V198-Y210 HydrophobicContact CG1-CE1 3.96Å; V198-L214 HydrophobicContact CG1-CD2 4.47Å; V198-L214 HydrophobicContact CG2-CD2 4.29Å; V198-F244 HydrophobicContact CG1-CZ 4.15Å
199I96.8Very high94.4Very high0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-120.1121.1174.7-50.2172.6000106.6C160 L161 W162 G188 C189 L197 F240 F244 L258C160-I199 VanDerWaalsContact SG-CG2 3.54Å; L161-I199 WeakPolarHBondContact O-CA 3.4Å; W162-I199 HydrophobicContact CD2-CG1 4.33Å; W162-I199 HydrophobicContact CD2-CG2 4.3Å; W162-I199 HydrophobicContact CE3-CD1 3.71Å; W162-I199 HydrophobicContact CE3-CG1 3.61Å; W162-I199 HydrophobicContact CE3-CG2 4.36Å; W162-I199 HydrophobicContact CH2-CD1 3.67Å; W162-I199 HydrophobicContact CH2-CG1 4.39Å; W162-I199 HydrophobicContact CZ2-CG2 4.44Å; W162-I199 HydrophobicContact CZ3-CD1 3.18Å; W162-I199 HydrophobicContact CZ3-CG1 3.68Å; W162-I199 HydrophobicContact CZ3-CG2 4.49Å; G188-I199 CarbonylContact C-O 3.5Å; G188-I199 WeakPolarHBondContact CA-O 3.29Å; C189-I199 PolarHBondContact N-O 3.35Å; C189-I199 PolarHBondContact O-N 3.38Å; L197-I199 HydrophobicContact CD1-CG1 4.22Å; L197-I199 HydrophobicContact CD2-CD1 3.93Å; L197-I199 HydrophobicContact CD2-CG1 4.05Å; L197-I199 HydrophobicContact CG-CD1 4.41Å; L197-I199 HydrophobicContact CG-CG1 3.97Å; I199-F240 HydrophobicContact CB-CE2 4.42Å; I199-F240 HydrophobicContact CD1-CZ 4.43Å; I199-F240 HydrophobicContact CG2-CE2 3.75Å; I199-F240 HydrophobicContact CG2-CZ 4.21Å; I199-F244 VanDerWaalsContact O-CE2 3.26Å; I199-F244 WeakPolarHBondContact O-CE2 3.49Å; I199-L258 HydrophobicContact CD1-CD1 4.37Å; I199-L258 HydrophobicContact CD1-CD2 3.29Å; I199-L258 HydrophobicContact CD1-CG 4.46Å
200V97.6Very high94.5Very high0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-125.5137.3177.6-73.90000111C160 L161 I163 L186 T187 V198 Y210 F244C160-V200 CarbonylContact C-O 3.6Å; C160-V200 VanDerWaalsContact CA-O 3.27Å; C160-V200 WeakPolarHBondContact CA-O 3.49Å; L161-V200 HydrophobicContact CB-CG2 3.58Å; L161-V200 HydrophobicContact CD1-CG2 3.88Å; L161-V200 HydrophobicContact CG-CG2 3.85Å; L161-V200 PolarHBondContact N-O 3.12Å; L161-V200 PolarHBondContact O-N 2.9Å; L161-V200 VanDerWaalsContact O-N 3.12Å; I163-V200 HydrophobicContact CD1-CG2 4.43Å; L186-V200 HydrophobicContact CD1-CB 4.27Å; L186-V200 HydrophobicContact CD1-CG1 4.3Å; T187-V200 CarbonylContact O-C 3.49Å; T187-V200 WeakPolarHBondContact O-CA 3.35Å; V198-V200 HydrophobicContact CG1-CG1 4.15Å; V200-Y210 HydrophobicContact CG1-CD1 3.76Å; V200-Y210 HydrophobicContact CG1-CE1 3.49Å; V200-Y210 VanDerWaalsContact CG1-CE1 3.49Å; V200-Y210 HydrophobicContact CG1-CE2 4.47Å; V200-Y210 HydrophobicContact CG1-CG 4.35Å; V200-Y210 HydrophobicContact CG2-CD1 4.13Å; V200-Y210 HydrophobicContact CG2-CE1 4.46Å; V200-F244 HydrophobicContact CB-CE2 4.44Å; V200-F244 HydrophobicContact CG1-CD2 4.24Å; V200-F244 HydrophobicContact CG1-CE2 3.39Å; V200-F244 HydrophobicContact CG1-CZ 4.08Å
201E96.7Very high94.6Very high0 Ų030.5 Ų30.50%016%0.155CC..EExtended strand (participates in β ladder)trans-125.9134.8178.3-57.1-170.5164.500110.9R100 V159 C160 T187 L230 R238 R239 F240R100-E201 IonicContact CZ-OE1 3.17Å; R100-E201 IonicContact CZ-OE2 3.82Å; R100-E201 IonicContact NH2-OE1 2.89Å; R100-E201 PolarHBondContact NH2-OE1 3.41Å; R100-E201 IonicContact NH2-OE2 3.44Å; R100-E201 PolarHBondContact NH2-OE2 3.46Å; V159-E201 VanDerWaalsContact O-CA 3.27Å; V159-E201 WeakPolarHBondContact O-CA 3.13Å; C160-E201 HydrophobicContact CB-CG 3.91Å; T187-E201 PolarHBondContact N-O 3.16Å; T187-E201 PolarHBondContact O-N 2.93Å; T187-E201 PolarHBondContact OG1-O 3.38Å; E201-L230 HydrophobicContact CB-CD1 4.48Å; E201-L230 HydrophobicContact CG-CD1 4.47Å; E201-R238 PolarHBondContact O-NH1 2.85Å; E201-R238 WeakPolarHBondContact OE2-CA 3.12Å; E201-R238 WeakPolarHBondContact OE2-CB 2.81Å; E201-R239 WeakPolarHBondContact OE1-CB 3.34Å; E201-R239 WeakPolarHBondContact OE1-CD 3.42Å; E201-R239 WeakPolarHBondContact OE1-CG 3.41Å; E201-R239 IonicContact OE1-NH1 3.36Å; E201-R239 PolarHBondContact OE1-NH1 3.28Å; E201-R239 PolarHBondContact OE2-N 3.09Å; E201-F240 HydrophobicContact CG-CD2 3.92Å; E201-F240 HydrophobicContact CG-CE2 4.1Å; E201-F240 WeakPolarHBondContact OE1-CE2 3.42Å
202G95.3Very high94.9Very high0 Ų035.4 Ų35.40%017%0.174CC..EExtended strand (participates in β ladder)trans164.8-166.4177.500000113.4T158 V159T158-G202 CarbonylContact C-O 3.32Å; T158-G202 WeakPolarHBondContact CA-O 3.35Å; V159-G202 PolarHBondContact N-O 2.98Å; V159-G202 PolarHBondContact O-N 3.32Å; V159-G202 VanDerWaalsContact O-N 3.1Å
203E94.2Very high95.2Very high41 Ų4136.3 Ų36.319%0.19217%0.174CC..EExtended strand (participates in β ladder)trans-57136.6173.7-70163.8-139.900110.4T205 K206 A207E203-T205 VanDerWaalsContact C-N 3.28Å; E203-T205 PolarHBondContact O-N 3.47Å; E203-K206 HydrophobicContact CB-CB 4.34Å; E203-K206 HydrophobicContact CB-CD 4.24Å; E203-K206 HydrophobicContact CB-CG 4.19Å; E203-K206 PolarHBondContact O-N 3.22Å; E203-K206 VanDerWaalsContact O-N 3.11Å; E203-K206 IonicContact OE1-NZ 3.56Å; E203-K206 PolarHBondContact OE1-NZ 2.8Å; E203-K206 WeakPolarHBondContact OE2-CE 3.35Å; E203-K206 IonicContact OE2-NZ 3.73Å; E203-K206 PolarHBondContact OE2-NZ 2.98Å; E203-A207 WeakPolarHBondContact O-CB 3.31Å; E203-A207 PolarHBondContact O-N 2.88Å
204E94.6Very high95.8Very high44 Ų4435 Ų3521%0.20616%0.161CC..Hα-helixtrans-53.9-43.7-175.8-179.6170.5-142.700112.6K157 V159 K206 A207 D208 K227K157-E204 HydrophobicContact CB-CB 4.08Å; K157-E204 VanDerWaalsContact CD-OE2 3.31Å; K157-E204 WeakPolarHBondContact CD-OE2 3.36Å; K157-E204 IonicContact NZ-OE2 3.81Å; K157-E204 PolarHBondContact O-N 2.78Å; V159-E204 HydrophobicContact CG1-CB 3.94Å; V159-E204 HydrophobicContact CG1-CG 4.14Å; V159-E204 HydrophobicContact CG2-CB 4.33Å; E204-K206 PolarHBondContact O-N 3.5Å; E204-A207 PolarHBondContact O-N 3.31Å; E204-D208 WeakPolarHBondContact CG-OD2 3.3Å; E204-D208 VanDerWaalsContact O-CB 3.28Å; E204-D208 WeakPolarHBondContact O-CB 3.44Å; E204-D208 VanDerWaalsContact O-CG 3.27Å; E204-D208 PolarHBondContact O-N 3.41Å; E204-K227 VanDerWaalsContact CG-NZ 3.33Å; E204-K227 WeakPolarHBondContact OE1-CE 3.29Å; E204-K227 IonicContact OE1-NZ 3.67Å; E204-K227 PolarHBondContact OE1-NZ 3.44Å
205T95.4Very high96.4Very high102 Ų10232.1 Ų32.163%0.62615%0.15SC*.Hα-helixtrans-61.4-44.7179.153.10000112.1E203 E209E203-T205 VanDerWaalsContact C-N 3.28Å; E203-T205 PolarHBondContact O-N 3.47Å; T205-E209 WeakPolarHBondContact O-CB 3.43Å; T205-E209 PolarHBondContact O-N 3.46Å
206K97.5Very high96.7Very high46 Ų4635.8 Ų35.820%0.217%0.167CC..Hα-helixtrans-68.9-41.7178.2-63.4-176.3-177.1163.80111.2L184 E185 L186 E203 E204 E209 Y210L184-K206 HydrophobicContact CB-CB 4.3Å; L184-K206 VanDerWaalsContact O-CD 3.25Å; L184-K206 WeakPolarHBondContact O-CD 3.39Å; E185-K206 IonicContact OE2-NZ 3.71Å; E185-K206 PolarHBondContact OE2-NZ 2.79Å; L186-K206 HydrophobicContact CD2-CB 3.98Å; E203-K206 HydrophobicContact CB-CB 4.34Å; E203-K206 HydrophobicContact CB-CD 4.24Å; E203-K206 HydrophobicContact CB-CG 4.19Å; E203-K206 PolarHBondContact O-N 3.22Å; E203-K206 VanDerWaalsContact O-N 3.11Å; E203-K206 IonicContact OE1-NZ 3.56Å; E203-K206 PolarHBondContact OE1-NZ 2.8Å; E203-K206 WeakPolarHBondContact OE2-CE 3.35Å; E203-K206 IonicContact OE2-NZ 3.73Å; E203-K206 PolarHBondContact OE2-NZ 2.98Å; E204-K206 PolarHBondContact O-N 3.5Å; K206-E209 PolarHBondContact O-N 2.96Å; K206-Y210 WeakPolarHBondContact O-CB 3.47Å; K206-Y210 PolarHBondContact O-N 2.78Å
207A97.8Very high96.9Very high0 Ų037.6 Ų37.60%018%0.176CC..Hα-helixtrans-66.9-41.7177.700000112.3V159 L161 L186 E203 E204 E209 Y210 W211V159-A207 HydrophobicContact CG2-CB 3.61Å; L161-A207 HydrophobicContact CD1-CB 3.88Å; L161-A207 VanDerWaalsContact CD1-O 3.32Å; L161-A207 WeakPolarHBondContact CD1-O 3.45Å; L161-A207 HydrophobicContact CG-CB 4.12Å; L186-A207 HydrophobicContact CD2-CB 4.34Å; E203-A207 WeakPolarHBondContact O-CB 3.31Å; E203-A207 PolarHBondContact O-N 2.88Å; E204-A207 PolarHBondContact O-N 3.31Å; A207-E209 VanDerWaalsContact C-N 3.35Å; A207-Y210 WeakPolarHBondContact O-CB 3.47Å; A207-Y210 PolarHBondContact O-N 3.31Å; A207-W211 PolarHBondContact O-N 2.87Å
208D97.6Very high97Very high55 Ų5546 Ų4629%0.29422%0.216SC..Hα-helixtrans-67-36.9177.1-75.5-24000111.7E204 W211 R212 K227E204-D208 WeakPolarHBondContact CG-OD2 3.3Å; E204-D208 VanDerWaalsContact O-CB 3.28Å; E204-D208 WeakPolarHBondContact O-CB 3.44Å; E204-D208 VanDerWaalsContact O-CG 3.27Å; E204-D208 PolarHBondContact O-N 3.41Å; D208-W211 PolarHBondContact O-N 2.81Å; D208-R212 WeakPolarHBondContact O-CB 3.38Å; D208-R212 PolarHBondContact O-N 2.62Å; D208-K227 IonicContact OD1-NZ 2.71Å; D208-K227 PolarHBondContact OD1-NZ 3.39Å; D208-K227 IonicContact OD2-NZ 3.65Å; D208-K227 PolarHBondContact OD2-NZ 3.44Å
209E98.4Very high96.9Very high49 Ų4947.8 Ų47.823%0.22922%0.222CC..Hα-helixtrans-63.5-45.2171.4173.456.7-163.800111.5L184 T205 K206 A207 W211 R212 R213L184-E209 HydrophobicContact CD1-CB 4.47Å; L184-E209 HydrophobicContact CD1-CG 4.08Å; L184-E209 HydrophobicContact CD2-CG 4.03Å; T205-E209 WeakPolarHBondContact O-CB 3.43Å; T205-E209 PolarHBondContact O-N 3.46Å; K206-E209 PolarHBondContact O-N 2.96Å; A207-E209 VanDerWaalsContact C-N 3.35Å; E209-W211 VanDerWaalsContact C-N 3.34Å; E209-W211 PolarHBondContact O-N 2.72Å; E209-R212 VanDerWaalsContact CD-NH2 3.32Å; E209-R212 WeakPolarHBondContact O-CB 3.44Å; E209-R212 PolarHBondContact O-N 2.99Å; E209-R212 IonicContact OE1-CZ 3.18Å; E209-R212 IonicContact OE1-NE 3.77Å; E209-R212 IonicContact OE1-NH2 2.71Å; E209-R212 PolarHBondContact OE1-NH2 3.11Å; E209-R212 IonicContact OE2-CZ 3.46Å; E209-R212 IonicContact OE2-NE 3.23Å; E209-R212 PolarHBondContact OE2-NE 2.82Å; E209-R212 IonicContact OE2-NH2 3.5Å; E209-R212 PolarHBondContact OE2-NH2 2.73Å; E209-R213 WeakPolarHBondContact O-CG 3.5Å; E209-R213 PolarHBondContact O-N 2.97Å; E209-R213 IonicContact OE1-CZ 3.5Å; E209-R213 IonicContact OE1-NE 2.73Å; E209-R213 PolarHBondContact OE1-NE 2.55Å; E209-R213 IonicContact OE1-NH2 2.75Å; E209-R213 PolarHBondContact OE1-NH2 3.48Å
210Y98.6Very high96.8Very high0 Ų055.7 Ų55.70%026%0.256CS..Hα-helixtrans-58.1-46.8174.5-177.5-87.5000111.5I177 W180 L184 L186 V198 V200 K206 A207 R212 R213 L214I177-Y210 WeakPolarHBondContact CG2-OH 3.42Å; I177-Y210 PolarHBondContact O-OH 3.44Å; W180-Y210 HydrophobicContact CB-CD2 3.74Å; W180-Y210 HydrophobicContact CB-CE2 3.74Å; L184-Y210 HydrophobicContact CD1-CD2 4.13Å; L184-Y210 HydrophobicContact CD1-CG 4.41Å; L186-Y210 HydrophobicContact CD1-CD1 4.41Å; L186-Y210 HydrophobicContact CD1-CD2 3.79Å; L186-Y210 HydrophobicContact CD1-CG 3.62Å; V198-Y210 HydrophobicContact CG1-CE1 3.96Å; V200-Y210 HydrophobicContact CG1-CD1 3.76Å; V200-Y210 HydrophobicContact CG1-CE1 3.49Å; V200-Y210 VanDerWaalsContact CG1-CE1 3.49Å; V200-Y210 HydrophobicContact CG1-CE2 4.47Å; V200-Y210 HydrophobicContact CG1-CG 4.35Å; V200-Y210 HydrophobicContact CG2-CD1 4.13Å; V200-Y210 HydrophobicContact CG2-CE1 4.46Å; K206-Y210 WeakPolarHBondContact O-CB 3.47Å; K206-Y210 PolarHBondContact O-N 2.78Å; A207-Y210 WeakPolarHBondContact O-CB 3.47Å; A207-Y210 PolarHBondContact O-N 3.31Å; Y210-R212 VanDerWaalsContact C-N 3.34Å; Y210-R212 PolarHBondContact O-N 2.84Å; Y210-R213 PolarHBondContact O-N 3.39Å; Y210-L214 HydrophobicContact CE1-CD2 4.21Å; Y210-L214 WeakPolarHBondContact O-CB 3.21Å; Y210-L214 PolarHBondContact O-N 3.14Å
211W98.5Very high96.7Very high32 Ų3260.2 Ų60.212%0.12128%0.277CS..Hα-helixtrans-60.6-42.8176172.8-136.8000111.7L161 I163 A207 D208 E209 R213 L214 R215 I222 L224L161-W211 HydrophobicContact CD1-CB 3.91Å; I163-W211 HydrophobicContact CD1-CD2 4.39Å; I163-W211 HydrophobicContact CD1-CE3 3.71Å; I163-W211 HydrophobicContact CD1-CZ3 4.31Å; I163-W211 HydrophobicContact CG1-CE3 3.98Å; I163-W211 HydrophobicContact CG1-CZ3 4.2Å; I163-W211 HydrophobicContact CG2-CE3 4.08Å; I163-W211 HydrophobicContact CG2-CH2 4.29Å; I163-W211 HydrophobicContact CG2-CZ3 3.52Å; A207-W211 PolarHBondContact O-N 2.87Å; D208-W211 PolarHBondContact O-N 2.81Å; E209-W211 VanDerWaalsContact C-N 3.34Å; E209-W211 PolarHBondContact O-N 2.72Å; W211-R213 PolarHBondContact O-N 3.09Å; W211-L214 HydrophobicContact CE3-CB 4.31Å; W211-L214 HydrophobicContact CE3-CD2 4.26Å; W211-L214 HydrophobicContact CZ3-CD2 4.35Å; W211-L214 PolarHBondContact O-N 2.96Å; W211-R215 HydrophobicContact CD2-CB 4.35Å; W211-R215 HydrophobicContact CD2-CG 4.37Å; W211-R215 HydrophobicContact CE3-CB 4.1Å; W211-R215 HydrophobicContact CH2-CB 3.74Å; W211-R215 HydrophobicContact CZ2-CB 4Å; W211-R215 HydrophobicContact CZ2-CG 4.4Å; W211-R215 HydrophobicContact CZ3-CB 3.8Å; W211-R215 VanDerWaalsContact O-CD 3.29Å; W211-R215 WeakPolarHBondContact O-CD 3.26Å; W211-R215 WeakPolarHBondContact O-CG 3.29Å; W211-R215 PolarHBondContact O-N 3.35Å; W211-I222 HydrophobicContact CH2-CD1 4.38Å; W211-I222 HydrophobicContact CH2-CG1 3.96Å; W211-I222 HydrophobicContact CH2-CG2 4.3Å; W211-I222 HydrophobicContact CZ3-CD1 3.78Å; W211-I222 HydrophobicContact CZ3-CG1 3.82Å; W211-L224 HydrophobicContact CD2-CB 4.44Å; W211-L224 HydrophobicContact CH2-CB 4.35Å; W211-L224 HydrophobicContact CZ2-CB 3.74Å
212R98.4Very high96.7Very high105 Ų10561.7 Ų61.740%0.39629%0.285SS..Hα-helixtrans-58.1-45.9177-172.5-166.867.779.62.3111.8D208 E209 Y210 R215 N216D208-R212 WeakPolarHBondContact O-CB 3.38Å; D208-R212 PolarHBondContact O-N 2.62Å; E209-R212 VanDerWaalsContact CD-NH2 3.32Å; E209-R212 WeakPolarHBondContact O-CB 3.44Å; E209-R212 PolarHBondContact O-N 2.99Å; E209-R212 IonicContact OE1-CZ 3.18Å; E209-R212 IonicContact OE1-NE 3.77Å; E209-R212 IonicContact OE1-NH2 2.71Å; E209-R212 PolarHBondContact OE1-NH2 3.11Å; E209-R212 IonicContact OE2-CZ 3.46Å; E209-R212 IonicContact OE2-NE 3.23Å; E209-R212 PolarHBondContact OE2-NE 2.82Å; E209-R212 IonicContact OE2-NH2 3.5Å; E209-R212 PolarHBondContact OE2-NH2 2.73Å; Y210-R212 VanDerWaalsContact C-N 3.34Å; Y210-R212 PolarHBondContact O-N 2.84Å; R212-R215 VanDerWaalsContact N-NH1 3.17Å; R212-N216 VanDerWaalsContact O-CG 3.29Å; R212-N216 PolarHBondContact O-N 2.83Å; R212-N216 PolarHBondContact O-ND2 2.87Å
213R98.3Very high96.7Very high46 Ų4663.9 Ų63.917%0.17430%0.295CS..Hα-helixtrans-64.2-46.4176.2-65.3177.8-174.2-164.15.1111.4W180 E183 E209 Y210 W211 R215 N216W180-R213 HydrophobicContact CD2-CB 4.02Å; W180-R213 HydrophobicContact CE3-CB 3.71Å; W180-R213 HydrophobicContact CH2-CB 3.81Å; W180-R213 HydrophobicContact CZ2-CB 4.14Å; W180-R213 HydrophobicContact CZ3-CB 3.61Å; E183-R213 IonicContact OE1-CZ 2.86Å; E183-R213 VanDerWaalsContact OE1-CZ 3.23Å; E183-R213 IonicContact OE1-NH1 3.83Å; E183-R213 PolarHBondContact OE1-NH1 2.89Å; E183-R213 IonicContact OE1-NH2 3.14Å; E183-R213 PolarHBondContact OE1-NH2 3.32Å; E183-R213 IonicContact OE2-CZ 3.54Å; E183-R213 IonicContact OE2-NH1 2.81Å; E183-R213 PolarHBondContact OE2-NH1 2.87Å; E209-R213 WeakPolarHBondContact O-CG 3.5Å; E209-R213 PolarHBondContact O-N 2.97Å; E209-R213 IonicContact OE1-CZ 3.5Å; E209-R213 IonicContact OE1-NE 2.73Å; E209-R213 PolarHBondContact OE1-NE 2.55Å; E209-R213 IonicContact OE1-NH2 2.75Å; E209-R213 PolarHBondContact OE1-NH2 3.48Å; Y210-R213 PolarHBondContact O-N 3.39Å; W211-R213 PolarHBondContact O-N 3.09Å; R213-R215 PolarHBondContact O-N 3.38Å; R213-N216 PolarHBondContact O-N 3.42Å
214L97.8Very high96.9Very high0 Ų064.5 Ų64.50%030%0.3CS..Hα-helixtrans-60.5-47.4-177.2-16869.3000111.9I163 I177 V198 Y210 W211 N216 L217 W219 I222I163-L214 HydrophobicContact CD1-CD2 3.97Å; I163-L214 HydrophobicContact CG2-CD2 3.92Å; I177-L214 HydrophobicContact CD1-CD1 4.15Å; I177-L214 HydrophobicContact CG1-CD1 3.65Å; V198-L214 HydrophobicContact CG1-CD2 4.47Å; V198-L214 HydrophobicContact CG2-CD2 4.29Å; Y210-L214 HydrophobicContact CE1-CD2 4.21Å; Y210-L214 WeakPolarHBondContact O-CB 3.21Å; Y210-L214 PolarHBondContact O-N 3.14Å; W211-L214 HydrophobicContact CE3-CB 4.31Å; W211-L214 HydrophobicContact CE3-CD2 4.26Å; W211-L214 HydrophobicContact CZ3-CD2 4.35Å; W211-L214 PolarHBondContact O-N 2.96Å; L214-N216 VanDerWaalsContact C-N 3.25Å; L214-N216 PolarHBondContact O-N 2.8Å; L214-L217 HydrophobicContact CD1-CD1 4.28Å; L214-L217 WeakPolarHBondContact O-CB 3.22Å; L214-L217 PolarHBondContact O-N 2.99Å; L214-L217 VanDerWaalsContact O-N 3.15Å; L214-W219 HydrophobicContact CD1-CH2 4.43Å; L214-W219 HydrophobicContact CD1-CZ2 3.69Å; L214-W219 HydrophobicContact CG-CZ2 4.04Å; L214-W219 PolarHBondContact O-NE1 3.26Å; L214-I222 HydrophobicContact CD2-CD1 3.9Å; L214-I222 HydrophobicContact CG-CD1 3.88Å
215R97Very high96.8Very high110 Ų11068.5 Ų68.542%0.41531%0.313SS..Hα-helixtrans-72.5-15.4-177.567.7-158-155.2-116-5.4114.5W211 R212 R213 L217 I222W211-R215 HydrophobicContact CD2-CB 4.35Å; W211-R215 HydrophobicContact CD2-CG 4.37Å; W211-R215 HydrophobicContact CE3-CB 4.1Å; W211-R215 HydrophobicContact CH2-CB 3.74Å; W211-R215 HydrophobicContact CZ2-CB 4Å; W211-R215 HydrophobicContact CZ2-CG 4.4Å; W211-R215 HydrophobicContact CZ3-CB 3.8Å; W211-R215 VanDerWaalsContact O-CD 3.29Å; W211-R215 WeakPolarHBondContact O-CD 3.26Å; W211-R215 WeakPolarHBondContact O-CG 3.29Å; W211-R215 PolarHBondContact O-N 3.35Å; R212-R215 VanDerWaalsContact N-NH1 3.17Å; R213-R215 PolarHBondContact O-N 3.38Å; R215-L217 VanDerWaalsContact C-N 3.33Å; R215-I222 HydrophobicContact CB-CG2 4.47Å
216N96.9Very high96.6Very high116 Ų11665.5 Ų65.562%0.6229%0.292SS*.THydrogen-bonded Turntrans-82.3-7171.6-73.1-17.9000113.9R212 R213 L214R212-N216 VanDerWaalsContact O-CG 3.29Å; R212-N216 PolarHBondContact O-N 2.83Å; R212-N216 PolarHBondContact O-ND2 2.87Å; R213-N216 PolarHBondContact O-N 3.42Å; L214-N216 VanDerWaalsContact C-N 3.25Å; L214-N216 PolarHBondContact O-N 2.8Å
217L96.6Very high96.4Very high39 Ų3966.2 Ų66.220%0.20430%0.295CS..SBendtrans-73.5159.6168.7-59.8177.5000110.7K173 L176 W180 L214 R215 W219K173-L217 HydrophobicContact CG-CD1 4.17Å; L176-L217 HydrophobicContact CD1-CD1 4.2Å; L176-L217 HydrophobicContact CD1-CD2 3.78Å; W180-L217 HydrophobicContact CH2-CD1 3.87Å; W180-L217 HydrophobicContact CH2-CD2 3.81Å; W180-L217 HydrophobicContact CH2-CG 3.9Å; W180-L217 HydrophobicContact CZ3-CD1 3.75Å; W180-L217 HydrophobicContact CZ3-CG 4.14Å; L214-L217 HydrophobicContact CD1-CD1 4.28Å; L214-L217 WeakPolarHBondContact O-CB 3.22Å; L214-L217 PolarHBondContact O-N 2.99Å; L214-L217 VanDerWaalsContact O-N 3.15Å; R215-L217 VanDerWaalsContact C-N 3.33Å; L217-W219 HydrophobicContact CD1-CZ2 4.33Å; L217-W219 PolarHBondContact O-N 3.14Å; L217-W219 VanDerWaalsContact O-N 3.11Å
218Q95.6Very high96.1Very high178 Ų17867.7 Ų67.783%0.83230%0.302SS*.  trans-74.4101.7179.4-68.4-179.4-32.600111.6K173K173-Q218 WeakPolarHBondContact CE-O 3.48Å; K173-Q218 PolarHBondContact NZ-O 3.14Å
219W96Very high95.7Very high41 Ų4166.2 Ų66.216%0.15529%0.294CS..  trans-110.3147.7175.5-58.995000111.8I168 K173 I177 L214 L217 H221 I222I168-W219 HydrophobicContact CG1-CH2 4.15Å; I168-W219 HydrophobicContact CG1-CZ3 4.05Å; K173-W219 HydrophobicContact CD-CE3 4.3Å; K173-W219 HydrophobicContact CD-CH2 3.76Å; K173-W219 HydrophobicContact CD-CZ2 3.97Å; K173-W219 HydrophobicContact CD-CZ3 3.93Å; I177-W219 HydrophobicContact CD1-CH2 4.5Å; L214-W219 HydrophobicContact CD1-CH2 4.43Å; L214-W219 HydrophobicContact CD1-CZ2 3.69Å; L214-W219 HydrophobicContact CG-CZ2 4.04Å; L214-W219 PolarHBondContact O-NE1 3.26Å; L217-W219 HydrophobicContact CD1-CZ2 4.33Å; L217-W219 PolarHBondContact O-N 3.14Å; L217-W219 VanDerWaalsContact O-N 3.11Å; W219-H221 VanDerWaalsContact C-N 3.35Å; W219-I222 HydrophobicContact CB-CB 3.94Å; W219-I222 HydrophobicContact CB-CG2 3.9Å; W219-I222 HydrophobicContact CD2-CB 4.07Å; W219-I222 HydrophobicContact CD2-CD1 3.76Å; W219-I222 HydrophobicContact CD2-CG1 4.43Å; W219-I222 HydrophobicContact CD2-CG2 4.47Å; W219-I222 VanDerWaalsContact CE2-CD1 3.43Å; W219-I222 HydrophobicContact CE3-CD1 4.34Å; W219-I222 HydrophobicContact CG-CB 3.72Å; W219-I222 HydrophobicContact CG-CD1 4.1Å; W219-I222 HydrophobicContact CG-CG2 3.7Å; W219-I222 HydrophobicContact CH2-CD1 4.32Å; W219-I222 HydrophobicContact CZ2-CD1 3.77Å
220K94.8Very high95.2Very high165 Ų16564 Ų6472%0.71728%0.283SS*.SBendtrans-67.9-41.7164.5-175.8178178.8-179.10110.7H166H166-K220 HydrophobicContact CB-CB 4.26Å
221H95.2Very high94.6Very high95 Ų9564 Ų6444%0.4428%0.283SS..SBendtrans-157.2135.4172.5-172.9-104.4000108.2S165 H166 W219S165-H221 CarbonylContact C-O 3.49Å; S165-H221 WeakPolarHBondContact CA-O 3.28Å; H166-H221 HydrophobicContact CB-CB 4.29Å; H166-H221 PolarHBondContact N-O 2.89Å; W219-H221 VanDerWaalsContact C-N 3.35Å
222I96.9Very high93.9Very high32 Ų3262.7 Ų62.716%0.16428%0.278CS..EExtended strand (participates in β ladder)trans-147.1141.1171-168166000108.8I163 I164 W211 L214 R215 W219I163-I222 HydrophobicContact CG2-CD1 3.87Å; I163-I222 HydrophobicContact CG2-CG1 3.82Å; I164-I222 CarbonylContact O-C 3.51Å; I164-I222 WeakPolarHBondContact O-CA 3.45Å; W211-I222 HydrophobicContact CH2-CD1 4.38Å; W211-I222 HydrophobicContact CH2-CG1 3.96Å; W211-I222 HydrophobicContact CH2-CG2 4.3Å; W211-I222 HydrophobicContact CZ3-CD1 3.78Å; W211-I222 HydrophobicContact CZ3-CG1 3.82Å; L214-I222 HydrophobicContact CD2-CD1 3.9Å; L214-I222 HydrophobicContact CG-CD1 3.88Å; R215-I222 HydrophobicContact CB-CG2 4.47Å; W219-I222 HydrophobicContact CB-CB 3.94Å; W219-I222 HydrophobicContact CB-CG2 3.9Å; W219-I222 HydrophobicContact CD2-CB 4.07Å; W219-I222 HydrophobicContact CD2-CD1 3.76Å; W219-I222 HydrophobicContact CD2-CG1 4.43Å; W219-I222 HydrophobicContact CD2-CG2 4.47Å; W219-I222 VanDerWaalsContact CE2-CD1 3.43Å; W219-I222 HydrophobicContact CE3-CD1 4.34Å; W219-I222 HydrophobicContact CG-CB 3.72Å; W219-I222 HydrophobicContact CG-CD1 4.1Å; W219-I222 HydrophobicContact CG-CG2 3.7Å; W219-I222 HydrophobicContact CH2-CD1 4.32Å; W219-I222 HydrophobicContact CZ2-CD1 3.77Å
223Q95.8Very high93Very high45 Ų4557.9 Ų57.921%0.2126%0.261CS..EExtended strand (participates in β ladder)trans-146.7143.6-18069.6-161.9-34.900110.1I163 I164 R225I163-Q223 WeakPolarHBondContact CA-O 3.33Å; I164-Q223 HydrophobicContact CB-CG 4.23Å; I164-Q223 PolarHBondContact N-O 2.79Å; I164-Q223 PolarHBondContact O-N 3.32Å; Q223-R225 HydrophobicContact CG-CG 4.14Å; Q223-R225 VanDerWaalsContact OE1-CZ 3.31Å; Q223-R225 VanDerWaalsContact OE1-NH1 3.13Å
224L96.5Very high91.9Very high55 Ų5559.1 Ų59.129%0.28827%0.271SS..EExtended strand (participates in β ladder)trans-79.3113.6160.6178.663.9000106.7L161 I163 W211 E226 K227L161-L224 HydrophobicContact CB-CD1 3.73Å; L161-L224 HydrophobicContact CD2-CD1 4.21Å; L161-L224 HydrophobicContact CG-CD1 4.4Å; I163-L224 HydrophobicContact CG1-CD1 3.73Å; W211-L224 HydrophobicContact CD2-CB 4.44Å; W211-L224 HydrophobicContact CH2-CB 4.35Å; W211-L224 HydrophobicContact CZ2-CB 3.74Å; L224-E226 WeakPolarHBondContact CD1-O 3.31Å; L224-K227 HydrophobicContact CD2-CB 4.42Å
225R93.2Very high91Very high127 Ų12759.6 Ų59.648%0.47927%0.273SS..EExtended strand (participates in β ladder)trans-77.9-46.4178.7-79.9-59.7-162.6-172.30.5112.1W162 I164 Q223W162-R225 HydrophobicContact CB-CB 4.43Å; W162-R225 WeakPolarHBondContact O-CB 3.11Å; W162-R225 PolarHBondContact O-N 2.89Å; I164-R225 HydrophobicContact CB-CG 3.97Å; I164-R225 HydrophobicContact CD1-CG 3.44Å; I164-R225 VanDerWaalsContact CD1-CG 3.44Å; I164-R225 HydrophobicContact CG1-CB 4.5Å; I164-R225 HydrophobicContact CG1-CG 3.52Å; Q223-R225 HydrophobicContact CG-CG 4.14Å; Q223-R225 VanDerWaalsContact OE1-CZ 3.31Å; Q223-R225 VanDerWaalsContact OE1-NH1 3.13Å
226E92.2Very high90.1Very high39 Ų3960.2 Ų60.218%0.18228%0.275CS..EExtended strand (participates in β ladder)trans-148.3144.5-176.6-170.866.8-178.100109.7R86 W162 L224 E228 H270R86-E226 IonicContact CZ-OE1 3.28Å; R86-E226 IonicContact NE-OE1 2.61Å; R86-E226 PolarHBondContact NE-OE1 3.15Å; R86-E226 IonicContact NH2-OE1 3.63Å; R86-E226 PolarHBondContact NH2-OE1 2.6Å; W162-E226 HydrophobicContact CB-CB 4.21Å; W162-E226 HydrophobicContact CG-CB 4.44Å; W162-E226 PolarHBondContact N-O 3.3Å; W162-E226 PolarHBondContact O-N 2.88Å; L224-E226 WeakPolarHBondContact CD1-O 3.31Å; E226-E228 HydrophobicContact CG-CG 3.91Å; E226-H270 IonicContact OE1-NE2 2.76Å; E226-H270 IonicContact OE2-NE2 2.84Å
227K93.4Very high89.5Confident62 Ų6258.9 Ų58.927%0.2727%0.267SS..EExtended strand (participates in β ladder)trans-120.699.9168.3175.1170.8-167.6-178.50107.7L161 E204 D208 L224L161-K227 HydrophobicContact CD2-CB 3.84Å; L161-K227 HydrophobicContact CD2-CD 3.87Å; L161-K227 HydrophobicContact CD2-CG 3.52Å; E204-K227 VanDerWaalsContact CG-NZ 3.33Å; E204-K227 WeakPolarHBondContact OE1-CE 3.29Å; E204-K227 IonicContact OE1-NZ 3.67Å; E204-K227 PolarHBondContact OE1-NZ 3.44Å; D208-K227 IonicContact OD1-NZ 2.71Å; D208-K227 PolarHBondContact OD1-NZ 3.39Å; D208-K227 IonicContact OD2-NZ 3.65Å; D208-K227 PolarHBondContact OD2-NZ 3.44Å; L224-K227 HydrophobicContact CD2-CB 4.42Å
228E90.2Very high89Confident30 Ų3059 Ų5914%0.1427%0.265CS..EExtended strand (participates in β ladder)trans-85.2135.5177.7-62.5172.7-171.200109.8V159 C160 W162 E226 L230 R239V159-E228 CarbonylContact C-O 3.57Å; V159-E228 WeakPolarHBondContact CA-O 3.36Å; V159-E228 VanDerWaalsContact CB-O 3.32Å; V159-E228 WeakPolarHBondContact CB-O 3.48Å; C160-E228 HydrophobicContact CB-CB 4.16Å; C160-E228 PolarHBondContact N-O 3.33Å; C160-E228 PolarHBondContact O-N 3.48Å; W162-E228 PolarHBondContact NE1-OE1 3.15Å; E226-E228 HydrophobicContact CG-CG 3.91Å; E228-L230 HydrophobicContact CB-CD2 4.36Å; E228-R239 IonicContact OE2-CZ 2.76Å; E228-R239 IonicContact OE2-NH1 2.66Å; E228-R239 PolarHBondContact OE2-NH1 3.23Å; E228-R239 IonicContact OE2-NH2 3.75Å; E228-R239 PolarHBondContact OE2-NH2 2.95Å
229I89.6Confident88.7Confident25 Ų2551.6 Ų51.613%0.12823%0.23CC..EExtended strand (participates in β ladder)trans-94.2113.1169.8-60.6157.3000107.6L87 S89 I99 K157 V159 I232L87-I229 HydrophobicContact CB-CB 4.4Å; L87-I229 HydrophobicContact CB-CG2 4.4Å; L87-I229 HydrophobicContact CD2-CG2 3.91Å; S89-I229 WeakPolarHBondContact OG-CD1 3.4Å; I99-I229 WeakPolarHBondContact CG2-O 3.14Å; K157-I229 HydrophobicContact CB-CG2 4.5Å; K157-I229 HydrophobicContact CD-CD1 4.44Å; K157-I229 HydrophobicContact CD-CG1 4.48Å; K157-I229 HydrophobicContact CD-CG2 4.39Å; V159-I229 HydrophobicContact CG1-CG1 4.41Å; I229-I232 HydrophobicContact CG2-CG1 4.24Å
230L88.2Confident88.4Confident1 Ų149.6 Ų49.61%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-81.7-31.5-174.7-57.1173.2000112.2I99 R100 T158 C160 E201 E228 Y235I99-L230 WeakPolarHBondContact CG2-O 3.3Å; I99-L230 PolarHBondContact N-O 3.15Å; I99-L230 VanDerWaalsContact N-O 3.15Å; R100-L230 HydrophobicContact CG-CD2 4.33Å; R100-L230 VanDerWaalsContact CZ-CD2 3.5Å; T158-L230 HydrophobicContact CG2-CB 4.5Å; T158-L230 HydrophobicContact CG2-CD1 4.06Å; T158-L230 WeakPolarHBondContact O-CB 3.22Å; T158-L230 PolarHBondContact O-N 3.16Å; C160-L230 HydrophobicContact CB-CD1 4.01Å; C160-L230 HydrophobicContact CB-CD2 3.94Å; C160-L230 HydrophobicContact CB-CG 4.15Å; E201-L230 HydrophobicContact CB-CD1 4.48Å; E201-L230 HydrophobicContact CG-CD1 4.47Å; E228-L230 HydrophobicContact CB-CD2 4.36Å; L230-Y235 HydrophobicContact CB-CD1 4.24Å; L230-Y235 HydrophobicContact CB-CE1 3.41Å; L230-Y235 VanDerWaalsContact CB-CE1 3.41Å; L230-Y235 HydrophobicContact CD1-CE1 4.41Å; L230-Y235 VanDerWaalsContact O-CE2 3.24Å; L230-Y235 WeakPolarHBondContact O-CE2 3.24Å
231G85.7Confident88Confident0 Ų049 Ų490%022%0.222CC..EExtended strand (participates in β ladder)trans174.3172.7175.700000111.7I97 T158I97-G231 WeakPolarHBondContact O-CA 3.23Å; T158-G231 PolarHBondContact N-O 3Å; T158-G231 PolarHBondContact O-N 2.77Å
232I83.7Confident87.7Confident5 Ų549.8 Ų49.83%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-125.7148.5-177.2-55-160.1000110.7L87 I94 G96 N154 K157 I229 L234L87-I232 HydrophobicContact CD2-CG1 4.12Å; I94-I232 HydrophobicContact CD1-CD1 3.12Å; I94-I232 HydrophobicContact CD1-CG1 3.77Å; I94-I232 HydrophobicContact CG1-CB 4.5Å; I94-I232 HydrophobicContact CG1-CD1 3.8Å; I94-I232 HydrophobicContact CG1-CG1 4.24Å; G96-I232 PolarHBondContact N-O 3.38Å; G96-I232 VanDerWaalsContact N-O 3.16Å; N154-I232 WeakPolarHBondContact O-CG2 3.45Å; K157-I232 HydrophobicContact CD-CD1 4.22Å; K157-I232 HydrophobicContact CG-CD1 4.03Å; K157-I232 HydrophobicContact CG-CG1 4.11Å; I229-I232 HydrophobicContact CG2-CG1 4.24Å; I232-L234 PolarHBondContact O-N 3.1Å
233G79.6Confident87.6Confident4 Ų449.2 Ų49.24%0.04123%0.231CC..SBendtrans76-116175.700000111.1E156 Y235 R236E156-G233 PolarHBondContact O-N 2.85Å; G233-Y235 PolarHBondContact O-N 3.11Å; G233-Y235 VanDerWaalsContact O-N 3.15Å; G233-R236 PolarHBondContact O-NH1 2.67Å
234L75.1Confident87.6Confident72 Ų7248 Ų4838%0.37723%0.225SC..SBendtrans-75.65.5-176.7-61.6177.9000114.4I138 I232 R236I138-L234 HydrophobicContact CD1-CD1 4.19Å; I232-L234 PolarHBondContact O-N 3.1Å; L234-R236 PolarHBondContact O-N 3.49Å
235Y78.4Confident87.5Confident10 Ų1047.8 Ų47.84%0.03922%0.223CC..  trans-62.4125.1177.7-175.5-86.8000111.2N98 R100 T158 L230 G233 I237N98-Y235 HydrophobicContact CB-CD2 4.21Å; N98-Y235 HydrophobicContact CB-CE2 3.72Å; N98-Y235 VanDerWaalsContact CG-CE2 3.47Å; N98-Y235 WeakPolarHBondContact OD1-CE2 3.48Å; N98-Y235 PolarHBondContact OD1-OH 3.31Å; R100-Y235 PolarHBondContact NH1-OH 2.88Å; T158-Y235 VanDerWaalsContact CB-CD1 3.44Å; T158-Y235 HydrophobicContact CG2-CD1 3.78Å; T158-Y235 HydrophobicContact CG2-CE1 3.89Å; T158-Y235 PolarHBondContact OG1-O 3.44Å; T158-Y235 VanDerWaalsContact OG1-O 3.06Å; L230-Y235 HydrophobicContact CB-CD1 4.24Å; L230-Y235 HydrophobicContact CB-CE1 3.41Å; L230-Y235 VanDerWaalsContact CB-CE1 3.41Å; L230-Y235 HydrophobicContact CD1-CE1 4.41Å; L230-Y235 VanDerWaalsContact O-CE2 3.24Å; L230-Y235 WeakPolarHBondContact O-CE2 3.24Å; G233-Y235 PolarHBondContact O-N 3.11Å; G233-Y235 VanDerWaalsContact O-N 3.15Å; Y235-I237 HydrophobicContact CE1-CB 4.5Å; Y235-I237 WeakPolarHBondContact CE1-O 3.16Å; Y235-I237 HydrophobicContact CE2-CB 4.26Å; Y235-I237 PolarHBondContact OH-O 3.22Å
236R78.8Confident87.6Confident123 Ų12345.2 Ų45.246%0.46422%0.216SC..  trans-1341.8178.4-61-65.6178.9-94.85.7114.1E156 G233 L234E156-R236 IonicContact OE2-NH2 2.82Å; G233-R236 PolarHBondContact O-NH1 2.67Å; L234-R236 PolarHBondContact O-N 3.49Å
237I83.2Confident87.5Confident88 Ų8844.1 Ų44.145%0.45121%0.212SC..  trans-77.6125.7-174.1-62.2168.2000110.1N98 R100 Y235N98-I237 VanDerWaalsContact ND2-CD1 3.31Å; N98-I237 WeakPolarHBondContact ND2-CD1 3.43Å; R100-I237 PolarHBondContact NH1-O 3.46Å; Y235-I237 HydrophobicContact CE1-CB 4.5Å; Y235-I237 WeakPolarHBondContact CE1-O 3.16Å; Y235-I237 HydrophobicContact CE2-CB 4.26Å; Y235-I237 PolarHBondContact OH-O 3.22Å
238R87.3Confident87.2Confident41 Ų4146.9 Ų46.916%0.15523%0.233CC..  trans-120.2153.6179.3-57.6-170.3-168.6173.7-0.1110.1E185 T187 E201 Q241E185-R238 PolarHBondContact O-NH1 2.98Å; T187-R238 WeakPolarHBondContact OG1-CD 3.12Å; E201-R238 PolarHBondContact O-NH1 2.85Å; E201-R238 WeakPolarHBondContact OE2-CA 3.12Å; E201-R238 WeakPolarHBondContact OE2-CB 2.81Å; R238-Q241 WeakPolarHBondContact O-CG 3.33Å; R238-Q241 PolarHBondContact O-NE2 3.3Å
239R88.4Confident86.8Confident23 Ų2348.5 Ų48.59%0.08724%0.243CC..SBendtrans-67.6-42.7172.2-72.1-178.9-176.8113.5-9109.6E201 E228 Q241 H261 E267E201-R239 WeakPolarHBondContact OE1-CB 3.34Å; E201-R239 WeakPolarHBondContact OE1-CD 3.42Å; E201-R239 WeakPolarHBondContact OE1-CG 3.41Å; E201-R239 IonicContact OE1-NH1 3.36Å; E201-R239 PolarHBondContact OE1-NH1 3.28Å; E201-R239 PolarHBondContact OE2-N 3.09Å; E228-R239 IonicContact OE2-CZ 2.76Å; E228-R239 IonicContact OE2-NH1 2.66Å; E228-R239 PolarHBondContact OE2-NH1 3.23Å; E228-R239 IonicContact OE2-NH2 3.75Å; E228-R239 PolarHBondContact OE2-NH2 2.95Å; R239-Q241 PolarHBondContact O-N 3.49Å; R239-H261 HydrophobicContact CB-CB 4.41Å; R239-H261 WeakPolarHBondContact CB-O 3.34Å; R239-H261 VanDerWaalsContact CD-O 3.31Å; R239-H261 WeakPolarHBondContact CD-O 3.28Å; R239-H261 WeakPolarHBondContact CG-O 3.46Å; R239-E267 IonicContact NH2-OE1 2.7Å; R239-E267 PolarHBondContact NH2-OE1 3.26Å; R239-E267 IonicContact NH2-OE2 2.81Å; R239-E267 PolarHBondContact NH2-OE2 3.12Å; R239-E267 VanDerWaalsContact NH2-OE2 3.14Å
240F90.8Very high86.4Confident0 Ų050.1 Ų50.10%026%0.256CS..  trans-99.465.4-173.5-47.9-69.4000111T187 I199 E201 D242 G243 W257 L258 H261T187-F240 WeakPolarHBondContact CB-O 3.31Å; T187-F240 VanDerWaalsContact CG2-O 3.23Å; T187-F240 WeakPolarHBondContact CG2-O 3.19Å; I199-F240 HydrophobicContact CB-CE2 4.42Å; I199-F240 HydrophobicContact CD1-CZ 4.43Å; I199-F240 HydrophobicContact CG2-CE2 3.75Å; I199-F240 HydrophobicContact CG2-CZ 4.21Å; E201-F240 HydrophobicContact CG-CD2 3.92Å; E201-F240 HydrophobicContact CG-CE2 4.1Å; E201-F240 WeakPolarHBondContact OE1-CE2 3.42Å; F240-D242 PolarHBondContact O-N 3.14Å; F240-G243 PolarHBondContact O-N 3.31Å; F240-W257 AromaticContact CD1-CH2 3.48Å; F240-W257 HydrophobicContact CD1-CH2 3.48Å; F240-W257 VanDerWaalsContact CD1-CH2 3.48Å; F240-W257 AromaticContact CD1-CZ3 3.94Å; F240-W257 HydrophobicContact CD1-CZ3 3.94Å; F240-W257 HydrophobicContact CE1-CE3 4.43Å; F240-W257 AromaticContact CE1-CH2 3.33Å; F240-W257 HydrophobicContact CE1-CH2 3.33Å; F240-W257 AromaticContact CE1-CZ3 3.26Å; F240-W257 HydrophobicContact CE1-CZ3 3.26Å; F240-W257 HydrophobicContact CZ-CH2 4.45Å; F240-W257 HydrophobicContact CZ-CZ3 4.11Å; F240-L258 HydrophobicContact CZ-CD2 4.36Å; F240-H261 HydrophobicContact CD1-CB 4.3Å; F240-H261 AromaticContact CD1-CD2 3.62Å; F240-H261 HydrophobicContact CE1-CB 3.78Å; F240-H261 AromaticContact CE1-CD2 3.91Å; F240-H261 AromaticContact CE1-CG 3.84Å
241Q86.1Confident85.7Confident152 Ų15254.5 Ų54.571%0.7128%0.277SS*.THydrogen-bonded Turntrans-67.4-21.3-172.3-60.3-175.24.200113.7R238 R239R238-Q241 WeakPolarHBondContact O-CG 3.33Å; R238-Q241 PolarHBondContact O-NE2 3.3Å; R239-Q241 PolarHBondContact O-N 3.49Å
242D89.6Confident85.2Confident111 Ų11161.5 Ų61.559%0.59431%0.309SS*.THydrogen-bonded Turntrans-88.8-1.2-176.366.5-26.8000113.9F240 H245F240-D242 PolarHBondContact O-N 3.14Å; D242-H245 IonicContact OD1-CD2 2.87Å; D242-H245 IonicContact OD1-CE1 3.84Å; D242-H245 IonicContact OD1-NE2 2.77Å; D242-H245 PolarHBondContact OD1-NE2 3.06Å; D242-H245 IonicContact OD2-CD2 2.82Å; D242-H245 IonicContact OD2-CE1 3.22Å; D242-H245 PolarHBondContact OD2-CE1 3.14Å; D242-H245 VanDerWaalsContact OD2-CE1 3.22Å; D242-H245 IonicContact OD2-NE2 2.67Å; D242-H245 PolarHBondContact OD2-NE2 3.09Å
243G93.6Very high85.3Confident20 Ų2063.5 Ų63.521%0.20632%0.324CS..  trans128.8-148.8170.900000114.6T187 G188 F240T187-G243 CarbonylContact C-O 3.55Å; T187-G243 WeakPolarHBondContact CA-O 3.3Å; T187-G243 WeakPolarHBondContact CB-O 3.27Å; G188-G243 PolarHBondContact N-O 3Å; F240-G243 PolarHBondContact O-N 3.31Å
244F96.5Very high85.7Confident19 Ų1963.5 Ų63.58%0.08332%0.323CS..EExtended strand (participates in β ladder)trans-119.9122179.5-164-81000110.8I177 L178 S181 G188 C189 Y190 V198 I199 V200I177-F244 HydrophobicContact CG2-CE1 3.76Å; I177-F244 HydrophobicContact CG2-CZ 4.24Å; L178-F244 HydrophobicContact CD2-CD1 4.05Å; S181-F244 VanDerWaalsContact CB-CG 3.45Å; S181-F244 WeakPolarHBondContact OG-CD1 3.37Å; S181-F244 WeakPolarHBondContact OG-CG 3.22Å; G188-F244 VanDerWaalsContact CA-CD2 3.44Å; G188-F244 VanDerWaalsContact O-CA 3.3Å; G188-F244 WeakPolarHBondContact O-CA 3.49Å; C189-F244 VanDerWaalsContact C-CZ 3.44Å; C189-F244 WeakPolarHBondContact O-CZ 3.36Å; Y190-F244 AromaticContact CD1-CE1 3.77Å; Y190-F244 HydrophobicContact CD1-CE1 3.77Å; V198-F244 HydrophobicContact CG1-CZ 4.15Å; I199-F244 VanDerWaalsContact O-CE2 3.26Å; I199-F244 WeakPolarHBondContact O-CE2 3.49Å; V200-F244 HydrophobicContact CB-CE2 4.44Å; V200-F244 HydrophobicContact CG1-CD2 4.24Å; V200-F244 HydrophobicContact CG1-CE2 3.39Å; V200-F244 HydrophobicContact CG1-CZ 4.08Å
245H93.9Very high86.3Confident52 Ų5260.6 Ų60.624%0.24131%0.307CS..EExtended strand (participates in β ladder)trans-117.2145.2-166.8-54.6-70.5000114.5G188 C189 Y190 D242 L247G188-H245 PolarHBondContact O-N 2.55Å; C189-H245 CarbonylContact C-O 3.48Å; C189-H245 WeakPolarHBondContact CA-O 3.27Å; C189-H245 HydrophobicContact CB-CB 4.43Å; C189-H245 WeakPolarHBondContact CB-O 3.21Å; Y190-H245 WeakPolarHBondContact CD1-O 3.36Å; Y190-H245 PolarHBondContact N-O 2.84Å; D242-H245 IonicContact OD1-CD2 2.87Å; D242-H245 IonicContact OD1-CE1 3.84Å; D242-H245 IonicContact OD1-NE2 2.77Å; D242-H245 PolarHBondContact OD1-NE2 3.06Å; D242-H245 IonicContact OD2-CD2 2.82Å; D242-H245 IonicContact OD2-CE1 3.22Å; D242-H245 PolarHBondContact OD2-CE1 3.14Å; D242-H245 VanDerWaalsContact OD2-CE1 3.22Å; D242-H245 IonicContact OD2-NE2 2.67Å; D242-H245 PolarHBondContact OD2-NE2 3.09Å; H245-L247 HydrophobicContact CB-CD2 4.23Å
246E94.6Very high86.8Confident73 Ų7361 Ų6134%0.34131%0.312SS..EExtended strand (participates in β ladder)trans-84.8121.7159.8-178.4169.2-173.300109.1R174 Y190 T248R174-E246 IonicContact CZ-OE1 3.19Å; R174-E246 IonicContact NH1-OE1 3.85Å; R174-E246 PolarHBondContact NH1-OE1 3Å; R174-E246 VanDerWaalsContact NH1-OE1 3.15Å; Y190-E246 HydrophobicContact CD1-CB 4.17Å; Y190-E246 VanDerWaalsContact CE1-CA 3.49Å; Y190-E246 HydrophobicContact CE1-CB 3.37Å; Y190-E246 HydrophobicContact CE1-CG 3.75Å; Y190-E246 HydrophobicContact CE2-CB 4.45Å; Y190-E246 HydrophobicContact CE2-CG 3.88Å; Y190-E246 WeakPolarHBondContact OH-CG 3.47Å; Y190-E246 PolarHBondContact OH-OE1 3.29Å; Y190-E246 PolarHBondContact OH-OE2 2.9Å; E246-T248 HydrophobicContact CG-CG2 4.25Å
247L91.8Very high87.4Confident16 Ų1657 Ų578%0.08430%0.297CS..  trans-104.7106.1179.3-62.7178.2000110.5C189 Y190 M191 P192 H245 L249 W257C189-L247 HydrophobicContact CB-CD1 3.52Å; C189-L247 HydrophobicContact CB-CG 3.85Å; C189-L247 VanDerWaalsContact SG-CD1 3.56Å; Y190-L247 PolarHBondContact O-N 3.46Å; M191-L247 HydrophobicContact CE-CD1 3.42Å; M191-L247 VanDerWaalsContact CE-CD1 3.42Å; M191-L247 HydrophobicContact CG-CB 3.71Å; M191-L247 HydrophobicContact CG-CD1 3.94Å; M191-L247 HydrophobicContact CG-CG 4.42Å; M191-L247 HydrophobicContact SD-CD1 4.47Å; P192-L247 WeakPolarHBondContact CD-O 3.4Å; H245-L247 HydrophobicContact CB-CD2 4.23Å; L247-L249 HydrophobicContact CB-CD1 4.47Å; L247-L249 HydrophobicContact CB-CG 4.43Å; L247-L249 PolarHBondContact O-N 3.35Å; L247-L249 VanDerWaalsContact O-N 3.14Å; L247-W257 HydrophobicContact CD1-CD2 3.61Å; L247-W257 HydrophobicContact CD1-CE3 3.4Å; L247-W257 HydrophobicContact CD1-CG 4.4Å; L247-W257 HydrophobicContact CD1-CH2 3.75Å; L247-W257 HydrophobicContact CD1-CZ2 3.96Å; L247-W257 HydrophobicContact CD1-CZ3 3.46Å; L247-W257 VanDerWaalsContact CD1-CZ3 3.46Å; L247-W257 HydrophobicContact CD2-CD2 4.09Å; L247-W257 HydrophobicContact CD2-CH2 4.26Å; L247-W257 HydrophobicContact CD2-CZ2 3.69Å; L247-W257 HydrophobicContact CG-CH2 4.49Å; L247-W257 HydrophobicContact CG-CZ2 4.39Å
248T85.1Confident87.7Confident119 Ų11952.9 Ų52.973%0.7328%0.275SS*.  trans-88.949.2176.5500000111.4E246E246-T248 HydrophobicContact CG-CG2 4.25Å
249L82.4Confident87.8Confident64 Ų6455.1 Ų55.134%0.33529%0.287SS..  trans-97151.2-178.7-61.9177.2000111.5L247 W257L247-L249 HydrophobicContact CB-CD1 4.47Å; L247-L249 HydrophobicContact CB-CG 4.43Å; L247-L249 PolarHBondContact O-N 3.35Å; L247-L249 VanDerWaalsContact O-N 3.14Å; L249-W257 HydrophobicContact CD1-CB 3.56Å; L249-W257 HydrophobicContact CD1-CG 3.76Å
250S81.6Confident87.8Confident59 Ų5961 Ų6141%0.41332%0.316SS..  trans-62.6154.1165.571.60000109.8Q252 S253 W254S250-Q252 PolarHBondContact O-N 3.05Å; S250-S253 PolarHBondContact O-N 3.06Å; S250-S253 PolarHBondContact OG-N 2.86Å; S250-S253 PolarHBondContact OG-OG 2.77Å; S250-S253 VanDerWaalsContact OG-OG 3.12Å; S250-W254 PolarHBondContact O-N 2.86Å
251Q73.9Confident87.6Confident94 Ų9463 Ų6344%0.43933%0.325SS..G310 helixtrans-59.6-32.7179.9-168-179.617.100112.4S253 W254Q251-S253 PolarHBondContact O-N 3.36Å; Q251-W254 HydrophobicContact CG-CD2 4.15Å; Q251-W254 HydrophobicContact CG-CE3 4.24Å; Q251-W254 WeakPolarHBondContact O-CB 3.43Å; Q251-W254 PolarHBondContact O-N 3.49Å
252Q75.4Confident87.6Confident146 Ų14658.1 Ų58.168%0.68232%0.316SS*.G310 helixtrans-64.9-28.9176.6-65.580.81.200112.4S250S250-Q252 PolarHBondContact O-N 3.05Å
253S85.6Confident87.4Confident47 Ų4752.9 Ų52.933%0.32929%0.288SS..G310 helixtrans-90.8-5.4-179.1-58.30000113.7S250 Q251 F255 S256 W257S250-S253 PolarHBondContact O-N 3.06Å; S250-S253 PolarHBondContact OG-N 2.86Å; S250-S253 PolarHBondContact OG-OG 2.77Å; S250-S253 VanDerWaalsContact OG-OG 3.12Å; Q251-S253 PolarHBondContact O-N 3.36Å; S253-F255 VanDerWaalsContact C-N 3.35Å; S253-F255 PolarHBondContact O-N 2.83Å; S253-S256 PolarHBondContact O-N 3.06Å; S253-W257 PolarHBondContact O-N 3.04Å
254W87.3Confident86.9Confident5 Ų553.7 Ų53.72%0.01929%0.288CS..Hα-helixtrans-57.7-48.7179.2-726.6000111.5M191 P195 L197 S250 Q251 W257 L258M191-W254 HydrophobicContact CB-CH2 4.29Å; M191-W254 HydrophobicContact CB-CZ2 3.62Å; M191-W254 HydrophobicContact CE-CB 4.36Å; M191-W254 HydrophobicContact CE-CG 4.34Å; M191-W254 HydrophobicContact CG-CZ2 4.45Å; M191-W254 HydrophobicContact SD-CB 3.93Å; M191-W254 HydrophobicContact SD-CD2 3.3Å; M191-W254 HydrophobicContact SD-CE3 3.87Å; M191-W254 HydrophobicContact SD-CG 3.33Å; M191-W254 HydrophobicContact SD-CZ2 4.12Å; M191-W254 HydrophobicContact SD-CZ3 4.45Å; P195-W254 HydrophobicContact CG-CH2 4.31Å; P195-W254 HydrophobicContact CG-CZ3 4.32Å; P195-W254 WeakPolarHBondContact O-CH2 3.42Å; L197-W254 HydrophobicContact CB-CH2 4.05Å; L197-W254 HydrophobicContact CB-CZ3 4.04Å; L197-W254 HydrophobicContact CD2-CE3 4.31Å; L197-W254 HydrophobicContact CD2-CZ3 4.3Å; S250-W254 PolarHBondContact O-N 2.86Å; Q251-W254 HydrophobicContact CG-CD2 4.15Å; Q251-W254 HydrophobicContact CG-CE3 4.24Å; Q251-W254 WeakPolarHBondContact O-CB 3.43Å; Q251-W254 PolarHBondContact O-N 3.49Å; W254-W257 PolarHBondContact O-N 3.11Å; W254-L258 WeakPolarHBondContact O-CB 3.48Å; W254-L258 VanDerWaalsContact O-CG 3.23Å; W254-L258 WeakPolarHBondContact O-CG 3.37Å; W254-L258 PolarHBondContact O-N 2.98Å
255F87.8Confident86.2Confident10 Ų1054.2 Ų54.24%0.04430%0.295CS..Hα-helixtrans-65-42.1-178.3178.4-113.6000111.7S253 W257 L258 H259 Y268 G276 R277 L278S253-F255 VanDerWaalsContact C-N 3.35Å; S253-F255 PolarHBondContact O-N 2.83Å; F255-W257 VanDerWaalsContact C-N 3.32Å; F255-W257 PolarHBondContact O-N 3.34Å; F255-L258 PolarHBondContact O-N 2.82Å; F255-H259 HydrophobicContact CE1-CB 4.41Å; F255-H259 HydrophobicContact CE2-CB 4.34Å; F255-H259 HydrophobicContact CZ-CB 4.2Å; F255-H259 AromaticContact CZ-CD2 3.9Å; F255-H259 WeakPolarHBondContact O-CB 3.19Å; F255-H259 PolarHBondContact O-N 3.3Å; F255-Y268 HydrophobicContact CB-CD2 4.39Å; F255-Y268 HydrophobicContact CB-CE2 4.17Å; F255-Y268 HydrophobicContact CD2-CD1 4.18Å; F255-Y268 AromaticContact CD2-CD2 3.68Å; F255-Y268 HydrophobicContact CD2-CD2 3.68Å; F255-Y268 HydrophobicContact CD2-CE2 4.3Å; F255-Y268 AromaticContact CD2-CG 3.61Å; F255-Y268 HydrophobicContact CD2-CG 3.61Å; F255-Y268 HydrophobicContact CE2-CG 4.2Å; F255-Y268 HydrophobicContact CG-CD2 4.48Å; F255-Y268 HydrophobicContact CG-CG 4.46Å; F255-G276 VanDerWaalsContact CE1-C 3.41Å; F255-G276 VanDerWaalsContact CG-CA 3.46Å; F255-R277 VanDerWaalsContact CD1-N 3.3Å; F255-L278 HydrophobicContact CD1-CD2 3.94Å; F255-L278 HydrophobicContact CD1-CG 4.31Å; F255-L278 HydrophobicContact CE1-CD2 3.87Å; F255-L278 HydrophobicContact CE1-CG 3.94Å
256S89.1Confident85.3Confident20 Ų2055.8 Ų55.814%0.1430%0.302CS..Hα-helixtrans-55.9-47.9177.4-52.20000112S253 H259 E260 P279S253-S256 PolarHBondContact O-N 3.06Å; S256-H259 PolarHBondContact O-N 3.28Å; S256-E260 WeakPolarHBondContact O-CG 3.31Å; S256-E260 PolarHBondContact O-N 3.48Å; S256-P279 WeakPolarHBondContact OG-CD 3.4Å
257W90.5Very high84.6Confident39 Ų3953.7 Ų53.715%0.14829%0.292CS..Hα-helixtrans-66.5-41.4179.1-172.288.5000112C189 M191 F240 L247 L249 S253 W254 F255 H259 E260 H261C189-W257 HydrophobicContact CB-CH2 3.92Å; C189-W257 HydrophobicContact CB-CZ3 4.11Å; C189-W257 VanDerWaalsContact SG-CZ3 3.55Å; M191-W257 HydrophobicContact CE-CE3 4.31Å; F240-W257 AromaticContact CD1-CH2 3.48Å; F240-W257 HydrophobicContact CD1-CH2 3.48Å; F240-W257 VanDerWaalsContact CD1-CH2 3.48Å; F240-W257 AromaticContact CD1-CZ3 3.94Å; F240-W257 HydrophobicContact CD1-CZ3 3.94Å; F240-W257 HydrophobicContact CE1-CE3 4.43Å; F240-W257 AromaticContact CE1-CH2 3.33Å; F240-W257 HydrophobicContact CE1-CH2 3.33Å; F240-W257 AromaticContact CE1-CZ3 3.26Å; F240-W257 HydrophobicContact CE1-CZ3 3.26Å; F240-W257 HydrophobicContact CZ-CH2 4.45Å; F240-W257 HydrophobicContact CZ-CZ3 4.11Å; L247-W257 HydrophobicContact CD1-CD2 3.61Å; L247-W257 HydrophobicContact CD1-CE3 3.4Å; L247-W257 HydrophobicContact CD1-CG 4.4Å; L247-W257 HydrophobicContact CD1-CH2 3.75Å; L247-W257 HydrophobicContact CD1-CZ2 3.96Å; L247-W257 HydrophobicContact CD1-CZ3 3.46Å; L247-W257 VanDerWaalsContact CD1-CZ3 3.46Å; L247-W257 HydrophobicContact CD2-CD2 4.09Å; L247-W257 HydrophobicContact CD2-CH2 4.26Å; L247-W257 HydrophobicContact CD2-CZ2 3.69Å; L247-W257 HydrophobicContact CG-CH2 4.49Å; L247-W257 HydrophobicContact CG-CZ2 4.39Å; L249-W257 HydrophobicContact CD1-CB 3.56Å; L249-W257 HydrophobicContact CD1-CG 3.76Å; S253-W257 PolarHBondContact O-N 3.04Å; W254-W257 PolarHBondContact O-N 3.11Å; F255-W257 VanDerWaalsContact C-N 3.32Å; F255-W257 PolarHBondContact O-N 3.34Å; W257-H259 VanDerWaalsContact C-N 3.31Å; W257-H259 PolarHBondContact O-N 3.46Å; W257-E260 PolarHBondContact O-N 2.99Å; W257-H261 AromaticContact CD2-CE1 3.83Å; W257-H261 AromaticContact CD2-ND1 3.75Å; W257-H261 AromaticContact CE2-CE1 3.25Å; W257-H261 AromaticContact CE2-ND1 3.65Å; W257-H261 AromaticContact CE2-NE2 3.99Å; W257-H261 AromaticContact CE3-ND1 3.91Å; W257-H261 AromaticContact CH2-CE1 3.83Å; W257-H261 AromaticContact CH2-ND1 3.95Å; W257-H261 AromaticContact CH2-NE2 3.92Å; W257-H261 AromaticContact CZ2-CE1 3.25Å; W257-H261 WeakPolarHBondContact CZ2-CE1 3.1Å; W257-H261 AromaticContact CZ2-ND1 3.77Å; W257-H261 AromaticContact CZ2-NE2 3.51Å; W257-H261 AromaticContact NE1-CE1 3.56Å; W257-H261 PolarHBondContact O-N 3.43Å; W257-H261 PolarHBondContact O-ND1 2.95Å
258L90.8Very high84.3Confident0 Ų053.5 Ų53.50%029%0.291CS..Hα-helixtrans-64.8-37.4176-70172.8000112.1W162 M191 I199 F240 W254 F255 H261 G262 V263 Y268W162-L258 HydrophobicContact CH2-CD1 4.43Å; W162-L258 HydrophobicContact CH2-CD2 4.35Å; W162-L258 HydrophobicContact CZ3-CD1 4.22Å; M191-L258 HydrophobicContact CE-CD1 4.21Å; M191-L258 HydrophobicContact CE-CD2 4.05Å; M191-L258 HydrophobicContact CE-CG 4.02Å; I199-L258 HydrophobicContact CD1-CD1 4.37Å; I199-L258 HydrophobicContact CD1-CD2 3.29Å; I199-L258 HydrophobicContact CD1-CG 4.46Å; F240-L258 HydrophobicContact CZ-CD2 4.36Å; W254-L258 WeakPolarHBondContact O-CB 3.48Å; W254-L258 VanDerWaalsContact O-CG 3.23Å; W254-L258 WeakPolarHBondContact O-CG 3.37Å; W254-L258 PolarHBondContact O-N 2.98Å; F255-L258 PolarHBondContact O-N 2.82Å; L258-H261 CarbonylContact O-C 3.32Å; L258-H261 WeakPolarHBondContact O-CA 3.5Å; L258-H261 PolarHBondContact O-N 3.15Å; L258-G262 PolarHBondContact O-N 3.36Å; L258-V263 HydrophobicContact CB-CB 3.85Å; L258-V263 HydrophobicContact CB-CG1 4.33Å; L258-V263 HydrophobicContact CB-CG2 3.93Å; L258-V263 HydrophobicContact CD2-CG2 4.28Å; L258-V263 WeakPolarHBondContact O-CB 3.37Å; L258-V263 WeakPolarHBondContact O-CG2 3.27Å; L258-V263 PolarHBondContact O-N 2.97Å; L258-Y268 HydrophobicContact CD1-CD2 3.88Å; L258-Y268 HydrophobicContact CD1-CE2 3.76Å
259H88.4Confident84.3Confident88 Ų8854.1 Ų54.141%0.40728%0.28SS..Hα-helixtrans-64.8-40.9177.4-179-85.7000111.7F255 S256 W257 H261 G262 V263 L278F255-H259 HydrophobicContact CE1-CB 4.41Å; F255-H259 HydrophobicContact CE2-CB 4.34Å; F255-H259 HydrophobicContact CZ-CB 4.2Å; F255-H259 AromaticContact CZ-CD2 3.9Å; F255-H259 WeakPolarHBondContact O-CB 3.19Å; F255-H259 PolarHBondContact O-N 3.3Å; S256-H259 PolarHBondContact O-N 3.28Å; W257-H259 VanDerWaalsContact C-N 3.31Å; W257-H259 PolarHBondContact O-N 3.46Å; H259-H261 PolarHBondContact O-N 2.85Å; H259-G262 PolarHBondContact O-N 3.21Å; H259-V263 WeakPolarHBondContact CA-O 3.39Å; H259-L278 HydrophobicContact CB-CD2 4.16Å
260E88.3Confident84.2Confident146 Ų14654.9 Ų54.968%0.68228%0.281SS*.Hα-helixtrans-59.2-27171.2-71.9169.5-173.400112.6S256 W257S256-E260 WeakPolarHBondContact O-CG 3.31Å; S256-E260 PolarHBondContact O-N 3.48Å; W257-E260 PolarHBondContact O-N 2.99Å
261H88.1Confident84.3Confident43 Ų4352.5 Ų52.520%0.19926%0.264CS..THydrogen-bonded Turntrans-95.415.9175.6-65.975.4000113.1R239 F240 W257 L258 H259R239-H261 HydrophobicContact CB-CB 4.41Å; R239-H261 WeakPolarHBondContact CB-O 3.34Å; R239-H261 VanDerWaalsContact CD-O 3.31Å; R239-H261 WeakPolarHBondContact CD-O 3.28Å; R239-H261 WeakPolarHBondContact CG-O 3.46Å; F240-H261 HydrophobicContact CD1-CB 4.3Å; F240-H261 AromaticContact CD1-CD2 3.62Å; F240-H261 HydrophobicContact CE1-CB 3.78Å; F240-H261 AromaticContact CE1-CD2 3.91Å; F240-H261 AromaticContact CE1-CG 3.84Å; W257-H261 AromaticContact CD2-CE1 3.83Å; W257-H261 AromaticContact CD2-ND1 3.75Å; W257-H261 AromaticContact CE2-CE1 3.25Å; W257-H261 AromaticContact CE2-ND1 3.65Å; W257-H261 AromaticContact CE2-NE2 3.99Å; W257-H261 AromaticContact CE3-ND1 3.91Å; W257-H261 AromaticContact CH2-CE1 3.83Å; W257-H261 AromaticContact CH2-ND1 3.95Å; W257-H261 AromaticContact CH2-NE2 3.92Å; W257-H261 AromaticContact CZ2-CE1 3.25Å; W257-H261 WeakPolarHBondContact CZ2-CE1 3.1Å; W257-H261 AromaticContact CZ2-ND1 3.77Å; W257-H261 AromaticContact CZ2-NE2 3.51Å; W257-H261 AromaticContact NE1-CE1 3.56Å; W257-H261 PolarHBondContact O-N 3.43Å; W257-H261 PolarHBondContact O-ND1 2.95Å; L258-H261 CarbonylContact O-C 3.32Å; L258-H261 WeakPolarHBondContact O-CA 3.5Å; L258-H261 PolarHBondContact O-N 3.15Å; H259-H261 PolarHBondContact O-N 2.85Å
262G84.5Confident84.8Confident50 Ų5049.9 Ų49.952%0.51525%0.251SS..THydrogen-bonded Turntrans80.723.6172.900000115.1L258 H259L258-G262 PolarHBondContact O-N 3.36Å; H259-G262 PolarHBondContact O-N 3.21Å
263V85.7Confident85Confident1 Ų145.7 Ų45.71%0.00625%0.247CC..  trans-88.4122.1169.1-178.80000109.7W162 L258 H259 E267W162-V263 HydrophobicContact CH2-CG1 4Å; W162-V263 HydrophobicContact CH2-CG2 3.89Å; W162-V263 HydrophobicContact CZ2-CG1 4.42Å; W162-V263 HydrophobicContact CZ2-CG2 4.2Å; L258-V263 HydrophobicContact CB-CB 3.85Å; L258-V263 HydrophobicContact CB-CG1 4.33Å; L258-V263 HydrophobicContact CB-CG2 3.93Å; L258-V263 HydrophobicContact CD2-CG2 4.28Å; L258-V263 WeakPolarHBondContact O-CB 3.37Å; L258-V263 WeakPolarHBondContact O-CG2 3.27Å; L258-V263 PolarHBondContact O-N 2.97Å; H259-V263 WeakPolarHBondContact CA-O 3.39Å; V263-E267 VanDerWaalsContact CA-OE2 3.3Å; V263-E267 WeakPolarHBondContact CA-OE2 3.4Å; V263-E267 HydrophobicContact CG1-CB 4.07Å
264T83.3Confident84.8Confident36 Ų3647.9 Ų47.922%0.22125%0.254CS..  trans-79.7165.2-179.871.70000112.3E266 E267 Y268T264-E266 PolarHBondContact O-N 3.03Å; T264-E267 PolarHBondContact N-OE2 3.22Å; T264-E267 PolarHBondContact O-N 2.94Å; T264-E267 WeakPolarHBondContact OG1-CG 3.47Å; T264-E267 PolarHBondContact OG1-N 2.94Å; T264-E267 VanDerWaalsContact OG1-N 3.13Å; T264-Y268 WeakPolarHBondContact O-CB 3.23Å; T264-Y268 PolarHBondContact O-N 2.95Å
265S81.7Confident84.2Confident31 Ų3150.2 Ų50.222%0.21727%0.27CS..Hα-helixtrans-62.8-32.2175.5-176.50000112R269 G276S265-R269 VanDerWaalsContact O-CB 3.25Å; S265-R269 WeakPolarHBondContact O-CB 3.42Å; S265-R269 PolarHBondContact O-N 3.47Å; S265-G276 PolarHBondContact OG-N 3.32Å; S265-G276 PolarHBondContact OG-O 3.46Å; S265-G276 VanDerWaalsContact OG-O 3.07Å
266E76Confident83.5Confident84 Ų8450.2 Ų50.239%0.39327%0.273SS..Hα-helixtrans-72.9-45.9-179-69.864.8-156.800110.3L82 T264 R269 H270L82-E266 HydrophobicContact CD1-CG 4.44Å; T264-E266 PolarHBondContact O-N 3.03Å; E266-R269 PolarHBondContact O-N 3.11Å; E266-H270 WeakPolarHBondContact O-CB 3.5Å; E266-H270 PolarHBondContact O-N 2.77Å
267E79.4Confident82.8Confident29 Ų2958.6 Ų58.614%0.13630%0.301CS..Hα-helixtrans-59.2-48.5170.5-72.6176.3155.400110.1R239 V263 T264 R269 H270 I271R239-E267 IonicContact NH2-OE1 2.7Å; R239-E267 PolarHBondContact NH2-OE1 3.26Å; R239-E267 IonicContact NH2-OE2 2.81Å; R239-E267 PolarHBondContact NH2-OE2 3.12Å; R239-E267 VanDerWaalsContact NH2-OE2 3.14Å; V263-E267 VanDerWaalsContact CA-OE2 3.3Å; V263-E267 WeakPolarHBondContact CA-OE2 3.4Å; V263-E267 HydrophobicContact CG1-CB 4.07Å; T264-E267 PolarHBondContact N-OE2 3.22Å; T264-E267 PolarHBondContact O-N 2.94Å; T264-E267 WeakPolarHBondContact OG1-CG 3.47Å; T264-E267 PolarHBondContact OG1-N 2.94Å; T264-E267 VanDerWaalsContact OG1-N 3.13Å; E267-R269 VanDerWaalsContact C-N 3.33Å; E267-R269 PolarHBondContact O-N 3Å; E267-H270 WeakPolarHBondContact O-CB 3.12Å; E267-H270 PolarHBondContact O-N 2.61Å; E267-H270 VanDerWaalsContact O-N 3.12Å; E267-I271 VanDerWaalsContact O-CD1 3.25Å; E267-I271 WeakPolarHBondContact O-CD1 2.98Å; E267-I271 VanDerWaalsContact O-CG1 3.3Å; E267-I271 WeakPolarHBondContact O-CG1 3.47Å; E267-I271 PolarHBondContact O-N 2.6Å
268Y85.6Confident82.1Confident12 Ų1260.8 Ų60.85%0.04732%0.316CS..Hα-helixtrans-59.4-43.8177.6-168.7-90.1000111.8F255 L258 T264 H270 I271 F272 I274F255-Y268 HydrophobicContact CB-CD2 4.39Å; F255-Y268 HydrophobicContact CB-CE2 4.17Å; F255-Y268 HydrophobicContact CD2-CD1 4.18Å; F255-Y268 AromaticContact CD2-CD2 3.68Å; F255-Y268 HydrophobicContact CD2-CD2 3.68Å; F255-Y268 HydrophobicContact CD2-CE2 4.3Å; F255-Y268 AromaticContact CD2-CG 3.61Å; F255-Y268 HydrophobicContact CD2-CG 3.61Å; F255-Y268 HydrophobicContact CE2-CG 4.2Å; F255-Y268 HydrophobicContact CG-CD2 4.48Å; F255-Y268 HydrophobicContact CG-CG 4.46Å; L258-Y268 HydrophobicContact CD1-CD2 3.88Å; L258-Y268 HydrophobicContact CD1-CE2 3.76Å; T264-Y268 WeakPolarHBondContact O-CB 3.23Å; T264-Y268 PolarHBondContact O-N 2.95Å; Y268-H270 VanDerWaalsContact C-N 3.32Å; Y268-H270 PolarHBondContact O-N 3.32Å; Y268-I271 PolarHBondContact O-N 3.2Å; Y268-F272 HydrophobicContact CD1-CB 4.45Å; Y268-F272 AromaticContact CD1-CD2 3.88Å; Y268-F272 HydrophobicContact CD1-CD2 3.88Å; Y268-F272 AromaticContact CD2-CD2 3.45Å; Y268-F272 HydrophobicContact CD2-CD2 3.45Å; Y268-F272 VanDerWaalsContact CD2-CD2 3.45Å; Y268-F272 AromaticContact CD2-CE2 3.51Å; Y268-F272 HydrophobicContact CD2-CE2 3.51Å; Y268-F272 HydrophobicContact CE1-CB 4.17Å; Y268-F272 AromaticContact CE1-CD2 3.8Å; Y268-F272 HydrophobicContact CE1-CD2 3.8Å; Y268-F272 HydrophobicContact CE1-CG 4.18Å; Y268-F272 AromaticContact CE2-CD2 3.34Å; Y268-F272 HydrophobicContact CE2-CD2 3.34Å; Y268-F272 AromaticContact CE2-CE2 3.32Å; Y268-F272 HydrophobicContact CE2-CE2 3.32Å; Y268-F272 HydrophobicContact CE2-CG 4.26Å; Y268-F272 HydrophobicContact CE2-CZ 4.22Å; Y268-F272 AromaticContact CG-CD2 3.72Å; Y268-F272 HydrophobicContact CG-CD2 3.72Å; Y268-F272 HydrophobicContact CG-CE2 4.23Å; Y268-F272 AromaticContact CZ-CD2 3.52Å; Y268-F272 AromaticContact CZ-CE2 3.93Å; Y268-F272 WeakPolarHBondContact O-CB 2.94Å; Y268-F272 VanDerWaalsContact O-CD2 3.28Å; Y268-F272 WeakPolarHBondContact O-CD2 3.38Å; Y268-F272 PolarHBondContact O-N 3.49Å; Y268-I274 WeakPolarHBondContact CD1-O 3.48Å; Y268-I274 HydrophobicContact CE1-CD1 4.37Å; Y268-I274 HydrophobicContact CE1-CG1 4.1Å
269R85.1Confident81.1Confident133 Ų13364.9 Ų64.950%0.50234%0.342SS..Hα-helixtrans-62.6-39.8175.6-174.9175.8178.6159.9-1.6111.9S265 E266 E267 I271 G273 I274S265-R269 VanDerWaalsContact O-CB 3.25Å; S265-R269 WeakPolarHBondContact O-CB 3.42Å; S265-R269 PolarHBondContact O-N 3.47Å; E266-R269 PolarHBondContact O-N 3.11Å; E267-R269 VanDerWaalsContact C-N 3.33Å; E267-R269 PolarHBondContact O-N 3Å; R269-I271 VanDerWaalsContact C-N 3.34Å; R269-G273 WeakPolarHBondContact O-CA 3.29Å; R269-G273 PolarHBondContact O-N 3.42Å; R269-I274 VanDerWaalsContact CA-O 3.23Å; R269-I274 WeakPolarHBondContact CA-O 3.47Å
270H80.7Confident79.9Confident79 Ų7969.3 Ų69.337%0.36636%0.363SS..Hα-helixtrans-61.5-44.3176.7-17667.5000111.5R86 E226 E266 E267 Y268R86-H270 PolarHBondContact NH2-CE1 3.36Å; R86-H270 PolarHBondContact NH2-NE2 3.1Å; E226-H270 IonicContact OE1-NE2 2.76Å; E226-H270 IonicContact OE2-NE2 2.84Å; E266-H270 WeakPolarHBondContact O-CB 3.5Å; E266-H270 PolarHBondContact O-N 2.77Å; E267-H270 WeakPolarHBondContact O-CB 3.12Å; E267-H270 PolarHBondContact O-N 2.61Å; E267-H270 VanDerWaalsContact O-N 3.12Å; Y268-H270 VanDerWaalsContact C-N 3.32Å; Y268-H270 PolarHBondContact O-N 3.32Å
271I83.4Confident78.4Confident10 Ų1069.4 Ų69.45%0.05137%0.368CS..Hα-helixtrans-75.9-40.9-176.5-63.4152.8000112.3W162 E267 Y268 R269W162-I271 HydrophobicContact CB-CG2 4Å; W162-I271 HydrophobicContact CD2-CD1 3.41Å; W162-I271 VanDerWaalsContact CD2-CD1 3.41Å; W162-I271 HydrophobicContact CD2-CG1 4.08Å; W162-I271 HydrophobicContact CD2-CG2 4.07Å; W162-I271 HydrophobicContact CE3-CD1 3.71Å; W162-I271 HydrophobicContact CE3-CG1 4.44Å; W162-I271 HydrophobicContact CE3-CG2 3.84Å; W162-I271 HydrophobicContact CG-CD1 3.94Å; W162-I271 HydrophobicContact CG-CG1 4.15Å; W162-I271 HydrophobicContact CG-CG2 4.15Å; W162-I271 HydrophobicContact CH2-CD1 3.69Å; W162-I271 HydrophobicContact CZ2-CD1 3.4Å; W162-I271 HydrophobicContact CZ3-CD1 3.82Å; E267-I271 VanDerWaalsContact O-CD1 3.25Å; E267-I271 WeakPolarHBondContact O-CD1 2.98Å; E267-I271 VanDerWaalsContact O-CG1 3.3Å; E267-I271 WeakPolarHBondContact O-CG1 3.47Å; E267-I271 PolarHBondContact O-N 2.6Å; Y268-I271 PolarHBondContact O-N 3.2Å; R269-I271 VanDerWaalsContact C-N 3.34Å
272F84Confident76Confident38 Ų3876 Ų7617%0.16740%0.399CS..Hα-helixtrans-107.3-10.7-170.4-63-75.3000114.5W162 I164 L197 Y268 I274W162-F272 HydrophobicContact CE3-CE2 4.37Å; W162-F272 HydrophobicContact CE3-CZ 4.3Å; W162-F272 HydrophobicContact CZ3-CE2 4.07Å; W162-F272 HydrophobicContact CZ3-CZ 4.26Å; I164-F272 HydrophobicContact CD1-CD1 3.68Å; I164-F272 HydrophobicContact CD1-CE1 3.57Å; I164-F272 HydrophobicContact CG1-CE1 4.25Å; L197-F272 HydrophobicContact CD1-CE1 3.9Å; L197-F272 HydrophobicContact CD1-CZ 3.67Å; L197-F272 HydrophobicContact CD2-CE1 4.23Å; L197-F272 HydrophobicContact CD2-CZ 3.59Å; L197-F272 HydrophobicContact CG-CZ 4.26Å; Y268-F272 HydrophobicContact CD1-CB 4.45Å; Y268-F272 AromaticContact CD1-CD2 3.88Å; Y268-F272 HydrophobicContact CD1-CD2 3.88Å; Y268-F272 AromaticContact CD2-CD2 3.45Å; Y268-F272 HydrophobicContact CD2-CD2 3.45Å; Y268-F272 VanDerWaalsContact CD2-CD2 3.45Å; Y268-F272 AromaticContact CD2-CE2 3.51Å; Y268-F272 HydrophobicContact CD2-CE2 3.51Å; Y268-F272 HydrophobicContact CE1-CB 4.17Å; Y268-F272 AromaticContact CE1-CD2 3.8Å; Y268-F272 HydrophobicContact CE1-CD2 3.8Å; Y268-F272 HydrophobicContact CE1-CG 4.18Å; Y268-F272 AromaticContact CE2-CD2 3.34Å; Y268-F272 HydrophobicContact CE2-CD2 3.34Å; Y268-F272 AromaticContact CE2-CE2 3.32Å; Y268-F272 HydrophobicContact CE2-CE2 3.32Å; Y268-F272 HydrophobicContact CE2-CG 4.26Å; Y268-F272 HydrophobicContact CE2-CZ 4.22Å; Y268-F272 AromaticContact CG-CD2 3.72Å; Y268-F272 HydrophobicContact CG-CD2 3.72Å; Y268-F272 HydrophobicContact CG-CE2 4.23Å; Y268-F272 AromaticContact CZ-CD2 3.52Å; Y268-F272 AromaticContact CZ-CE2 3.93Å; Y268-F272 WeakPolarHBondContact O-CB 2.94Å; Y268-F272 VanDerWaalsContact O-CD2 3.28Å; Y268-F272 WeakPolarHBondContact O-CD2 3.38Å; Y268-F272 PolarHBondContact O-N 3.49Å; F272-I274 HydrophobicContact CB-CG1 3.89Å; F272-I274 PolarHBondContact O-N 3.15Å
273G80.8Confident73.7Confident59 Ų5982.6 Ų82.661%0.60842%0.416SS*.SBendtrans73.32.6-175.400000114.4R269R269-G273 WeakPolarHBondContact O-CA 3.29Å; R269-G273 PolarHBondContact O-N 3.42Å
274I80.6Confident71.1Confident93 Ų9394.7 Ų94.748%0.47747%0.473SS..SBendtrans-128139.8-179.155.6169.9000110Y268 R269 F272Y268-I274 WeakPolarHBondContact CD1-O 3.48Å; Y268-I274 HydrophobicContact CE1-CD1 4.37Å; Y268-I274 HydrophobicContact CE1-CG1 4.1Å; R269-I274 VanDerWaalsContact CA-O 3.23Å; R269-I274 WeakPolarHBondContact CA-O 3.47Å; F272-I274 HydrophobicContact CB-CG1 3.89Å; F272-I274 PolarHBondContact O-N 3.15Å
275P75Confident70.5Confident54 Ų5497.6 Ų97.635%0.35149%0.485SS..  trans-63.2139.6179.126.9-33.9000111R277P275-R277 PolarHBondContact O-N 3.02Å
276G71.7Confident69.9Low9 Ų9101.1 Ų101.19%0.09350%0.499CS..  trans-65.8128.1167.400000109.4F255 S265F255-G276 VanDerWaalsContact CE1-C 3.41Å; F255-G276 VanDerWaalsContact CG-CA 3.46Å; S265-G276 PolarHBondContact OG-N 3.32Å; S265-G276 PolarHBondContact OG-O 3.46Å; S265-G276 VanDerWaalsContact OG-O 3.07Å
277R76.1Confident69.5Low196 Ų196102.1 Ų102.174%0.7451%0.505SS*.  trans-123.2118.7175.2-65.8-175.1-177.7-176.60.4108.5F255 P275F255-R277 VanDerWaalsContact CD1-N 3.3Å; P275-R277 PolarHBondContact O-N 3.02Å
278L75.9Confident69Low86 Ų86106.4 Ų106.445%0.4553%0.527SS..PPolyproline II helixtrans-65.8145.8166.9-64.3175.8000108.3F255 H259 Q280F255-L278 HydrophobicContact CD1-CD2 3.94Å; F255-L278 HydrophobicContact CD1-CG 4.31Å; F255-L278 HydrophobicContact CE1-CD2 3.87Å; F255-L278 HydrophobicContact CE1-CG 3.94Å; H259-L278 HydrophobicContact CB-CD2 4.16Å; L278-Q280 PolarHBondContact O-N 3.13Å
279P68.9Low67.9Low86 Ų86112.3 Ų112.356%0.55856%0.557SS**PPolyproline II helixtrans-54.812617221.8-31000108.3S256 N281S256-P279 WeakPolarHBondContact OG-CD 3.4Å; P279-N281 PolarHBondContact O-N 3.3Å; P279-N281 VanDerWaalsContact O-N 3.16Å
280Q64.4Low66.8Low181 Ų181110.9 Ų110.985%0.84656%0.561SS**PPolyproline II helixtrans-64.9117.6167-69.3-179.9-14.200105.3L278 E282L278-Q280 PolarHBondContact O-N 3.13Å; Q280-E282 VanDerWaalsContact C-N 3.34Å; Q280-E282 PolarHBondContact O-N 3.07Å
281N55.1Low65.8Low147 Ų147113.1 Ų113.179%0.78658%0.575SS**  trans-56.4109.9163.3-73-17.7000105P279 Q283P279-N281 PolarHBondContact O-N 3.3Å; P279-N281 VanDerWaalsContact O-N 3.16Å; N281-Q283 PolarHBondContact O-N 3.37Å
282E37.7Very low64.4Low183 Ų183121.1 Ų121.186%0.85562%0.615SS**  trans-59.492.3161.7-73.1-179.1167.300104.9Q280 Q284Q280-E282 VanDerWaalsContact C-N 3.34Å; Q280-E282 PolarHBondContact O-N 3.07Å; E282-Q284 VanDerWaalsContact C-N 3.25Å; E282-Q284 PolarHBondContact O-N 3Å
283Q37Very low62.8Low187 Ų187128 Ų12887%0.87465%0.652SS**  trans-61.7101162.7-76.3-175-25.400105.1N281N281-Q283 PolarHBondContact O-N 3.37Å
284Q30.7Very low61.2Low255 Ų255134.3 Ų134.3100%1.19266%0.656SS**  trans-59.90150.7-73.3-177.9-7.700109.4E282E282-Q284 VanDerWaalsContact C-N 3.25Å; E282-Q284 PolarHBondContact O-N 3Å

Retrieved 284 of 284 residues in 192 ms (Link to these results)

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