A0A2K5L696_CERAT Loading...

G protein-coupled receptor kinase

AlphaFold DB , UniProt , Accession A0A2K5L696, Species CERAT (Cercocebus atys, Sooty mangabey), Gene GRK5, Length 590 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
1M56.2Low81.7Confident181 Ų18189.2 Ų89.289%0.89247%0.472SS*.  0-59.20-157174.2-67.300109.6L3 E4 L478M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.38Å; M1-E4 PolarHBondContact O-N 2.69Å; M1-L478 HydrophobicContact CB-CD1 4.46Å; M1-L478 HydrophobicContact CG-CD1 3.26Å; M1-L478 HydrophobicContact SD-CD1 4.26Å
2E68.8Low82.5Confident155 Ų15581.9 Ų81.972%0.72443%0.433SS*.Hα-helixtrans-59.7-36.9171.4-146.2174-175.700113.3E4 N5 I6E2-E4 PolarHBondContact O-N 2.88Å; E2-N5 PolarHBondContact O-N 2.73Å; E2-I6 HydrophobicContact CB-CD1 4.38Å; E2-I6 HydrophobicContact CG-CD1 3.93Å; E2-I6 VanDerWaalsContact O-CG1 3.26Å; E2-I6 WeakPolarHBondContact O-CG1 3.15Å; E2-I6 PolarHBondContact O-N 2.95Å
3L80.3Confident83Confident121 Ų12178.5 Ų78.563%0.63442%0.415SS*.Hα-helixtrans-60.1-39.7-178.7-171.965.3000113.8M1 I6 V7M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.38Å; L3-I6 PolarHBondContact O-N 3.34Å; L3-V7 HydrophobicContact CD1-CG2 4.14Å; L3-V7 HydrophobicContact CG-CG2 4.23Å; L3-V7 VanDerWaalsContact O-CB 3.31Å; L3-V7 WeakPolarHBondContact O-CB 3.31Å; L3-V7 WeakPolarHBondContact O-CG2 3.14Å; L3-V7 PolarHBondContact O-N 3.35Å
4E80.5Confident83.4Confident134 Ų13481.9 Ų81.963%0.62642%0.424SS*.Hα-helixtrans-65.5-43.2-179.8-73.5-178175.700111.2M1 E2 A8M1-E4 PolarHBondContact O-N 2.69Å; E2-E4 PolarHBondContact O-N 2.88Å; E4-A8 WeakPolarHBondContact O-CB 3.26Å; E4-A8 PolarHBondContact O-N 3.42Å
5N83.1Confident83.7Confident19 Ų1976.9 Ų76.910%0.10240%0.4CS..Hα-helixtrans-66.9-44.2177.4-165.451.8000111.4E2 V7 A8 N9 D476 V477E2-N5 PolarHBondContact O-N 2.73Å; N5-V7 PolarHBondContact O-N 3.48Å; N5-A8 PolarHBondContact O-N 3.47Å; N5-N9 WeakPolarHBondContact O-CB 3.5Å; N5-N9 PolarHBondContact O-N 3.45Å; N5-N9 PolarHBondContact O-ND2 3.12Å; N5-N9 PolarHBondContact O-OD1 2.83Å; N5-D476 PolarHBondContact ND2-OD1 2.88Å; N5-V477 PolarHBondContact OD1-N 3.47Å
6I85.5Confident83.7Confident84 Ų8474.9 Ų74.943%0.43139%0.386SS..Hα-helixtrans-59.7-47.7176.2-68.7165.9000110.7E2 L3 N9 T10E2-I6 HydrophobicContact CB-CD1 4.38Å; E2-I6 HydrophobicContact CG-CD1 3.93Å; E2-I6 VanDerWaalsContact O-CG1 3.26Å; E2-I6 WeakPolarHBondContact O-CG1 3.15Å; E2-I6 PolarHBondContact O-N 2.95Å; L3-I6 PolarHBondContact O-N 3.34Å; I6-N9 PolarHBondContact O-N 3.3Å; I6-T10 VanDerWaalsContact O-CB 3.28Å; I6-T10 WeakPolarHBondContact O-CB 3.28Å; I6-T10 PolarHBondContact O-N 2.9Å; I6-T10 PolarHBondContact O-OG1 2.89Å
7V88.2Confident83.6Confident76 Ų7679.6 Ų79.646%0.46141%0.406SS..Hα-helixtrans-62.6-47.8178.8169.90000110.1L3 N5 N9 T10 V11L3-V7 HydrophobicContact CD1-CG2 4.14Å; L3-V7 HydrophobicContact CG-CG2 4.23Å; L3-V7 VanDerWaalsContact O-CB 3.31Å; L3-V7 WeakPolarHBondContact O-CB 3.31Å; L3-V7 WeakPolarHBondContact O-CG2 3.14Å; L3-V7 PolarHBondContact O-N 3.35Å; N5-V7 PolarHBondContact O-N 3.48Å; V7-N9 VanDerWaalsContact C-N 3.33Å; V7-N9 PolarHBondContact O-N 2.84Å; V7-T10 PolarHBondContact O-N 3.02Å; V7-V11 HydrophobicContact CG1-CG2 4.28Å; V7-V11 WeakPolarHBondContact O-CB 3.25Å; V7-V11 WeakPolarHBondContact O-CG2 3.43Å; V7-V11 PolarHBondContact O-N 3.07Å
8A87.5Confident82.6Confident25 Ų2576.4 Ų76.421%0.20740%0.395CS..Hα-helixtrans-58.4-43.617900000112.3E4 N5 L12 R190 V477E4-A8 WeakPolarHBondContact O-CB 3.26Å; E4-A8 PolarHBondContact O-N 3.42Å; N5-A8 PolarHBondContact O-N 3.47Å; A8-L12 WeakPolarHBondContact O-CB 3.37Å; A8-L12 PolarHBondContact O-N 2.89Å; A8-L12 VanDerWaalsContact O-N 3.09Å; A8-R190 HydrophobicContact CB-CB 3.93Å; A8-V477 HydrophobicContact CB-CG2 4.39Å
9N88.6Confident81.4Confident30 Ų3073.7 Ų73.716%0.1639%0.389CS..Hα-helixtrans-67.9-48.1177.8-70.5-8.5000111.9N5 I6 V7 V11 L12 L13 R190 V472N5-N9 WeakPolarHBondContact O-CB 3.5Å; N5-N9 PolarHBondContact O-N 3.45Å; N5-N9 PolarHBondContact O-ND2 3.12Å; N5-N9 PolarHBondContact O-OD1 2.83Å; I6-N9 PolarHBondContact O-N 3.3Å; V7-N9 VanDerWaalsContact C-N 3.33Å; V7-N9 PolarHBondContact O-N 2.84Å; N9-V11 VanDerWaalsContact C-N 3.28Å; N9-V11 PolarHBondContact O-N 3.41Å; N9-L12 PolarHBondContact O-N 3.35Å; N9-L12 VanDerWaalsContact O-N 3.15Å; N9-L13 WeakPolarHBondContact O-CB 3.49Å; N9-L13 WeakPolarHBondContact O-CG 3.44Å; N9-L13 PolarHBondContact O-N 2.99Å; N9-R190 VanDerWaalsContact OD1-CD 3.31Å; N9-R190 WeakPolarHBondContact OD1-CD 3.46Å; N9-R190 PolarHBondContact OD1-NH1 2.62Å; N9-V472 HydrophobicContact CB-CG2 4.4Å
10T89.8Confident79.8Confident81 Ų8174.1 Ų74.150%0.49741%0.41SS..Hα-helixtrans-59.8-41.8180-55.70000111I6 V7 K14I6-T10 VanDerWaalsContact O-CB 3.28Å; I6-T10 WeakPolarHBondContact O-CB 3.28Å; I6-T10 PolarHBondContact O-N 2.9Å; I6-T10 PolarHBondContact O-OG1 2.89Å; V7-T10 PolarHBondContact O-N 3.02Å; T10-K14 VanDerWaalsContact O-CB 3.31Å; T10-K14 WeakPolarHBondContact O-CB 3.39Å; T10-K14 PolarHBondContact O-N 2.9Å
11V90.8Very high78.9Confident75 Ų7573 Ų7346%0.45542%0.417SS..Hα-helixtrans-67.4-39.4178.1175.50000111.4V7 N9 A15 Y189V7-V11 HydrophobicContact CG1-CG2 4.28Å; V7-V11 WeakPolarHBondContact O-CB 3.25Å; V7-V11 WeakPolarHBondContact O-CG2 3.43Å; V7-V11 PolarHBondContact O-N 3.07Å; N9-V11 VanDerWaalsContact C-N 3.28Å; N9-V11 PolarHBondContact O-N 3.41Å; V11-A15 PolarHBondContact O-N 2.94Å; V11-A15 VanDerWaalsContact O-N 3.15Å; V11-Y189 HydrophobicContact CG1-CD1 3.8Å; V11-Y189 HydrophobicContact CG1-CE1 3.81Å
12L90.4Very high79.5Confident2 Ų275 Ų751%0.0142%0.42CS..Hα-helixtrans-66.2-48.7175.9178.363.1000111.9A8 N9 K14 A15 R16 R190 L192 A202 M211A8-L12 WeakPolarHBondContact O-CB 3.37Å; A8-L12 PolarHBondContact O-N 2.89Å; A8-L12 VanDerWaalsContact O-N 3.09Å; N9-L12 PolarHBondContact O-N 3.35Å; N9-L12 VanDerWaalsContact O-N 3.15Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 2.91Å; L12-A15 WeakPolarHBondContact O-CA 3.34Å; L12-A15 WeakPolarHBondContact O-CB 3.32Å; L12-A15 PolarHBondContact O-N 3.34Å; L12-R16 PolarHBondContact O-N 3.15Å; L12-R190 HydrophobicContact CB-CG 4.29Å; L12-R190 HydrophobicContact CD2-CG 3.76Å; L12-L192 HydrophobicContact CD2-CD2 4.18Å; L12-A202 HydrophobicContact CD1-CB 3.64Å; L12-M211 HydrophobicContact CD1-CE 3.81Å
13L89.9Confident79.9Confident37 Ų3773.7 Ų73.719%0.19441%0.409CS..Hα-helixtrans-58.9-44.8179.3-69.9172.7000111N9 A15 R16 E17 P469 R470 V472N9-L13 WeakPolarHBondContact O-CB 3.49Å; N9-L13 WeakPolarHBondContact O-CG 3.44Å; N9-L13 PolarHBondContact O-N 2.99Å; L13-A15 PolarHBondContact O-N 3.36Å; L13-R16 WeakPolarHBondContact O-CB 3.26Å; L13-R16 PolarHBondContact O-N 2.87Å; L13-R16 VanDerWaalsContact O-N 3.12Å; L13-E17 PolarHBondContact O-N 2.62Å; L13-P469 WeakPolarHBondContact CD2-O 3.48Å; L13-R470 WeakPolarHBondContact CD1-O 3.45Å; L13-V472 HydrophobicContact CD2-CG2 4.06Å; L13-V472 HydrophobicContact CG-CG2 4.23Å
14K88.4Confident80.2Confident126 Ų12675.1 Ų75.155%0.54841%0.41SS..Hα-helixtrans-62-31.2175.2-171.1169.7-173.31690113.1T10 L12 G19T10-K14 VanDerWaalsContact O-CB 3.31Å; T10-K14 WeakPolarHBondContact O-CB 3.39Å; T10-K14 PolarHBondContact O-N 2.9Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 2.91Å; K14-G19 WeakPolarHBondContact O-CA 3.49Å; K14-G19 PolarHBondContact O-N 3.12Å
15A87.4Confident80.6Confident8 Ų869.4 Ų69.47%0.06639%0.387CS..Hα-helixtrans-74.5-37.917500000112.2V11 L12 L13 G18 Y189 M211V11-A15 PolarHBondContact O-N 2.94Å; V11-A15 VanDerWaalsContact O-N 3.15Å; L12-A15 WeakPolarHBondContact O-CA 3.34Å; L12-A15 WeakPolarHBondContact O-CB 3.32Å; L12-A15 PolarHBondContact O-N 3.34Å; L13-A15 PolarHBondContact O-N 3.36Å; A15-G18 PolarHBondContact O-N 3.49Å; A15-G18 VanDerWaalsContact O-N 3.11Å; A15-Y189 HydrophobicContact CB-CD1 4.24Å; A15-Y189 HydrophobicContact CB-CE1 3.47Å; A15-Y189 VanDerWaalsContact CB-CE1 3.47Å; A15-M211 HydrophobicContact CB-CE 4.27Å; A15-M211 HydrophobicContact CB-SD 4Å
16R84.6Confident81.2Confident45 Ų4569.3 Ų69.317%0.1739%0.386CS..Hα-helixtrans-61.7-39.5174.7-75171.866.7-163.60.6112.3L12 L13 G18 N267 D321 P469 A471L12-R16 PolarHBondContact O-N 3.15Å; L13-R16 WeakPolarHBondContact O-CB 3.26Å; L13-R16 PolarHBondContact O-N 2.87Å; L13-R16 VanDerWaalsContact O-N 3.12Å; R16-G18 PolarHBondContact O-N 3.49Å; R16-N267 PolarHBondContact NE-ND2 3.4Å; R16-D321 IonicContact CZ-OD1 2.9Å; R16-D321 IonicContact NE-OD1 2.68Å; R16-D321 PolarHBondContact NE-OD1 3.48Å; R16-D321 IonicContact NH2-OD1 2.64Å; R16-D321 PolarHBondContact NH2-OD1 3.09Å; R16-P469 PolarHBondContact NH1-O 3.49Å; R16-P469 PolarHBondContact NH2-O 2.94Å; R16-A471 PolarHBondContact NH1-O 2.92Å
17E80.6Confident81.6Confident155 Ų15566.5 Ų66.572%0.72437%0.374SS*.THydrogen-bonded Turntrans-67.24.4174.2-67.8176.2175.100114.1L13L13-E17 PolarHBondContact O-N 2.62Å
18G66.2Low81.9Confident21 Ų2171.6 Ų71.622%0.21639%0.39CS..THydrogen-bonded Turntrans86.68.5-17800000113.9A15 R16 K24 G25A15-G18 PolarHBondContact O-N 3.49Å; A15-G18 VanDerWaalsContact O-N 3.11Å; R16-G18 PolarHBondContact O-N 3.49Å; G18-K24 CarbonylContact O-C 3.56Å; G18-K24 WeakPolarHBondContact O-CA 3.12Å; G18-G25 PolarHBondContact O-N 3.06Å
19G59.9Low82.2Confident26 Ų2676.6 Ų76.627%0.26841%0.407SS..  trans69.2136.1-175.800000112.1K14 G21K14-G19 WeakPolarHBondContact O-CA 3.49Å; K14-G19 PolarHBondContact O-N 3.12Å; G19-G21 VanDerWaalsContact C-N 3.25Å; G19-G21 PolarHBondContact O-N 3.36Å
20G50.1Low82.6Confident80 Ų8076.2 Ų76.283%0.82540%0.403SS*.SBendtrans-65.456.7-168.500000118
21G61.2Low82.9Confident53 Ų5377.7 Ų77.755%0.54640%0.403SS..SBendtrans-174.7173.7174.500000114.4G19 R23 K24G19-G21 VanDerWaalsContact C-N 3.25Å; G19-G21 PolarHBondContact O-N 3.36Å; G21-R23 PolarHBondContact O-N 3.35Å; G21-K24 PolarHBondContact O-N 3.33Å
22K67.1Low83.1Confident221 Ų22180.4 Ų80.496%0.96141%0.41SS*.THydrogen-bonded Turntrans-58-4.2-174.1-61.8-172.5178.4-1740116.6
23R76.9Confident83.4Confident129 Ų12984.6 Ų84.649%0.48743%0.432SS..THydrogen-bonded Turntrans-97.7-3.9-171.7-65.2-179.9-176.5175.1-1.7113.7G21 G25 K26 K28G21-R23 PolarHBondContact O-N 3.35Å; R23-G25 PolarHBondContact O-N 2.71Å; R23-G25 VanDerWaalsContact O-N 3.13Å; R23-K26 HydrophobicContact CB-CB 4.41Å; R23-K26 VanDerWaalsContact O-CB 3.23Å; R23-K26 WeakPolarHBondContact O-CB 3.49Å; R23-K26 VanDerWaalsContact O-CG 3.24Å; R23-K26 WeakPolarHBondContact O-CG 3.31Å; R23-K26 PolarHBondContact O-N 3.3Å; R23-K28 VanDerWaalsContact NH1-CB 3.31Å; R23-K28 VanDerWaalsContact NH1-CD 3.26Å
24K86.6Confident83.8Confident150 Ų15083.5 Ų83.565%0.65243%0.426SS*.THydrogen-bonded Turntrans47.843.6179-58.6-175178.4-176.10112.4G18 G21 K26G18-K24 CarbonylContact O-C 3.56Å; G18-K24 WeakPolarHBondContact O-CA 3.12Å; G21-K24 PolarHBondContact O-N 3.33Å; K24-K26 VanDerWaalsContact C-N 3.34Å; K24-K26 PolarHBondContact O-N 3.01Å
25G90Very high84.2Confident15 Ų1585 Ų8516%0.15543%0.433CS..THydrogen-bonded Turntrans84.9-13.2-179.700000116.5G18 R23 R187G18-G25 PolarHBondContact O-N 3.06Å; R23-G25 PolarHBondContact O-N 2.71Å; R23-G25 VanDerWaalsContact O-N 3.13Å; G25-R187 PolarHBondContact O-NH1 3.07Å
26K94.6Very high84.6Confident17 Ų1785.9 Ų85.97%0.07444%0.435CS..  trans-59.8140.4179.7-61.7179.3-172.8-174.60112.4R23 K24 W30 A207 T208 T518 C520 E523R23-K26 HydrophobicContact CB-CB 4.41Å; R23-K26 VanDerWaalsContact O-CB 3.23Å; R23-K26 WeakPolarHBondContact O-CB 3.49Å; R23-K26 VanDerWaalsContact O-CG 3.24Å; R23-K26 WeakPolarHBondContact O-CG 3.31Å; R23-K26 PolarHBondContact O-N 3.3Å; K24-K26 VanDerWaalsContact C-N 3.34Å; K24-K26 PolarHBondContact O-N 3.01Å; K26-W30 HydrophobicContact CB-CB 4.3Å; K26-W30 HydrophobicContact CB-CG 4.08Å; K26-W30 HydrophobicContact CD-CD2 4.05Å; K26-W30 HydrophobicContact CD-CG 4.21Å; K26-W30 HydrophobicContact CD-CZ2 4.43Å; K26-A207 WeakPolarHBondContact CG-O 3.17Å; K26-T208 VanDerWaalsContact CG-O 3.23Å; K26-T208 WeakPolarHBondContact CG-O 3.44Å; K26-T518 WeakPolarHBondContact CE-O 3.39Å; K26-T518 PolarHBondContact NZ-O 3.32Å; K26-C520 PolarHBondContact NZ-SG 3.27Å; K26-E523 IonicContact NZ-OE1 3.67Å; K26-E523 PolarHBondContact NZ-OE1 2.92Å
27S94.7Very high85.2Confident25 Ų2584 Ų8418%0.17543%0.428CS..  trans-56.3149.7170.8177.40000111.7K29 W30 R206S27-K29 PolarHBondContact O-N 3.02Å; S27-K29 PolarHBondContact OG-N 3.16Å; S27-W30 WeakPolarHBondContact O-CB 3.49Å; S27-W30 VanDerWaalsContact O-CD1 3.23Å; S27-W30 PolarHBondContact O-N 3.19Å; S27-R206 WeakPolarHBondContact CB-O 3.48Å; S27-R206 PolarHBondContact N-O 2.89Å
28K94Very high86Confident182 Ų18277.2 Ų77.279%0.79140%0.397SS*.THydrogen-bonded Turntrans-57.3-25.7174-47.1-149.9165.5170.10112.8R23R23-K28 VanDerWaalsContact NH1-CB 3.31Å; R23-K28 VanDerWaalsContact NH1-CD 3.26Å
29K95Very high87.4Confident130 Ų13076.2 Ų76.257%0.56539%0.387SS*.THydrogen-bonded Turntrans-107.719.2-175.9-63.8-176.5167.8-161.70113.2S27 K31 E32 I33S27-K29 PolarHBondContact O-N 3.02Å; S27-K29 PolarHBondContact OG-N 3.16Å; K29-K31 VanDerWaalsContact C-N 3.29Å; K29-K31 PolarHBondContact O-N 3.13Å; K29-E32 HydrophobicContact CB-CB 4.43Å; K29-E32 WeakPolarHBondContact CD-OE2 3.5Å; K29-E32 WeakPolarHBondContact CG-OE2 3.46Å; K29-E32 WeakPolarHBondContact O-CA 3.13Å; K29-E32 WeakPolarHBondContact O-CB 3.36Å; K29-E32 PolarHBondContact O-N 3.44Å; K29-I33 WeakPolarHBondContact O-CG1 3.18Å; K29-I33 PolarHBondContact O-N 2.71Å; K29-I33 VanDerWaalsContact O-N 3.07Å
30W96.6Very high89.1Confident23 Ų2377.8 Ų77.89%0.08739%0.393CS..Hα-helixtrans-59.3-35.9-171.374.7-91.9000114K26 S27 E32 I33 L34 A207 C520 E523 L524K26-W30 HydrophobicContact CB-CB 4.3Å; K26-W30 HydrophobicContact CB-CG 4.08Å; K26-W30 HydrophobicContact CD-CD2 4.05Å; K26-W30 HydrophobicContact CD-CG 4.21Å; K26-W30 HydrophobicContact CD-CZ2 4.43Å; S27-W30 WeakPolarHBondContact O-CB 3.49Å; S27-W30 VanDerWaalsContact O-CD1 3.23Å; S27-W30 PolarHBondContact O-N 3.19Å; W30-E32 VanDerWaalsContact C-N 3.27Å; W30-E32 PolarHBondContact O-N 3.26Å; W30-I33 WeakPolarHBondContact O-CB 3.37Å; W30-I33 PolarHBondContact O-N 2.9Å; W30-I33 VanDerWaalsContact O-N 3.15Å; W30-L34 HydrophobicContact CE3-CD1 4.2Å; W30-L34 PolarHBondContact O-N 3.22Å; W30-A207 WeakPolarHBondContact CB-O 3.46Å; W30-C520 HydrophobicContact CZ3-CB 4.23Å; W30-E523 HydrophobicContact CH2-CB 3.83Å; W30-E523 HydrophobicContact CZ2-CB 4.43Å; W30-E523 VanDerWaalsContact CZ2-OE2 3.23Å; W30-E523 WeakPolarHBondContact CZ2-OE2 3.39Å; W30-L524 HydrophobicContact CE3-CD1 4.5Å; W30-L524 HydrophobicContact CH2-CD1 4.49Å; W30-L524 HydrophobicContact CH2-CD2 4.03Å; W30-L524 HydrophobicContact CH2-CG 3.99Å; W30-L524 HydrophobicContact CZ3-CD1 3.69Å; W30-L524 HydrophobicContact CZ3-CD2 3.89Å; W30-L524 HydrophobicContact CZ3-CG 3.68Å
31K95.6Very high91.2Very high112 Ų11278.7 Ų78.749%0.48738%0.376SS..Hα-helixtrans-66.3-26.9174.1-63.9-164.5174.7-1680113.5K29 K35 L524K29-K31 VanDerWaalsContact C-N 3.29Å; K29-K31 PolarHBondContact O-N 3.13Å; K31-K35 WeakPolarHBondContact O-CA 3.38Å; K31-K35 WeakPolarHBondContact O-CB 3.26Å; K31-K35 PolarHBondContact O-N 2.91Å; K31-L524 HydrophobicContact CG-CD2 4.23Å
32E95.3Very high92.9Very high131 Ų13176.1 Ų76.161%0.61235%0.35SS*.Hα-helixtrans-75.8-36.9172.3-60.4176.6171.900110.7K29 W30K29-E32 HydrophobicContact CB-CB 4.43Å; K29-E32 WeakPolarHBondContact CD-OE2 3.5Å; K29-E32 WeakPolarHBondContact CG-OE2 3.46Å; K29-E32 WeakPolarHBondContact O-CA 3.13Å; K29-E32 WeakPolarHBondContact O-CB 3.36Å; K29-E32 PolarHBondContact O-N 3.44Å; W30-E32 VanDerWaalsContact C-N 3.27Å; W30-E32 PolarHBondContact O-N 3.26Å
33I96.4Very high94.3Very high90 Ų9067.8 Ų67.846%0.46231%0.314SS..Hα-helixtrans-67.1-41.9178.1-61.6168.8000110.9K29 W30 A207K29-I33 WeakPolarHBondContact O-CG1 3.18Å; K29-I33 PolarHBondContact O-N 2.71Å; K29-I33 VanDerWaalsContact O-N 3.07Å; W30-I33 WeakPolarHBondContact O-CB 3.37Å; W30-I33 PolarHBondContact O-N 2.9Å; W30-I33 VanDerWaalsContact O-N 3.15Å; I33-A207 HydrophobicContact CB-CB 4.42Å; I33-A207 HydrophobicContact CG2-CB 3.96Å
34L97.6Very high95.2Very high14 Ų1467.2 Ų67.27%0.07332%0.321CS..THydrogen-bonded Turntrans-101.929.6-179.3-61.4-179.9000112.5W30 F36 A207 T208 M515 C520 L524W30-L34 HydrophobicContact CE3-CD1 4.2Å; W30-L34 PolarHBondContact O-N 3.22Å; L34-F36 PolarHBondContact O-N 2.56Å; L34-A207 HydrophobicContact CD1-CB 3.96Å; L34-A207 HydrophobicContact CD2-CB 4.23Å; L34-A207 HydrophobicContact CG-CB 3.93Å; L34-T208 HydrophobicContact CD1-CG2 4.37Å; L34-M515 HydrophobicContact CD1-SD 4Å; L34-C520 HydrophobicContact CD1-CB 4.34Å; L34-L524 HydrophobicContact CB-CD1 3.67Å; L34-L524 HydrophobicContact CD1-CD1 4.28Å
35K96.8Very high95.6Very high158 Ų15861.8 Ų61.869%0.68730%0.299SS*.PPolyproline II helixtrans-69.2126.5178.3-174.4-179.1176.9-176.80109.4K31K31-K35 WeakPolarHBondContact O-CA 3.38Å; K31-K35 WeakPolarHBondContact O-CB 3.26Å; K31-K35 PolarHBondContact O-N 2.91Å
36F97.5Very high96Very high26 Ų2662.9 Ų62.911%0.11430%0.298CS..PPolyproline II helixtrans-57.6141.2175.8-70.4-50.7000111.9L34 Q172 W173 L176 L524L34-F36 PolarHBondContact O-N 2.56Å; F36-Q172 HydrophobicContact CB-CB 4.39Å; F36-Q172 HydrophobicContact CD1-CB 3.64Å; F36-Q172 HydrophobicContact CE1-CB 4.16Å; F36-Q172 HydrophobicContact CG-CB 4.16Å; F36-W173 AromaticContact CE1-CD2 3.73Å; F36-W173 HydrophobicContact CE1-CD2 3.73Å; F36-W173 AromaticContact CE1-CE2 3.64Å; F36-W173 HydrophobicContact CE1-CE3 4.23Å; F36-W173 HydrophobicContact CE1-CG 4.01Å; F36-W173 HydrophobicContact CE1-CH2 4.47Å; F36-W173 HydrophobicContact CE1-CZ2 4.03Å; F36-W173 AromaticContact CE1-NE1 3.87Å; F36-W173 HydrophobicContact CZ-CD2 4.02Å; F36-W173 AromaticContact CZ-CE2 3.4Å; F36-W173 VanDerWaalsContact CZ-CE2 3.4Å; F36-W173 HydrophobicContact CZ-CG 4.42Å; F36-W173 HydrophobicContact CZ-CH2 4.28Å; F36-W173 AromaticContact CZ-CZ2 3.55Å; F36-W173 HydrophobicContact CZ-CZ2 3.55Å; F36-W173 AromaticContact CZ-NE1 3.51Å; F36-L176 HydrophobicContact CD1-CD1 3.54Å; F36-L176 HydrophobicContact CD1-CG 4.29Å; F36-L176 HydrophobicContact CE1-CD1 3.64Å; F36-L524 HydrophobicContact CE2-CB 4.28Å; F36-L524 WeakPolarHBondContact CE2-O 3.3Å; F36-L524 HydrophobicContact CZ-CB 4.31Å
37P96.5Very high96Very high5 Ų571.5 Ų71.53%0.03233%0.33CS..PPolyproline II helixtrans-67.8158.6166.135.2-38.7000109.6Q41 Q172 W175P37-Q41 HydrophobicContact CB-CB 4.07Å; P37-Q172 HydrophobicContact CG-CB 4.38Å; P37-Q172 HydrophobicContact CG-CG 4.31Å; P37-Q172 PolarHBondContact O-NE2 3.07Å; P37-W175 HydrophobicContact CB-CD2 3.84Å; P37-W175 HydrophobicContact CB-CE3 3.91Å; P37-W175 HydrophobicContact CB-CG 4.31Å; P37-W175 HydrophobicContact CB-CH2 4.43Å; P37-W175 HydrophobicContact CB-CZ2 4.35Å; P37-W175 HydrophobicContact CB-CZ3 4.21Å; P37-W175 HydrophobicContact CG-CB 3.91Å; P37-W175 HydrophobicContact CG-CD2 3.56Å; P37-W175 HydrophobicContact CG-CE3 3.61Å; P37-W175 HydrophobicContact CG-CG 3.7Å; P37-W175 HydrophobicContact CG-CZ3 4.34Å
38H96.6Very high96.1Very high14 Ų1475.6 Ų75.67%0.06535%0.354CS..PPolyproline II helixtrans-66.4143.2165.1-179.4-97.9000109.2S40 Q41 D536 N538 H541 P543H38-S40 WeakPolarHBondContact ND1-CB 3.48Å; H38-S40 PolarHBondContact ND1-N 2.64Å; H38-S40 PolarHBondContact ND1-OG 3.49Å; H38-S40 PolarHBondContact O-N 2.81Å; H38-Q41 WeakPolarHBondContact O-CB 3.45Å; H38-Q41 PolarHBondContact O-N 3.37Å; H38-D536 WeakPolarHBondContact CA-O 3.28Å; H38-N538 PolarHBondContact NE2-O 3.16Å; H38-N538 VanDerWaalsContact NE2-O 3.14Å; H38-H541 PolarHBondContact NE2-O 2.99Å; H38-P543 HydrophobicContact CB-CB 4.32Å; H38-P543 HydrophobicContact CB-CG 3.91Å
39I96.1Very high96.2Very high0 Ų068.2 Ų68.20%032%0.323CS..G310 helixtrans-55-29-173.2-170.357.9000114.1Q41 C42 D168 Q172 D536 L537 R539I39-Q41 PolarHBondContact O-N 2.73Å; I39-C42 HydrophobicContact CD1-CB 4.2Å; I39-C42 WeakPolarHBondContact O-CB 3.28Å; I39-C42 PolarHBondContact O-N 3.28Å; I39-D168 HydrophobicContact CD1-CB 3.65Å; I39-D168 WeakPolarHBondContact CD1-O 3.37Å; I39-D168 HydrophobicContact CG1-CB 4.2Å; I39-Q172 HydrophobicContact CD1-CG 4.4Å; I39-D536 PolarHBondContact N-O 2.96Å; I39-L537 HydrophobicContact CB-CD2 4.48Å; I39-L537 HydrophobicContact CD1-CD2 4.31Å; I39-R539 HydrophobicContact CG2-CG 3.71Å
40S95.1Very high96.2Very high59 Ų5967.9 Ų67.941%0.41333%0.328SS..G310 helixtrans-62.7-21.1175.5690000113.9H38 C42 E43H38-S40 WeakPolarHBondContact ND1-CB 3.48Å; H38-S40 PolarHBondContact ND1-N 2.64Å; H38-S40 PolarHBondContact ND1-OG 3.49Å; H38-S40 PolarHBondContact O-N 2.81Å; S40-C42 VanDerWaalsContact C-N 3.26Å; S40-E43 WeakPolarHBondContact O-CG 3.39Å
41Q95.8Very high96.2Very high98 Ų9873.8 Ų73.846%0.45835%0.35SS..G310 helixtrans-82.5-6.9176.1-55.9177.5-101.600112.3P37 H38 I39P37-Q41 HydrophobicContact CB-CB 4.07Å; H38-Q41 WeakPolarHBondContact O-CB 3.45Å; H38-Q41 PolarHBondContact O-N 3.37Å; I39-Q41 PolarHBondContact O-N 2.73Å
42C97.1Very high96.3Very high0 Ų071 Ų710%034%0.34CS..G310 helixtrans-99.55.6178.6-60.40000112.7I39 S40 D44 L45 R46 L171I39-C42 HydrophobicContact CD1-CB 4.2Å; I39-C42 WeakPolarHBondContact O-CB 3.28Å; I39-C42 PolarHBondContact O-N 3.28Å; S40-C42 VanDerWaalsContact C-N 3.26Å; C42-D44 PolarHBondContact O-N 3.45Å; C42-L45 WeakPolarHBondContact O-CB 3.36Å; C42-L45 PolarHBondContact O-N 3.46Å; C42-R46 PolarHBondContact O-N 2.93Å; C42-L171 HydrophobicContact CB-CB 4.01Å
43E95.1Very high96.5Very high46 Ų4665.1 Ų65.122%0.21531%0.313CS..Hα-helixtrans-63.3-39.6-177-71.8-60.9146.500112.9S40 R46 R47 R539S40-E43 WeakPolarHBondContact O-CG 3.39Å; E43-R46 WeakPolarHBondContact O-CB 3.23Å; E43-R46 PolarHBondContact O-N 2.66Å; E43-R46 IonicContact OE1-NE 2.68Å; E43-R47 WeakPolarHBondContact O-CG 3.28Å; E43-R47 PolarHBondContact O-N 3.12Å; E43-R47 VanDerWaalsContact O-N 3.17Å; E43-R539 IonicContact OE1-CZ 2.72Å; E43-R539 IonicContact OE1-NH1 3.1Å; E43-R539 PolarHBondContact OE1-NH1 3.17Å; E43-R539 IonicContact OE1-NH2 2.64Å; E43-R539 PolarHBondContact OE1-NH2 3.11Å
44D96.1Very high96.5Very high117 Ų11762.9 Ų62.963%0.62630%0.304SS*.Hα-helixtrans-63.5-44.5174.8-67.8-22000110.7C42 R46 R47 T48C42-D44 PolarHBondContact O-N 3.45Å; D44-R46 VanDerWaalsContact C-N 3.33Å; D44-R46 PolarHBondContact O-N 3.05Å; D44-R47 PolarHBondContact O-N 2.92Å; D44-R47 VanDerWaalsContact O-N 3.11Å; D44-T48 WeakPolarHBondContact O-CG2 3.38Å; D44-T48 PolarHBondContact O-N 3.26Å; D44-T48 PolarHBondContact O-OG1 3.15Å; D44-T48 VanDerWaalsContact O-OG1 3.1Å
45L96.3Very high96.4Very high35 Ų3564 Ų6418%0.18331%0.314CS..Hα-helixtrans-59.6-43.1175.6-73.4170.8000111.7C42 R47 T48 I49 L171 W175C42-L45 WeakPolarHBondContact O-CB 3.36Å; C42-L45 PolarHBondContact O-N 3.46Å; L45-R47 PolarHBondContact O-N 3.03Å; L45-T48 PolarHBondContact O-N 3.07Å; L45-T48 PolarHBondContact O-OG1 3.34Å; L45-I49 VanDerWaalsContact O-CB 3.26Å; L45-I49 WeakPolarHBondContact O-CB 3.25Å; L45-I49 WeakPolarHBondContact O-CG2 3.22Å; L45-I49 PolarHBondContact O-N 2.85Å; L45-L171 HydrophobicContact CB-CD2 4.42Å; L45-W175 HydrophobicContact CD1-CB 3.55Å; L45-W175 HydrophobicContact CD1-CG 4.04Å
46R96.8Very high96.5Very high39 Ų3956.6 Ų56.615%0.14728%0.281CS..Hα-helixtrans-57.3-35.8176.9-172-177.6-60.6-88.5-3.5112.3C42 E43 D44 D168 L171C42-R46 PolarHBondContact O-N 2.93Å; E43-R46 WeakPolarHBondContact O-CB 3.23Å; E43-R46 PolarHBondContact O-N 2.66Å; E43-R46 IonicContact OE1-NE 2.68Å; D44-R46 VanDerWaalsContact C-N 3.33Å; D44-R46 PolarHBondContact O-N 3.05Å; R46-D168 IonicContact CZ-OD1 2.87Å; R46-D168 IonicContact NH1-OD1 2.78Å; R46-D168 PolarHBondContact NH1-OD1 2.77Å; R46-D168 VanDerWaalsContact NH2-CG 3.27Å; R46-D168 IonicContact NH2-OD1 3.98Å; R46-D168 PolarHBondContact NH2-OD1 2.75Å; R46-D168 IonicContact NH2-OD2 2.63Å; R46-L171 HydrophobicContact CB-CD1 3.79Å; R46-L171 HydrophobicContact CG-CD1 4Å; R46-L171 VanDerWaalsContact CZ-CD1 3.47Å
47R96.2Very high96.5Very high198 Ų19855.6 Ų55.675%0.74728%0.277SS*.Hα-helixtrans-78.8-36.8179.9-67.4172.8-175-163.70.4112.7E43 D44 L45E43-R47 WeakPolarHBondContact O-CG 3.28Å; E43-R47 PolarHBondContact O-N 3.12Å; E43-R47 VanDerWaalsContact O-N 3.17Å; D44-R47 PolarHBondContact O-N 2.92Å; D44-R47 VanDerWaalsContact O-N 3.11Å; L45-R47 PolarHBondContact O-N 3.03Å
48T96Very high96.3Very high110 Ų11058.5 Ų58.568%0.67529%0.293SS*.Hα-helixtrans-92.8-17.1-172.659.10000114.4D44 L45D44-T48 WeakPolarHBondContact O-CG2 3.38Å; D44-T48 PolarHBondContact O-N 3.26Å; D44-T48 PolarHBondContact O-OG1 3.15Å; D44-T48 VanDerWaalsContact O-OG1 3.1Å; L45-T48 PolarHBondContact O-N 3.07Å; L45-T48 PolarHBondContact O-OG1 3.34Å
49I95.9Very high96.3Very high27 Ų2764.4 Ų64.414%0.13832%0.318CS..SBendtrans-71.4134.2-177.5-160.6162.6000110.7L45 L56 F167 F170 L171 K174L45-I49 VanDerWaalsContact O-CB 3.26Å; L45-I49 WeakPolarHBondContact O-CB 3.25Å; L45-I49 WeakPolarHBondContact O-CG2 3.22Å; L45-I49 PolarHBondContact O-N 2.85Å; I49-L56 HydrophobicContact CD1-CD2 3.95Å; I49-L56 HydrophobicContact CG1-CD2 4.33Å; I49-F167 HydrophobicContact CG2-CZ 4.08Å; I49-F170 HydrophobicContact CD1-CD1 4.48Å; I49-F170 HydrophobicContact CD1-CE1 3.58Å; I49-F170 HydrophobicContact CD1-CZ 4.37Å; I49-L171 HydrophobicContact CD1-CD2 4.28Å; I49-L171 HydrophobicContact CG2-CD2 4.28Å; I49-K174 HydrophobicContact CD1-CG 4.22Å
50D96Very high96.3Very high123 Ų12364.9 Ų64.966%0.65832%0.321SS*.  trans-70.3130.6174.7-169.912000110.2D52 L56D50-D52 PolarHBondContact O-N 3.02Å; D50-D52 VanDerWaalsContact O-N 3.16Å; D50-L56 WeakPolarHBondContact O-CD1 3.41Å
51R96.3Very high96.5Very high148 Ų14863 Ų6356%0.55831%0.307SS*.  trans-9253.1-175.2-63.2-178.2-178.4-161.9-0.1110.5F158 L162R51-F158 WeakPolarHBondContact O-CE1 3.36Å; R51-L162 HydrophobicContact CB-CD1 4.38Å; R51-L162 HydrophobicContact CG-CD1 4.42Å
52D97.8Very high96.6Very high53 Ų5358.3 Ų58.328%0.28329%0.285SS..  trans-94.1120.4177175.6-116.9000110.9D50 C54 S55 L56D50-D52 PolarHBondContact O-N 3.02Å; D50-D52 VanDerWaalsContact O-N 3.16Å; D52-C54 PolarHBondContact O-N 3.41Å; D52-C54 PolarHBondContact OD1-N 3.4Å; D52-S55 PolarHBondContact O-N 2.86Å; D52-S55 WeakPolarHBondContact OD1-CB 3.48Å; D52-S55 PolarHBondContact OD1-N 2.9Å; D52-L56 WeakPolarHBondContact O-CB 3.31Å; D52-L56 WeakPolarHBondContact O-CG 3.48Å; D52-L56 PolarHBondContact O-N 3.38Å
53Y98Very high96.7Very high8 Ų858.3 Ų58.33%0.03129%0.285CS..Hα-helixtrans-57.4-46.8179.8168.9-100.4000112.1S55 L56 C57 F67 H150 L153 R154 F158Y53-S55 VanDerWaalsContact C-N 3.31Å; Y53-S55 PolarHBondContact O-N 2.98Å; Y53-L56 PolarHBondContact O-N 3.03Å; Y53-C57 HydrophobicContact CD2-CB 3.76Å; Y53-C57 HydrophobicContact CE2-CB 3.66Å; Y53-C57 WeakPolarHBondContact O-CB 3.41Å; Y53-C57 PolarHBondContact O-N 3.41Å; Y53-F67 AromaticContact CE2-CE1 3.89Å; Y53-F67 HydrophobicContact CE2-CE1 3.89Å; Y53-F67 AromaticContact CE2-CZ 3.91Å; Y53-F67 HydrophobicContact CE2-CZ 3.91Å; Y53-H150 HydrophobicContact CE1-CB 4.18Å; Y53-H150 AromaticContact CE1-ND1 3.58Å; Y53-H150 AromaticContact CZ-ND1 3.85Å; Y53-H150 PolarHBondContact OH-ND1 2.93Å; Y53-L153 HydrophobicContact CE2-CB 3.99Å; Y53-L153 VanDerWaalsContact OH-CB 3.23Å; Y53-L153 WeakPolarHBondContact OH-CB 3.48Å; Y53-R154 HydrophobicContact CD1-CB 3.49Å; Y53-R154 VanDerWaalsContact CD1-CB 3.49Å; Y53-R154 HydrophobicContact CD2-CB 3.95Å; Y53-R154 HydrophobicContact CE1-CB 4.06Å; Y53-R154 HydrophobicContact CE2-CB 4.48Å; Y53-R154 HydrophobicContact CG-CB 3.41Å; Y53-R154 VanDerWaalsContact CG-CB 3.41Å; Y53-F158 HydrophobicContact CD2-CB 3.98Å; Y53-F158 AromaticContact CD2-CD2 3.84Å; Y53-F158 HydrophobicContact CD2-CD2 3.84Å; Y53-F158 HydrophobicContact CD2-CE2 4.47Å; Y53-F158 AromaticContact CD2-CG 3.88Å; Y53-F158 HydrophobicContact CD2-CG 3.88Å
54C96.3Very high96.9Very high42 Ų4260.4 Ų60.428%0.28429%0.291SS..Iπ-helixtrans-63.8-40.2-176.6-61.60000111D52 D58 K59D52-C54 PolarHBondContact O-N 3.41Å; D52-C54 PolarHBondContact OD1-N 3.4Å; C54-D58 WeakPolarHBondContact O-CB 3.32Å; C54-D58 PolarHBondContact O-N 3.17Å; C54-K59 WeakPolarHBondContact O-CB 3.39Å; C54-K59 WeakPolarHBondContact O-CG 3.21Å; C54-K59 PolarHBondContact O-N 2.89Å
55S96.6Very high97Very high39 Ų3957.4 Ų57.427%0.27327%0.274SS..Iπ-helixtrans-67.2-47.7175.6-179.40000112.4D52 Y53 Q60D52-S55 PolarHBondContact O-N 2.86Å; D52-S55 WeakPolarHBondContact OD1-CB 3.48Å; D52-S55 PolarHBondContact OD1-N 2.9Å; Y53-S55 VanDerWaalsContact C-N 3.31Å; Y53-S55 PolarHBondContact O-N 2.98Å; S55-Q60 VanDerWaalsContact O-CB 3.25Å; S55-Q60 WeakPolarHBondContact O-CB 3.23Å; S55-Q60 VanDerWaalsContact O-CG 3.24Å; S55-Q60 WeakPolarHBondContact O-CG 3.37Å; S55-Q60 PolarHBondContact O-N 3.2Å; S55-Q60 PolarHBondContact O-NE2 3.32Å; S55-Q60 VanDerWaalsContact O-NE2 3.09Å; S55-Q60 PolarHBondContact OG-NE2 2.48Å
56L97.9Very high97.1Very high1 Ų155.7 Ų55.71%0.00527%0.266CS..Iπ-helixtrans-84.1-35.9-170-67.1178.3000113.9I49 D50 D52 Y53 G63 F158 L162 F167 F170I49-L56 HydrophobicContact CD1-CD2 3.95Å; I49-L56 HydrophobicContact CG1-CD2 4.33Å; D50-L56 WeakPolarHBondContact O-CD1 3.41Å; D52-L56 WeakPolarHBondContact O-CB 3.31Å; D52-L56 WeakPolarHBondContact O-CG 3.48Å; D52-L56 PolarHBondContact O-N 3.38Å; Y53-L56 PolarHBondContact O-N 3.03Å; L56-G63 CarbonylContact O-C 3.43Å; L56-G63 WeakPolarHBondContact O-CA 3.34Å; L56-F158 HydrophobicContact CB-CE2 4.38Å; L56-F158 HydrophobicContact CD1-CE2 4.25Å; L56-F158 HydrophobicContact CD1-CZ 4.01Å; L56-L162 HydrophobicContact CD1-CD2 4.27Å; L56-F167 HydrophobicContact CD1-CE2 4.11Å; L56-F170 HydrophobicContact CD2-CD1 4.48Å; L56-F170 HydrophobicContact CD2-CE1 3.46Å; L56-F170 VanDerWaalsContact CD2-CE1 3.46Å; L56-F170 HydrophobicContact CD2-CZ 3.55Å
57C97.9Very high97.2Very high5 Ų554 Ų543%0.03426%0.259CS..Iπ-helixtrans-110.9-7.4-169.3-57.30000113.6Y53 R64 F67 F158Y53-C57 HydrophobicContact CD2-CB 3.76Å; Y53-C57 HydrophobicContact CE2-CB 3.66Å; Y53-C57 WeakPolarHBondContact O-CB 3.41Å; Y53-C57 PolarHBondContact O-N 3.41Å; C57-R64 VanDerWaalsContact O-CA 3.26Å; C57-R64 WeakPolarHBondContact O-CA 3.18Å; C57-R64 WeakPolarHBondContact O-CB 3.44Å; C57-R64 WeakPolarHBondContact O-CG 3.4Å; C57-F67 HydrophobicContact CB-CB 3.96Å; C57-F67 HydrophobicContact CB-CD1 3.79Å; C57-F67 HydrophobicContact CB-CD2 4.23Å; C57-F67 HydrophobicContact CB-CE1 4.34Å; C57-F67 HydrophobicContact CB-CG 3.72Å; C57-F158 VanDerWaalsContact SG-CD2 3.51Å; C57-F158 VanDerWaalsContact SG-CE2 3.52Å
58D93.5Very high97.2Very high67 Ų6745.9 Ų45.936%0.35823%0.229SC..Iπ-helixtrans-126.1-66-178.8-17529.4000111.8C54 Q60C54-D58 WeakPolarHBondContact O-CB 3.32Å; C54-D58 PolarHBondContact O-N 3.17Å; D58-Q60 PolarHBondContact O-N 3.24Å
59K94.8Very high97.2Very high138 Ų13843.3 Ų43.360%0.621%0.209SC*.Iπ-helixtrans-65.6-37.6-175.2-68.5-177.6178.1-178.30114.1C54 P61 I509C54-K59 WeakPolarHBondContact O-CB 3.39Å; C54-K59 WeakPolarHBondContact O-CG 3.21Å; C54-K59 PolarHBondContact O-N 2.89Å; K59-P61 WeakPolarHBondContact O-CD 3.47Å; K59-I509 HydrophobicContact CB-CD1 4.48Å
60Q97.9Very high97.3Very high10 Ų1042.1 Ų42.15%0.04720%0.203CC..SBendtrans-83.9114.2179.7-80.2-18082.800110.8S55 D58 I62 G63 R64 S508S55-Q60 VanDerWaalsContact O-CB 3.25Å; S55-Q60 WeakPolarHBondContact O-CB 3.23Å; S55-Q60 VanDerWaalsContact O-CG 3.24Å; S55-Q60 WeakPolarHBondContact O-CG 3.37Å; S55-Q60 PolarHBondContact O-N 3.2Å; S55-Q60 PolarHBondContact O-NE2 3.32Å; S55-Q60 VanDerWaalsContact O-NE2 3.09Å; S55-Q60 PolarHBondContact OG-NE2 2.48Å; D58-Q60 PolarHBondContact O-N 3.24Å; Q60-I62 PolarHBondContact O-N 3.06Å; Q60-G63 PolarHBondContact O-N 3.47Å; Q60-G63 VanDerWaalsContact O-N 3.07Å; Q60-R64 PolarHBondContact O-N 2.69Å; Q60-S508 PolarHBondContact OE1-OG 3.26Å
61P98.2Very high97.3Very high19 Ų1936.3 Ų36.312%0.12317%0.172CC..Hα-helixtrans-56.4-45.7-171.8-27.233.9000114.9K59 L65 I509 Q512 N513 I516K59-P61 WeakPolarHBondContact O-CD 3.47Å; P61-L65 WeakPolarHBondContact O-CG 3.2Å; P61-L65 PolarHBondContact O-N 2.85Å; P61-I509 HydrophobicContact CG-CG2 4.03Å; P61-Q512 HydrophobicContact CB-CB 4.1Å; P61-Q512 HydrophobicContact CG-CB 4.09Å; P61-N513 VanDerWaalsContact CB-OD1 3.32Å; P61-N513 WeakPolarHBondContact CB-OD1 3.4Å; P61-N513 WeakPolarHBondContact CG-OD1 3.34Å; P61-I516 HydrophobicContact CB-CD1 3.51Å
62I98.8Very high97.2Very high0 Ų034.4 Ų34.40%017%0.169CC..Hα-helixtrans-69.4-38.4178.4-76.2179.3000110.7Q60 L65 L66 F170 W173 W511 Q512 M515 I516 F521Q60-I62 PolarHBondContact O-N 3.06Å; I62-L65 PolarHBondContact O-N 2.96Å; I62-L66 HydrophobicContact CG2-CD1 3.67Å; I62-L66 HydrophobicContact CG2-CG 4.37Å; I62-L66 WeakPolarHBondContact O-CB 3.21Å; I62-L66 WeakPolarHBondContact O-CG 3.41Å; I62-L66 PolarHBondContact O-N 3.3Å; I62-F170 HydrophobicContact CG2-CD2 4.37Å; I62-W173 HydrophobicContact CD1-CD2 3.82Å; I62-W173 HydrophobicContact CD1-CE3 3.72Å; I62-W173 HydrophobicContact CD1-CG 4.19Å; I62-W173 HydrophobicContact CD1-CZ3 4.25Å; I62-W173 HydrophobicContact CG2-CB 4.01Å; I62-W173 HydrophobicContact CG2-CD2 4.41Å; I62-W173 HydrophobicContact CG2-CG 3.82Å; I62-W511 HydrophobicContact CD1-CZ3 4.26Å; I62-Q512 HydrophobicContact CB-CB 4.33Å; I62-Q512 HydrophobicContact CB-CG 4.14Å; I62-Q512 HydrophobicContact CD1-CB 4.1Å; I62-Q512 HydrophobicContact CD1-CG 3.99Å; I62-Q512 HydrophobicContact CG1-CB 3.93Å; I62-Q512 HydrophobicContact CG1-CG 4.09Å; I62-M515 HydrophobicContact CD1-CB 4.04Å; I62-M515 HydrophobicContact CD1-CG 4.41Å; I62-I516 HydrophobicContact CG1-CD1 4.07Å; I62-I516 HydrophobicContact CG1-CG1 4.16Å; I62-F521 HydrophobicContact CB-CE2 4.4Å; I62-F521 HydrophobicContact CD1-CD2 3.88Å; I62-F521 HydrophobicContact CG1-CD2 3.79Å; I62-F521 HydrophobicContact CG1-CE2 4.12Å; I62-F521 HydrophobicContact CG1-CG 4.46Å; I62-F521 HydrophobicContact CG2-CD2 4.19Å; I62-F521 HydrophobicContact CG2-CE2 3.77Å
63G98.6Very high97Very high0 Ų035.5 Ų35.50%018%0.178CC..Hα-helixtrans-64.3-43.517700000112.3L56 Q60 L65 L66 F67L56-G63 CarbonylContact O-C 3.43Å; L56-G63 WeakPolarHBondContact O-CA 3.34Å; Q60-G63 PolarHBondContact O-N 3.47Å; Q60-G63 VanDerWaalsContact O-N 3.07Å; G63-L65 PolarHBondContact O-N 2.8Å; G63-L66 PolarHBondContact O-N 3.01Å; G63-F67 WeakPolarHBondContact O-CB 3.34Å; G63-F67 PolarHBondContact O-N 3.29Å
64R98.4Very high96.8Very high90 Ų9038.6 Ų38.634%0.3419%0.19SC..Hα-helixtrans-57.9-44.7171.2-178.7176.9-180-90.25.6112.4C57 Q60 R68C57-R64 VanDerWaalsContact O-CA 3.26Å; C57-R64 WeakPolarHBondContact O-CA 3.18Å; C57-R64 WeakPolarHBondContact O-CB 3.44Å; C57-R64 WeakPolarHBondContact O-CG 3.4Å; Q60-R64 PolarHBondContact O-N 2.69Å; R64-R68 WeakPolarHBondContact O-CB 3.42Å; R64-R68 VanDerWaalsContact O-CG 3.24Å; R64-R68 WeakPolarHBondContact O-CG 3.2Å; R64-R68 PolarHBondContact O-N 2.98Å
65L98.4Very high96.3Very high53 Ų5341.8 Ų41.828%0.27721%0.21SC..Hα-helixtrans-64.1-43.5176.8-72.7176.5000112.3P61 I62 G63 R68 Q69 I516 F521P61-L65 WeakPolarHBondContact O-CG 3.2Å; P61-L65 PolarHBondContact O-N 2.85Å; I62-L65 PolarHBondContact O-N 2.96Å; G63-L65 PolarHBondContact O-N 2.8Å; L65-R68 PolarHBondContact O-N 2.98Å; L65-Q69 WeakPolarHBondContact O-CG 3.26Å; L65-Q69 PolarHBondContact O-N 2.79Å; L65-I516 HydrophobicContact CD1-CD1 3.52Å; L65-I516 HydrophobicContact CD1-CG1 3.8Å; L65-I516 HydrophobicContact CD1-CG2 4.45Å; L65-F521 HydrophobicContact CB-CE1 4.18Å; L65-F521 HydrophobicContact CB-CZ 4.09Å; L65-F521 HydrophobicContact CD1-CD1 3.98Å; L65-F521 HydrophobicContact CD1-CE1 3.72Å; L65-F521 HydrophobicContact CD1-CZ 4.26Å
66L98.6Very high95.9Very high0 Ų042.3 Ų42.30%022%0.221CC..Hα-helixtrans-69.4-37.1179.4-73.3166.3000112.3I62 G63 R68 Q69 F70 Y161 Y166 R169 F170 F521 F527I62-L66 HydrophobicContact CG2-CD1 3.67Å; I62-L66 HydrophobicContact CG2-CG 4.37Å; I62-L66 WeakPolarHBondContact O-CB 3.21Å; I62-L66 WeakPolarHBondContact O-CG 3.41Å; I62-L66 PolarHBondContact O-N 3.3Å; G63-L66 PolarHBondContact O-N 3.01Å; L66-R68 VanDerWaalsContact C-N 3.34Å; L66-Q69 PolarHBondContact O-N 3.28Å; L66-F70 WeakPolarHBondContact O-CB 3.49Å; L66-F70 PolarHBondContact O-N 2.96Å; L66-Y161 HydrophobicContact CB-CE2 4.43Å; L66-Y166 HydrophobicContact CD2-CD1 4.44Å; L66-R169 HydrophobicContact CD1-CG 4.31Å; L66-R169 HydrophobicContact CD2-CB 4.33Å; L66-R169 HydrophobicContact CD2-CG 3.86Å; L66-F170 VanDerWaalsContact CD1-CA 3.49Å; L66-F170 HydrophobicContact CD1-CB 3.61Å; L66-F170 HydrophobicContact CD1-CD2 4.26Å; L66-F170 HydrophobicContact CD1-CG 4.45Å; L66-F521 HydrophobicContact CD2-CZ 4.38Å; L66-F521 HydrophobicContact CG-CE2 4.41Å; L66-F521 HydrophobicContact CG-CZ 4.33Å; L66-F527 HydrophobicContact CD2-CZ 4.41Å
67F98.5Very high95.8Very high3 Ų342.7 Ų42.71%0.01322%0.223CC..Hα-helixtrans-63.7-40.8172.6-175.7-111.6000111.5Y53 C57 G63 F70 C71 L153 Y161Y53-F67 AromaticContact CE2-CE1 3.89Å; Y53-F67 HydrophobicContact CE2-CE1 3.89Å; Y53-F67 AromaticContact CE2-CZ 3.91Å; Y53-F67 HydrophobicContact CE2-CZ 3.91Å; C57-F67 HydrophobicContact CB-CB 3.96Å; C57-F67 HydrophobicContact CB-CD1 3.79Å; C57-F67 HydrophobicContact CB-CD2 4.23Å; C57-F67 HydrophobicContact CB-CE1 4.34Å; C57-F67 HydrophobicContact CB-CG 3.72Å; G63-F67 WeakPolarHBondContact O-CB 3.34Å; G63-F67 PolarHBondContact O-N 3.29Å; F67-F70 HydrophobicContact CD2-CD1 4.18Å; F67-F70 HydrophobicContact CE2-CD1 4.18Å; F67-F70 HydrophobicContact CE2-CE1 4.23Å; F67-F70 WeakPolarHBondContact O-CB 3.41Å; F67-F70 PolarHBondContact O-N 3.38Å; F67-C71 PolarHBondContact O-N 2.62Å; F67-C71 PolarHBondContact O-SG 2.77Å; F67-L153 HydrophobicContact CE1-CB 4.47Å; F67-L153 HydrophobicContact CE1-CD1 4.46Å; F67-L153 HydrophobicContact CZ-CB 4.36Å; F67-L153 HydrophobicContact CZ-CD2 4.43Å; F67-Y161 HydrophobicContact CB-CE2 4.33Å; F67-Y161 AromaticContact CD2-CD1 3.89Å; F67-Y161 HydrophobicContact CD2-CD1 3.89Å; F67-Y161 AromaticContact CD2-CD2 3.89Å; F67-Y161 HydrophobicContact CD2-CD2 3.89Å; F67-Y161 HydrophobicContact CD2-CE1 4.43Å; F67-Y161 HydrophobicContact CD2-CE2 4.45Å; F67-Y161 AromaticContact CD2-CG 3.57Å; F67-Y161 HydrophobicContact CD2-CG 3.57Å; F67-Y161 HydrophobicContact CE2-CG 4.15Å
68R97.4Very high95.7Very high28 Ų2845.8 Ų45.811%0.10624%0.237CC..Hα-helixtrans-64.3-46.8174.6-75.4170.8167.1-101.9-2.9112.6R64 L65 L66 F70 C71 E72 I81 D85R64-R68 WeakPolarHBondContact O-CB 3.42Å; R64-R68 VanDerWaalsContact O-CG 3.24Å; R64-R68 WeakPolarHBondContact O-CG 3.2Å; R64-R68 PolarHBondContact O-N 2.98Å; L65-R68 PolarHBondContact O-N 2.98Å; L66-R68 VanDerWaalsContact C-N 3.34Å; R68-F70 PolarHBondContact O-N 3.21Å; R68-C71 PolarHBondContact O-N 3.09Å; R68-E72 VanDerWaalsContact O-CG 3.3Å; R68-E72 WeakPolarHBondContact O-CG 3.38Å; R68-E72 PolarHBondContact O-N 3.32Å; R68-I81 HydrophobicContact CG-CD1 4.39Å; R68-I81 HydrophobicContact CG-CG2 3.97Å; R68-D85 IonicContact CZ-OD1 3.61Å; R68-D85 IonicContact CZ-OD2 3.2Å; R68-D85 IonicContact NH1-OD1 3.7Å; R68-D85 PolarHBondContact NH1-OD1 3.25Å; R68-D85 IonicContact NH1-OD2 2.61Å; R68-D85 PolarHBondContact NH1-OD2 3.41Å; R68-D85 IonicContact NH2-OD1 2.79Å; R68-D85 PolarHBondContact NH2-OD1 2.81Å
69Q96.3Very high95.8Very high56 Ų5643.3 Ų43.326%0.26223%0.225SC..Hα-helixtrans-55.8-39.8173.9-74.4-178.7-14.900111.9L65 L66 T73 Y166 N525L65-Q69 WeakPolarHBondContact O-CG 3.26Å; L65-Q69 PolarHBondContact O-N 2.79Å; L66-Q69 PolarHBondContact O-N 3.28Å; Q69-T73 WeakPolarHBondContact O-CG2 3.43Å; Q69-T73 PolarHBondContact O-N 3.2Å; Q69-Y166 HydrophobicContact CB-CD1 3.97Å; Q69-Y166 HydrophobicContact CB-CE1 3.78Å; Q69-N525 PolarHBondContact OE1-ND2 2.61Å
70F97.1Very high95.8Very high2 Ų237.4 Ų37.41%0.00920%0.199CC..Hα-helixtrans-63.3-48.7173.5162.3-95.1000112.3L66 F67 R68 E72 T73 L77 P157 E160 Y161 Y166L66-F70 WeakPolarHBondContact O-CB 3.49Å; L66-F70 PolarHBondContact O-N 2.96Å; F67-F70 HydrophobicContact CD2-CD1 4.18Å; F67-F70 HydrophobicContact CE2-CD1 4.18Å; F67-F70 HydrophobicContact CE2-CE1 4.23Å; F67-F70 WeakPolarHBondContact O-CB 3.41Å; F67-F70 PolarHBondContact O-N 3.38Å; R68-F70 PolarHBondContact O-N 3.21Å; F70-E72 VanDerWaalsContact C-N 3.33Å; F70-E72 PolarHBondContact O-N 3.02Å; F70-T73 PolarHBondContact O-N 2.79Å; F70-T73 PolarHBondContact O-OG1 3.14Å; F70-L77 HydrophobicContact CE1-CD1 3.99Å; F70-P157 WeakPolarHBondContact CE1-O 3.38Å; F70-E160 VanDerWaalsContact CZ-C 3.44Å; F70-E160 HydrophobicContact CZ-CB 3.8Å; F70-Y161 HydrophobicContact CB-CD2 4.01Å; F70-Y161 HydrophobicContact CD1-CD2 4.2Å; F70-Y161 HydrophobicContact CD1-CG 4.48Å; F70-Y161 HydrophobicContact CD2-CD2 4.39Å; F70-Y161 AromaticContact CG-CD2 3.97Å; F70-Y161 HydrophobicContact CG-CD2 3.97Å; F70-Y166 HydrophobicContact CB-CD1 4.49Å; F70-Y166 HydrophobicContact CB-CD2 3.71Å; F70-Y166 HydrophobicContact CB-CE2 4.22Å; F70-Y166 HydrophobicContact CB-CG 3.86Å; F70-Y166 AromaticContact CD2-CD2 3.88Å; F70-Y166 HydrophobicContact CD2-CD2 3.88Å; F70-Y166 HydrophobicContact CD2-CE2 4.39Å; F70-Y166 HydrophobicContact CG-CD2 4.32Å
71C97Very high95.8Very high0 Ų037.3 Ų37.30%020%0.198CC..Hα-helixtrans-61.3-38.4177.6-69.30000112.7F67 R68 T73 R74 L77 I81F67-C71 PolarHBondContact O-N 2.62Å; F67-C71 PolarHBondContact O-SG 2.77Å; R68-C71 PolarHBondContact O-N 3.09Å; C71-T73 PolarHBondContact O-N 3.19Å; C71-R74 CarbonylContact O-C 3.55Å; C71-R74 PolarHBondContact O-N 3.06Å; C71-L77 HydrophobicContact CB-CB 3.88Å; C71-I81 HydrophobicContact CB-CD1 4.21Å; C71-I81 HydrophobicContact CB-CG1 3.64Å
72E93.8Very high95.7Very high108 Ų10839.1 Ų39.151%0.50521%0.205SC..Hα-helixtrans-62.2-24.3178-73163.2-16200113.1R68 F70 R74R68-E72 VanDerWaalsContact O-CG 3.3Å; R68-E72 WeakPolarHBondContact O-CG 3.38Å; R68-E72 PolarHBondContact O-N 3.32Å; F70-E72 VanDerWaalsContact C-N 3.33Å; F70-E72 PolarHBondContact O-N 3.02Å; E72-R74 PolarHBondContact O-N 3.23Å
73T93Very high95.6Very high76 Ų7639.1 Ų39.147%0.46621%0.205SC..THydrogen-bonded Turntrans-73.4-5.9173.567.30000113.8Q69 F70 C71 Y166Q69-T73 WeakPolarHBondContact O-CG2 3.43Å; Q69-T73 PolarHBondContact O-N 3.2Å; F70-T73 PolarHBondContact O-N 2.79Å; F70-T73 PolarHBondContact O-OG1 3.14Å; C71-T73 PolarHBondContact O-N 3.19Å; T73-Y166 HydrophobicContact CG2-CE2 4.35Å; T73-Y166 WeakPolarHBondContact CG2-OH 3.49Å
74R93.3Very high95.5Very high74 Ų7440.1 Ų40.128%0.27921%0.21SC..  trans-131.4106.3-171.9-66.7162.7179.9-163.2-4.1109C71 E72 G76 L77 E78 E160C71-R74 CarbonylContact O-C 3.55Å; C71-R74 PolarHBondContact O-N 3.06Å; E72-R74 PolarHBondContact O-N 3.23Å; R74-G76 PolarHBondContact O-N 2.85Å; R74-L77 HydrophobicContact CB-CB 4.26Å; R74-L77 HydrophobicContact CB-CD1 4.33Å; R74-L77 HydrophobicContact CB-CG 4.23Å; R74-L77 PolarHBondContact O-N 3.41Å; R74-E78 PolarHBondContact O-N 2.91Å; R74-E160 IonicContact CZ-OE2 3.56Å; R74-E160 IonicContact NH1-OE2 2.71Å; R74-E160 PolarHBondContact NH1-OE2 2.94Å; R74-E160 IonicContact NH2-OE2 3.45Å
75P86Confident95.4Very high109 Ų10938.4 Ų38.471%0.70821%0.208SC*.Hα-helixtrans-53.6-32.1-179.6-2935.6000113.5L77P75-L77 VanDerWaalsContact C-N 3.3Å; P75-L77 PolarHBondContact O-N 3.27Å
76G89.3Confident95.4Very high49 Ų4936.2 Ų36.251%0.50520%0.197SC..Hα-helixtrans-71.7-14176.500000115.4R74 Y80R74-G76 PolarHBondContact O-N 2.85Å; G76-Y80 WeakPolarHBondContact O-CD2 3.33Å; G76-Y80 WeakPolarHBondContact O-CE2 3.31Å
77L95.4Very high95.3Very high9 Ų936.4 Ų36.45%0.04720%0.198CC..Hα-helixtrans-107.4-29.6175-63.3-177000112.2F70 C71 R74 P75 C79 Y80 I81 Y152 P157F70-L77 HydrophobicContact CE1-CD1 3.99Å; C71-L77 HydrophobicContact CB-CB 3.88Å; R74-L77 HydrophobicContact CB-CB 4.26Å; R74-L77 HydrophobicContact CB-CD1 4.33Å; R74-L77 HydrophobicContact CB-CG 4.23Å; R74-L77 PolarHBondContact O-N 3.41Å; P75-L77 VanDerWaalsContact C-N 3.3Å; P75-L77 PolarHBondContact O-N 3.27Å; L77-C79 VanDerWaalsContact C-N 3.29Å; L77-C79 PolarHBondContact O-N 3.13Å; L77-Y80 WeakPolarHBondContact O-CB 3.44Å; L77-Y80 PolarHBondContact O-N 3.42Å; L77-Y80 VanDerWaalsContact O-N 3.15Å; L77-I81 PolarHBondContact O-N 3.45Å; L77-Y152 HydrophobicContact CD2-CE1 4.13Å; L77-P157 HydrophobicContact CD1-CB 4.03Å; L77-P157 HydrophobicContact CD2-CB 3.87Å; L77-P157 HydrophobicContact CD2-CG 3.73Å
78E95Very high95.1Very high70 Ų7038.7 Ų38.733%0.32722%0.218SC..Hα-helixtrans-54.9-41.8-178.5-168.8-172.317100112.8R74 Y80 I81 Q82R74-E78 PolarHBondContact O-N 2.91Å; E78-Y80 VanDerWaalsContact C-N 3.26Å; E78-Y80 PolarHBondContact O-N 3.05Å; E78-I81 PolarHBondContact O-N 3.14Å; E78-I81 VanDerWaalsContact O-N 3.09Å; E78-Q82 HydrophobicContact CG-CG 4.39Å; E78-Q82 WeakPolarHBondContact O-CG 3.44Å; E78-Q82 PolarHBondContact O-N 2.65Å; E78-Q82 PolarHBondContact OE1-NE2 2.84Å
79C95.3Very high95Very high15 Ų1542.1 Ų42.110%0.10124%0.235CC..Hα-helixtrans-60.7-32-179.557.20000113.5L77 F83 V116 I118L77-C79 VanDerWaalsContact C-N 3.29Å; L77-C79 PolarHBondContact O-N 3.13Å; C79-F83 WeakPolarHBondContact O-CB 3.38Å; C79-F83 PolarHBondContact O-N 3.26Å; C79-V116 HydrophobicContact CB-CB 4.09Å; C79-I118 HydrophobicContact CB-CG2 4.17Å
80Y96.6Very high95Very high14 Ų1439.4 Ų39.46%0.05522%0.222CC..Hα-helixtrans-70.3-39176.1-63.4-88.2000111.7G76 L77 E78 F83 L84 I118 Q120 V149 Y152G76-Y80 WeakPolarHBondContact O-CD2 3.33Å; G76-Y80 WeakPolarHBondContact O-CE2 3.31Å; L77-Y80 WeakPolarHBondContact O-CB 3.44Å; L77-Y80 PolarHBondContact O-N 3.42Å; L77-Y80 VanDerWaalsContact O-N 3.15Å; E78-Y80 VanDerWaalsContact C-N 3.26Å; E78-Y80 PolarHBondContact O-N 3.05Å; Y80-F83 PolarHBondContact O-N 3.26Å; Y80-L84 WeakPolarHBondContact O-CG 3.32Å; Y80-L84 PolarHBondContact O-N 2.86Å; Y80-L84 VanDerWaalsContact O-N 3.08Å; Y80-I118 HydrophobicContact CD1-CB 3.98Å; Y80-I118 HydrophobicContact CD1-CG2 3.7Å; Y80-I118 HydrophobicContact CD2-CG2 4.35Å; Y80-I118 HydrophobicContact CE1-CB 3.68Å; Y80-I118 HydrophobicContact CE1-CG2 3.78Å; Y80-I118 HydrophobicContact CE2-CG2 4.4Å; Y80-I118 HydrophobicContact CG-CG2 4.02Å; Y80-Q120 HydrophobicContact CE1-CB 3.97Å; Y80-Q120 HydrophobicContact CE1-CG 3.87Å; Y80-Q120 VanDerWaalsContact OH-CG 3.25Å; Y80-Q120 WeakPolarHBondContact OH-CG 3.15Å; Y80-V149 HydrophobicContact CD1-CG1 3.93Å; Y80-V149 HydrophobicContact CD1-CG2 4.21Å; Y80-V149 HydrophobicContact CG-CG1 4.41Å; Y80-Y152 AromaticContact CD1-CD1 3.92Å; Y80-Y152 HydrophobicContact CD1-CD1 3.92Å; Y80-Y152 HydrophobicContact CD1-CE1 4.21Å; Y80-Y152 HydrophobicContact CD2-CD1 4.48Å; Y80-Y152 AromaticContact CD2-CE1 3.99Å; Y80-Y152 HydrophobicContact CD2-CE1 3.99Å; Y80-Y152 AromaticContact CE1-CD1 3.7Å; Y80-Y152 HydrophobicContact CE1-CD1 3.7Å; Y80-Y152 AromaticContact CE1-CE1 3.86Å; Y80-Y152 HydrophobicContact CE1-CE1 3.86Å; Y80-Y152 HydrophobicContact CE2-CD1 4.31Å; Y80-Y152 AromaticContact CE2-CE1 3.64Å; Y80-Y152 HydrophobicContact CE2-CE1 3.64Å; Y80-Y152 HydrophobicContact CG-CD1 4.3Å; Y80-Y152 HydrophobicContact CG-CE1 4.26Å; Y80-Y152 AromaticContact CZ-CD1 3.92Å; Y80-Y152 AromaticContact CZ-CE1 3.57Å
81I96.4Very high94.9Very high8 Ų842 Ų424%0.04123%0.234CC..Hα-helixtrans-66.2-45.9175.9-57.1-54.8000110.3R68 C71 L77 E78 F83 L84 D85 L153R68-I81 HydrophobicContact CG-CD1 4.39Å; R68-I81 HydrophobicContact CG-CG2 3.97Å; C71-I81 HydrophobicContact CB-CD1 4.21Å; C71-I81 HydrophobicContact CB-CG1 3.64Å; L77-I81 PolarHBondContact O-N 3.45Å; E78-I81 PolarHBondContact O-N 3.14Å; E78-I81 VanDerWaalsContact O-N 3.09Å; I81-F83 VanDerWaalsContact C-N 3.29Å; I81-F83 PolarHBondContact O-N 3.49Å; I81-L84 PolarHBondContact O-N 3.45Å; I81-D85 PolarHBondContact O-N 3.44Å; I81-L153 HydrophobicContact CD1-CD1 4.2Å
82Q95.8Very high94.7Very high57 Ų5743.2 Ų43.227%0.26624%0.242SC..Hα-helixtrans-61.6-36.6176.6-68178.3100112.5E78 S86 Y109E78-Q82 HydrophobicContact CG-CG 4.39Å; E78-Q82 WeakPolarHBondContact O-CG 3.44Å; E78-Q82 PolarHBondContact O-N 2.65Å; E78-Q82 PolarHBondContact OE1-NE2 2.84Å; Q82-S86 WeakPolarHBondContact O-CB 3.32Å; Q82-S86 PolarHBondContact O-N 2.76Å; Q82-S86 PolarHBondContact O-OG 2.96Å; Q82-Y109 HydrophobicContact CB-CE1 4.02Å; Q82-Y109 PolarHBondContact O-OH 2.99Å
83F97.3Very high94.7Very high0 Ų039.2 Ų39.20%023%0.225CC..Hα-helixtrans-61.7-50.8172.4169.9-100.8000111.5C79 Y80 I81 D85 S86 V87 I105 Y109 L110 I118 C145 V149C79-F83 WeakPolarHBondContact O-CB 3.38Å; C79-F83 PolarHBondContact O-N 3.26Å; Y80-F83 PolarHBondContact O-N 3.26Å; I81-F83 VanDerWaalsContact C-N 3.29Å; I81-F83 PolarHBondContact O-N 3.49Å; F83-D85 VanDerWaalsContact C-N 3.28Å; F83-D85 PolarHBondContact O-N 2.93Å; F83-S86 WeakPolarHBondContact O-CA 3.24Å; F83-S86 WeakPolarHBondContact O-CB 3.41Å; F83-S86 PolarHBondContact O-N 3.13Å; F83-V87 HydrophobicContact CD1-CG2 4.31Å; F83-V87 HydrophobicContact CD2-CG2 4.34Å; F83-V87 HydrophobicContact CE1-CG2 3.8Å; F83-V87 HydrophobicContact CE2-CG2 3.83Å; F83-V87 HydrophobicContact CZ-CG2 3.52Å; F83-V87 WeakPolarHBondContact O-CG2 3.37Å; F83-V87 PolarHBondContact O-N 3.11Å; F83-I105 HydrophobicContact CD2-CG2 4.09Å; F83-I105 HydrophobicContact CE2-CG2 3.68Å; F83-Y109 HydrophobicContact CB-CD1 3.98Å; F83-Y109 HydrophobicContact CB-CD2 4.37Å; F83-Y109 HydrophobicContact CB-CE1 4.33Å; F83-Y109 HydrophobicContact CB-CG 3.99Å; F83-Y109 AromaticContact CD2-CD2 3.81Å; F83-Y109 HydrophobicContact CD2-CD2 3.81Å; F83-Y109 AromaticContact CD2-CG 3.77Å; F83-Y109 HydrophobicContact CD2-CG 3.77Å; F83-Y109 HydrophobicContact CG-CG 4.37Å; F83-L110 HydrophobicContact CE2-CD1 4.43Å; F83-L110 HydrophobicContact CE2-CD2 4.31Å; F83-L110 HydrophobicContact CE2-CG 4.43Å; F83-I118 HydrophobicContact CB-CD1 3.9Å; F83-I118 HydrophobicContact CD1-CD1 3.64Å; F83-I118 HydrophobicContact CD2-CD1 3.71Å; F83-I118 HydrophobicContact CE1-CD1 4.07Å; F83-I118 HydrophobicContact CE2-CD1 4.13Å; F83-I118 HydrophobicContact CG-CD1 3.44Å; F83-I118 VanDerWaalsContact CG-CD1 3.44Å; F83-I118 HydrophobicContact CZ-CD1 4.31Å; F83-C145 HydrophobicContact CE1-CB 4.08Å; F83-C145 HydrophobicContact CZ-CB 3.56Å; F83-V149 HydrophobicContact CD1-CG2 3.76Å; F83-V149 HydrophobicContact CE1-CG2 3.84Å
84L97.1Very high94.6Very high21 Ų2137.5 Ų37.511%0.1122%0.215CC..Hα-helixtrans-59.5-38.8178.7-68.8173.6000112.1Y80 I81 S86 V87 A88 A146 V149 L153Y80-L84 WeakPolarHBondContact O-CG 3.32Å; Y80-L84 PolarHBondContact O-N 2.86Å; Y80-L84 VanDerWaalsContact O-N 3.08Å; I81-L84 PolarHBondContact O-N 3.45Å; L84-S86 VanDerWaalsContact C-N 3.35Å; L84-V87 PolarHBondContact O-N 3.26Å; L84-A88 PolarHBondContact O-N 2.81Å; L84-A146 HydrophobicContact CD2-CB 3.84Å; L84-V149 HydrophobicContact CD1-CG1 3.99Å; L84-V149 HydrophobicContact CD2-CB 4.27Å; L84-V149 HydrophobicContact CD2-CG1 4.1Å; L84-V149 HydrophobicContact CG-CG1 3.97Å; L84-L153 HydrophobicContact CD1-CD1 4.01Å
85D95.9Very high94.4Very high54 Ų5438.7 Ų38.729%0.28923%0.227SC..Hα-helixtrans-65.2-39.8174.8-67.6-18.7000111.7R68 I81 F83 V87 A88 E89R68-D85 IonicContact CZ-OD1 3.61Å; R68-D85 IonicContact CZ-OD2 3.2Å; R68-D85 IonicContact NH1-OD1 3.7Å; R68-D85 PolarHBondContact NH1-OD1 3.25Å; R68-D85 IonicContact NH1-OD2 2.61Å; R68-D85 PolarHBondContact NH1-OD2 3.41Å; R68-D85 IonicContact NH2-OD1 2.79Å; R68-D85 PolarHBondContact NH2-OD1 2.81Å; I81-D85 PolarHBondContact O-N 3.44Å; F83-D85 VanDerWaalsContact C-N 3.28Å; F83-D85 PolarHBondContact O-N 2.93Å; D85-V87 VanDerWaalsContact C-N 3.31Å; D85-V87 PolarHBondContact O-N 3.27Å; D85-A88 PolarHBondContact O-N 2.99Å; D85-E89 WeakPolarHBondContact O-CG 3.09Å; D85-E89 PolarHBondContact O-N 2.83Å
86S97.6Very high94.7Very high7 Ų741.3 Ų41.35%0.04923%0.23CC..Hα-helixtrans-66.5-33.7176.3-53.90000112.2Q82 F83 L84 E89 Y90 I105 Y109Q82-S86 WeakPolarHBondContact O-CB 3.32Å; Q82-S86 PolarHBondContact O-N 2.76Å; Q82-S86 PolarHBondContact O-OG 2.96Å; F83-S86 WeakPolarHBondContact O-CA 3.24Å; F83-S86 WeakPolarHBondContact O-CB 3.41Å; F83-S86 PolarHBondContact O-N 3.13Å; L84-S86 VanDerWaalsContact C-N 3.35Å; S86-E89 PolarHBondContact O-N 3.16Å; S86-Y90 WeakPolarHBondContact O-CB 3.34Å; S86-Y90 PolarHBondContact O-N 2.52Å; S86-I105 VanDerWaalsContact O-CD1 3.3Å; S86-I105 WeakPolarHBondContact O-CD1 3.44Å; S86-Y109 VanDerWaalsContact OG-CE2 3.22Å; S86-Y109 WeakPolarHBondContact OG-CE2 3.21Å; S86-Y109 PolarHBondContact OG-OH 3.02Å
87V97.1Very high94.9Very high4 Ų444.6 Ų44.62%0.02423%0.23CC..Hα-helixtrans-66.8-45.1173172.60000110.8F83 L84 D85 E89 Y90 E91 F142 A146F83-V87 HydrophobicContact CD1-CG2 4.31Å; F83-V87 HydrophobicContact CD2-CG2 4.34Å; F83-V87 HydrophobicContact CE1-CG2 3.8Å; F83-V87 HydrophobicContact CE2-CG2 3.83Å; F83-V87 HydrophobicContact CZ-CG2 3.52Å; F83-V87 WeakPolarHBondContact O-CG2 3.37Å; F83-V87 PolarHBondContact O-N 3.11Å; L84-V87 PolarHBondContact O-N 3.26Å; D85-V87 VanDerWaalsContact C-N 3.31Å; D85-V87 PolarHBondContact O-N 3.27Å; V87-E89 VanDerWaalsContact C-N 3.29Å; V87-E89 PolarHBondContact O-N 3.28Å; V87-Y90 WeakPolarHBondContact O-CA 3.38Å; V87-Y90 WeakPolarHBondContact O-CB 3.4Å; V87-Y90 PolarHBondContact O-N 3.16Å; V87-E91 PolarHBondContact O-N 3.2Å; V87-F142 HydrophobicContact CB-CB 4.41Å; V87-F142 HydrophobicContact CG1-CB 3.86Å; V87-F142 HydrophobicContact CG2-CB 3.68Å; V87-F142 HydrophobicContact CG2-CG 4.16Å; V87-A146 HydrophobicContact CG1-CB 4.45Å
88A94.2Very high94.9Very high51 Ų5144.4 Ų44.442%0.42123%0.229SC..Hα-helixtrans-59.8-39.4175.500000112L84 D85 E91L84-A88 PolarHBondContact O-N 2.81Å; D85-A88 PolarHBondContact O-N 2.99Å; A88-E91 PolarHBondContact O-N 2.88Å
89E96.1Very high94.9Very high100 Ų10042.2 Ų42.247%0.46723%0.225SC..Hα-helixtrans-64.4-37.9172.4-71.7174-173.800112.8D85 S86 V87 V92 T93 K101D85-E89 WeakPolarHBondContact O-CG 3.09Å; D85-E89 PolarHBondContact O-N 2.83Å; S86-E89 PolarHBondContact O-N 3.16Å; V87-E89 VanDerWaalsContact C-N 3.29Å; V87-E89 PolarHBondContact O-N 3.28Å; E89-V92 VanDerWaalsContact O-CG2 3.29Å; E89-V92 WeakPolarHBondContact O-CG2 3.37Å; E89-V92 PolarHBondContact O-N 3.43Å; E89-T93 PolarHBondContact O-N 3.28Å; E89-T93 VanDerWaalsContact O-N 3.13Å; E89-T93 PolarHBondContact O-OG1 2.96Å; E89-K101 WeakPolarHBondContact OE2-CE 3.23Å; E89-K101 IonicContact OE2-NZ 3.75Å; E89-K101 PolarHBondContact OE2-NZ 2.9Å
90Y96.5Very high95Very high0 Ų048.2 Ų48.20%025%0.252CS..Hα-helixtrans-63.6-42.3177.3172.7-85000111.8S86 V87 V92 T93 L98 K101 I105 P137 C138 L141 F142S86-Y90 WeakPolarHBondContact O-CB 3.34Å; S86-Y90 PolarHBondContact O-N 2.52Å; V87-Y90 WeakPolarHBondContact O-CA 3.38Å; V87-Y90 WeakPolarHBondContact O-CB 3.4Å; V87-Y90 PolarHBondContact O-N 3.16Å; Y90-V92 PolarHBondContact O-N 2.85Å; Y90-T93 WeakPolarHBondContact O-CB 3.3Å; Y90-T93 PolarHBondContact O-N 3.25Å; Y90-T93 VanDerWaalsContact O-N 3.13Å; Y90-L98 HydrophobicContact CD1-CD2 4.42Å; Y90-L98 HydrophobicContact CD2-CD2 4.21Å; Y90-L98 HydrophobicContact CE1-CD2 4.07Å; Y90-L98 HydrophobicContact CE2-CB 4.13Å; Y90-L98 HydrophobicContact CE2-CD2 3.86Å; Y90-L98 WeakPolarHBondContact CE2-O 3.32Å; Y90-L98 HydrophobicContact CG-CD2 4.46Å; Y90-L98 WeakPolarHBondContact O-CD2 3.42Å; Y90-K101 HydrophobicContact CD2-CB 4.05Å; Y90-K101 HydrophobicContact CD2-CG 3.9Å; Y90-K101 HydrophobicContact CG-CG 4.45Å; Y90-I105 HydrophobicContact CD2-CD1 4.26Å; Y90-I105 HydrophobicContact CG-CD1 4.25Å; Y90-P137 WeakPolarHBondContact OH-CB 3.42Å; Y90-C138 VanDerWaalsContact CE1-O 3.3Å; Y90-C138 WeakPolarHBondContact CE1-O 3.37Å; Y90-C138 PolarHBondContact OH-O 3.39Å; Y90-L141 HydrophobicContact CE1-CB 3.84Å; Y90-L141 HydrophobicContact CE2-CD2 4.25Å; Y90-L141 WeakPolarHBondContact OH-CB 3.31Å; Y90-L141 VanDerWaalsContact OH-CD2 3.28Å; Y90-L141 WeakPolarHBondContact OH-CD2 3.28Å; Y90-F142 AromaticContact CD1-CD2 3.84Å; Y90-F142 HydrophobicContact CD1-CD2 3.84Å; Y90-F142 HydrophobicContact CD1-CE2 4.27Å; Y90-F142 HydrophobicContact CD2-CD2 4.17Å; Y90-F142 AromaticContact CD2-CE2 3.77Å; Y90-F142 HydrophobicContact CD2-CE2 3.77Å; Y90-F142 HydrophobicContact CE1-CD2 4.04Å; Y90-F142 HydrophobicContact CE1-CE2 4.33Å; Y90-F142 HydrophobicContact CE2-CD2 4.34Å; Y90-F142 AromaticContact CE2-CE2 3.82Å; Y90-F142 HydrophobicContact CE2-CE2 3.82Å; Y90-F142 AromaticContact CG-CD2 3.93Å; Y90-F142 HydrophobicContact CG-CD2 3.93Å; Y90-F142 HydrophobicContact CG-CE2 4.01Å
91E94.2Very high95.1Very high56 Ų5648.8 Ų48.826%0.26226%0.255SS..Hα-helixtrans-60.5-28.8-179-73.2178.1-162.500113.6V87 A88 K139V87-E91 PolarHBondContact O-N 3.2Å; A88-E91 PolarHBondContact O-N 2.88Å; E91-K139 WeakPolarHBondContact O-CD 3.29Å
92V93.4Very high95.1Very high26 Ų2648.4 Ų48.416%0.15825%0.253CS..Hα-helixtrans-101.1-5.1179.2-60.70000113.9E89 Y90 R455 A458 M460E89-V92 VanDerWaalsContact O-CG2 3.29Å; E89-V92 WeakPolarHBondContact O-CG2 3.37Å; E89-V92 PolarHBondContact O-N 3.43Å; Y90-V92 PolarHBondContact O-N 2.85Å; V92-R455 HydrophobicContact CB-CG 4.46Å; V92-R455 WeakPolarHBondContact O-CG 3.36Å; V92-A458 HydrophobicContact CG1-CB 3.65Å; V92-M460 HydrophobicContact CB-CE 4.09Å; V92-M460 HydrophobicContact CB-SD 3.7Å; V92-M460 HydrophobicContact CG1-CE 4.11Å; V92-M460 HydrophobicContact CG1-SD 4.05Å; V92-M460 HydrophobicContact CG2-CE 3.76Å; V92-M460 HydrophobicContact CG2-SD 3.87Å
93T93.8Very high95.2Very high23 Ų2352 Ų5214%0.14127%0.267CS..SBendtrans-63137.8177-70.10000109.8E89 Y90 K97 L98 K101 K139E89-T93 PolarHBondContact O-N 3.28Å; E89-T93 VanDerWaalsContact O-N 3.13Å; E89-T93 PolarHBondContact O-OG1 2.96Å; Y90-T93 WeakPolarHBondContact O-CB 3.3Å; Y90-T93 PolarHBondContact O-N 3.25Å; Y90-T93 VanDerWaalsContact O-N 3.13Å; T93-K97 HydrophobicContact CG2-CB 3.58Å; T93-L98 HydrophobicContact CG2-CD2 4.26Å; T93-K101 HydrophobicContact CG2-CB 4.18Å; T93-K139 PolarHBondContact O-NZ 3.25Å
94P90.4Very high95.2Very high40 Ų4056.2 Ų56.226%0.2629%0.287SS..  trans-53.5148.1175.4-2735.3000113.2E96 K97 L98P94-E96 WeakPolarHBondContact CB-OE2 3.32Å; P94-E96 PolarHBondContact O-N 3.03Å; P94-K97 PolarHBondContact O-N 3.44Å; P94-L98 PolarHBondContact O-N 2.87Å
95D88.8Confident95.3Very high99 Ų9955.2 Ų55.253%0.52928%0.282SS..G310 helixtrans-56.5-37.5-174-73.921.7000112.3K97 L98 K139D95-K97 PolarHBondContact O-N 3.33Å; D95-L98 PolarHBondContact O-N 2.86Å; D95-K139 WeakPolarHBondContact OD1-CE 3.43Å; D95-K139 IonicContact OD1-NZ 3.64Å; D95-K139 PolarHBondContact OD1-NZ 3.32Å
96E91.5Very high95.4Very high164 Ų16453.4 Ų53.477%0.76627%0.272SS*.G310 helixtrans-68.9-20179.9-44.986.2-173.700113P94P94-E96 WeakPolarHBondContact CB-OE2 3.32Å; P94-E96 PolarHBondContact O-N 3.03Å
97K95Very high95.4Very high119 Ų11957.4 Ų57.452%0.51730%0.296SS..G310 helixtrans-103.5-4.1-176.7-65.5-173.2178.7-175.90113.9T93 P94 D95 G99 E100 K101T93-K97 HydrophobicContact CG2-CB 3.58Å; P94-K97 PolarHBondContact O-N 3.44Å; D95-K97 PolarHBondContact O-N 3.33Å; K97-G99 VanDerWaalsContact C-N 3.29Å; K97-G99 PolarHBondContact O-N 2.84Å; K97-E100 PolarHBondContact O-N 3.43Å; K97-K101 PolarHBondContact O-N 2.98Å; K97-K101 VanDerWaalsContact O-N 3.11Å
98L94.1Very high95.4Very high4 Ų461.1 Ų61.12%0.02131%0.312CS..Hα-helixtrans-58-41.2-179.6-70.7179.2000112.2Y90 T93 P94 D95 E100 K101 G102 P137 K139Y90-L98 HydrophobicContact CD1-CD2 4.42Å; Y90-L98 HydrophobicContact CD2-CD2 4.21Å; Y90-L98 HydrophobicContact CE1-CD2 4.07Å; Y90-L98 HydrophobicContact CE2-CB 4.13Å; Y90-L98 HydrophobicContact CE2-CD2 3.86Å; Y90-L98 WeakPolarHBondContact CE2-O 3.32Å; Y90-L98 HydrophobicContact CG-CD2 4.46Å; Y90-L98 WeakPolarHBondContact O-CD2 3.42Å; T93-L98 HydrophobicContact CG2-CD2 4.26Å; P94-L98 PolarHBondContact O-N 2.87Å; D95-L98 PolarHBondContact O-N 2.86Å; L98-E100 VanDerWaalsContact C-N 3.31Å; L98-E100 PolarHBondContact O-N 2.74Å; L98-K101 PolarHBondContact O-N 2.87Å; L98-G102 PolarHBondContact O-N 3.15Å; L98-P137 HydrophobicContact CB-CB 4.02Å; L98-P137 HydrophobicContact CB-CG 3.92Å; L98-K139 HydrophobicContact CD1-CD 3.91Å; L98-K139 HydrophobicContact CD2-CD 4.01Å
99G96.3Very high95.6Very high24 Ų2458.9 Ų58.925%0.24729%0.292CS..Hα-helixtrans-60.1-40179.500000113.2K97 K103K97-G99 VanDerWaalsContact C-N 3.29Å; K97-G99 PolarHBondContact O-N 2.84Å; G99-K103 VanDerWaalsContact O-CG 3.25Å; G99-K103 WeakPolarHBondContact O-CG 3.47Å; G99-K103 PolarHBondContact O-N 2.82Å; G99-K103 VanDerWaalsContact O-N 3.17Å
100E96.9Very high95.6Very high142 Ų14254.4 Ų54.466%0.66427%0.272SS*.Hα-helixtrans-70-51178.5-64.1-178.8167.500111.3K97 L98 G102 K103 E104K97-E100 PolarHBondContact O-N 3.43Å; L98-E100 VanDerWaalsContact C-N 3.31Å; L98-E100 PolarHBondContact O-N 2.74Å; E100-G102 VanDerWaalsContact C-N 3.31Å; E100-G102 PolarHBondContact O-N 3.32Å; E100-K103 PolarHBondContact O-N 3.02Å; E100-E104 PolarHBondContact O-N 3.36Å
101K97.7Very high95.6Very high26 Ų2656.9 Ų56.911%0.11329%0.287CS..Hα-helixtrans-62.8-38.5179-17560.7171.6-175.40111.9E89 Y90 T93 K97 L98 E104 I105E89-K101 WeakPolarHBondContact OE2-CE 3.23Å; E89-K101 IonicContact OE2-NZ 3.75Å; E89-K101 PolarHBondContact OE2-NZ 2.9Å; Y90-K101 HydrophobicContact CD2-CB 4.05Å; Y90-K101 HydrophobicContact CD2-CG 3.9Å; Y90-K101 HydrophobicContact CG-CG 4.45Å; T93-K101 HydrophobicContact CG2-CB 4.18Å; K97-K101 PolarHBondContact O-N 2.98Å; K97-K101 VanDerWaalsContact O-N 3.11Å; L98-K101 PolarHBondContact O-N 2.87Å; K101-E104 WeakPolarHBondContact CD-OE2 3.34Å; K101-E104 IonicContact NZ-OE1 3.79Å; K101-E104 IonicContact NZ-OE2 3.49Å; K101-E104 WeakPolarHBondContact O-CB 3.39Å; K101-E104 PolarHBondContact O-N 3.23Å; K101-I105 HydrophobicContact CG-CD1 4.25Å; K101-I105 WeakPolarHBondContact O-CG1 3.13Å; K101-I105 PolarHBondContact O-N 2.81Å
102G97.8Very high95.6Very high0 Ų058.9 Ų58.90%031%0.305CS..Hα-helixtrans-62.8-43.4175.800000112.4L98 E100 E104 I105 M106L98-G102 PolarHBondContact O-N 3.15Å; E100-G102 VanDerWaalsContact C-N 3.31Å; E100-G102 PolarHBondContact O-N 3.32Å; G102-E104 VanDerWaalsContact C-N 3.34Å; G102-E104 PolarHBondContact O-N 3.32Å; G102-I105 PolarHBondContact O-N 3.23Å; G102-M106 WeakPolarHBondContact O-CB 3.37Å; G102-M106 VanDerWaalsContact O-CG 3.3Å; G102-M106 WeakPolarHBondContact O-CG 3.46Å; G102-M106 PolarHBondContact O-N 2.8Å
103K97.6Very high95.7Very high131 Ų13167.3 Ų67.357%0.5734%0.339SS*.Hα-helixtrans-64.5-38.5175.5-74.9173.3-175.7177.70112.3G99 E100 M106 T107 L133G99-K103 VanDerWaalsContact O-CG 3.25Å; G99-K103 WeakPolarHBondContact O-CG 3.47Å; G99-K103 PolarHBondContact O-N 2.82Å; G99-K103 VanDerWaalsContact O-N 3.17Å; E100-K103 PolarHBondContact O-N 3.02Å; K103-M106 PolarHBondContact O-N 3.28Å; K103-T107 WeakPolarHBondContact O-CB 3.23Å; K103-T107 PolarHBondContact O-N 2.91Å; K103-T107 PolarHBondContact O-OG1 3.34Å; K103-L133 HydrophobicContact CG-CD2 4.09Å
104E97.9Very high95.7Very high90 Ų9067.3 Ų67.342%0.42134%0.34SS..Hα-helixtrans-58.2-50.8173.7-172.1-162.1148.100110.7E100 K101 G102 T107 K108E100-E104 PolarHBondContact O-N 3.36Å; K101-E104 WeakPolarHBondContact CD-OE2 3.34Å; K101-E104 IonicContact NZ-OE1 3.79Å; K101-E104 IonicContact NZ-OE2 3.49Å; K101-E104 WeakPolarHBondContact O-CB 3.39Å; K101-E104 PolarHBondContact O-N 3.23Å; G102-E104 VanDerWaalsContact C-N 3.34Å; G102-E104 PolarHBondContact O-N 3.32Å; E104-T107 PolarHBondContact O-N 2.69Å; E104-K108 WeakPolarHBondContact O-CB 3.33Å; E104-K108 PolarHBondContact O-N 2.72Å
105I98.2Very high95.9Very high0 Ų071.8 Ų71.80%037%0.37CS..Hα-helixtrans-62-46.3179.5-68.5170.4000111.4F83 S86 Y90 K101 G102 T107 K108 Y109 F142F83-I105 HydrophobicContact CD2-CG2 4.09Å; F83-I105 HydrophobicContact CE2-CG2 3.68Å; S86-I105 VanDerWaalsContact O-CD1 3.3Å; S86-I105 WeakPolarHBondContact O-CD1 3.44Å; Y90-I105 HydrophobicContact CD2-CD1 4.26Å; Y90-I105 HydrophobicContact CG-CD1 4.25Å; K101-I105 HydrophobicContact CG-CD1 4.25Å; K101-I105 WeakPolarHBondContact O-CG1 3.13Å; K101-I105 PolarHBondContact O-N 2.81Å; G102-I105 PolarHBondContact O-N 3.23Å; I105-T107 VanDerWaalsContact C-N 3.35Å; I105-T107 PolarHBondContact O-N 3.44Å; I105-K108 PolarHBondContact O-N 3.48Å; I105-Y109 HydrophobicContact CG2-CD2 4.13Å; I105-Y109 PolarHBondContact O-N 3.35Å; I105-F142 HydrophobicContact CB-CE1 4.31Å; I105-F142 HydrophobicContact CB-CE2 4.22Å; I105-F142 HydrophobicContact CB-CZ 3.83Å; I105-F142 HydrophobicContact CD1-CD2 4.24Å; I105-F142 HydrophobicContact CD1-CE2 3.89Å; I105-F142 HydrophobicContact CD1-CZ 4.39Å; I105-F142 HydrophobicContact CG2-CD1 4.1Å; I105-F142 HydrophobicContact CG2-CE1 3.63Å; I105-F142 HydrophobicContact CG2-CE2 4.14Å; I105-F142 HydrophobicContact CG2-CZ 3.65Å
106M97.9Very high96.2Very high15 Ų1568.9 Ų68.97%0.07436%0.355CS..Hα-helixtrans-57.8-47.1177.6-75.5-67.5-61.200111.7G102 K103 L110 T111 V126 T129 E130 L133 F142G102-M106 WeakPolarHBondContact O-CB 3.37Å; G102-M106 VanDerWaalsContact O-CG 3.3Å; G102-M106 WeakPolarHBondContact O-CG 3.46Å; G102-M106 PolarHBondContact O-N 2.8Å; K103-M106 PolarHBondContact O-N 3.28Å; M106-L110 CarbonylContact O-C 3.48Å; M106-L110 WeakPolarHBondContact O-CA 3.43Å; M106-L110 PolarHBondContact O-N 2.94Å; M106-L110 VanDerWaalsContact O-N 3.11Å; M106-L110 HydrophobicContact SD-CB 4.29Å; M106-L110 HydrophobicContact SD-CD1 3.53Å; M106-L110 VanDerWaalsContact SD-CD1 3.53Å; M106-L110 HydrophobicContact SD-CG 4.47Å; M106-T111 PolarHBondContact O-N 3.31Å; M106-T111 VanDerWaalsContact O-N 3.16Å; M106-T111 PolarHBondContact O-OG1 3.18Å; M106-V126 HydrophobicContact CE-CG1 3.78Å; M106-T129 HydrophobicContact SD-CG2 4.07Å; M106-E130 HydrophobicContact CE-CB 3.65Å; M106-E130 HydrophobicContact CE-CG 4.08Å; M106-L133 HydrophobicContact CG-CD2 3.71Å; M106-F142 HydrophobicContact CG-CE1 4.29Å; M106-F142 HydrophobicContact CG-CZ 4.27Å; M106-F142 HydrophobicContact SD-CE1 4.08Å
107T97.6Very high96.4Very high92 Ų9264.1 Ų64.156%0.56433%0.332SS*.Hα-helixtrans-68-43-179.3-56.10000111.2K103 E104 I105 T111K103-T107 WeakPolarHBondContact O-CB 3.23Å; K103-T107 PolarHBondContact O-N 2.91Å; K103-T107 PolarHBondContact O-OG1 3.34Å; E104-T107 PolarHBondContact O-N 2.69Å; I105-T107 VanDerWaalsContact C-N 3.35Å; I105-T107 PolarHBondContact O-N 3.44Å; T107-T111 WeakPolarHBondContact O-CB 3.21Å
108K97.5Very high96.5Very high81 Ų8158.5 Ų58.535%0.35231%0.308SS..Hα-helixtrans-75.5-42.6-173.7-171.8174.5178.3-164.80112.7E104 I105 S114 V116E104-K108 WeakPolarHBondContact O-CB 3.33Å; E104-K108 PolarHBondContact O-N 2.72Å; I105-K108 PolarHBondContact O-N 3.48Å; K108-S114 WeakPolarHBondContact O-CB 3.48Å; K108-S114 PolarHBondContact O-OG 2.95Å; K108-V116 HydrophobicContact CG-CG2 3.7Å; K108-V116 VanDerWaalsContact O-CG2 3.25Å; K108-V116 WeakPolarHBondContact O-CG2 3.33Å
109Y97.7Very high96.5Very high4 Ų461.4 Ų61.42%0.01633%0.332CS..Hα-helixtrans-114.6-27.9-170.5-56.4-74.2000114Q82 F83 S86 I105 V116 F117 I118Q82-Y109 HydrophobicContact CB-CE1 4.02Å; Q82-Y109 PolarHBondContact O-OH 2.99Å; F83-Y109 HydrophobicContact CB-CD1 3.98Å; F83-Y109 HydrophobicContact CB-CD2 4.37Å; F83-Y109 HydrophobicContact CB-CE1 4.33Å; F83-Y109 HydrophobicContact CB-CG 3.99Å; F83-Y109 AromaticContact CD2-CD2 3.81Å; F83-Y109 HydrophobicContact CD2-CD2 3.81Å; F83-Y109 AromaticContact CD2-CG 3.77Å; F83-Y109 HydrophobicContact CD2-CG 3.77Å; F83-Y109 HydrophobicContact CG-CG 4.37Å; S86-Y109 VanDerWaalsContact OG-CE2 3.22Å; S86-Y109 WeakPolarHBondContact OG-CE2 3.21Å; S86-Y109 PolarHBondContact OG-OH 3.02Å; I105-Y109 HydrophobicContact CG2-CD2 4.13Å; I105-Y109 PolarHBondContact O-N 3.35Å; Y109-V116 HydrophobicContact CD1-CB 4.43Å; Y109-V116 HydrophobicContact CD1-CG2 3.9Å; Y109-V116 HydrophobicContact CE1-CB 4.49Å; Y109-V116 HydrophobicContact CE1-CG2 3.91Å; Y109-F117 WeakPolarHBondContact O-CA 3.13Å; Y109-F117 VanDerWaalsContact O-CD2 3.3Å; Y109-F117 WeakPolarHBondContact O-CD2 3.46Å; Y109-I118 VanDerWaalsContact O-CG1 3.3Å; Y109-I118 WeakPolarHBondContact O-CG1 3.34Å; Y109-I118 PolarHBondContact O-N 3.06Å
110L97.1Very high96.4Very high6 Ų664.8 Ų64.83%0.03134%0.342CS..SBendtrans-105.72.9-171.2-55.9178.9000113.5F83 M106 I118 V121 V126 F142F83-L110 HydrophobicContact CE2-CD1 4.43Å; F83-L110 HydrophobicContact CE2-CD2 4.31Å; F83-L110 HydrophobicContact CE2-CG 4.43Å; M106-L110 CarbonylContact O-C 3.48Å; M106-L110 WeakPolarHBondContact O-CA 3.43Å; M106-L110 PolarHBondContact O-N 2.94Å; M106-L110 VanDerWaalsContact O-N 3.11Å; M106-L110 HydrophobicContact SD-CB 4.29Å; M106-L110 HydrophobicContact SD-CD1 3.53Å; M106-L110 VanDerWaalsContact SD-CD1 3.53Å; M106-L110 HydrophobicContact SD-CG 4.47Å; L110-I118 HydrophobicContact CD2-CD1 3.88Å; L110-I118 HydrophobicContact CD2-CG1 3.85Å; L110-V121 HydrophobicContact CD2-CB 3.99Å; L110-V121 HydrophobicContact CD2-CG1 4.05Å; L110-V121 HydrophobicContact CD2-CG2 4.07Å; L110-V126 HydrophobicContact CB-CG1 4Å; L110-V126 HydrophobicContact CB-CG2 4.18Å; L110-V126 HydrophobicContact CD2-CG2 4.22Å; L110-F142 HydrophobicContact CD1-CD1 4.38Å; L110-F142 HydrophobicContact CD1-CE1 4.05Å
111T96Very high96.3Very high52 Ų5258.2 Ų58.232%0.31931%0.311SS..SBendtrans-101.7122.9176.5-600000111M106 T107 K113 S114 F117M106-T111 PolarHBondContact O-N 3.31Å; M106-T111 VanDerWaalsContact O-N 3.16Å; M106-T111 PolarHBondContact O-OG1 3.18Å; T107-T111 WeakPolarHBondContact O-CB 3.21Å; T111-K113 HydrophobicContact CG2-CB 4.42Å; T111-K113 PolarHBondContact O-N 3.47Å; T111-S114 VanDerWaalsContact O-CB 3.29Å; T111-S114 WeakPolarHBondContact O-CB 3.4Å; T111-S114 PolarHBondContact O-N 3.34Å; T111-F117 VanDerWaalsContact C-CD2 3.43Å; T111-F117 WeakPolarHBondContact O-CD2 3.48Å
112P94.9Very high96.2Very high99 Ų9958.8 Ų58.864%0.64333%0.325SS*.THydrogen-bonded Turntrans-57.5-22.2-175.6-29.435.7000116.4S114 F117P112-S114 VanDerWaalsContact C-N 3.3Å; P112-F117 HydrophobicContact CB-CE1 4.39Å; P112-F117 HydrophobicContact CB-CZ 4.4Å; P112-F117 HydrophobicContact CG-CE2 4.12Å; P112-F117 HydrophobicContact CG-CZ 4.06Å
113K94.3Very high96.1Very high202 Ų20269.2 Ų69.288%0.87836%0.364SS*.THydrogen-bonded Turntrans-80.7-10.1178.3-64.6-178-179.91770113.4T111T111-K113 HydrophobicContact CG2-CB 4.42Å; T111-K113 PolarHBondContact O-N 3.47Å
114S95.6Very high96Very high23 Ų2368.8 Ų68.816%0.16137%0.368CS..SBendtrans-75140.9-178.9179.50000111.5K108 T111 P112 V116 F117K108-S114 WeakPolarHBondContact O-CB 3.48Å; K108-S114 PolarHBondContact O-OG 2.95Å; T111-S114 VanDerWaalsContact O-CB 3.29Å; T111-S114 WeakPolarHBondContact O-CB 3.4Å; T111-S114 PolarHBondContact O-N 3.34Å; P112-S114 VanDerWaalsContact C-N 3.3Å; S114-V116 PolarHBondContact O-N 3.01Å; S114-V116 PolarHBondContact OG-N 2.61Å; S114-F117 WeakPolarHBondContact O-CB 3.41Å; S114-F117 PolarHBondContact O-N 3.48Å
115P93.3Very high95.9Very high135 Ų13566.5 Ų66.588%0.87736%0.358SS*.THydrogen-bonded Turntrans-64.6-19.3175.227.9-36.7000113.7
116V95.3Very high95.9Very high37 Ų3767.4 Ų67.422%0.22436%0.364CS..THydrogen-bonded Turntrans-114.329.1178.7-620000111.9C79 K108 Y109 S114 I118C79-V116 HydrophobicContact CB-CB 4.09Å; K108-V116 HydrophobicContact CG-CG2 3.7Å; K108-V116 VanDerWaalsContact O-CG2 3.25Å; K108-V116 WeakPolarHBondContact O-CG2 3.33Å; Y109-V116 HydrophobicContact CD1-CB 4.43Å; Y109-V116 HydrophobicContact CD1-CG2 3.9Å; Y109-V116 HydrophobicContact CE1-CB 4.49Å; Y109-V116 HydrophobicContact CE1-CG2 3.91Å; S114-V116 PolarHBondContact O-N 3.01Å; S114-V116 PolarHBondContact OG-N 2.61Å; V116-I118 PolarHBondContact O-N 2.7Å
117F96.5Very high95.8Very high65 Ų6570 Ų7029%0.28538%0.383SS..  trans-60.6130.6176.4172.9-116.4000112Y109 T111 P112 S114 A119Y109-F117 WeakPolarHBondContact O-CA 3.13Å; Y109-F117 VanDerWaalsContact O-CD2 3.3Å; Y109-F117 WeakPolarHBondContact O-CD2 3.46Å; T111-F117 VanDerWaalsContact C-CD2 3.43Å; T111-F117 WeakPolarHBondContact O-CD2 3.48Å; P112-F117 HydrophobicContact CB-CE1 4.39Å; P112-F117 HydrophobicContact CB-CZ 4.4Å; P112-F117 HydrophobicContact CG-CE2 4.12Å; P112-F117 HydrophobicContact CG-CZ 4.06Å; S114-F117 WeakPolarHBondContact O-CB 3.41Å; S114-F117 PolarHBondContact O-N 3.48Å; F117-A119 HydrophobicContact CD1-CB 4.21Å; F117-A119 HydrophobicContact CE1-CB 3.66Å; F117-A119 HydrophobicContact CZ-CB 4.34Å
118I95.9Very high95.7Very high0 Ų070.5 Ų70.50%038%0.379CS..  trans-100.695.1177.952.9170.3000111.3C79 Y80 F83 Y109 L110 V116 Q120 V121 V149C79-I118 HydrophobicContact CB-CG2 4.17Å; Y80-I118 HydrophobicContact CD1-CB 3.98Å; Y80-I118 HydrophobicContact CD1-CG2 3.7Å; Y80-I118 HydrophobicContact CD2-CG2 4.35Å; Y80-I118 HydrophobicContact CE1-CB 3.68Å; Y80-I118 HydrophobicContact CE1-CG2 3.78Å; Y80-I118 HydrophobicContact CE2-CG2 4.4Å; Y80-I118 HydrophobicContact CG-CG2 4.02Å; F83-I118 HydrophobicContact CB-CD1 3.9Å; F83-I118 HydrophobicContact CD1-CD1 3.64Å; F83-I118 HydrophobicContact CD2-CD1 3.71Å; F83-I118 HydrophobicContact CE1-CD1 4.07Å; F83-I118 HydrophobicContact CE2-CD1 4.13Å; F83-I118 HydrophobicContact CG-CD1 3.44Å; F83-I118 VanDerWaalsContact CG-CD1 3.44Å; F83-I118 HydrophobicContact CZ-CD1 4.31Å; Y109-I118 VanDerWaalsContact O-CG1 3.3Å; Y109-I118 WeakPolarHBondContact O-CG1 3.34Å; Y109-I118 PolarHBondContact O-N 3.06Å; L110-I118 HydrophobicContact CD2-CD1 3.88Å; L110-I118 HydrophobicContact CD2-CG1 3.85Å; V116-I118 PolarHBondContact O-N 2.7Å; I118-Q120 PolarHBondContact O-N 3.47Å; I118-V121 HydrophobicContact CD1-CG2 3.57Å; I118-V121 HydrophobicContact CG1-CG2 4.05Å; I118-V121 PolarHBondContact O-N 2.87Å; I118-V149 HydrophobicContact CD1-CG2 3.88Å
119A93.9Very high95.7Very high65 Ų6566.9 Ų66.954%0.53736%0.364SS..THydrogen-bonded Turntrans-66.7-10.9-172.100000115.8F117F117-A119 HydrophobicContact CD1-CB 4.21Å; F117-A119 HydrophobicContact CE1-CB 3.66Å; F117-A119 HydrophobicContact CZ-CB 4.34Å
120Q94.8Very high95.6Very high95 Ų9571.7 Ų71.744%0.44439%0.387SS..THydrogen-bonded Turntrans-84.7-17.6-175.4-58.6-67.4-20.600112.8Y80 I118 G122 S148 Y152Y80-Q120 HydrophobicContact CE1-CB 3.97Å; Y80-Q120 HydrophobicContact CE1-CG 3.87Å; Y80-Q120 VanDerWaalsContact OH-CG 3.25Å; Y80-Q120 WeakPolarHBondContact OH-CG 3.15Å; I118-Q120 PolarHBondContact O-N 3.47Å; Q120-G122 PolarHBondContact O-N 2.87Å; Q120-S148 PolarHBondContact O-OG 3.26Å; Q120-Y152 HydrophobicContact CB-CD1 4.45Å; Q120-Y152 HydrophobicContact CB-CD2 4.32Å; Q120-Y152 HydrophobicContact CB-CG 4.02Å; Q120-Y152 HydrophobicContact CG-CD1 3.95Å; Q120-Y152 HydrophobicContact CG-CD2 3.55Å; Q120-Y152 HydrophobicContact CG-CE1 4.22Å; Q120-Y152 HydrophobicContact CG-CE2 3.85Å; Q120-Y152 HydrophobicContact CG-CG 3.6Å
121V95.6Very high95.6Very high5 Ų577.1 Ų77.13%0.0341%0.412CS..SBendtrans-76.2113.9171.8-175.30000107.9L110 I118 L125 V126 C145 V149L110-V121 HydrophobicContact CD2-CB 3.99Å; L110-V121 HydrophobicContact CD2-CG1 4.05Å; L110-V121 HydrophobicContact CD2-CG2 4.07Å; I118-V121 HydrophobicContact CD1-CG2 3.57Å; I118-V121 HydrophobicContact CG1-CG2 4.05Å; I118-V121 PolarHBondContact O-N 2.87Å; V121-L125 HydrophobicContact CG1-CD2 3.91Å; V121-V126 HydrophobicContact CB-CG2 4.43Å; V121-V126 HydrophobicContact CG1-CG2 3.85Å; V121-C145 HydrophobicContact CG1-CB 4.27Å; V121-V149 HydrophobicContact CG2-CG2 3.76Å
122G95.1Very high95.5Very high38 Ų3880 Ų8039%0.39242%0.42SS..  trans-59142.8-175.100000113Q120 D124 L125 V126Q120-G122 PolarHBondContact O-N 2.87Å; G122-D124 VanDerWaalsContact C-N 3.26Å; G122-D124 PolarHBondContact O-N 2.87Å; G122-L125 WeakPolarHBondContact O-CB 3.47Å; G122-L125 PolarHBondContact O-N 3.31Å; G122-V126 PolarHBondContact O-N 3.24Å
123R95.2Very high95.5Very high218 Ų21876.1 Ų76.182%0.82339%0.394SS*.Hα-helixtrans-56.4-37.2-177.8-75.9-167.9-87.8-147.3-4.2113.5L125 V126 S127R123-L125 VanDerWaalsContact C-N 3.29Å; R123-L125 PolarHBondContact O-N 3.41Å; R123-V126 PolarHBondContact O-N 2.92Å; R123-S127 PolarHBondContact O-N 2.96Å; R123-S127 PolarHBondContact O-OG 2.93Å
124D96.4Very high95.5Very high123 Ų12372.9 Ų72.966%0.65839%0.385SS*.Hα-helixtrans-64.2-38.1178.1-61.2-23.1000111.7G122 S127 Q128G122-D124 VanDerWaalsContact C-N 3.26Å; G122-D124 PolarHBondContact O-N 2.87Å; D124-S127 PolarHBondContact O-N 3.18Å; D124-Q128 VanDerWaalsContact O-CG 3.28Å; D124-Q128 WeakPolarHBondContact O-CG 3.5Å; D124-Q128 PolarHBondContact O-N 3.46Å
125L96.3Very high95.3Very high41 Ų4178.5 Ų78.522%0.21541%0.409CS..Hα-helixtrans-71.3-38.5179-160.3152.4000110.8V121 G122 R123 Q128 T129 A144 C145V121-L125 HydrophobicContact CG1-CD2 3.91Å; G122-L125 WeakPolarHBondContact O-CB 3.47Å; G122-L125 PolarHBondContact O-N 3.31Å; R123-L125 VanDerWaalsContact C-N 3.29Å; R123-L125 PolarHBondContact O-N 3.41Å; L125-Q128 PolarHBondContact O-N 3.13Å; L125-T129 WeakPolarHBondContact O-CB 3.36Å; L125-T129 PolarHBondContact O-N 3.48Å; L125-T129 PolarHBondContact O-OG1 2.96Å; L125-A144 HydrophobicContact CD1-CB 4.04Å; L125-A144 HydrophobicContact CD2-CB 4.21Å; L125-A144 HydrophobicContact CG-CB 4.32Å; L125-C145 HydrophobicContact CD2-CB 3.96Å; L125-C145 WeakPolarHBondContact CD2-SG 3.24Å
126V97.1Very high95Very high20 Ų2080.8 Ų80.812%0.12141%0.405CS..Hα-helixtrans-59.9-48.5171.5177.80000110.9M106 L110 V121 G122 R123 Q128 T129 E130M106-V126 HydrophobicContact CE-CG1 3.78Å; L110-V126 HydrophobicContact CB-CG1 4Å; L110-V126 HydrophobicContact CB-CG2 4.18Å; L110-V126 HydrophobicContact CD2-CG2 4.22Å; V121-V126 HydrophobicContact CB-CG2 4.43Å; V121-V126 HydrophobicContact CG1-CG2 3.85Å; G122-V126 PolarHBondContact O-N 3.24Å; R123-V126 PolarHBondContact O-N 2.92Å; V126-Q128 PolarHBondContact O-N 3.36Å; V126-T129 WeakPolarHBondContact O-CB 3.19Å; V126-T129 PolarHBondContact O-N 3.18Å; V126-T129 VanDerWaalsContact O-N 3.16Å; V126-E130 PolarHBondContact O-N 3.48Å
127S96.3Very high94.8Very high68 Ų6880.6 Ų80.648%0.47640%0.404SS..Hα-helixtrans-60.3-44.4178.6-59.20000112.4R123 D124 T129 E130 E131R123-S127 PolarHBondContact O-N 2.96Å; R123-S127 PolarHBondContact O-OG 2.93Å; D124-S127 PolarHBondContact O-N 3.18Å; S127-T129 VanDerWaalsContact C-N 3.29Å; S127-T129 PolarHBondContact O-N 2.6Å; S127-E130 PolarHBondContact O-N 2.84Å; S127-E131 PolarHBondContact O-N 3.06Å
128Q95.8Very high94.5Very high104 Ų10480.8 Ų80.849%0.48641%0.413SS..Hα-helixtrans-62.6-37.4176-72.6171.538.800112.3D124 L125 V126 K132D124-Q128 VanDerWaalsContact O-CG 3.28Å; D124-Q128 WeakPolarHBondContact O-CG 3.5Å; D124-Q128 PolarHBondContact O-N 3.46Å; L125-Q128 PolarHBondContact O-N 3.13Å; V126-Q128 PolarHBondContact O-N 3.36Å; Q128-K132 VanDerWaalsContact O-CG 3.31Å; Q128-K132 WeakPolarHBondContact O-CG 3.46Å; Q128-K132 PolarHBondContact O-N 2.97Å; Q128-K132 VanDerWaalsContact O-N 3.09Å
129T96.6Very high94.3Very high5 Ų582.1 Ų82.13%0.03142%0.419CS..Hα-helixtrans-69.3-40.9178.1-55.20000110.7M106 L125 V126 S127 K132 L133 L141 F142 C145M106-T129 HydrophobicContact SD-CG2 4.07Å; L125-T129 WeakPolarHBondContact O-CB 3.36Å; L125-T129 PolarHBondContact O-N 3.48Å; L125-T129 PolarHBondContact O-OG1 2.96Å; V126-T129 WeakPolarHBondContact O-CB 3.19Å; V126-T129 PolarHBondContact O-N 3.18Å; V126-T129 VanDerWaalsContact O-N 3.16Å; S127-T129 VanDerWaalsContact C-N 3.29Å; S127-T129 PolarHBondContact O-N 2.6Å; T129-K132 PolarHBondContact O-N 3.32Å; T129-L133 VanDerWaalsContact O-CB 3.31Å; T129-L133 WeakPolarHBondContact O-CB 3.37Å; T129-L133 PolarHBondContact O-N 3.34Å; T129-L141 HydrophobicContact CG2-CD1 4.05Å; T129-L141 HydrophobicContact CG2-CG 3.98Å; T129-F142 HydrophobicContact CG2-CD1 3.73Å; T129-F142 HydrophobicContact CG2-CE1 3.59Å; T129-F142 HydrophobicContact CG2-CZ 4.38Å; T129-C145 PolarHBondContact OG1-SG 3.42Å
130E96.4Very high94.2Very high105 Ų10583.1 Ų83.149%0.49141%0.413SS..Hα-helixtrans-61.2-45.8174.7-168.4169.4-15900111.8M106 V126 S127 K132 L133 L134M106-E130 HydrophobicContact CE-CB 3.65Å; M106-E130 HydrophobicContact CE-CG 4.08Å; V126-E130 PolarHBondContact O-N 3.48Å; S127-E130 PolarHBondContact O-N 2.84Å; E130-K132 PolarHBondContact O-N 2.92Å; E130-L133 WeakPolarHBondContact O-CB 3.24Å; E130-L133 PolarHBondContact O-N 2.89Å; E130-L134 WeakPolarHBondContact O-CG 3.42Å; E130-L134 PolarHBondContact O-N 2.86Å
131E95.5Very high94.3Very high119 Ų11979 Ų7956%0.55639%0.394SS*.Hα-helixtrans-60.7-47.1177.5-173.5-179.2179.700111.7S127 L133 L134 Q135S127-E131 PolarHBondContact O-N 3.06Å; E131-L133 VanDerWaalsContact C-N 3.29Å; E131-L133 PolarHBondContact O-N 2.98Å; E131-L134 PolarHBondContact O-N 2.76Å; E131-Q135 PolarHBondContact O-N 3.04Å
132K95.3Very high94.4Very high112 Ų11278.8 Ų78.849%0.48739%0.392SS..Hα-helixtrans-62.8-36.1176.7-73.4173-178.1175.40112.4Q128 T129 E130 L134 Q135 L141Q128-K132 VanDerWaalsContact O-CG 3.31Å; Q128-K132 WeakPolarHBondContact O-CG 3.46Å; Q128-K132 PolarHBondContact O-N 2.97Å; Q128-K132 VanDerWaalsContact O-N 3.09Å; T129-K132 PolarHBondContact O-N 3.32Å; E130-K132 PolarHBondContact O-N 2.92Å; K132-L134 VanDerWaalsContact C-N 3.35Å; K132-Q135 PolarHBondContact O-N 3.19Å; K132-L141 HydrophobicContact CB-CD1 3.46Å; K132-L141 VanDerWaalsContact CB-CD1 3.46Å; K132-L141 HydrophobicContact CD-CD1 4.44Å
133L95.3Very high94.5Very high18 Ų1879.6 Ų79.69%0.09439%0.392CS..Hα-helixtrans-66.6-35.5177-179.659.5000112.1K103 M106 T129 E130 E131 Q135 P137 L141K103-L133 HydrophobicContact CG-CD2 4.09Å; M106-L133 HydrophobicContact CG-CD2 3.71Å; T129-L133 VanDerWaalsContact O-CB 3.31Å; T129-L133 WeakPolarHBondContact O-CB 3.37Å; T129-L133 PolarHBondContact O-N 3.34Å; E130-L133 WeakPolarHBondContact O-CB 3.24Å; E130-L133 PolarHBondContact O-N 2.89Å; E131-L133 VanDerWaalsContact C-N 3.29Å; E131-L133 PolarHBondContact O-N 2.98Å; L133-Q135 VanDerWaalsContact C-N 3.31Å; L133-P137 HydrophobicContact CD1-CB 4.15Å; L133-L141 HydrophobicContact CB-CD2 3.99Å; L133-L141 HydrophobicContact CD1-CD2 3.72Å; L133-L141 HydrophobicContact CG-CD2 4.34Å
134L93.1Very high94.6Very high135 Ų13571.5 Ų71.571%0.70737%0.372SS*.Hα-helixtrans-71.6-23.9177.7-71.7171.7000113.5E130 E131 K132E130-L134 WeakPolarHBondContact O-CG 3.42Å; E130-L134 PolarHBondContact O-N 2.86Å; E131-L134 PolarHBondContact O-N 2.76Å; K132-L134 VanDerWaalsContact C-N 3.35Å
135Q91.6Very high94.6Very high141 Ų14165.7 Ų65.766%0.65934%0.34SS*.SBendtrans-81.8-103.3177.6-64.9178.514.600111.1E131 K132 L133E131-Q135 PolarHBondContact O-N 3.04Å; K132-Q135 PolarHBondContact O-N 3.19Å; L133-Q135 VanDerWaalsContact C-N 3.31Å
136K87.3Confident94.7Very high183 Ų18364.4 Ų64.480%0.79634%0.336SS*.  trans-128.4105.2175.1-175.7178.5179.9-1790107.8C138K136-C138 PolarHBondContact O-N 3.26Å
137P90.2Very high94.7Very high32 Ų3269 Ų6921%0.20836%0.356CS..  trans-62.2134.4-179.123.1-31.4000110.7Y90 L98 L133 L141Y90-P137 WeakPolarHBondContact OH-CB 3.42Å; L98-P137 HydrophobicContact CB-CB 4.02Å; L98-P137 HydrophobicContact CB-CG 3.92Å; L133-P137 HydrophobicContact CD1-CB 4.15Å; P137-L141 HydrophobicContact CB-CD2 4.44Å
138C91.7Very high94.7Very high70 Ų7066.7 Ų66.747%0.47334%0.34SS..  trans-108.6169.6169.8690000110.2Y90 K136 E140 L141Y90-C138 VanDerWaalsContact CE1-O 3.3Å; Y90-C138 WeakPolarHBondContact CE1-O 3.37Å; Y90-C138 PolarHBondContact OH-O 3.39Å; K136-C138 PolarHBondContact O-N 3.26Å; C138-E140 VanDerWaalsContact C-N 3.26Å; C138-E140 PolarHBondContact O-N 3.41Å; C138-L141 WeakPolarHBondContact O-CB 3.42Å; C138-L141 PolarHBondContact O-N 2.76Å
139K90.2Very high94.8Very high28 Ų2861.8 Ų61.812%0.12232%0.317CS..THydrogen-bonded Turntrans-63.9-32179.6-57.4-56.1-169.4-167.40112.9E91 T93 D95 L98 L141 K454E91-K139 WeakPolarHBondContact O-CD 3.29Å; T93-K139 PolarHBondContact O-NZ 3.25Å; D95-K139 WeakPolarHBondContact OD1-CE 3.43Å; D95-K139 IonicContact OD1-NZ 3.64Å; D95-K139 PolarHBondContact OD1-NZ 3.32Å; L98-K139 HydrophobicContact CD1-CD 3.91Å; L98-K139 HydrophobicContact CD2-CD 4.01Å; K139-L141 PolarHBondContact O-N 2.78Å; K139-K454 HydrophobicContact CB-CG 4.26Å; K139-K454 HydrophobicContact CG-CG 4.04Å
140E93.6Very high94.9Very high86 Ų8664 Ų6440%0.40233%0.327SS..THydrogen-bonded Turntrans-84.89.8-177.6-53.8-55.6146.100113.8C138 F142 S143 K454C138-E140 VanDerWaalsContact C-N 3.26Å; C138-E140 PolarHBondContact O-N 3.41Å; E140-F142 VanDerWaalsContact C-N 3.27Å; E140-F142 PolarHBondContact O-N 2.88Å; E140-F142 VanDerWaalsContact O-N 3.16Å; E140-S143 VanDerWaalsContact O-CB 3.29Å; E140-S143 WeakPolarHBondContact O-CB 3.1Å; E140-S143 PolarHBondContact O-N 3.06Å; E140-K454 WeakPolarHBondContact OE1-CE 3.27Å; E140-K454 IonicContact OE1-NZ 3.06Å; E140-K454 PolarHBondContact OE1-NZ 3.08Å
141L96.3Very high94.9Very high8 Ų864.1 Ų64.14%0.04233%0.328CS..THydrogen-bonded Turntrans-51.3-43.3-172.2177.364.8000113.1Y90 T129 K132 L133 P137 C138 K139Y90-L141 HydrophobicContact CE1-CB 3.84Å; Y90-L141 HydrophobicContact CE2-CD2 4.25Å; Y90-L141 WeakPolarHBondContact OH-CB 3.31Å; Y90-L141 VanDerWaalsContact OH-CD2 3.28Å; Y90-L141 WeakPolarHBondContact OH-CD2 3.28Å; T129-L141 HydrophobicContact CG2-CD1 4.05Å; T129-L141 HydrophobicContact CG2-CG 3.98Å; K132-L141 HydrophobicContact CB-CD1 3.46Å; K132-L141 VanDerWaalsContact CB-CD1 3.46Å; K132-L141 HydrophobicContact CD-CD1 4.44Å; L133-L141 HydrophobicContact CB-CD2 3.99Å; L133-L141 HydrophobicContact CD1-CD2 3.72Å; L133-L141 HydrophobicContact CG-CD2 4.34Å; P137-L141 HydrophobicContact CB-CD2 4.44Å; C138-L141 WeakPolarHBondContact O-CB 3.42Å; C138-L141 PolarHBondContact O-N 2.76Å; K139-L141 PolarHBondContact O-N 2.78Å
142F97.8Very high95Very high1 Ų161.6 Ų61.60%0.00431%0.313CS..THydrogen-bonded Turntrans-97.65.4-176.5-66.2-74.4000114.2V87 Y90 I105 M106 L110 T129 E140 A144 C145 A146V87-F142 HydrophobicContact CB-CB 4.41Å; V87-F142 HydrophobicContact CG1-CB 3.86Å; V87-F142 HydrophobicContact CG2-CB 3.68Å; V87-F142 HydrophobicContact CG2-CG 4.16Å; Y90-F142 AromaticContact CD1-CD2 3.84Å; Y90-F142 HydrophobicContact CD1-CD2 3.84Å; Y90-F142 HydrophobicContact CD1-CE2 4.27Å; Y90-F142 HydrophobicContact CD2-CD2 4.17Å; Y90-F142 AromaticContact CD2-CE2 3.77Å; Y90-F142 HydrophobicContact CD2-CE2 3.77Å; Y90-F142 HydrophobicContact CE1-CD2 4.04Å; Y90-F142 HydrophobicContact CE1-CE2 4.33Å; Y90-F142 HydrophobicContact CE2-CD2 4.34Å; Y90-F142 AromaticContact CE2-CE2 3.82Å; Y90-F142 HydrophobicContact CE2-CE2 3.82Å; Y90-F142 AromaticContact CG-CD2 3.93Å; Y90-F142 HydrophobicContact CG-CD2 3.93Å; Y90-F142 HydrophobicContact CG-CE2 4.01Å; I105-F142 HydrophobicContact CB-CE1 4.31Å; I105-F142 HydrophobicContact CB-CE2 4.22Å; I105-F142 HydrophobicContact CB-CZ 3.83Å; I105-F142 HydrophobicContact CD1-CD2 4.24Å; I105-F142 HydrophobicContact CD1-CE2 3.89Å; I105-F142 HydrophobicContact CD1-CZ 4.39Å; I105-F142 HydrophobicContact CG2-CD1 4.1Å; I105-F142 HydrophobicContact CG2-CE1 3.63Å; I105-F142 HydrophobicContact CG2-CE2 4.14Å; I105-F142 HydrophobicContact CG2-CZ 3.65Å; M106-F142 HydrophobicContact CG-CE1 4.29Å; M106-F142 HydrophobicContact CG-CZ 4.27Å; M106-F142 HydrophobicContact SD-CE1 4.08Å; L110-F142 HydrophobicContact CD1-CD1 4.38Å; L110-F142 HydrophobicContact CD1-CE1 4.05Å; T129-F142 HydrophobicContact CG2-CD1 3.73Å; T129-F142 HydrophobicContact CG2-CE1 3.59Å; T129-F142 HydrophobicContact CG2-CZ 4.38Å; E140-F142 VanDerWaalsContact C-N 3.27Å; E140-F142 PolarHBondContact O-N 2.88Å; E140-F142 VanDerWaalsContact O-N 3.16Å; F142-A144 VanDerWaalsContact C-N 3.31Å; F142-A144 PolarHBondContact O-N 3.42Å; F142-C145 WeakPolarHBondContact O-CA 3.44Å; F142-C145 WeakPolarHBondContact O-CB 3.21Å; F142-C145 PolarHBondContact O-N 2.87Å; F142-A146 PolarHBondContact O-N 3.17Å
143S96.1Very high95.1Very high55 Ų5556.3 Ų56.339%0.38529%0.29SS..Hα-helixtrans-56.7-43.7-175.4-177.20000112.2E140 C145 A146 Q147E140-S143 VanDerWaalsContact O-CB 3.29Å; E140-S143 WeakPolarHBondContact O-CB 3.1Å; E140-S143 PolarHBondContact O-N 3.06Å; S143-C145 PolarHBondContact O-N 3.34Å; S143-A146 PolarHBondContact O-N 2.8Å; S143-Q147 PolarHBondContact O-N 2.88Å
144A97Very high95.3Very high48 Ų4860.9 Ų60.940%0.39731%0.306SS..Hα-helixtrans-66.9-36.5176.200000113L125 F142 Q147 S148L125-A144 HydrophobicContact CD1-CB 4.04Å; L125-A144 HydrophobicContact CD2-CB 4.21Å; L125-A144 HydrophobicContact CG-CB 4.32Å; F142-A144 VanDerWaalsContact C-N 3.31Å; F142-A144 PolarHBondContact O-N 3.42Å; A144-Q147 PolarHBondContact O-N 2.82Å; A144-S148 PolarHBondContact O-N 2.83Å
145C97.8Very high95.5Very high0 Ų055.7 Ų55.70%029%0.285CS..Hα-helixtrans-64.7-45.7174.4-62.60000110.7F83 V121 L125 T129 F142 S143 Q147 S148 V149F83-C145 HydrophobicContact CE1-CB 4.08Å; F83-C145 HydrophobicContact CZ-CB 3.56Å; V121-C145 HydrophobicContact CG1-CB 4.27Å; L125-C145 HydrophobicContact CD2-CB 3.96Å; L125-C145 WeakPolarHBondContact CD2-SG 3.24Å; T129-C145 PolarHBondContact OG1-SG 3.42Å; F142-C145 WeakPolarHBondContact O-CA 3.44Å; F142-C145 WeakPolarHBondContact O-CB 3.21Å; F142-C145 PolarHBondContact O-N 2.87Å; S143-C145 PolarHBondContact O-N 3.34Å; C145-Q147 VanDerWaalsContact C-N 3.34Å; C145-Q147 PolarHBondContact O-N 2.84Å; C145-S148 WeakPolarHBondContact O-CB 3.23Å; C145-S148 PolarHBondContact O-N 2.93Å; C145-V149 WeakPolarHBondContact O-CG2 3.1Å; C145-V149 PolarHBondContact O-N 3.2Å
146A97.4Very high95.7Very high14 Ų1455.4 Ų55.412%0.11628%0.284CS..Hα-helixtrans-60.4-44.6177.800000111L84 V87 F142 S143 S148 V149 H150L84-A146 HydrophobicContact CD2-CB 3.84Å; V87-A146 HydrophobicContact CG1-CB 4.45Å; F142-A146 PolarHBondContact O-N 3.17Å; S143-A146 PolarHBondContact O-N 2.8Å; A146-S148 PolarHBondContact O-N 2.99Å; A146-V149 WeakPolarHBondContact O-CB 3.4Å; A146-V149 PolarHBondContact O-N 3Å; A146-V149 VanDerWaalsContact O-N 3.11Å; A146-H150 PolarHBondContact O-CD2 3.21Å; A146-H150 PolarHBondContact O-N 2.93Å
147Q96.9Very high96.2Very high117 Ų11746.9 Ų46.955%0.54725%0.247SC..Hα-helixtrans-57.9-46.3174.9-175.8178.2-11.800112S143 A144 C145 V149 H150 E151S143-Q147 PolarHBondContact O-N 2.88Å; A144-Q147 PolarHBondContact O-N 2.82Å; C145-Q147 VanDerWaalsContact C-N 3.34Å; C145-Q147 PolarHBondContact O-N 2.84Å; Q147-V149 VanDerWaalsContact C-N 3.27Å; Q147-V149 PolarHBondContact O-N 3.35Å; Q147-H150 PolarHBondContact O-N 3.37Å; Q147-H150 VanDerWaalsContact O-N 3.12Å; Q147-E151 PolarHBondContact NE2-OE1 3.28Å; Q147-E151 WeakPolarHBondContact O-CG 3.23Å; Q147-E151 PolarHBondContact O-N 3.34Å
148S97.6Very high96.6Very high20 Ų2045.8 Ų45.814%0.1424%0.239CC..Hα-helixtrans-58.9-38.1175.5176.70000112.3Q120 A144 C145 A146 E151 Y152Q120-S148 PolarHBondContact O-OG 3.26Å; A144-S148 PolarHBondContact O-N 2.83Å; C145-S148 WeakPolarHBondContact O-CB 3.23Å; C145-S148 PolarHBondContact O-N 2.93Å; A146-S148 PolarHBondContact O-N 2.99Å; S148-E151 PolarHBondContact O-N 3Å; S148-Y152 PolarHBondContact O-N 3.44Å; S148-Y152 VanDerWaalsContact O-N 3.1Å
149V97.8Very high96.9Very high0 Ų047.1 Ų47.10%024%0.238CC..Hα-helixtrans-66.3-42.8174171.10000111.9Y80 F83 L84 I118 V121 C145 A146 Q147 E151 Y152 L153Y80-V149 HydrophobicContact CD1-CG1 3.93Å; Y80-V149 HydrophobicContact CD1-CG2 4.21Å; Y80-V149 HydrophobicContact CG-CG1 4.41Å; F83-V149 HydrophobicContact CD1-CG2 3.76Å; F83-V149 HydrophobicContact CE1-CG2 3.84Å; L84-V149 HydrophobicContact CD1-CG1 3.99Å; L84-V149 HydrophobicContact CD2-CB 4.27Å; L84-V149 HydrophobicContact CD2-CG1 4.1Å; L84-V149 HydrophobicContact CG-CG1 3.97Å; I118-V149 HydrophobicContact CD1-CG2 3.88Å; V121-V149 HydrophobicContact CG2-CG2 3.76Å; C145-V149 WeakPolarHBondContact O-CG2 3.1Å; C145-V149 PolarHBondContact O-N 3.2Å; A146-V149 WeakPolarHBondContact O-CB 3.4Å; A146-V149 PolarHBondContact O-N 3Å; A146-V149 VanDerWaalsContact O-N 3.11Å; Q147-V149 VanDerWaalsContact C-N 3.27Å; Q147-V149 PolarHBondContact O-N 3.35Å; V149-E151 VanDerWaalsContact C-N 3.3Å; V149-E151 PolarHBondContact O-N 3.12Å; V149-Y152 PolarHBondContact O-N 3.15Å; V149-L153 HydrophobicContact CG1-CD1 3.82Å; V149-L153 HydrophobicContact CG1-CG 4.23Å; V149-L153 WeakPolarHBondContact O-CG 3.27Å; V149-L153 PolarHBondContact O-N 3.45Å
150H97.6Very high97.3Very high53 Ų5350 Ų5025%0.24525%0.252CS..Hα-helixtrans-63.5-35.4174.6-78.1-82.3000112.4Y53 A146 Q147 Y152 L153 R154Y53-H150 HydrophobicContact CE1-CB 4.18Å; Y53-H150 AromaticContact CE1-ND1 3.58Å; Y53-H150 AromaticContact CZ-ND1 3.85Å; Y53-H150 PolarHBondContact OH-ND1 2.93Å; A146-H150 PolarHBondContact O-CD2 3.21Å; A146-H150 PolarHBondContact O-N 2.93Å; Q147-H150 PolarHBondContact O-N 3.37Å; Q147-H150 VanDerWaalsContact O-N 3.12Å; H150-Y152 VanDerWaalsContact C-N 3.32Å; H150-L153 PolarHBondContact O-N 2.89Å; H150-R154 WeakPolarHBondContact O-CB 3.47Å; H150-R154 WeakPolarHBondContact O-CG 3.45Å; H150-R154 PolarHBondContact O-N 3.39Å
151E97.4Very high97.5Very high107 Ų10745.9 Ų45.950%0.523%0.233SC..Hα-helixtrans-64.6-34.3174-74.7172.6-17000112.9Q147 S148 V149 R154Q147-E151 PolarHBondContact NE2-OE1 3.28Å; Q147-E151 WeakPolarHBondContact O-CG 3.23Å; Q147-E151 PolarHBondContact O-N 3.34Å; S148-E151 PolarHBondContact O-N 3Å; V149-E151 VanDerWaalsContact C-N 3.3Å; V149-E151 PolarHBondContact O-N 3.12Å; E151-R154 WeakPolarHBondContact O-CG 3.43Å
152Y97.6Very high97.6Very high66 Ų6646 Ų4626%0.25923%0.233SC..Hα-helixtrans-70.6-51170.4168.6-113.6000111.9L77 Y80 Q120 S148 V149 H150 R154 G155 P157L77-Y152 HydrophobicContact CD2-CE1 4.13Å; Y80-Y152 AromaticContact CD1-CD1 3.92Å; Y80-Y152 HydrophobicContact CD1-CD1 3.92Å; Y80-Y152 HydrophobicContact CD1-CE1 4.21Å; Y80-Y152 HydrophobicContact CD2-CD1 4.48Å; Y80-Y152 AromaticContact CD2-CE1 3.99Å; Y80-Y152 HydrophobicContact CD2-CE1 3.99Å; Y80-Y152 AromaticContact CE1-CD1 3.7Å; Y80-Y152 HydrophobicContact CE1-CD1 3.7Å; Y80-Y152 AromaticContact CE1-CE1 3.86Å; Y80-Y152 HydrophobicContact CE1-CE1 3.86Å; Y80-Y152 HydrophobicContact CE2-CD1 4.31Å; Y80-Y152 AromaticContact CE2-CE1 3.64Å; Y80-Y152 HydrophobicContact CE2-CE1 3.64Å; Y80-Y152 HydrophobicContact CG-CD1 4.3Å; Y80-Y152 HydrophobicContact CG-CE1 4.26Å; Y80-Y152 AromaticContact CZ-CD1 3.92Å; Y80-Y152 AromaticContact CZ-CE1 3.57Å; Q120-Y152 HydrophobicContact CB-CD1 4.45Å; Q120-Y152 HydrophobicContact CB-CD2 4.32Å; Q120-Y152 HydrophobicContact CB-CG 4.02Å; Q120-Y152 HydrophobicContact CG-CD1 3.95Å; Q120-Y152 HydrophobicContact CG-CD2 3.55Å; Q120-Y152 HydrophobicContact CG-CE1 4.22Å; Q120-Y152 HydrophobicContact CG-CE2 3.85Å; Q120-Y152 HydrophobicContact CG-CG 3.6Å; S148-Y152 PolarHBondContact O-N 3.44Å; S148-Y152 VanDerWaalsContact O-N 3.1Å; V149-Y152 PolarHBondContact O-N 3.15Å; H150-Y152 VanDerWaalsContact C-N 3.32Å; Y152-R154 PolarHBondContact O-N 2.74Å; Y152-G155 PolarHBondContact O-N 3.37Å; Y152-P157 HydrophobicContact CE1-CG 4.01Å; Y152-P157 HydrophobicContact CE2-CG 4.28Å
153L97.9Very high97.6Very high0 Ų052.7 Ų52.70%027%0.269CS..Hα-helixtrans-63.1-30-175-70.9174.5000112.9Y53 F67 I81 L84 V149 H150 G155 P157 F158Y53-L153 HydrophobicContact CE2-CB 3.99Å; Y53-L153 VanDerWaalsContact OH-CB 3.23Å; Y53-L153 WeakPolarHBondContact OH-CB 3.48Å; F67-L153 HydrophobicContact CE1-CB 4.47Å; F67-L153 HydrophobicContact CE1-CD1 4.46Å; F67-L153 HydrophobicContact CZ-CB 4.36Å; F67-L153 HydrophobicContact CZ-CD2 4.43Å; I81-L153 HydrophobicContact CD1-CD1 4.2Å; L84-L153 HydrophobicContact CD1-CD1 4.01Å; V149-L153 HydrophobicContact CG1-CD1 3.82Å; V149-L153 HydrophobicContact CG1-CG 4.23Å; V149-L153 WeakPolarHBondContact O-CG 3.27Å; V149-L153 PolarHBondContact O-N 3.45Å; H150-L153 PolarHBondContact O-N 2.89Å; L153-G155 PolarHBondContact O-N 2.81Å; L153-P157 HydrophobicContact CD2-CB 4.31Å; L153-P157 HydrophobicContact CD2-CG 4.48Å; L153-F158 VanDerWaalsContact O-CB 3.26Å; L153-F158 WeakPolarHBondContact O-CB 3.45Å; L153-F158 PolarHBondContact O-N 2.84Å; L153-F158 VanDerWaalsContact O-N 3.1Å
154R97.7Very high97.6Very high114 Ų11450.9 Ų50.943%0.4326%0.257SS..THydrogen-bonded Turntrans-73.6-9.4175.777.9-170.3-49.8-179.99114.7Y53 H150 E151 Y152Y53-R154 HydrophobicContact CD1-CB 3.49Å; Y53-R154 VanDerWaalsContact CD1-CB 3.49Å; Y53-R154 HydrophobicContact CD2-CB 3.95Å; Y53-R154 HydrophobicContact CE1-CB 4.06Å; Y53-R154 HydrophobicContact CE2-CB 4.48Å; Y53-R154 HydrophobicContact CG-CB 3.41Å; Y53-R154 VanDerWaalsContact CG-CB 3.41Å; H150-R154 WeakPolarHBondContact O-CB 3.47Å; H150-R154 WeakPolarHBondContact O-CG 3.45Å; H150-R154 PolarHBondContact O-N 3.39Å; E151-R154 WeakPolarHBondContact O-CG 3.43Å; Y152-R154 PolarHBondContact O-N 2.74Å
155G97.4Very high97.6Very high26 Ų2650 Ų5027%0.26825%0.245SC..THydrogen-bonded Turntrans-83.2-130176.600000112.3Y152 L153 P157 F158 H159Y152-G155 PolarHBondContact O-N 3.37Å; L153-G155 PolarHBondContact O-N 2.81Å; G155-P157 VanDerWaalsContact C-CD 3.43Å; G155-F158 PolarHBondContact O-N 2.78Å; G155-H159 PolarHBondContact O-N 2.73Å; G155-H159 PolarHBondContact O-ND1 2.66Å
156E96.9Very high97.6Very high135 Ų13551.6 Ų51.663%0.63125%0.251SS*.Hα-helixtrans-51.6-43.7179.7-66.2-60.2127.400114.3F158 H159 E160E156-F158 VanDerWaalsContact C-N 3.25Å; E156-F158 PolarHBondContact O-N 2.64Å; E156-H159 PolarHBondContact O-N 2.85Å; E156-E160 WeakPolarHBondContact O-CG 3.14Å; E156-E160 PolarHBondContact O-N 3.38Å
157P98.1Very high97.7Very high4 Ų451 Ų513%0.02625%0.246CC..Hα-helixtrans-58-37.1-180-25.836.2000113.4F70 L77 Y152 L153 G155 Y161F70-P157 WeakPolarHBondContact CE1-O 3.38Å; L77-P157 HydrophobicContact CD1-CB 4.03Å; L77-P157 HydrophobicContact CD2-CB 3.87Å; L77-P157 HydrophobicContact CD2-CG 3.73Å; Y152-P157 HydrophobicContact CE1-CG 4.01Å; Y152-P157 HydrophobicContact CE2-CG 4.28Å; L153-P157 HydrophobicContact CD2-CB 4.31Å; L153-P157 HydrophobicContact CD2-CG 4.48Å; G155-P157 VanDerWaalsContact C-CD 3.43Å; P157-Y161 PolarHBondContact O-N 2.63Å
158F98.5Very high97.8Very high9 Ų946.5 Ų46.54%0.03923%0.226CC..Hα-helixtrans-70.1-39.9176.1176.6-124.2000112.3R51 Y53 L56 C57 L153 G155 E156 Y161 L162R51-F158 WeakPolarHBondContact O-CE1 3.36Å; Y53-F158 HydrophobicContact CD2-CB 3.98Å; Y53-F158 AromaticContact CD2-CD2 3.84Å; Y53-F158 HydrophobicContact CD2-CD2 3.84Å; Y53-F158 HydrophobicContact CD2-CE2 4.47Å; Y53-F158 AromaticContact CD2-CG 3.88Å; Y53-F158 HydrophobicContact CD2-CG 3.88Å; L56-F158 HydrophobicContact CB-CE2 4.38Å; L56-F158 HydrophobicContact CD1-CE2 4.25Å; L56-F158 HydrophobicContact CD1-CZ 4.01Å; C57-F158 VanDerWaalsContact SG-CD2 3.51Å; C57-F158 VanDerWaalsContact SG-CE2 3.52Å; L153-F158 VanDerWaalsContact O-CB 3.26Å; L153-F158 WeakPolarHBondContact O-CB 3.45Å; L153-F158 PolarHBondContact O-N 2.84Å; L153-F158 VanDerWaalsContact O-N 3.1Å; G155-F158 PolarHBondContact O-N 2.78Å; E156-F158 VanDerWaalsContact C-N 3.25Å; E156-F158 PolarHBondContact O-N 2.64Å; F158-Y161 HydrophobicContact CD2-CD1 4.01Å; F158-Y161 HydrophobicContact CE2-CD1 4.13Å; F158-Y161 WeakPolarHBondContact O-CB 3.31Å; F158-Y161 PolarHBondContact O-N 3.27Å; F158-L162 HydrophobicContact CD1-CD1 4.27Å; F158-L162 HydrophobicContact CD2-CG 4.35Å; F158-L162 HydrophobicContact CE1-CD1 3.83Å; F158-L162 HydrophobicContact CE1-CG 4.43Å; F158-L162 HydrophobicContact CE2-CD1 4.29Å; F158-L162 HydrophobicContact CE2-CD2 3.85Å; F158-L162 HydrophobicContact CE2-CG 4.01Å; F158-L162 HydrophobicContact CZ-CD1 3.84Å; F158-L162 HydrophobicContact CZ-CD2 3.92Å; F158-L162 HydrophobicContact CZ-CG 4.06Å; F158-L162 WeakPolarHBondContact O-CG 3.48Å; F158-L162 PolarHBondContact O-N 2.83Å
159H98.1Very high97.8Very high98 Ų9845.6 Ų45.645%0.45422%0.219SC..Hα-helixtrans-62.8-44.9175.9-68.287.7000111.5G155 E156 Y161 L162 D163G155-H159 PolarHBondContact O-N 2.73Å; G155-H159 PolarHBondContact O-ND1 2.66Å; E156-H159 PolarHBondContact O-N 2.85Å; H159-Y161 PolarHBondContact O-N 3.15Å; H159-L162 WeakPolarHBondContact O-CB 3.44Å; H159-L162 PolarHBondContact O-N 2.93Å; H159-L162 VanDerWaalsContact O-N 3.13Å; H159-D163 PolarHBondContact O-N 3.39Å
160E98.2Very high97.8Very high89 Ų8945.6 Ų45.642%0.41622%0.219SC..Hα-helixtrans-62.4-32.3175.1-67.7177.8164.800112.3F70 R74 E156 S164F70-E160 VanDerWaalsContact CZ-C 3.44Å; F70-E160 HydrophobicContact CZ-CB 3.8Å; R74-E160 IonicContact CZ-OE2 3.56Å; R74-E160 IonicContact NH1-OE2 2.71Å; R74-E160 PolarHBondContact NH1-OE2 2.94Å; R74-E160 IonicContact NH2-OE2 3.45Å; E156-E160 WeakPolarHBondContact O-CG 3.14Å; E156-E160 PolarHBondContact O-N 3.38Å; E160-S164 PolarHBondContact O-N 3.25Å
161Y98.4Very high97.9Very high0 Ų043.1 Ų43.10%021%0.208CC..Hα-helixtrans-66-45173.6163.3-108.4000111.3L66 F67 F70 P157 F158 H159 D163 S164 F167L66-Y161 HydrophobicContact CB-CE2 4.43Å; F67-Y161 HydrophobicContact CB-CE2 4.33Å; F67-Y161 AromaticContact CD2-CD1 3.89Å; F67-Y161 HydrophobicContact CD2-CD1 3.89Å; F67-Y161 AromaticContact CD2-CD2 3.89Å; F67-Y161 HydrophobicContact CD2-CD2 3.89Å; F67-Y161 HydrophobicContact CD2-CE1 4.43Å; F67-Y161 HydrophobicContact CD2-CE2 4.45Å; F67-Y161 AromaticContact CD2-CG 3.57Å; F67-Y161 HydrophobicContact CD2-CG 3.57Å; F67-Y161 HydrophobicContact CE2-CG 4.15Å; F70-Y161 HydrophobicContact CB-CD2 4.01Å; F70-Y161 HydrophobicContact CD1-CD2 4.2Å; F70-Y161 HydrophobicContact CD1-CG 4.48Å; F70-Y161 HydrophobicContact CD2-CD2 4.39Å; F70-Y161 AromaticContact CG-CD2 3.97Å; F70-Y161 HydrophobicContact CG-CD2 3.97Å; P157-Y161 PolarHBondContact O-N 2.63Å; F158-Y161 HydrophobicContact CD2-CD1 4.01Å; F158-Y161 HydrophobicContact CE2-CD1 4.13Å; F158-Y161 WeakPolarHBondContact O-CB 3.31Å; F158-Y161 PolarHBondContact O-N 3.27Å; H159-Y161 PolarHBondContact O-N 3.15Å; Y161-D163 PolarHBondContact O-N 3.44Å; Y161-S164 VanDerWaalsContact O-CB 3.3Å; Y161-S164 WeakPolarHBondContact O-CB 3.3Å; Y161-S164 PolarHBondContact O-N 2.97Å; Y161-S164 PolarHBondContact O-OG 3.21Å; Y161-F167 HydrophobicContact CD1-CD2 4.43Å; Y161-F167 HydrophobicContact CE1-CB 4.23Å; Y161-F167 AromaticContact CE1-CD2 3.69Å; Y161-F167 HydrophobicContact CE1-CD2 3.69Å; Y161-F167 HydrophobicContact CE1-CG 4.36Å; Y161-F167 HydrophobicContact CE2-CB 4.23Å; Y161-F167 AromaticContact CZ-CD2 3.95Å; Y161-F167 WeakPolarHBondContact O-CB 3.24Å
162L98.3Very high97.9Very high9 Ų938 Ų385%0.04718%0.184CC..Hα-helixtrans-60.7-27179.5-66.9175.9000113R51 L56 F158 H159 F167R51-L162 HydrophobicContact CB-CD1 4.38Å; R51-L162 HydrophobicContact CG-CD1 4.42Å; L56-L162 HydrophobicContact CD1-CD2 4.27Å; F158-L162 HydrophobicContact CD1-CD1 4.27Å; F158-L162 HydrophobicContact CD2-CG 4.35Å; F158-L162 HydrophobicContact CE1-CD1 3.83Å; F158-L162 HydrophobicContact CE1-CG 4.43Å; F158-L162 HydrophobicContact CE2-CD1 4.29Å; F158-L162 HydrophobicContact CE2-CD2 3.85Å; F158-L162 HydrophobicContact CE2-CG 4.01Å; F158-L162 HydrophobicContact CZ-CD1 3.84Å; F158-L162 HydrophobicContact CZ-CD2 3.92Å; F158-L162 HydrophobicContact CZ-CG 4.06Å; F158-L162 WeakPolarHBondContact O-CG 3.48Å; F158-L162 PolarHBondContact O-N 2.83Å; H159-L162 WeakPolarHBondContact O-CB 3.44Å; H159-L162 PolarHBondContact O-N 2.93Å; H159-L162 VanDerWaalsContact O-N 3.13Å; L162-F167 HydrophobicContact CB-CD1 4.49Å; L162-F167 HydrophobicContact CD2-CD1 4.15Å; L162-F167 HydrophobicContact CD2-CD2 3.75Å; L162-F167 HydrophobicContact CD2-CE1 3.94Å; L162-F167 HydrophobicContact CD2-CE2 3.55Å; L162-F167 HydrophobicContact CD2-CG 4.04Å; L162-F167 HydrophobicContact CD2-CZ 3.64Å; L162-F167 WeakPolarHBondContact O-CD1 3.17Å
163D96.9Very high98Very high142 Ų14235 Ų3576%0.75917%0.172SC*.THydrogen-bonded Turntrans-91.50.1176-68.9-28.1000113.7H159 Y161H159-D163 PolarHBondContact O-N 3.39Å; Y161-D163 PolarHBondContact O-N 3.44Å
164S97.1Very high98Very high17 Ų1735.7 Ų35.712%0.11918%0.175CC..SBendtrans-93162.3-176.381.10000113.7E160 Y161 Y166 F167 D168E160-S164 PolarHBondContact O-N 3.25Å; Y161-S164 VanDerWaalsContact O-CB 3.3Å; Y161-S164 WeakPolarHBondContact O-CB 3.3Å; Y161-S164 PolarHBondContact O-N 2.97Å; Y161-S164 PolarHBondContact O-OG 3.21Å; S164-Y166 PolarHBondContact O-N 2.97Å; S164-Y166 VanDerWaalsContact O-N 3.17Å; S164-Y166 PolarHBondContact OG-N 3.49Å; S164-F167 PolarHBondContact O-N 2.96Å; S164-D168 PolarHBondContact O-N 2.89Å
165M96.6Very high98.1Very high31 Ų3133.2 Ų33.215%0.15317%0.166CC..Hα-helixtrans-63-19.7172.672.8173.2-161.700113.7D168 R169 F527 G531 L533M165-D168 WeakPolarHBondContact O-CB 3.27Å; M165-D168 PolarHBondContact O-N 3.3Å; M165-R169 WeakPolarHBondContact O-CB 3.42Å; M165-R169 PolarHBondContact O-N 2.96Å; M165-F527 HydrophobicContact CE-CB 4.22Å; M165-F527 HydrophobicContact CE-CD1 3.44Å; M165-F527 VanDerWaalsContact CE-CD1 3.44Å; M165-F527 HydrophobicContact CE-CD2 4.39Å; M165-F527 HydrophobicContact CE-CE1 3.8Å; M165-F527 HydrophobicContact CE-CG 3.77Å; M165-F527 HydrophobicContact CE-CZ 4.42Å; M165-F527 HydrophobicContact CG-CD1 4.47Å; M165-F527 HydrophobicContact CG-CE1 4.18Å; M165-F527 HydrophobicContact SD-CD1 3.89Å; M165-F527 HydrophobicContact SD-CE1 4.2Å; M165-G531 VanDerWaalsContact CE-O 3.29Å; M165-G531 WeakPolarHBondContact CE-O 3.38Å; M165-L533 HydrophobicContact CB-CD2 3.62Å; M165-L533 HydrophobicContact CG-CD2 4.41Å; M165-L533 HydrophobicContact SD-CD2 3.92Å
166Y98.1Very high98.1Very high32 Ų3232.5 Ų32.513%0.12516%0.156CC..Hα-helixtrans-71-37.6177.1-62.6-85.7000111L66 Q69 F70 T73 S164 R169 F170 F527L66-Y166 HydrophobicContact CD2-CD1 4.44Å; Q69-Y166 HydrophobicContact CB-CD1 3.97Å; Q69-Y166 HydrophobicContact CB-CE1 3.78Å; F70-Y166 HydrophobicContact CB-CD1 4.49Å; F70-Y166 HydrophobicContact CB-CD2 3.71Å; F70-Y166 HydrophobicContact CB-CE2 4.22Å; F70-Y166 HydrophobicContact CB-CG 3.86Å; F70-Y166 AromaticContact CD2-CD2 3.88Å; F70-Y166 HydrophobicContact CD2-CD2 3.88Å; F70-Y166 HydrophobicContact CD2-CE2 4.39Å; F70-Y166 HydrophobicContact CG-CD2 4.32Å; T73-Y166 HydrophobicContact CG2-CE2 4.35Å; T73-Y166 WeakPolarHBondContact CG2-OH 3.49Å; S164-Y166 PolarHBondContact O-N 2.97Å; S164-Y166 VanDerWaalsContact O-N 3.17Å; S164-Y166 PolarHBondContact OG-N 3.49Å; Y166-R169 PolarHBondContact O-N 3.21Å; Y166-F170 PolarHBondContact O-N 3.34Å; Y166-F527 HydrophobicContact CD1-CE2 4.14Å; Y166-F527 AromaticContact CD1-CZ 3.79Å; Y166-F527 HydrophobicContact CD1-CZ 3.79Å; Y166-F527 AromaticContact CE1-CE2 3.95Å; Y166-F527 HydrophobicContact CE1-CE2 3.95Å; Y166-F527 AromaticContact CE1-CZ 3.98Å; Y166-F527 HydrophobicContact CE1-CZ 3.98Å
167F98.4Very high98.2Very high3 Ų326.3 Ų26.31%0.01313%0.127CC..Hα-helixtrans-70.9-36.2172-174.6-113.9000111.7I49 L56 Y161 L162 S164 R169 F170 L171I49-F167 HydrophobicContact CG2-CZ 4.08Å; L56-F167 HydrophobicContact CD1-CE2 4.11Å; Y161-F167 HydrophobicContact CD1-CD2 4.43Å; Y161-F167 HydrophobicContact CE1-CB 4.23Å; Y161-F167 AromaticContact CE1-CD2 3.69Å; Y161-F167 HydrophobicContact CE1-CD2 3.69Å; Y161-F167 HydrophobicContact CE1-CG 4.36Å; Y161-F167 HydrophobicContact CE2-CB 4.23Å; Y161-F167 AromaticContact CZ-CD2 3.95Å; Y161-F167 WeakPolarHBondContact O-CB 3.24Å; L162-F167 HydrophobicContact CB-CD1 4.49Å; L162-F167 HydrophobicContact CD2-CD1 4.15Å; L162-F167 HydrophobicContact CD2-CD2 3.75Å; L162-F167 HydrophobicContact CD2-CE1 3.94Å; L162-F167 HydrophobicContact CD2-CE2 3.55Å; L162-F167 HydrophobicContact CD2-CG 4.04Å; L162-F167 HydrophobicContact CD2-CZ 3.64Å; L162-F167 WeakPolarHBondContact O-CD1 3.17Å; S164-F167 PolarHBondContact O-N 2.96Å; F167-R169 VanDerWaalsContact C-N 3.28Å; F167-R169 PolarHBondContact O-N 3.27Å; F167-F170 HydrophobicContact CD2-CB 4.33Å; F167-F170 AromaticContact CD2-CD1 3.93Å; F167-F170 HydrophobicContact CD2-CD1 3.93Å; F167-F170 HydrophobicContact CD2-CG 4.47Å; F167-F170 AromaticContact CE2-CD1 3.72Å; F167-F170 HydrophobicContact CE2-CD1 3.72Å; F167-F170 HydrophobicContact CE2-CE1 4.23Å; F167-F170 WeakPolarHBondContact O-CA 3.32Å; F167-F170 WeakPolarHBondContact O-CB 3.14Å; F167-F170 PolarHBondContact O-N 3.02Å; F167-F170 VanDerWaalsContact O-N 3.08Å; F167-L171 HydrophobicContact CD1-CD1 4.16Å; F167-L171 HydrophobicContact CD1-CG 4.39Å; F167-L171 HydrophobicContact CE1-CD1 3.92Å; F167-L171 HydrophobicContact CE1-CD2 4.22Å; F167-L171 HydrophobicContact CE1-CG 4.12Å; F167-L171 HydrophobicContact CZ-CD2 4Å; F167-L171 HydrophobicContact CZ-CG 4.28Å; F167-L171 WeakPolarHBondContact O-CG 3.27Å; F167-L171 PolarHBondContact O-N 3.07Å
168D98.3Very high98.1Very high21 Ų2134.2 Ų34.211%0.11216%0.156CC..Hα-helixtrans-58.2-43.2171.5-73.77.8000111.6I39 R46 S164 M165 L171 Q172 L537I39-D168 HydrophobicContact CD1-CB 3.65Å; I39-D168 WeakPolarHBondContact CD1-O 3.37Å; I39-D168 HydrophobicContact CG1-CB 4.2Å; R46-D168 IonicContact CZ-OD1 2.87Å; R46-D168 IonicContact NH1-OD1 2.78Å; R46-D168 PolarHBondContact NH1-OD1 2.77Å; R46-D168 VanDerWaalsContact NH2-CG 3.27Å; R46-D168 IonicContact NH2-OD1 3.98Å; R46-D168 PolarHBondContact NH2-OD1 2.75Å; R46-D168 IonicContact NH2-OD2 2.63Å; S164-D168 PolarHBondContact O-N 2.89Å; M165-D168 WeakPolarHBondContact O-CB 3.27Å; M165-D168 PolarHBondContact O-N 3.3Å; D168-L171 WeakPolarHBondContact O-CB 3.37Å; D168-L171 PolarHBondContact O-N 2.89Å; D168-Q172 PolarHBondContact O-N 3.17Å; D168-Q172 VanDerWaalsContact O-N 3.16Å; D168-L537 HydrophobicContact CB-CD2 3.74Å
169R98.4Very high98.1Very high1 Ų137.3 Ų37.30%0.00417%0.171CC..Hα-helixtrans-64.8-38.8173.3178.151.660.684.9-6.5112.3L66 M165 Y166 F167 L171 Q172 W173 N525 V526 F527 S534 D536L66-R169 HydrophobicContact CD1-CG 4.31Å; L66-R169 HydrophobicContact CD2-CB 4.33Å; L66-R169 HydrophobicContact CD2-CG 3.86Å; M165-R169 WeakPolarHBondContact O-CB 3.42Å; M165-R169 PolarHBondContact O-N 2.96Å; Y166-R169 PolarHBondContact O-N 3.21Å; F167-R169 VanDerWaalsContact C-N 3.28Å; F167-R169 PolarHBondContact O-N 3.27Å; R169-L171 VanDerWaalsContact C-N 3.29Å; R169-L171 PolarHBondContact O-N 2.97Å; R169-Q172 PolarHBondContact O-N 2.96Å; R169-W173 VanDerWaalsContact O-CD1 3.3Å; R169-W173 PolarHBondContact O-N 3.36Å; R169-N525 VanDerWaalsContact CD-OD1 3.31Å; R169-N525 WeakPolarHBondContact CD-OD1 3.48Å; R169-N525 WeakPolarHBondContact CG-OD1 3.15Å; R169-N525 PolarHBondContact NH1-OD1 3.1Å; R169-V526 PolarHBondContact NH1-O 2.97Å; R169-V526 PolarHBondContact NH2-O 3.25Å; R169-F527 HydrophobicContact CB-CE1 3.98Å; R169-F527 HydrophobicContact CB-CZ 3.96Å; R169-F527 HydrophobicContact CG-CE1 4.24Å; R169-F527 HydrophobicContact CG-CZ 3.91Å; R169-S534 PolarHBondContact NH2-OG 3.06Å; R169-D536 IonicContact NH2-OD2 3.6Å; R169-D536 PolarHBondContact NH2-OD2 3.17Å
170F98.7Very high98Very high1 Ų137.8 Ų37.80%0.00418%0.182CC..Hα-helixtrans-59.3-41.4173.1173.6-98.7000111.4I49 L56 I62 L66 Y166 F167 Q172 W173 K174I49-F170 HydrophobicContact CD1-CD1 4.48Å; I49-F170 HydrophobicContact CD1-CE1 3.58Å; I49-F170 HydrophobicContact CD1-CZ 4.37Å; L56-F170 HydrophobicContact CD2-CD1 4.48Å; L56-F170 HydrophobicContact CD2-CE1 3.46Å; L56-F170 VanDerWaalsContact CD2-CE1 3.46Å; L56-F170 HydrophobicContact CD2-CZ 3.55Å; I62-F170 HydrophobicContact CG2-CD2 4.37Å; L66-F170 VanDerWaalsContact CD1-CA 3.49Å; L66-F170 HydrophobicContact CD1-CB 3.61Å; L66-F170 HydrophobicContact CD1-CD2 4.26Å; L66-F170 HydrophobicContact CD1-CG 4.45Å; Y166-F170 PolarHBondContact O-N 3.34Å; F167-F170 HydrophobicContact CD2-CB 4.33Å; F167-F170 AromaticContact CD2-CD1 3.93Å; F167-F170 HydrophobicContact CD2-CD1 3.93Å; F167-F170 HydrophobicContact CD2-CG 4.47Å; F167-F170 AromaticContact CE2-CD1 3.72Å; F167-F170 HydrophobicContact CE2-CD1 3.72Å; F167-F170 HydrophobicContact CE2-CE1 4.23Å; F167-F170 WeakPolarHBondContact O-CA 3.32Å; F167-F170 WeakPolarHBondContact O-CB 3.14Å; F167-F170 PolarHBondContact O-N 3.02Å; F167-F170 VanDerWaalsContact O-N 3.08Å; F170-Q172 VanDerWaalsContact C-N 3.34Å; F170-Q172 PolarHBondContact O-N 3.06Å; F170-W173 WeakPolarHBondContact O-CB 3.43Å; F170-W173 PolarHBondContact O-N 3.24Å; F170-K174 HydrophobicContact CZ-CD 4.36Å; F170-K174 WeakPolarHBondContact O-CB 3.34Å; F170-K174 PolarHBondContact O-N 2.87Å
171L98.6Very high98Very high0 Ų034.6 Ų34.60%017%0.169CC..Hα-helixtrans-64.6-35.4177-65.9172.8000112.8C42 L45 R46 I49 F167 D168 R169 K174 W175C42-L171 HydrophobicContact CB-CB 4.01Å; L45-L171 HydrophobicContact CB-CD2 4.42Å; R46-L171 HydrophobicContact CB-CD1 3.79Å; R46-L171 HydrophobicContact CG-CD1 4Å; R46-L171 VanDerWaalsContact CZ-CD1 3.47Å; I49-L171 HydrophobicContact CD1-CD2 4.28Å; I49-L171 HydrophobicContact CG2-CD2 4.28Å; F167-L171 HydrophobicContact CD1-CD1 4.16Å; F167-L171 HydrophobicContact CD1-CG 4.39Å; F167-L171 HydrophobicContact CE1-CD1 3.92Å; F167-L171 HydrophobicContact CE1-CD2 4.22Å; F167-L171 HydrophobicContact CE1-CG 4.12Å; F167-L171 HydrophobicContact CZ-CD2 4Å; F167-L171 HydrophobicContact CZ-CG 4.28Å; F167-L171 WeakPolarHBondContact O-CG 3.27Å; F167-L171 PolarHBondContact O-N 3.07Å; D168-L171 WeakPolarHBondContact O-CB 3.37Å; D168-L171 PolarHBondContact O-N 2.89Å; R169-L171 VanDerWaalsContact C-N 3.29Å; R169-L171 PolarHBondContact O-N 2.97Å; L171-K174 PolarHBondContact O-N 3.47Å; L171-W175 WeakPolarHBondContact O-CB 3.5Å; L171-W175 PolarHBondContact O-N 3.05Å
172Q98.6Very high97.9Very high0 Ų037.4 Ų37.40%019%0.186CC..Hα-helixtrans-65.3-41.8172.5-67.6175.9-50.100111.9F36 P37 I39 D168 R169 F170 K174 W175 L176 D536 L537F36-Q172 HydrophobicContact CB-CB 4.39Å; F36-Q172 HydrophobicContact CD1-CB 3.64Å; F36-Q172 HydrophobicContact CE1-CB 4.16Å; F36-Q172 HydrophobicContact CG-CB 4.16Å; P37-Q172 HydrophobicContact CG-CB 4.38Å; P37-Q172 HydrophobicContact CG-CG 4.31Å; P37-Q172 PolarHBondContact O-NE2 3.07Å; I39-Q172 HydrophobicContact CD1-CG 4.4Å; D168-Q172 PolarHBondContact O-N 3.17Å; D168-Q172 VanDerWaalsContact O-N 3.16Å; R169-Q172 PolarHBondContact O-N 2.96Å; F170-Q172 VanDerWaalsContact C-N 3.34Å; F170-Q172 PolarHBondContact O-N 3.06Å; Q172-K174 VanDerWaalsContact C-N 3.35Å; Q172-W175 WeakPolarHBondContact O-CB 3.17Å; Q172-W175 PolarHBondContact O-N 2.87Å; Q172-L176 PolarHBondContact O-N 3Å; Q172-L176 VanDerWaalsContact O-N 3.09Å; Q172-D536 PolarHBondContact NE2-O 3.22Å; Q172-D536 PolarHBondContact NE2-OD2 3.25Å; Q172-D536 PolarHBondContact OE1-OD2 3.13Å; Q172-L537 HydrophobicContact CG-CD2 4.46Å; Q172-L537 VanDerWaalsContact OE1-CD2 3.26Å
173W98.7Very high97.7Very high3 Ų343.6 Ų43.61%0.01121%0.213CC..Hα-helixtrans-61.7-43.5172.2-81.7110.7000111.8F36 I62 R169 F170 W175 L176 E177 W511 M515 F521 L524 N525F36-W173 AromaticContact CE1-CD2 3.73Å; F36-W173 HydrophobicContact CE1-CD2 3.73Å; F36-W173 AromaticContact CE1-CE2 3.64Å; F36-W173 HydrophobicContact CE1-CE3 4.23Å; F36-W173 HydrophobicContact CE1-CG 4.01Å; F36-W173 HydrophobicContact CE1-CH2 4.47Å; F36-W173 HydrophobicContact CE1-CZ2 4.03Å; F36-W173 AromaticContact CE1-NE1 3.87Å; F36-W173 HydrophobicContact CZ-CD2 4.02Å; F36-W173 AromaticContact CZ-CE2 3.4Å; F36-W173 VanDerWaalsContact CZ-CE2 3.4Å; F36-W173 HydrophobicContact CZ-CG 4.42Å; F36-W173 HydrophobicContact CZ-CH2 4.28Å; F36-W173 AromaticContact CZ-CZ2 3.55Å; F36-W173 HydrophobicContact CZ-CZ2 3.55Å; F36-W173 AromaticContact CZ-NE1 3.51Å; I62-W173 HydrophobicContact CD1-CD2 3.82Å; I62-W173 HydrophobicContact CD1-CE3 3.72Å; I62-W173 HydrophobicContact CD1-CG 4.19Å; I62-W173 HydrophobicContact CD1-CZ3 4.25Å; I62-W173 HydrophobicContact CG2-CB 4.01Å; I62-W173 HydrophobicContact CG2-CD2 4.41Å; I62-W173 HydrophobicContact CG2-CG 3.82Å; R169-W173 VanDerWaalsContact O-CD1 3.3Å; R169-W173 PolarHBondContact O-N 3.36Å; F170-W173 WeakPolarHBondContact O-CB 3.43Å; F170-W173 PolarHBondContact O-N 3.24Å; W173-W175 VanDerWaalsContact C-N 3.27Å; W173-W175 PolarHBondContact O-N 2.84Å; W173-L176 HydrophobicContact CE3-CD1 4.28Å; W173-L176 HydrophobicContact CZ3-CD1 4.37Å; W173-L176 WeakPolarHBondContact O-CB 3.46Å; W173-L176 PolarHBondContact O-N 2.99Å; W173-E177 PolarHBondContact O-N 3.08Å; W173-W511 AromaticContact CE3-CH2 3.79Å; W173-W511 HydrophobicContact CE3-CH2 3.79Å; W173-W511 HydrophobicContact CE3-CZ3 4.07Å; W173-W511 HydrophobicContact CZ3-CH2 4.2Å; W173-M515 HydrophobicContact CE3-CG 4.47Å; W173-M515 HydrophobicContact CZ3-CB 4.1Å; W173-M515 HydrophobicContact CZ3-CG 3.89Å; W173-M515 HydrophobicContact CZ3-SD 4.29Å; W173-F521 HydrophobicContact CD2-CD2 4.32Å; W173-F521 AromaticContact CE2-CD2 3.54Å; W173-F521 AromaticContact CE2-CE2 3.94Å; W173-F521 HydrophobicContact CH2-CB 4.33Å; W173-F521 HydrophobicContact CH2-CD2 4.27Å; W173-F521 HydrophobicContact CZ2-CB 4.26Å; W173-F521 AromaticContact CZ2-CD2 3.53Å; W173-F521 HydrophobicContact CZ2-CD2 3.53Å; W173-F521 HydrophobicContact CZ2-CE2 4.29Å; W173-F521 HydrophobicContact CZ2-CG 4.27Å; W173-F521 AromaticContact NE1-CD2 3.67Å; W173-F521 AromaticContact NE1-CE2 3.55Å; W173-L524 HydrophobicContact CH2-CB 4.15Å; W173-L524 HydrophobicContact CH2-CD1 4.15Å; W173-L524 HydrophobicContact CZ2-CB 4.14Å; W173-N525 HydrophobicContact CZ2-CB 4.21Å
174K98.4Very high97.7Very high14 Ų1441.8 Ų41.86%0.06120%0.203CC..Hα-helixtrans-63-35.9176.8-16163.1165.71770111.9I49 F170 L171 Q172 E177 R178 S508I49-K174 HydrophobicContact CD1-CG 4.22Å; F170-K174 HydrophobicContact CZ-CD 4.36Å; F170-K174 WeakPolarHBondContact O-CB 3.34Å; F170-K174 PolarHBondContact O-N 2.87Å; L171-K174 PolarHBondContact O-N 3.47Å; Q172-K174 VanDerWaalsContact C-N 3.35Å; K174-E177 WeakPolarHBondContact CD-OE1 3.43Å; K174-E177 VanDerWaalsContact CE-OE1 3.27Å; K174-E177 WeakPolarHBondContact CE-OE1 3.46Å; K174-E177 IonicContact NZ-OE1 3.2Å; K174-E177 PolarHBondContact NZ-OE1 3.35Å; K174-E177 IonicContact NZ-OE2 2.73Å; K174-E177 WeakPolarHBondContact O-CB 3.37Å; K174-E177 PolarHBondContact O-N 3.42Å; K174-R178 WeakPolarHBondContact O-CG 3.19Å; K174-R178 PolarHBondContact O-N 3.35Å; K174-R178 VanDerWaalsContact O-N 3.15Å; K174-S508 PolarHBondContact NZ-OG 3.1Å
175W98.4Very high97.8Very high63 Ų6342.8 Ų42.824%0.23921%0.208CC..Hα-helixtrans-65-41.5174.5-172.497.8000112.3P37 L45 L171 Q172 W173 R178 Q179P37-W175 HydrophobicContact CB-CD2 3.84Å; P37-W175 HydrophobicContact CB-CE3 3.91Å; P37-W175 HydrophobicContact CB-CG 4.31Å; P37-W175 HydrophobicContact CB-CH2 4.43Å; P37-W175 HydrophobicContact CB-CZ2 4.35Å; P37-W175 HydrophobicContact CB-CZ3 4.21Å; P37-W175 HydrophobicContact CG-CB 3.91Å; P37-W175 HydrophobicContact CG-CD2 3.56Å; P37-W175 HydrophobicContact CG-CE3 3.61Å; P37-W175 HydrophobicContact CG-CG 3.7Å; P37-W175 HydrophobicContact CG-CZ3 4.34Å; L45-W175 HydrophobicContact CD1-CB 3.55Å; L45-W175 HydrophobicContact CD1-CG 4.04Å; L171-W175 WeakPolarHBondContact O-CB 3.5Å; L171-W175 PolarHBondContact O-N 3.05Å; Q172-W175 WeakPolarHBondContact O-CB 3.17Å; Q172-W175 PolarHBondContact O-N 2.87Å; W173-W175 VanDerWaalsContact C-N 3.27Å; W173-W175 PolarHBondContact O-N 2.84Å; W175-R178 PolarHBondContact O-N 3.15Å; W175-Q179 VanDerWaalsContact CD2-NE2 3.3Å; W175-Q179 VanDerWaalsContact CE2-NE2 3.26Å; W175-Q179 HydrophobicContact CE3-CG 4.14Å; W175-Q179 VanDerWaalsContact CH2-CD 3.4Å; W175-Q179 HydrophobicContact CH2-CG 4.3Å; W175-Q179 VanDerWaalsContact CH2-NE2 3.34Å; W175-Q179 VanDerWaalsContact CZ2-NE2 3.28Å; W175-Q179 VanDerWaalsContact CZ3-CD 3.42Å; W175-Q179 HydrophobicContact CZ3-CG 3.85Å; W175-Q179 PolarHBondContact O-N 3.49Å; W175-Q179 PolarHBondContact O-NE2 3.49Å
176L98.5Very high97.8Very high11 Ų1141.5 Ų41.56%0.05820%0.202CC..Hα-helixtrans-63.9-42.9174.4-72.1177.7000111.9F36 Q172 W173 R178 Q179 W511F36-L176 HydrophobicContact CD1-CD1 3.54Å; F36-L176 HydrophobicContact CD1-CG 4.29Å; F36-L176 HydrophobicContact CE1-CD1 3.64Å; Q172-L176 PolarHBondContact O-N 3Å; Q172-L176 VanDerWaalsContact O-N 3.09Å; W173-L176 HydrophobicContact CE3-CD1 4.28Å; W173-L176 HydrophobicContact CZ3-CD1 4.37Å; W173-L176 WeakPolarHBondContact O-CB 3.46Å; W173-L176 PolarHBondContact O-N 2.99Å; L176-R178 PolarHBondContact O-N 3.02Å; L176-Q179 WeakPolarHBondContact O-CB 3.26Å; L176-Q179 WeakPolarHBondContact O-CG 3.41Å; L176-Q179 PolarHBondContact O-N 3.34Å; L176-W511 HydrophobicContact CB-CH2 3.85Å; L176-W511 HydrophobicContact CB-CZ2 4.06Å
177E98.3Very high97.8Very high4 Ų443.5 Ų43.52%0.01921%0.209CC..Hα-helixtrans-55.7-40.8176.3-175.1-169.889.100111.8W173 K174 Q179 S506 S508 W511 Q512W173-E177 PolarHBondContact O-N 3.08Å; K174-E177 WeakPolarHBondContact CD-OE1 3.43Å; K174-E177 VanDerWaalsContact CE-OE1 3.27Å; K174-E177 WeakPolarHBondContact CE-OE1 3.46Å; K174-E177 IonicContact NZ-OE1 3.2Å; K174-E177 PolarHBondContact NZ-OE1 3.35Å; K174-E177 IonicContact NZ-OE2 2.73Å; K174-E177 WeakPolarHBondContact O-CB 3.37Å; K174-E177 PolarHBondContact O-N 3.42Å; E177-Q179 VanDerWaalsContact C-N 3.3Å; E177-Q179 PolarHBondContact O-N 3.06Å; E177-S506 WeakPolarHBondContact O-CB 3.39Å; E177-S506 PolarHBondContact O-OG 3.25Å; E177-S508 VanDerWaalsContact CD-OG 3.28Å; E177-S508 PolarHBondContact OE1-OG 3.49Å; E177-S508 VanDerWaalsContact OE2-CA 3.27Å; E177-S508 WeakPolarHBondContact OE2-CA 3.28Å; E177-S508 WeakPolarHBondContact OE2-CB 3.4Å; E177-S508 PolarHBondContact OE2-OG 2.92Å; E177-W511 HydrophobicContact CB-CD2 3.96Å; E177-W511 HydrophobicContact CB-CE3 3.66Å; E177-W511 HydrophobicContact CB-CH2 3.96Å; E177-W511 HydrophobicContact CB-CZ2 4.24Å; E177-W511 HydrophobicContact CB-CZ3 3.67Å; E177-W511 HydrophobicContact CG-CD2 3.84Å; E177-W511 HydrophobicContact CG-CE3 3.71Å; E177-W511 HydrophobicContact CG-CG 4.19Å; E177-W511 HydrophobicContact CG-CZ3 4.25Å; E177-Q512 PolarHBondContact OE2-NE2 2.96Å
178R96.8Very high97.6Very high171 Ų17148.4 Ų48.465%0.64523%0.232SC*.THydrogen-bonded Turntrans-832.2-176.2-65.6-70.1-179.3145.24.8114.4K174 W175 L176K174-R178 WeakPolarHBondContact O-CG 3.19Å; K174-R178 PolarHBondContact O-N 3.35Å; K174-R178 VanDerWaalsContact O-N 3.15Å; W175-R178 PolarHBondContact O-N 3.15Å; L176-R178 PolarHBondContact O-N 3.02Å
179Q97.4Very high97.4Very high74 Ų7449.9 Ų49.935%0.34624%0.237SC..SBendtrans-65.4146.1176.2-66.4-53.2-66.800111.6W175 L176 E177 V181W175-Q179 VanDerWaalsContact CD2-NE2 3.3Å; W175-Q179 VanDerWaalsContact CE2-NE2 3.26Å; W175-Q179 HydrophobicContact CE3-CG 4.14Å; W175-Q179 VanDerWaalsContact CH2-CD 3.4Å; W175-Q179 HydrophobicContact CH2-CG 4.3Å; W175-Q179 VanDerWaalsContact CH2-NE2 3.34Å; W175-Q179 VanDerWaalsContact CZ2-NE2 3.28Å; W175-Q179 VanDerWaalsContact CZ3-CD 3.42Å; W175-Q179 HydrophobicContact CZ3-CG 3.85Å; W175-Q179 PolarHBondContact O-N 3.49Å; W175-Q179 PolarHBondContact O-NE2 3.49Å; L176-Q179 WeakPolarHBondContact O-CB 3.26Å; L176-Q179 WeakPolarHBondContact O-CG 3.41Å; L176-Q179 PolarHBondContact O-N 3.34Å; E177-Q179 VanDerWaalsContact C-N 3.3Å; E177-Q179 PolarHBondContact O-N 3.06Å; Q179-V181 PolarHBondContact O-N 3.48Å
180P96.4Very high97.1Very high107 Ų10750.5 Ų50.570%0.69524%0.239SC*.PPolyproline II helixtrans-57.9131.1-178.2-25.434.2000113.1
181V97.8Very high96.8Very high22 Ų2251.7 Ų51.713%0.13325%0.246CC..PPolyproline II helixtrans-93.5130.5175.6-177.80000109.2Q179 F186 Y251 Y253Q179-V181 PolarHBondContact O-N 3.48Å; V181-F186 HydrophobicContact CG1-CE2 3.66Å; V181-F186 HydrophobicContact CG1-CZ 3.98Å; V181-Y251 HydrophobicContact CG1-CD1 4.1Å; V181-Y251 HydrophobicContact CG2-CD1 3.8Å; V181-Y251 HydrophobicContact CG2-CE1 4.4Å; V181-Y253 HydrophobicContact CG1-CD1 3.94Å; V181-Y253 HydrophobicContact CG1-CG 4.01Å
182T96.2Very high96.4Very high59 Ų5953.4 Ų53.436%0.36226%0.255SS..  trans-137.4173.7177.570.20000110.3N184 T185T182-N184 PolarHBondContact O-N 3.4Å; T182-N184 PolarHBondContact OG1-N 3.2Å; T182-T185 PolarHBondContact N-OG1 2.78Å; T182-T185 VanDerWaalsContact O-CB 3.26Å; T182-T185 WeakPolarHBondContact O-CB 3.44Å; T182-T185 PolarHBondContact O-N 3.4Å; T182-T185 PolarHBondContact O-OG1 2.81Å
183K95.8Very high96Very high140 Ų14054.4 Ų54.461%0.60927%0.266SS*.G310 helixtrans-52.6-24.5170.769.9176.8-176.7177.30113.8T185 F186 T255K183-T185 VanDerWaalsContact C-N 3.29Å; K183-T185 PolarHBondContact O-N 3.28Å; K183-F186 PolarHBondContact O-N 2.91Å; K183-T255 HydrophobicContact CB-CG2 4.36Å
184N96.4Very high95.4Very high104 Ų10457.8 Ų57.856%0.55628%0.281SS*.G310 helixtrans-77.2-15.1-179.7-65.1-31.6000113.1T182 F186 R206T182-N184 PolarHBondContact O-N 3.4Å; T182-N184 PolarHBondContact OG1-N 3.2Å; N184-F186 PolarHBondContact O-N 3.07Å; N184-R206 WeakPolarHBondContact O-CD 3.29Å; N184-R206 PolarHBondContact O-NE 3.44Å; N184-R206 VanDerWaalsContact O-NE 3.15Å
185T98.1Very high94.6Very high38 Ų3858.1 Ų58.123%0.23329%0.288CS..G310 helixtrans-64.9-27.4173.2-54.30000111.1T182 K183 V205 R206T182-T185 PolarHBondContact N-OG1 2.78Å; T182-T185 VanDerWaalsContact O-CB 3.26Å; T182-T185 WeakPolarHBondContact O-CB 3.44Å; T182-T185 PolarHBondContact O-N 3.4Å; T182-T185 PolarHBondContact O-OG1 2.81Å; K183-T185 VanDerWaalsContact C-N 3.29Å; K183-T185 PolarHBondContact O-N 3.28Å; T185-V205 HydrophobicContact CG2-CG1 4.44Å; T185-R206 WeakPolarHBondContact O-CB 3.22Å; T185-R206 WeakPolarHBondContact O-CG 3.29Å; T185-R206 PolarHBondContact O-N 3.45Å
186F98.1Very high93.9Very high4 Ų457.2 Ų57.22%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-114.4158.5-170.3-52-82000113.7V181 K183 N184 C203 Q204 V205 R206 Y251 Y253 V262V181-F186 HydrophobicContact CG1-CE2 3.66Å; V181-F186 HydrophobicContact CG1-CZ 3.98Å; K183-F186 PolarHBondContact O-N 2.91Å; N184-F186 PolarHBondContact O-N 3.07Å; F186-C203 HydrophobicContact CB-CB 4.43Å; F186-Q204 CarbonylContact C-O 3.57Å; F186-Q204 VanDerWaalsContact CA-O 3.26Å; F186-Q204 WeakPolarHBondContact CA-O 3.38Å; F186-V205 HydrophobicContact CD1-CG2 3.87Å; F186-V205 HydrophobicContact CE1-CG2 3.58Å; F186-R206 PolarHBondContact O-NE 3.49Å; F186-R206 PolarHBondContact O-NH2 2.75Å; F186-Y251 AromaticContact CE1-CD2 3.92Å; F186-Y251 HydrophobicContact CE1-CD2 3.92Å; F186-Y251 HydrophobicContact CE1-CE2 4.12Å; F186-Y251 HydrophobicContact CE1-CG 4.33Å; F186-Y251 HydrophobicContact CZ-CD1 4.15Å; F186-Y251 AromaticContact CZ-CD2 3.81Å; F186-Y251 HydrophobicContact CZ-CD2 3.81Å; F186-Y251 HydrophobicContact CZ-CE2 4.31Å; F186-Y251 AromaticContact CZ-CG 3.74Å; F186-Y251 HydrophobicContact CZ-CG 3.74Å; F186-Y253 AromaticContact CD2-CE1 3.9Å; F186-Y253 HydrophobicContact CD2-CE1 3.9Å; F186-Y253 AromaticContact CD2-CZ 3.94Å; F186-Y253 AromaticContact CE2-CD1 3.9Å; F186-Y253 HydrophobicContact CE2-CD1 3.9Å; F186-Y253 AromaticContact CE2-CE1 3.41Å; F186-Y253 HydrophobicContact CE2-CE1 3.41Å; F186-Y253 VanDerWaalsContact CE2-CE1 3.41Å; F186-Y253 AromaticContact CE2-CZ 3.9Å; F186-Y253 HydrophobicContact CZ-CE1 4.16Å; F186-V262 HydrophobicContact CE1-CG1 4.03Å; F186-V262 HydrophobicContact CE1-CG2 4.05Å; F186-V262 HydrophobicContact CE2-CG2 4.26Å; F186-V262 HydrophobicContact CZ-CG1 4.48Å; F186-V262 HydrophobicContact CZ-CG2 3.79Å
187R96.6Very high93.4Very high74 Ų7458 Ų5828%0.27930%0.301SS..EExtended strand (participates in β ladder)trans-105.8136.3156.8-56.3-177.4-175.2108.92.7107.4G25 Y189 C203 Q204 R206G25-R187 PolarHBondContact O-NH1 3.07Å; R187-Y189 HydrophobicContact CB-CE2 4.03Å; R187-C203 CarbonylContact O-C 3.54Å; R187-C203 WeakPolarHBondContact O-CA 3.45Å; R187-C203 WeakPolarHBondContact O-CB 3.31Å; R187-Q204 HydrophobicContact CB-CB 4.47Å; R187-Q204 PolarHBondContact N-O 3.26Å; R187-Q204 PolarHBondContact O-N 3.46Å; R187-R206 HydrophobicContact CG-CG 3.74Å
188Q94.9Very high93Very high106 Ų10658 Ų5850%0.49530%0.302SS..EExtended strand (participates in β ladder)trans-98.6147.3176.6-71.7-176.9-16.800110.6
189Y94.4Very high92.9Very high51 Ų5152.8 Ų52.820%0.229%0.285CS..EExtended strand (participates in β ladder)trans-124.8-159177.7-64.9-95000109.1V11 A15 R187 A202 Q204 M211V11-Y189 HydrophobicContact CG1-CD1 3.8Å; V11-Y189 HydrophobicContact CG1-CE1 3.81Å; A15-Y189 HydrophobicContact CB-CD1 4.24Å; A15-Y189 HydrophobicContact CB-CE1 3.47Å; A15-Y189 VanDerWaalsContact CB-CE1 3.47Å; R187-Y189 HydrophobicContact CB-CE2 4.03Å; Y189-A202 WeakPolarHBondContact CB-O 3.37Å; Y189-A202 PolarHBondContact N-O 3.32Å; Y189-Q204 HydrophobicContact CE2-CB 3.62Å; Y189-Q204 PolarHBondContact OH-OE1 3.06Å; Y189-M211 HydrophobicContact CD2-CE 4.26Å; Y189-M211 HydrophobicContact CE2-CE 4.39Å; Y189-M211 HydrophobicContact CE2-SD 4.35Å
190R91.4Very high92.7Very high14 Ų1451 Ų515%0.05328%0.278CS..EExtended strand (participates in β ladder)trans-64.5155-17769.3162.6-71.9-177.8-1.1113.5A8 N9 L12 L192 C201 A202 C474 K475 V477A8-R190 HydrophobicContact CB-CB 3.93Å; N9-R190 VanDerWaalsContact OD1-CD 3.31Å; N9-R190 WeakPolarHBondContact OD1-CD 3.46Å; N9-R190 PolarHBondContact OD1-NH1 2.62Å; L12-R190 HydrophobicContact CB-CG 4.29Å; L12-R190 HydrophobicContact CD2-CG 3.76Å; R190-L192 HydrophobicContact CG-CD2 4.41Å; R190-C201 WeakPolarHBondContact O-CA 3.23Å; R190-A202 PolarHBondContact O-N 3.21Å; R190-C474 PolarHBondContact NH2-SG 3Å; R190-K475 PolarHBondContact NH2-O 3.08Å; R190-V477 HydrophobicContact CB-CG2 4.34Å
191V92.4Very high92.7Very high26 Ų2646 Ų4616%0.15825%0.246CC..EExtended strand (participates in β ladder)trans-67.9133.9167.4-176.60000108.8G193 E199 V200 C201 I480V191-G193 WeakPolarHBondContact CG1-O 3.29Å; V191-E199 HydrophobicContact CG1-CB 4.14Å; V191-V200 WeakPolarHBondContact CG1-O 3.46Å; V191-C201 HydrophobicContact CG2-CB 4.5Å; V191-I480 HydrophobicContact CB-CD1 4.2Å; V191-I480 HydrophobicContact CG1-CD1 3.82Å; V191-I480 HydrophobicContact CG1-CG2 4.2Å
192L91.1Very high92.6Very high36 Ų3645 Ų4519%0.18824%0.24CC..EExtended strand (participates in β ladder)trans-99.6-33.8178.7-57.5178.5000111.2L12 R190 V200 A202 A213 C474L12-L192 HydrophobicContact CD2-CD2 4.18Å; R190-L192 HydrophobicContact CG-CD2 4.41Å; L192-V200 PolarHBondContact N-O 3.3Å; L192-A202 HydrophobicContact CD1-CB 4.1Å; L192-A202 HydrophobicContact CD2-CB 4.21Å; L192-A202 HydrophobicContact CG-CB 4.27Å; L192-A213 HydrophobicContact CD1-CB 4.44Å; L192-C474 WeakPolarHBondContact O-CB 3.45Å
193G89Confident92.6Very high22 Ų2242.2 Ų42.223%0.22722%0.223CC..EExtended strand (participates in β ladder)trans-172.1-178.9-178.600000113.3V191 V200V191-G193 WeakPolarHBondContact CG1-O 3.29Å; G193-V200 PolarHBondContact N-O 3.17Å; G193-V200 PolarHBondContact O-N 2.96Å
194K86.3Confident92.7Very high74 Ų7435.8 Ų35.832%0.32220%0.195SC..EExtended strand (participates in β ladder)trans-126.4127.8-177.8-176.1-171.4-174.4172.80109.4I480 E481 F483K194-I480 HydrophobicContact CB-CG2 3.98Å; K194-E481 HydrophobicContact CD-CB 4.28Å; K194-E481 WeakPolarHBondContact CD-O 3.5Å; K194-E481 WeakPolarHBondContact CE-O 3.29Å; K194-E481 PolarHBondContact NZ-O 3.33Å; K194-E481 IonicContact NZ-OE2 2.68Å; K194-E481 PolarHBondContact NZ-OE2 3.39Å; K194-F483 HydrophobicContact CD-CE2 3.99Å; K194-F483 HydrophobicContact CD-CZ 4.04Å; K194-F483 HydrophobicContact CG-CD2 4.35Å; K194-F483 HydrophobicContact CG-CE2 3.52Å; K194-F483 HydrophobicContact CG-CZ 3.79Å
195G83.4Confident92.8Very high21 Ų2131 Ų3122%0.21617%0.17CC..EExtended strand (participates in β ladder)trans-108.6-178174.700000112.2F197 G198 F483G195-F197 VanDerWaalsContact C-N 3.33Å; G195-F197 PolarHBondContact O-N 3.05Å; G195-G198 CarbonylContact C-O 3.57Å; G195-G198 PolarHBondContact N-O 3.3Å; G195-G198 VanDerWaalsContact O-O 3.08Å; G195-F483 VanDerWaalsContact O-CZ 3.23Å; G195-F483 WeakPolarHBondContact O-CZ 3.04Å
196G83.1Confident92.8Very high43 Ų4333.9 Ų33.944%0.44318%0.177SC..THydrogen-bonded Turntrans-59.5-37.3-175.400000114.9R225G196-R225 PolarHBondContact O-NH1 2.97Å
197F87.7Confident92.7Very high28 Ų2834.1 Ų34.112%0.12318%0.179CC..THydrogen-bonded Turntrans-108.62.3-174.5-62.1-74000114.8G195 L217 E218 R221 I222 R225 M230G195-F197 VanDerWaalsContact C-N 3.33Å; G195-F197 PolarHBondContact O-N 3.05Å; F197-L217 HydrophobicContact CB-CB 4.17Å; F197-L217 HydrophobicContact CB-CD2 3.91Å; F197-E218 PolarHBondContact O-N 3.39Å; F197-R221 HydrophobicContact CD1-CG 4.41Å; F197-I222 HydrophobicContact CB-CG1 4.35Å; F197-I222 HydrophobicContact CD1-CG1 4.04Å; F197-I222 HydrophobicContact CG-CG1 4.26Å; F197-R225 HydrophobicContact CE1-CB 3.97Å; F197-M230 HydrophobicContact CE2-SD 3.73Å; F197-M230 HydrophobicContact CZ-SD 4.08Å
198G90.6Very high92.8Very high3 Ų330.7 Ų30.73%0.03117%0.166CC..EExtended strand (participates in β ladder)trans161.9-149.1-178.900000111.9G195 R216 F483G195-G198 CarbonylContact C-O 3.57Å; G195-G198 PolarHBondContact N-O 3.3Å; G195-G198 VanDerWaalsContact O-O 3.08Å; G198-R216 CarbonylContact C-O 3.52Å; G198-R216 VanDerWaalsContact CA-O 3.28Å; G198-R216 WeakPolarHBondContact CA-O 3.49Å; G198-F483 WeakPolarHBondContact O-CE2 3.46Å
199E93Very high92.8Very high63 Ų6326 Ų2629%0.29415%0.147SC..EExtended strand (participates in β ladder)trans-116.1160.3-170.865.4-176.8-163.800112.1V191 R216V191-E199 HydrophobicContact CG1-CB 4.14Å; E199-R216 HydrophobicContact CG-CB 4.37Å; E199-R216 PolarHBondContact N-O 3.46Å; E199-R216 PolarHBondContact O-N 2.86Å; E199-R216 IonicContact OE1-CZ 2.74Å; E199-R216 IonicContact OE1-NH1 2.63Å; E199-R216 PolarHBondContact OE1-NH1 3.48Å
200V94.7Very high92.9Very high35 Ų3525.5 Ų25.521%0.21215%0.146CC..EExtended strand (participates in β ladder)trans-113.1123.9170.3-176.50000107.6V191 L192 G193 A213 C214 K215V191-V200 WeakPolarHBondContact CG1-O 3.46Å; L192-V200 PolarHBondContact N-O 3.3Å; G193-V200 PolarHBondContact N-O 3.17Å; G193-V200 PolarHBondContact O-N 2.96Å; V200-A213 HydrophobicContact CG1-CB 3.98Å; V200-C214 WeakPolarHBondContact CA-O 3.47Å; V200-K215 HydrophobicContact CG2-CB 4.18Å; V200-K215 HydrophobicContact CG2-CG 4.02Å
201C95.1Very high93.1Very high3 Ų326 Ų262%0.0215%0.149CC..EExtended strand (participates in β ladder)trans-123.1153.1175.863.90000111.8R190 V191 A213 C214R190-C201 WeakPolarHBondContact O-CA 3.23Å; V191-C201 HydrophobicContact CG2-CB 4.5Å; C201-A213 CarbonylContact O-C 3.46Å; C201-C214 PolarHBondContact N-O 3.16Å; C201-C214 PolarHBondContact O-N 2.9Å
202A96.3Very high93.4Very high0 Ų025 Ų250%014%0.142CC..EExtended strand (participates in β ladder)trans-70.9141.3170.800000109.9L12 Y189 R190 L192 M211 I265L12-A202 HydrophobicContact CD1-CB 3.64Å; Y189-A202 WeakPolarHBondContact CB-O 3.37Å; Y189-A202 PolarHBondContact N-O 3.32Å; R190-A202 PolarHBondContact O-N 3.21Å; L192-A202 HydrophobicContact CD1-CB 4.1Å; L192-A202 HydrophobicContact CD2-CB 4.21Å; L192-A202 HydrophobicContact CG-CB 4.27Å; A202-M211 HydrophobicContact CB-CE 4.29Å; A202-I265 HydrophobicContact CB-CD1 4.13Å
203C97.4Very high93.7Very high1 Ų123.8 Ų23.81%0.00714%0.137CC..EExtended strand (participates in β ladder)trans-139.4162.2174.173.20000111.5F186 R187 M211 Y212 C214F186-C203 HydrophobicContact CB-CB 4.43Å; R187-C203 CarbonylContact O-C 3.54Å; R187-C203 WeakPolarHBondContact O-CA 3.45Å; R187-C203 WeakPolarHBondContact O-CB 3.31Å; C203-M211 WeakPolarHBondContact O-CA 3.49Å; C203-Y212 PolarHBondContact N-O 3Å; C203-Y212 PolarHBondContact O-N 3.24Å; C203-C214 HydrophobicContact CB-CB 4.25Å
204Q97.6Very high94.1Very high5 Ų522.7 Ų22.72%0.02313%0.126CC..EExtended strand (participates in β ladder)trans-131.8132.2177.3-170.7-178.457.600110.5F186 R187 Y189 R206 G209 K210 M211F186-Q204 CarbonylContact C-O 3.57Å; F186-Q204 VanDerWaalsContact CA-O 3.26Å; F186-Q204 WeakPolarHBondContact CA-O 3.38Å; R187-Q204 HydrophobicContact CB-CB 4.47Å; R187-Q204 PolarHBondContact N-O 3.26Å; R187-Q204 PolarHBondContact O-N 3.46Å; Y189-Q204 HydrophobicContact CE2-CB 3.62Å; Y189-Q204 PolarHBondContact OH-OE1 3.06Å; Q204-R206 PolarHBondContact O-N 3.18Å; Q204-G209 VanDerWaalsContact CG-O 3.27Å; Q204-G209 WeakPolarHBondContact CG-O 3.26Å; Q204-G209 PolarHBondContact NE2-O 2.65Å; Q204-K210 CarbonylContact C-O 3.58Å; Q204-K210 VanDerWaalsContact CA-O 3.31Å; Q204-K210 WeakPolarHBondContact CA-O 3.4Å; Q204-M211 HydrophobicContact CB-SD 3.66Å; Q204-M211 HydrophobicContact CG-SD 3.84Å
205V98.2Very high94.6Very high4 Ų420.2 Ų20.22%0.02412%0.115CC..EExtended strand (participates in β ladder)trans-69123.7172.1176.80000109T185 F186 A207 T208 G209 K210 Y212 Y251 E514T185-V205 HydrophobicContact CG2-CG1 4.44Å; F186-V205 HydrophobicContact CD1-CG2 3.87Å; F186-V205 HydrophobicContact CE1-CG2 3.58Å; V205-A207 VanDerWaalsContact C-N 3.31Å; V205-A207 HydrophobicContact CG1-CB 4.42Å; V205-A207 PolarHBondContact O-N 3.09Å; V205-T208 WeakPolarHBondContact CB-OG1 3.23Å; V205-T208 HydrophobicContact CG1-CG2 4.28Å; V205-T208 WeakPolarHBondContact CG1-OG1 3.3Å; V205-G209 WeakPolarHBondContact O-CA 3.46Å; V205-G209 PolarHBondContact O-N 3.19Å; V205-K210 PolarHBondContact N-O 3.38Å; V205-Y212 HydrophobicContact CG2-CD2 3.95Å; V205-Y212 HydrophobicContact CG2-CE2 3.95Å; V205-Y251 HydrophobicContact CG2-CE2 3.9Å; V205-E514 WeakPolarHBondContact CB-OE1 3.4Å; V205-E514 WeakPolarHBondContact CG1-OE1 3.42Å; V205-E514 WeakPolarHBondContact CG2-OE1 3.46Å
206R97.3Very high95.3Very high99 Ų9922.4 Ų22.437%0.37412%0.117SC..THydrogen-bonded Turntrans-64.2-36-173.7-72.7-176.6-171.8-159.6-0.6113.2S27 N184 T185 F186 R187 Q204S27-R206 WeakPolarHBondContact CB-O 3.48Å; S27-R206 PolarHBondContact N-O 2.89Å; N184-R206 WeakPolarHBondContact O-CD 3.29Å; N184-R206 PolarHBondContact O-NE 3.44Å; N184-R206 VanDerWaalsContact O-NE 3.15Å; T185-R206 WeakPolarHBondContact O-CB 3.22Å; T185-R206 WeakPolarHBondContact O-CG 3.29Å; T185-R206 PolarHBondContact O-N 3.45Å; F186-R206 PolarHBondContact O-NE 3.49Å; F186-R206 PolarHBondContact O-NH2 2.75Å; R187-R206 HydrophobicContact CG-CG 3.74Å; Q204-R206 PolarHBondContact O-N 3.18Å
207A97.2Very high95.9Very high8 Ų820.5 Ų20.57%0.06610%0.097CC..THydrogen-bonded Turntrans-72.3-47.9-17600000111.3K26 W30 I33 L34 V205K26-A207 WeakPolarHBondContact CG-O 3.17Å; W30-A207 WeakPolarHBondContact CB-O 3.46Å; I33-A207 HydrophobicContact CB-CB 4.42Å; I33-A207 HydrophobicContact CG2-CB 3.96Å; L34-A207 HydrophobicContact CD1-CB 3.96Å; L34-A207 HydrophobicContact CD2-CB 4.23Å; L34-A207 HydrophobicContact CG-CB 3.93Å; V205-A207 VanDerWaalsContact C-N 3.31Å; V205-A207 HydrophobicContact CG1-CB 4.42Å; V205-A207 PolarHBondContact O-N 3.09Å
208T97.1Very high96.3Very high2 Ų222.2 Ų22.21%0.01211%0.105CC..THydrogen-bonded Turntrans-97.4-24-169.763.80000113.7K26 L34 V205 K210 E514 M515K26-T208 VanDerWaalsContact CG-O 3.23Å; K26-T208 WeakPolarHBondContact CG-O 3.44Å; L34-T208 HydrophobicContact CD1-CG2 4.37Å; V205-T208 WeakPolarHBondContact CB-OG1 3.23Å; V205-T208 HydrophobicContact CG1-CG2 4.28Å; V205-T208 WeakPolarHBondContact CG1-OG1 3.3Å; T208-K210 VanDerWaalsContact C-N 3.28Å; T208-K210 PolarHBondContact OG1-N 3.04Å; T208-E514 VanDerWaalsContact CB-OE1 3.27Å; T208-E514 WeakPolarHBondContact CB-OE1 3.33Å; T208-E514 HydrophobicContact CG2-CG 4Å; T208-E514 WeakPolarHBondContact CG2-OE1 3.31Å; T208-E514 PolarHBondContact OG1-OE1 3.44Å; T208-M515 HydrophobicContact CG2-CE 3.5Å; T208-M515 VanDerWaalsContact CG2-CE 3.5Å; T208-M515 HydrophobicContact CG2-SD 3.81Å
209G95.6Very high96.6Very high9 Ų922.6 Ų22.69%0.09311%0.106CC..  trans81.10.1-172.700000114.3Q204 V205Q204-G209 VanDerWaalsContact CG-O 3.27Å; Q204-G209 WeakPolarHBondContact CG-O 3.26Å; Q204-G209 PolarHBondContact NE2-O 2.65Å; V205-G209 WeakPolarHBondContact O-CA 3.46Å; V205-G209 PolarHBondContact O-N 3.19Å
210K96.1Very high96.7Very high39 Ų3924 Ų2417%0.1711%0.111CC..  trans-67.3134.9-179.2-168.3163.3175.6172.90111.5Q204 V205 T208 Y212 E514 E517 T518Q204-K210 CarbonylContact C-O 3.58Å; Q204-K210 VanDerWaalsContact CA-O 3.31Å; Q204-K210 WeakPolarHBondContact CA-O 3.4Å; V205-K210 PolarHBondContact N-O 3.38Å; T208-K210 VanDerWaalsContact C-N 3.28Å; T208-K210 PolarHBondContact OG1-N 3.04Å; K210-Y212 HydrophobicContact CB-CD2 4.45Å; K210-Y212 HydrophobicContact CB-CE2 3.89Å; K210-Y212 HydrophobicContact CD-CE2 3.79Å; K210-Y212 WeakPolarHBondContact CD-OH 3.26Å; K210-Y212 VanDerWaalsContact CE-OH 3.29Å; K210-Y212 WeakPolarHBondContact CE-OH 3.39Å; K210-Y212 HydrophobicContact CG-CD2 4.22Å; K210-Y212 HydrophobicContact CG-CE2 3.6Å; K210-E514 HydrophobicContact CB-CG 3.92Å; K210-E514 HydrophobicContact CD-CB 3.65Å; K210-E514 HydrophobicContact CD-CG 3.53Å; K210-E514 HydrophobicContact CG-CG 4.34Å; K210-E517 VanDerWaalsContact CE-OE2 3.26Å; K210-E517 WeakPolarHBondContact CE-OE2 3.12Å; K210-E517 IonicContact NZ-OE1 2.85Å; K210-E517 PolarHBondContact NZ-OE1 3Å; K210-E517 VanDerWaalsContact NZ-OE1 3.08Å; K210-E517 IonicContact NZ-OE2 3.77Å; K210-E517 PolarHBondContact NZ-OE2 3.41Å; K210-T518 HydrophobicContact CB-CG2 3.87Å; K210-T518 HydrophobicContact CD-CG2 4.47Å
211M96.3Very high96.7Very high24 Ų2423 Ų2312%0.11810%0.104CC..EExtended strand (participates in β ladder)trans-86.8142.8177.1-68-64.9-63.800110.6L12 A15 Y189 A202 C203 Q204 I265L12-M211 HydrophobicContact CD1-CE 3.81Å; A15-M211 HydrophobicContact CB-CE 4.27Å; A15-M211 HydrophobicContact CB-SD 4Å; Y189-M211 HydrophobicContact CD2-CE 4.26Å; Y189-M211 HydrophobicContact CE2-CE 4.39Å; Y189-M211 HydrophobicContact CE2-SD 4.35Å; A202-M211 HydrophobicContact CB-CE 4.29Å; C203-M211 WeakPolarHBondContact O-CA 3.49Å; Q204-M211 HydrophobicContact CB-SD 3.66Å; Q204-M211 HydrophobicContact CG-SD 3.84Å; M211-I265 HydrophobicContact CB-CD1 4.37Å; M211-I265 HydrophobicContact CB-CG2 4.08Å; M211-I265 HydrophobicContact CE-CD1 4.28Å
212Y98Very high96.7Very high6 Ų623 Ų232%0.02410%0.103CC..EExtended strand (participates in β ladder)trans-144.9165.7178.5-74.9-79000110.8C203 V205 K210 A250 Y251 V262 L263 E514C203-Y212 PolarHBondContact N-O 3Å; C203-Y212 PolarHBondContact O-N 3.24Å; V205-Y212 HydrophobicContact CG2-CD2 3.95Å; V205-Y212 HydrophobicContact CG2-CE2 3.95Å; K210-Y212 HydrophobicContact CB-CD2 4.45Å; K210-Y212 HydrophobicContact CB-CE2 3.89Å; K210-Y212 HydrophobicContact CD-CE2 3.79Å; K210-Y212 WeakPolarHBondContact CD-OH 3.26Å; K210-Y212 VanDerWaalsContact CE-OH 3.29Å; K210-Y212 WeakPolarHBondContact CE-OH 3.39Å; K210-Y212 HydrophobicContact CG-CD2 4.22Å; K210-Y212 HydrophobicContact CG-CE2 3.6Å; Y212-A250 HydrophobicContact CD1-CB 4.24Å; Y212-A250 HydrophobicContact CE1-CB 3.51Å; Y212-Y251 HydrophobicContact CE2-CE2 4.15Å; Y212-V262 HydrophobicContact CD1-CG1 4.02Å; Y212-V262 HydrophobicContact CD2-CG1 4.07Å; Y212-V262 HydrophobicContact CG-CG1 3.57Å; Y212-L263 VanDerWaalsContact CD1-O 3.3Å; Y212-L263 WeakPolarHBondContact CD1-O 3.46Å; Y212-E514 VanDerWaalsContact CE2-OE2 3.3Å; Y212-E514 WeakPolarHBondContact CE2-OE2 3.4Å; Y212-E514 PolarHBondContact OH-OE2 3.48Å; Y212-E514 VanDerWaalsContact OH-OE2 3.07Å
213A97.6Very high96.6Very high10 Ų1025.1 Ų25.18%0.08311%0.113CC..EExtended strand (participates in β ladder)trans-97.4135.8164.900000109.4L192 V200 C201 V262 L263L192-A213 HydrophobicContact CD1-CB 4.44Å; V200-A213 HydrophobicContact CG1-CB 3.98Å; C201-A213 CarbonylContact O-C 3.46Å; A213-V262 CarbonylContact O-C 3.45Å; A213-V262 WeakPolarHBondContact O-CA 3.46Å; A213-L263 PolarHBondContact N-O 3.09Å; A213-L263 PolarHBondContact O-N 3.24Å
214C97.9Very high96.5Very high0 Ų031.9 Ų31.90%014%0.142CC..EExtended strand (participates in β ladder)trans-111.7103.9176.9-176.70000109.3V200 C201 C203 R216 L261V200-C214 WeakPolarHBondContact CA-O 3.47Å; C201-C214 PolarHBondContact N-O 3.16Å; C201-C214 PolarHBondContact O-N 2.9Å; C203-C214 HydrophobicContact CB-CB 4.25Å; C214-R216 PolarHBondContact O-N 3.17Å; C214-L261 CarbonylContact C-O 3.51Å; C214-L261 WeakPolarHBondContact CA-O 3.39Å
215K97.3Very high96.3Very high21 Ų2138 Ų389%0.09117%0.165CC..EExtended strand (participates in β ladder)trans-79.6107171.7-170.2-177.9-164.8-1730108V200 L217 E234 C260 L261 L263 D329V200-K215 HydrophobicContact CG2-CB 4.18Å; V200-K215 HydrophobicContact CG2-CG 4.02Å; K215-L217 HydrophobicContact CD-CD2 4.24Å; K215-L217 HydrophobicContact CG-CD2 3.99Å; K215-E234 IonicContact NZ-OE1 2.91Å; K215-E234 PolarHBondContact NZ-OE1 3.3Å; K215-E234 IonicContact NZ-OE2 3.27Å; K215-E234 PolarHBondContact NZ-OE2 3.49Å; K215-C260 WeakPolarHBondContact O-CA 3.44Å; K215-L261 HydrophobicContact CB-CB 4.32Å; K215-L261 PolarHBondContact N-O 3.15Å; K215-L261 PolarHBondContact O-N 2.95Å; K215-L263 HydrophobicContact CB-CD1 4.22Å; K215-L263 HydrophobicContact CD-CD1 4.47Å; K215-D329 IonicContact NZ-OD1 3.51Å; K215-D329 PolarHBondContact NZ-OD1 2.57Å
216R96.6Very high96.1Very high67 Ų6746.5 Ų46.525%0.25320%0.201SC..EExtended strand (participates in β ladder)trans-97.7113.4-177.9-61.4177.165.9-149.9-0.7109.4G198 E199 C214 L259G198-R216 CarbonylContact C-O 3.52Å; G198-R216 VanDerWaalsContact CA-O 3.28Å; G198-R216 WeakPolarHBondContact CA-O 3.49Å; E199-R216 HydrophobicContact CG-CB 4.37Å; E199-R216 PolarHBondContact N-O 3.46Å; E199-R216 PolarHBondContact O-N 2.86Å; E199-R216 IonicContact OE1-CZ 2.74Å; E199-R216 IonicContact OE1-NH1 2.63Å; E199-R216 PolarHBondContact OE1-NH1 3.48Å; C214-R216 PolarHBondContact O-N 3.17Å; R216-L259 CarbonylContact C-O 3.42Å
217L96.4Very high96Very high3 Ų342 Ų422%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-100113.6179.3-45.7172.3000109.1F197 K215 K219 I222 A231 A258 L259 F502F197-L217 HydrophobicContact CB-CB 4.17Å; F197-L217 HydrophobicContact CB-CD2 3.91Å; K215-L217 HydrophobicContact CD-CD2 4.24Å; K215-L217 HydrophobicContact CG-CD2 3.99Å; L217-K219 PolarHBondContact O-N 3.21Å; L217-I222 HydrophobicContact CB-CD1 3.65Å; L217-I222 HydrophobicContact CB-CG1 4.34Å; L217-A231 HydrophobicContact CD1-CB 4Å; L217-A258 CarbonylContact O-C 3.58Å; L217-A258 WeakPolarHBondContact O-CA 3.49Å; L217-A258 WeakPolarHBondContact O-CB 3.36Å; L217-L259 HydrophobicContact CB-CB 4.39Å; L217-L259 PolarHBondContact N-O 2.79Å; L217-L259 PolarHBondContact O-N 3.04Å; L217-F502 HydrophobicContact CD1-CE2 4.34Å; L217-F502 HydrophobicContact CD1-CZ 4.22Å
218E96.1Very high95.8Very high64 Ų6444 Ų4430%0.29919%0.193SC..EExtended strand (participates in β ladder)trans-66120.4-178.5-70.8171.7-159.900111.1F197 K220 R221 I222F197-E218 PolarHBondContact O-N 3.39Å; E218-K220 VanDerWaalsContact C-N 3.33Å; E218-K220 PolarHBondContact O-N 2.6Å; E218-R221 HydrophobicContact CB-CB 3.77Å; E218-R221 WeakPolarHBondContact O-CB 3.17Å; E218-R221 PolarHBondContact O-N 3.47Å; E218-R221 IonicContact OE2-CZ 3.93Å; E218-R221 IonicContact OE2-NE 3.43Å; E218-R221 PolarHBondContact OE2-NE 2.93Å; E218-R221 IonicContact OE2-NH2 3.19Å; E218-R221 PolarHBondContact OE2-NH2 2.92Å; E218-I222 PolarHBondContact O-N 3.23Å
219K96.2Very high95.6Very high12 Ų1248.5 Ų48.55%0.05223%0.225CC..Hα-helixtrans-54.8-46.4-176.6-75.8-178.1169.3-167.40112.6L217 R221 I222 K223 E254 T255 D257 L259 L491 Y499L217-K219 PolarHBondContact O-N 3.21Å; K219-R221 VanDerWaalsContact C-N 3.28Å; K219-R221 PolarHBondContact O-N 3.38Å; K219-I222 PolarHBondContact O-N 2.6Å; K219-K223 PolarHBondContact O-N 3.15Å; K219-E254 IonicContact NZ-OE2 2.61Å; K219-E254 PolarHBondContact NZ-OE2 3.39Å; K219-T255 PolarHBondContact NZ-O 3.39Å; K219-D257 PolarHBondContact N-O 3.25Å; K219-L259 HydrophobicContact CG-CG 4.34Å; K219-L491 HydrophobicContact CB-CD1 3.86Å; K219-L491 HydrophobicContact CB-CD2 4.38Å; K219-L491 HydrophobicContact CD-CD1 4.01Å; K219-Y499 HydrophobicContact CB-CE1 4.44Å; K219-Y499 HydrophobicContact CD-CD1 4.47Å; K219-Y499 HydrophobicContact CD-CD2 4.28Å; K219-Y499 HydrophobicContact CD-CE1 3.97Å; K219-Y499 HydrophobicContact CD-CE2 3.73Å; K219-Y499 HydrophobicContact CG-CE1 3.86Å; K219-Y499 HydrophobicContact CG-CE2 4.46Å; K219-Y499 VanDerWaalsContact NZ-CD2 3.27Å
220K95.3Very high95.5Very high92 Ų9251.8 Ų51.840%0.424%0.239SC..Hα-helixtrans-63.6-32.4177.8-66.6-175178.5-177.70113E218 K224 V486 V489 L491E218-K220 VanDerWaalsContact C-N 3.33Å; E218-K220 PolarHBondContact O-N 2.6Å; K220-K224 VanDerWaalsContact O-CB 3.31Å; K220-K224 WeakPolarHBondContact O-CB 3.14Å; K220-K224 PolarHBondContact O-N 3.07Å; K220-V486 HydrophobicContact CB-CB 4.01Å; K220-V486 HydrophobicContact CB-CG1 4.04Å; K220-V489 HydrophobicContact CB-CB 4.42Å; K220-V489 HydrophobicContact CB-CG1 4.29Å; K220-V489 HydrophobicContact CG-CG1 4.44Å; K220-L491 HydrophobicContact CG-CD2 4.35Å
221R94.9Very high95.4Very high14 Ų1450 Ų505%0.05323%0.232CC..Hα-helixtrans-76.6-39179.7-169.9176.4-62-77.6-18.7111.5F197 E218 K219 R225 F483 S484 V486F197-R221 HydrophobicContact CD1-CG 4.41Å; E218-R221 HydrophobicContact CB-CB 3.77Å; E218-R221 WeakPolarHBondContact O-CB 3.17Å; E218-R221 PolarHBondContact O-N 3.47Å; E218-R221 IonicContact OE2-CZ 3.93Å; E218-R221 IonicContact OE2-NE 3.43Å; E218-R221 PolarHBondContact OE2-NE 2.93Å; E218-R221 IonicContact OE2-NH2 3.19Å; E218-R221 PolarHBondContact OE2-NH2 2.92Å; K219-R221 VanDerWaalsContact C-N 3.28Å; K219-R221 PolarHBondContact O-N 3.38Å; R221-R225 WeakPolarHBondContact O-CB 3.22Å; R221-R225 PolarHBondContact O-N 2.51Å; R221-F483 VanDerWaalsContact NH2-CB 3.34Å; R221-S484 PolarHBondContact NH2-O 2.94Å; R221-V486 HydrophobicContact CB-CG2 4.26Å
222I95.3Very high95.4Very high2 Ų250.4 Ų50.41%0.0123%0.234CC..Hα-helixtrans-55.7-56.1170.7-68.1163.2000109.1F197 L217 E218 K219 K224 R225 K226 G227 E228 L259 F498F197-I222 HydrophobicContact CB-CG1 4.35Å; F197-I222 HydrophobicContact CD1-CG1 4.04Å; F197-I222 HydrophobicContact CG-CG1 4.26Å; L217-I222 HydrophobicContact CB-CD1 3.65Å; L217-I222 HydrophobicContact CB-CG1 4.34Å; E218-I222 PolarHBondContact O-N 3.23Å; K219-I222 PolarHBondContact O-N 2.6Å; I222-K224 PolarHBondContact O-N 3.18Å; I222-R225 CarbonylContact O-C 3.57Å; I222-R225 PolarHBondContact O-N 3.35Å; I222-K226 PolarHBondContact O-N 3.43Å; I222-G227 PolarHBondContact O-N 2.98Å; I222-E228 HydrophobicContact CG2-CB 4.47Å; I222-E228 HydrophobicContact CG2-CG 3.91Å; I222-L259 HydrophobicContact CD1-CD1 3.94Å; I222-L259 HydrophobicContact CD1-CG 4.43Å; I222-F498 HydrophobicContact CG2-CE1 4.14Å; I222-F498 HydrophobicContact CG2-CZ 4.39Å
223K95Very high95.2Very high46 Ų4651.9 Ų51.920%0.224%0.243CC..Hα-helixtrans-58-46.4-179.1-171.8169.4-167.4167.30112.8K219 R225 K226 E228 V489 N490 L491 D492 D495K219-K223 PolarHBondContact O-N 3.15Å; K223-R225 PolarHBondContact O-N 3.25Å; K223-K226 PolarHBondContact O-N 2.95Å; K223-E228 WeakPolarHBondContact CA-OE1 3.23Å; K223-V489 HydrophobicContact CB-CG1 4.09Å; K223-V489 HydrophobicContact CD-CG1 3.91Å; K223-V489 HydrophobicContact CG-CG1 4.09Å; K223-N490 WeakPolarHBondContact CE-O 3.37Å; K223-N490 PolarHBondContact NZ-O 3.26Å; K223-L491 HydrophobicContact CD-CD2 4.01Å; K223-D492 IonicContact NZ-OD1 2.78Å; K223-D492 IonicContact NZ-OD2 3.53Å; K223-D492 PolarHBondContact NZ-OD2 3.05Å; K223-D495 WeakPolarHBondContact CD-OD1 3.12Å; K223-D495 WeakPolarHBondContact CE-OD1 3.36Å; K223-D495 IonicContact NZ-OD1 2.7Å; K223-D495 PolarHBondContact NZ-OD1 3.26Å; K223-D495 IonicContact NZ-OD2 3.78Å; K223-D495 PolarHBondContact NZ-OD2 2.89Å
224K94.3Very high95Very high142 Ų14251.8 Ų51.862%0.61724%0.24SC*.Hα-helixtrans-57.3-33.6177.6-178.2168.5175.6175.90113.1K220 I222 V486 V489K220-K224 VanDerWaalsContact O-CB 3.31Å; K220-K224 WeakPolarHBondContact O-CB 3.14Å; K220-K224 PolarHBondContact O-N 3.07Å; I222-K224 PolarHBondContact O-N 3.18Å; K224-V486 HydrophobicContact CB-CG1 4.31Å; K224-V486 HydrophobicContact CD-CG1 3.81Å; K224-V489 HydrophobicContact CB-CG2 4.18Å
225R93.8Very high95Very high135 Ų13552 Ų5251%0.50924%0.241SC..Hα-helixtrans-101.81.7-175.8-69.1-175.4176-179.22.7113.5G196 F197 R221 I222 K223 G227G196-R225 PolarHBondContact O-NH1 2.97Å; F197-R225 HydrophobicContact CE1-CB 3.97Å; R221-R225 WeakPolarHBondContact O-CB 3.22Å; R221-R225 PolarHBondContact O-N 2.51Å; I222-R225 CarbonylContact O-C 3.57Å; I222-R225 PolarHBondContact O-N 3.35Å; K223-R225 PolarHBondContact O-N 3.25Å; R225-G227 VanDerWaalsContact C-N 3.25Å; R225-G227 PolarHBondContact O-N 3.07Å
226K94.4Very high94.9Very high181 Ų18155.3 Ų55.379%0.78726%0.257SS*.THydrogen-bonded Turntrans5344.2-173.4-54.4-176.9178.7-174.60112.1I222 K223 E228I222-K226 PolarHBondContact O-N 3.43Å; K223-K226 PolarHBondContact O-N 2.95Å; K226-E228 WeakPolarHBondContact CA-OE2 3.29Å
227G94.1Very high94.9Very high4 Ų452.6 Ų52.64%0.04125%0.247CC..  trans-91.29.2-173.200000115.2I222 R225 M230 A231I222-G227 PolarHBondContact O-N 2.98Å; R225-G227 VanDerWaalsContact C-N 3.25Å; R225-G227 PolarHBondContact O-N 3.07Å; G227-M230 PolarHBondContact O-N 3.44Å; G227-A231 WeakPolarHBondContact O-CB 3.3Å; G227-A231 PolarHBondContact O-N 3.27Å
228E94.6Very high94.8Very high50 Ų5052.6 Ų52.623%0.23425%0.247CC..Hα-helixtrans-61.5-49.5-171.4-59.879.9-176.900111.3I222 K223 K226 M230 A231 L232 F498I222-E228 HydrophobicContact CG2-CB 4.47Å; I222-E228 HydrophobicContact CG2-CG 3.91Å; K223-E228 WeakPolarHBondContact CA-OE1 3.23Å; K226-E228 WeakPolarHBondContact CA-OE2 3.29Å; E228-M230 VanDerWaalsContact C-N 3.34Å; E228-M230 PolarHBondContact O-N 2.82Å; E228-A231 PolarHBondContact O-N 3.43Å; E228-L232 WeakPolarHBondContact O-CB 3.33Å; E228-L232 PolarHBondContact O-N 3.18Å; E228-F498 HydrophobicContact CB-CD1 4.26Å; E228-F498 HydrophobicContact CB-CD2 3.99Å; E228-F498 HydrophobicContact CB-CE1 4.18Å; E228-F498 HydrophobicContact CB-CE2 3.91Å; E228-F498 HydrophobicContact CB-CG 4.17Å; E228-F498 HydrophobicContact CB-CZ 4.02Å; E228-F498 HydrophobicContact CG-CD1 3.97Å; E228-F498 HydrophobicContact CG-CE1 4.01Å; E228-F498 HydrophobicContact CG-CG 4.25Å; E228-F498 HydrophobicContact CG-CZ 4.35Å; E228-F498 VanDerWaalsContact O-CE2 3.25Å; E228-F498 WeakPolarHBondContact O-CE2 3.4Å
229S92.3Very high94.8Very high98 Ų9852.8 Ų52.869%0.68525%0.248SC*.Hα-helixtrans-61.4-42.1178.9-178.80000111.8L232 N233S229-L232 PolarHBondContact O-N 3.19Å; S229-N233 WeakPolarHBondContact O-CB 3.23Å; S229-N233 PolarHBondContact O-N 3.23Å
230M92.3Very high94.6Very high78 Ų7858.7 Ų58.738%0.38427%0.274SS..Hα-helixtrans-63.4-46.3178-174.2-177.8-72.200111.8F197 G227 E228 N233 E234 G331 L332F197-M230 HydrophobicContact CE2-SD 3.73Å; F197-M230 HydrophobicContact CZ-SD 4.08Å; G227-M230 PolarHBondContact O-N 3.44Å; E228-M230 VanDerWaalsContact C-N 3.34Å; E228-M230 PolarHBondContact O-N 2.82Å; M230-N233 PolarHBondContact O-N 3.16Å; M230-E234 PolarHBondContact O-N 2.79Å; M230-G331 VanDerWaalsContact CG-O 3.28Å; M230-G331 WeakPolarHBondContact CG-O 3.4Å; M230-L332 HydrophobicContact CE-CD2 4.19Å
231A95.2Very high94.3Very high1 Ų154.9 Ų54.91%0.00826%0.258CS..Hα-helixtrans-65.8-40.9178.900000112.2L217 G227 E228 K235 F498 F502L217-A231 HydrophobicContact CD1-CB 4Å; G227-A231 WeakPolarHBondContact O-CB 3.3Å; G227-A231 PolarHBondContact O-N 3.27Å; E228-A231 PolarHBondContact O-N 3.43Å; A231-K235 PolarHBondContact O-N 3.35Å; A231-K235 VanDerWaalsContact O-N 3.16Å; A231-F498 HydrophobicContact CB-CZ 4.18Å; A231-F502 HydrophobicContact CB-CE2 4.44Å
232L95Very high94.1Very high32 Ų3258.6 Ų58.617%0.16828%0.279CS..Hα-helixtrans-67.1-42.6177-170.260.4000111.6E228 S229 K235 Q236 F498 K501E228-L232 WeakPolarHBondContact O-CB 3.33Å; E228-L232 PolarHBondContact O-N 3.18Å; S229-L232 PolarHBondContact O-N 3.19Å; L232-K235 PolarHBondContact O-N 3.07Å; L232-Q236 HydrophobicContact CD1-CG 4.5Å; L232-Q236 HydrophobicContact CG-CG 4.41Å; L232-Q236 WeakPolarHBondContact O-CB 3.17Å; L232-Q236 VanDerWaalsContact O-CG 3.29Å; L232-Q236 WeakPolarHBondContact O-CG 3.27Å; L232-Q236 PolarHBondContact O-N 3.2Å; L232-F498 HydrophobicContact CB-CE2 4.1Å; L232-K501 HydrophobicContact CD1-CB 4.38Å
233N93.8Very high94.1Very high38 Ų3858.8 Ų58.820%0.20328%0.281CS..Hα-helixtrans-61.9-46.7178177.578.7000111.5S229 M230 K235 Q236 I237 A333S229-N233 WeakPolarHBondContact O-CB 3.23Å; S229-N233 PolarHBondContact O-N 3.23Å; M230-N233 PolarHBondContact O-N 3.16Å; N233-K235 VanDerWaalsContact C-N 3.31Å; N233-K235 PolarHBondContact O-N 3.27Å; N233-Q236 PolarHBondContact O-N 2.94Å; N233-I237 WeakPolarHBondContact O-CG1 3.49Å; N233-I237 PolarHBondContact O-N 3.09Å; N233-A333 PolarHBondContact ND2-O 3.21Å
234E95.2Very high94.1Very high8 Ų861.2 Ų61.24%0.03729%0.293CS..Hα-helixtrans-55.2-48.6174.3-176.8175.9-166.800110.9K215 M230 Q236 I237 L238 L261 L330K215-E234 IonicContact NZ-OE1 2.91Å; K215-E234 PolarHBondContact NZ-OE1 3.3Å; K215-E234 IonicContact NZ-OE2 3.27Å; K215-E234 PolarHBondContact NZ-OE2 3.49Å; M230-E234 PolarHBondContact O-N 2.79Å; E234-Q236 PolarHBondContact O-N 2.81Å; E234-I237 PolarHBondContact O-N 3.43Å; E234-L238 HydrophobicContact CG-CD1 3.81Å; E234-L238 WeakPolarHBondContact O-CB 3.3Å; E234-L238 WeakPolarHBondContact O-CG 3.39Å; E234-L238 PolarHBondContact O-N 3.41Å; E234-L261 HydrophobicContact CG-CD1 4.39Å; E234-L330 HydrophobicContact CG-CB 4.25Å; E234-L330 PolarHBondContact OE1-N 3.12Å
235K96.5Very high94.3Very high3 Ų354.9 Ų54.91%0.01327%0.265CS..Hα-helixtrans-59.6-44.7178.4-175.5-91.9166.4-178.40112.2A231 L232 N233 E239 L249 A252 L261 F502 T504A231-K235 PolarHBondContact O-N 3.35Å; A231-K235 VanDerWaalsContact O-N 3.16Å; L232-K235 PolarHBondContact O-N 3.07Å; N233-K235 VanDerWaalsContact C-N 3.31Å; N233-K235 PolarHBondContact O-N 3.27Å; K235-E239 IonicContact NZ-OE1 2.91Å; K235-E239 PolarHBondContact NZ-OE1 2.68Å; K235-E239 IonicContact NZ-OE2 3.42Å; K235-E239 PolarHBondContact NZ-OE2 3.38Å; K235-E239 WeakPolarHBondContact O-CB 3.13Å; K235-E239 PolarHBondContact O-N 3.49Å; K235-L249 HydrophobicContact CG-CD2 4.09Å; K235-A252 HydrophobicContact CG-CB 4.14Å; K235-L261 HydrophobicContact CB-CD2 3.94Å; K235-L261 HydrophobicContact CG-CD2 3.72Å; K235-F502 HydrophobicContact CB-CD2 4.19Å; K235-F502 HydrophobicContact CB-CE2 3.87Å; K235-F502 HydrophobicContact CB-CZ 4.45Å; K235-F502 HydrophobicContact CG-CD2 4.36Å; K235-F502 HydrophobicContact CG-CE2 4.22Å; K235-F502 HydrophobicContact CG-CZ 4.47Å; K235-T504 VanDerWaalsContact CE-OG1 3.24Å; K235-T504 WeakPolarHBondContact CE-OG1 3.42Å; K235-T504 PolarHBondContact NZ-OG1 3.4Å
236Q95.8Very high94.5Very high92 Ų9248.4 Ų48.443%0.4324%0.241SC..Hα-helixtrans-69.6-36.6-176.3-76.4176.2-18.800112.8L232 N233 E234 K240L232-Q236 HydrophobicContact CD1-CG 4.5Å; L232-Q236 HydrophobicContact CG-CG 4.41Å; L232-Q236 WeakPolarHBondContact O-CB 3.17Å; L232-Q236 VanDerWaalsContact O-CG 3.29Å; L232-Q236 WeakPolarHBondContact O-CG 3.27Å; L232-Q236 PolarHBondContact O-N 3.2Å; N233-Q236 PolarHBondContact O-N 2.94Å; E234-Q236 PolarHBondContact O-N 2.81Å; Q236-K240 WeakPolarHBondContact O-CG 3.32Å; Q236-K240 PolarHBondContact O-N 3.01Å
237I95.8Very high94.6Very high9 Ų940 Ų405%0.04621%0.205CC..Hα-helixtrans-67.7-50.3174.8-65.7170.5000109.2N233 E234 E239 K240 V241 T307 L330 A333N233-I237 WeakPolarHBondContact O-CG1 3.49Å; N233-I237 PolarHBondContact O-N 3.09Å; E234-I237 PolarHBondContact O-N 3.43Å; I237-E239 PolarHBondContact O-N 3.08Å; I237-K240 PolarHBondContact O-N 2.94Å; I237-V241 HydrophobicContact CG2-CG2 3.93Å; I237-V241 WeakPolarHBondContact O-CG2 3.41Å; I237-V241 PolarHBondContact O-N 3.4Å; I237-T307 HydrophobicContact CD1-CG2 4.08Å; I237-T307 HydrophobicContact CG2-CG2 3.99Å; I237-L330 HydrophobicContact CB-CD2 4.46Å; I237-L330 HydrophobicContact CG2-CD2 3.52Å; I237-A333 HydrophobicContact CD1-CB 3.74Å; I237-A333 WeakPolarHBondContact CD1-O 3.4Å
238L96.3Very high94.8Very high3 Ų340.8 Ų40.82%0.01621%0.208CC..Hα-helixtrans-60.4-28.2179.2-78.4171.1000114.3E234 V247 L249 L261 L263 L330E234-L238 HydrophobicContact CG-CD1 3.81Å; E234-L238 WeakPolarHBondContact O-CB 3.3Å; E234-L238 WeakPolarHBondContact O-CG 3.39Å; E234-L238 PolarHBondContact O-N 3.41Å; L238-V247 HydrophobicContact CD2-CG2 4.09Å; L238-V247 WeakPolarHBondContact CD2-O 3.43Å; L238-L249 HydrophobicContact CB-CB 3.8Å; L238-L249 HydrophobicContact CB-CD2 4.18Å; L238-L261 HydrophobicContact CD1-CD1 4.29Å; L238-L263 HydrophobicContact CD1-CD2 3.82Å; L238-L330 HydrophobicContact CD2-CD1 3.86Å; L238-L330 HydrophobicContact CD2-CD2 4.16Å; L238-L330 HydrophobicContact CD2-CG 4.48Å; L238-L330 HydrophobicContact CG-CD1 4.48Å; L238-L330 HydrophobicContact CG-CD2 4.4Å
239E94.9Very high94.9Very high68 Ų6838.4 Ų38.432%0.31820%0.197SC..Hα-helixtrans-75.2-25.7176.5-174.9171.8-122.800112.9K235 I237 L249 T504 V507K235-E239 IonicContact NZ-OE1 2.91Å; K235-E239 PolarHBondContact NZ-OE1 2.68Å; K235-E239 IonicContact NZ-OE2 3.42Å; K235-E239 PolarHBondContact NZ-OE2 3.38Å; K235-E239 WeakPolarHBondContact O-CB 3.13Å; K235-E239 PolarHBondContact O-N 3.49Å; I237-E239 PolarHBondContact O-N 3.08Å; E239-L249 HydrophobicContact CB-CD2 4.28Å; E239-T504 PolarHBondContact OE1-OG1 3.05Å; E239-T504 VanDerWaalsContact OE1-OG1 3.05Å; E239-V507 HydrophobicContact CG-CG1 4.11Å; E239-V507 HydrophobicContact CG-CG2 4.2Å
240K91.2Very high95.2Very high137 Ų13733.8 Ų33.860%0.59616%0.164SC*.Hα-helixtrans-94.4-32.8-178.5-69.4-178.6-179.1-176.80113Q236 I237 N242Q236-K240 WeakPolarHBondContact O-CG 3.32Å; Q236-K240 PolarHBondContact O-N 3.01Å; I237-K240 PolarHBondContact O-N 2.94Å; K240-N242 PolarHBondContact O-N 3.21Å
241V90.8Very high95.5Very high11 Ų1130.2 Ų30.27%0.06715%0.147CC..  trans-76.7121.4179.9176.90000109.1I237 V246 N248 L302I237-V241 HydrophobicContact CG2-CG2 3.93Å; I237-V241 WeakPolarHBondContact O-CG2 3.41Å; I237-V241 PolarHBondContact O-N 3.4Å; V241-V246 HydrophobicContact CG1-CB 4.07Å; V241-V246 HydrophobicContact CG1-CG1 4.2Å; V241-V246 HydrophobicContact CG1-CG2 4.19Å; V241-N248 PolarHBondContact O-OD1 3.19Å; V241-L302 HydrophobicContact CB-CD2 4.48Å; V241-L302 HydrophobicContact CG1-CD2 4.05Å; V241-L302 HydrophobicContact CG2-CD2 3.67Å
242N90.3Very high95.7Very high92 Ų9230.2 Ų30.249%0.49215%0.146SC..  trans-120.992.9170.5177.461.3000108.4K240K240-N242 PolarHBondContact O-N 3.21Å
243S94.3Very high95.9Very high6 Ų628.9 Ų28.94%0.04214%0.139CC..  trans-132.1147.7-174.4171.80000111F245 V246 N248 D301 R326S243-F245 VanDerWaalsContact C-N 3.25Å; S243-F245 PolarHBondContact OG-N 3Å; S243-V246 PolarHBondContact OG-N 3.4Å; S243-N248 PolarHBondContact N-OD1 3.33Å; S243-N248 PolarHBondContact O-ND2 2.87Å; S243-D301 WeakPolarHBondContact CB-OD2 3.15Å; S243-D301 PolarHBondContact OG-OD2 3.13Å; S243-R326 PolarHBondContact O-NH1 3.44Å
244Q95.4Very high96Very high97 Ų9731.2 Ų31.245%0.45315%0.149SC..SBendtrans-73.6-20.9169.4-64.4-159.242.100112.4R326 E457Q244-R326 WeakPolarHBondContact O-CG 3.34Å; Q244-R326 PolarHBondContact O-NE 3.32Å; Q244-R326 PolarHBondContact O-NH1 3.2Å; Q244-R326 PolarHBondContact O-NH2 2.78Å; Q244-E457 PolarHBondContact NE2-O 3.15Å
245F98.2Very high96.1Very high9 Ų932.3 Ų32.34%0.03916%0.156CC..SBendtrans-108.95.7-172.9-52.5-69.8000112.9S243 E294 C297 G298 R326 I327 L456 E457S243-F245 VanDerWaalsContact C-N 3.25Å; S243-F245 PolarHBondContact OG-N 3Å; F245-E294 WeakPolarHBondContact CB-O 3.45Å; F245-E294 HydrophobicContact CD1-CB 3.75Å; F245-E294 HydrophobicContact CD1-CG 4.07Å; F245-E294 HydrophobicContact CE1-CB 3.95Å; F245-E294 HydrophobicContact CE1-CG 3.77Å; F245-E294 WeakPolarHBondContact CG-O 3.45Å; F245-C297 HydrophobicContact CD2-CB 3.3Å; F245-C297 HydrophobicContact CE2-CB 3.37Å; F245-C297 HydrophobicContact CG-CB 3.92Å; F245-C297 HydrophobicContact CZ-CB 4.05Å; F245-G298 VanDerWaalsContact CB-CA 3.47Å; F245-R326 CarbonylContact O-C 3.55Å; F245-R326 VanDerWaalsContact O-CA 3.3Å; F245-R326 WeakPolarHBondContact O-CA 3.4Å; F245-I327 PolarHBondContact O-N 2.99Å; F245-L456 HydrophobicContact CZ-CG 4.31Å; F245-E457 HydrophobicContact CE2-CG 4.15Å
246V98.2Very high95.9Very high0 Ų040.7 Ų40.70%019%0.193CC..BIsolated β-bridgetrans-123.1145.2170-173.30000108.5V241 S243 N248 L302 R326 I327 L330V241-V246 HydrophobicContact CG1-CB 4.07Å; V241-V246 HydrophobicContact CG1-CG1 4.2Å; V241-V246 HydrophobicContact CG1-CG2 4.19Å; S243-V246 PolarHBondContact OG-N 3.4Å; V246-N248 PolarHBondContact O-N 2.68Å; V246-N248 PolarHBondContact O-ND2 3.39Å; V246-L302 HydrophobicContact CG2-CD1 4.41Å; V246-L302 HydrophobicContact CG2-CD2 4.29Å; V246-L302 HydrophobicContact CG2-CG 4.16Å; V246-R326 PolarHBondContact O-NH1 3.24Å; V246-I327 HydrophobicContact CG2-CB 4.41Å; V246-L330 HydrophobicContact CG1-CD1 4.03Å; V246-L330 HydrophobicContact CG1-CD2 4.2Å
247V97.4Very high95.9Very high5 Ų541.1 Ų41.13%0.0320%0.198CC..PPolyproline II helixtrans-62.8126173.5-63.10000110L238 M266 R326 I327L238-V247 HydrophobicContact CD2-CG2 4.09Å; L238-V247 WeakPolarHBondContact CD2-O 3.43Å; V247-M266 HydrophobicContact CG1-CG 4.06Å; V247-R326 HydrophobicContact CG1-CB 4.01Å; V247-I327 PolarHBondContact N-O 2.71Å
248N96.8Very high95.9Very high19 Ų1940.9 Ų40.910%0.10220%0.197CC..PPolyproline II helixtrans-87.4140.4178.6-67.8-73000111V241 S243 V246 L263 T264 R326 P510V241-N248 PolarHBondContact O-OD1 3.19Å; S243-N248 PolarHBondContact N-OD1 3.33Å; S243-N248 PolarHBondContact O-ND2 2.87Å; V246-N248 PolarHBondContact O-N 2.68Å; V246-N248 PolarHBondContact O-ND2 3.39Å; N248-L263 CarbonylContact O-C 3.15Å; N248-L263 WeakPolarHBondContact O-CA 3.49Å; N248-T264 PolarHBondContact N-OG1 3.2Å; N248-T264 PolarHBondContact O-N 3.39Å; N248-T264 PolarHBondContact O-OG1 3.24Å; N248-R326 PolarHBondContact ND2-NH1 3.25Å; N248-R326 VanDerWaalsContact ND2-NH1 3.15Å; N248-P510 HydrophobicContact CB-CG 4.14Å
249L98.4Very high96Very high1 Ų140.7 Ų40.71%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-86.5119.8170.4173.871.2000110.2K235 L238 E239 Y251 A252 L261 L263 V507 P510K235-L249 HydrophobicContact CG-CD2 4.09Å; L238-L249 HydrophobicContact CB-CB 3.8Å; L238-L249 HydrophobicContact CB-CD2 4.18Å; E239-L249 HydrophobicContact CB-CD2 4.28Å; L249-Y251 WeakPolarHBondContact CD1-O 3.19Å; L249-A252 HydrophobicContact CD2-CB 4.46Å; L249-L261 HydrophobicContact CD1-CB 3.85Å; L249-L261 HydrophobicContact CD1-CD2 3.74Å; L249-L261 HydrophobicContact CD1-CG 4.38Å; L249-L261 HydrophobicContact CD2-CD2 4.27Å; L249-L263 HydrophobicContact CB-CD2 4.01Å; L249-L263 HydrophobicContact CD1-CD2 3.74Å; L249-V507 HydrophobicContact CB-CG2 4.48Å; L249-V507 HydrophobicContact CD2-CG2 3.95Å; L249-V507 HydrophobicContact CG-CG2 3.83Å; L249-V507 WeakPolarHBondContact O-CB 3.36Å; L249-V507 WeakPolarHBondContact O-CG2 3.32Å; L249-P510 WeakPolarHBondContact O-CG 3.32Å
250A98.4Very high96.1Very high0 Ų037.5 Ų37.50%018%0.181CC..EExtended strand (participates in β ladder)trans-96.7-32.6176.500000113.2Y212 V262 V507 P510Y212-A250 HydrophobicContact CD1-CB 4.24Å; Y212-A250 HydrophobicContact CE1-CB 3.51Å; A250-V262 PolarHBondContact N-O 3.07Å; A250-V507 PolarHBondContact O-N 3.45Å; A250-P510 HydrophobicContact CB-CB 4.04Å
251Y98.7Very high96.5Very high4 Ų431 Ų312%0.01615%0.153CC..EExtended strand (participates in β ladder)trans-147.1140.7-179.9-49.2-97.5000111.9V181 F186 V205 Y212 L249 V262 G505 W511 E514V181-Y251 HydrophobicContact CG1-CD1 4.1Å; V181-Y251 HydrophobicContact CG2-CD1 3.8Å; V181-Y251 HydrophobicContact CG2-CE1 4.4Å; F186-Y251 AromaticContact CE1-CD2 3.92Å; F186-Y251 HydrophobicContact CE1-CD2 3.92Å; F186-Y251 HydrophobicContact CE1-CE2 4.12Å; F186-Y251 HydrophobicContact CE1-CG 4.33Å; F186-Y251 HydrophobicContact CZ-CD1 4.15Å; F186-Y251 AromaticContact CZ-CD2 3.81Å; F186-Y251 HydrophobicContact CZ-CD2 3.81Å; F186-Y251 HydrophobicContact CZ-CE2 4.31Å; F186-Y251 AromaticContact CZ-CG 3.74Å; F186-Y251 HydrophobicContact CZ-CG 3.74Å; V205-Y251 HydrophobicContact CG2-CE2 3.9Å; Y212-Y251 HydrophobicContact CE2-CE2 4.15Å; L249-Y251 WeakPolarHBondContact CD1-O 3.19Å; Y251-V262 HydrophobicContact CD2-CB 3.84Å; Y251-V262 HydrophobicContact CD2-CG1 3.74Å; Y251-V262 HydrophobicContact CD2-CG2 4.37Å; Y251-V262 HydrophobicContact CG-CB 4.31Å; Y251-V262 PolarHBondContact N-O 3.3Å; Y251-V262 PolarHBondContact O-N 3.15Å; Y251-G505 CarbonylContact C-O 3.53Å; Y251-G505 VanDerWaalsContact CA-O 3.29Å; Y251-G505 WeakPolarHBondContact CA-O 3.48Å; Y251-W511 AromaticContact CE1-CD1 3.66Å; Y251-W511 AromaticContact CZ-CD1 3.78Å; Y251-W511 VanDerWaalsContact OH-CD1 3.31Å; Y251-E514 WeakPolarHBondContact CE2-OE2 3.3Å; Y251-E514 VanDerWaalsContact OH-CD 3.26Å; Y251-E514 PolarHBondContact OH-OE1 2.97Å; Y251-E514 PolarHBondContact OH-OE2 2.94Å
252A98.5Very high96.8Very high0 Ų030.4 Ų30.40%015%0.15CC..EExtended strand (participates in β ladder)trans-124119.7167.800000109.9K235 L249 C260 L261 F502 S503 T504 G505K235-A252 HydrophobicContact CG-CB 4.14Å; L249-A252 HydrophobicContact CD2-CB 4.46Å; A252-C260 WeakPolarHBondContact CA-O 3.37Å; A252-L261 HydrophobicContact CB-CD2 4.16Å; A252-F502 HydrophobicContact CB-CE1 4.35Å; A252-F502 WeakPolarHBondContact CB-O 3.36Å; A252-S503 CarbonylContact O-C 3.5Å; A252-T504 PolarHBondContact O-N 3.32Å; A252-G505 PolarHBondContact N-O 2.92Å; A252-G505 WeakPolarHBondContact O-CA 3.49Å; A252-G505 PolarHBondContact O-N 3.22Å
253Y98.4Very high97.2Very high5 Ų526.9 Ų26.92%0.0213%0.13CC..EExtended strand (participates in β ladder)trans-148.5165.5-177.573.1-83.5000111.4V181 F186 T255 C260 V262V181-Y253 HydrophobicContact CG1-CD1 3.94Å; V181-Y253 HydrophobicContact CG1-CG 4.01Å; F186-Y253 AromaticContact CD2-CE1 3.9Å; F186-Y253 HydrophobicContact CD2-CE1 3.9Å; F186-Y253 AromaticContact CD2-CZ 3.94Å; F186-Y253 AromaticContact CE2-CD1 3.9Å; F186-Y253 HydrophobicContact CE2-CD1 3.9Å; F186-Y253 AromaticContact CE2-CE1 3.41Å; F186-Y253 HydrophobicContact CE2-CE1 3.41Å; F186-Y253 VanDerWaalsContact CE2-CE1 3.41Å; F186-Y253 AromaticContact CE2-CZ 3.9Å; F186-Y253 HydrophobicContact CZ-CE1 4.16Å; Y253-T255 HydrophobicContact CD2-CG2 4.37Å; Y253-T255 HydrophobicContact CE2-CG2 3.78Å; Y253-C260 HydrophobicContact CD1-CB 3.82Å; Y253-C260 HydrophobicContact CD2-CB 4.28Å; Y253-C260 HydrophobicContact CE1-CB 3.43Å; Y253-C260 VanDerWaalsContact CE1-CB 3.43Å; Y253-C260 HydrophobicContact CE2-CB 3.93Å; Y253-C260 HydrophobicContact CG-CB 4.22Å; Y253-C260 VanDerWaalsContact CZ-CB 3.47Å; Y253-C260 PolarHBondContact N-O 3.49Å; Y253-C260 VanDerWaalsContact N-O 3.09Å; Y253-C260 WeakPolarHBondContact O-CB 3.33Å; Y253-C260 PolarHBondContact O-N 2.96Å; Y253-V262 HydrophobicContact CD1-CG2 4.17Å; Y253-V262 HydrophobicContact CE1-CG2 3.63Å
254E96.9Very high97.3Very high87 Ų8728 Ų2841%0.40714%0.137SC..EExtended strand (participates in β ladder)trans-111.1159.2175.564.2163.1-161.500113.7K219 L259 Y499 S503K219-E254 IonicContact NZ-OE2 2.61Å; K219-E254 PolarHBondContact NZ-OE2 3.39Å; E254-L259 HydrophobicContact CB-CD2 3.8Å; E254-Y499 WeakPolarHBondContact OE2-CB 3.29Å; E254-S503 WeakPolarHBondContact CB-OG 3.44Å; E254-S503 PolarHBondContact N-OG 3.24Å
255T96.2Very high97.3Very high30 Ų3024.4 Ų24.418%0.18412%0.121CC..  trans-124.2179.7166.365.60000108.7K183 K219 Y253 D257 A258K183-T255 HydrophobicContact CB-CG2 4.36Å; K219-T255 PolarHBondContact NZ-O 3.39Å; Y253-T255 HydrophobicContact CD2-CG2 4.37Å; Y253-T255 HydrophobicContact CE2-CG2 3.78Å; T255-D257 PolarHBondContact O-N 2.83Å; T255-A258 PolarHBondContact N-O 2.89Å; T255-A258 PolarHBondContact OG1-N 3.06Å; T255-A258 VanDerWaalsContact OG1-N 3.07Å; T255-A258 PolarHBondContact OG1-O 3.25Å
256K94Very high97.2Very high180 Ų18024.9 Ų24.978%0.78312%0.123SC*.SBendtrans-51.9-41.4174.7-172-178.7178.8-177.80112.5
257D94.3Very high96.9Very high100 Ų10025.6 Ų25.654%0.53513%0.127SC..SBendtrans-117-10.7-167.5-54.6-65.3000114.2K219 T255K219-D257 PolarHBondContact N-O 3.25Å; T255-D257 PolarHBondContact O-N 2.83Å
258A96.4Very high96.8Very high4 Ų425.3 Ų25.33%0.03313%0.126CC..EExtended strand (participates in β ladder)trans-147.1151.1-173.500000113.6L217 T255L217-A258 CarbonylContact O-C 3.58Å; L217-A258 WeakPolarHBondContact O-CA 3.49Å; L217-A258 WeakPolarHBondContact O-CB 3.36Å; T255-A258 PolarHBondContact N-O 2.89Å; T255-A258 PolarHBondContact OG1-N 3.06Å; T255-A258 VanDerWaalsContact OG1-N 3.07Å; T255-A258 PolarHBondContact OG1-O 3.25Å
259L97.8Very high96.6Very high0 Ų024.9 Ų24.90%013%0.125CC..EExtended strand (participates in β ladder)trans-90.2140.9162-60.2-179.8000109.2R216 L217 K219 I222 E254 F498 Y499 F502R216-L259 CarbonylContact C-O 3.42Å; L217-L259 HydrophobicContact CB-CB 4.39Å; L217-L259 PolarHBondContact N-O 2.79Å; L217-L259 PolarHBondContact O-N 3.04Å; K219-L259 HydrophobicContact CG-CG 4.34Å; I222-L259 HydrophobicContact CD1-CD1 3.94Å; I222-L259 HydrophobicContact CD1-CG 4.43Å; E254-L259 HydrophobicContact CB-CD2 3.8Å; L259-F498 HydrophobicContact CD1-CD1 4.48Å; L259-F498 HydrophobicContact CD1-CE1 3.5Å; L259-F498 VanDerWaalsContact CD1-CE1 3.5Å; L259-F498 HydrophobicContact CD1-CZ 3.53Å; L259-Y499 HydrophobicContact CD1-CD1 4.08Å; L259-Y499 HydrophobicContact CD1-CE1 4.4Å; L259-Y499 HydrophobicContact CD2-CD1 3.8Å; L259-Y499 HydrophobicContact CD2-CG 4.31Å; L259-Y499 HydrophobicContact CG-CD1 4.27Å; L259-F502 HydrophobicContact CB-CD1 3.96Å; L259-F502 HydrophobicContact CB-CE1 3.62Å; L259-F502 HydrophobicContact CB-CE2 4.45Å; L259-F502 HydrophobicContact CB-CZ 3.86Å; L259-F502 HydrophobicContact CD1-CB 4.32Å; L259-F502 HydrophobicContact CD1-CD1 4.1Å; L259-F502 HydrophobicContact CD1-CD2 3.93Å; L259-F502 HydrophobicContact CD1-CE1 4.4Å; L259-F502 HydrophobicContact CD1-CE2 4.2Å; L259-F502 HydrophobicContact CD1-CG 3.85Å; L259-F502 HydrophobicContact CD1-CZ 4.4Å; L259-F502 HydrophobicContact CD2-CD1 3.99Å; L259-F502 HydrophobicContact CD2-CE1 4.5Å; L259-F502 HydrophobicContact CD2-CG 4.35Å; L259-F502 HydrophobicContact CG-CD1 4.24Å; L259-F502 HydrophobicContact CG-CE1 4.39Å; L259-F502 HydrophobicContact CG-CG 4.47Å
260C98.4Very high96.5Very high0 Ų027.2 Ų27.20%014%0.138CC..EExtended strand (participates in β ladder)trans-125.9125.8-172.3-59.70000110.8K215 A252 Y253K215-C260 WeakPolarHBondContact O-CA 3.44Å; A252-C260 WeakPolarHBondContact CA-O 3.37Å; Y253-C260 HydrophobicContact CD1-CB 3.82Å; Y253-C260 HydrophobicContact CD2-CB 4.28Å; Y253-C260 HydrophobicContact CE1-CB 3.43Å; Y253-C260 VanDerWaalsContact CE1-CB 3.43Å; Y253-C260 HydrophobicContact CE2-CB 3.93Å; Y253-C260 HydrophobicContact CG-CB 4.22Å; Y253-C260 VanDerWaalsContact CZ-CB 3.47Å; Y253-C260 PolarHBondContact N-O 3.49Å; Y253-C260 VanDerWaalsContact N-O 3.09Å; Y253-C260 WeakPolarHBondContact O-CB 3.33Å; Y253-C260 PolarHBondContact O-N 2.96Å
261L98.4Very high96.4Very high0 Ų027.2 Ų27.20%014%0.138CC..EExtended strand (participates in β ladder)trans-105.5120.1166.6-60.6174.7000108.5C214 K215 E234 K235 L238 L249 A252 L263 F502C214-L261 CarbonylContact C-O 3.51Å; C214-L261 WeakPolarHBondContact CA-O 3.39Å; K215-L261 HydrophobicContact CB-CB 4.32Å; K215-L261 PolarHBondContact N-O 3.15Å; K215-L261 PolarHBondContact O-N 2.95Å; E234-L261 HydrophobicContact CG-CD1 4.39Å; K235-L261 HydrophobicContact CB-CD2 3.94Å; K235-L261 HydrophobicContact CG-CD2 3.72Å; L238-L261 HydrophobicContact CD1-CD1 4.29Å; L249-L261 HydrophobicContact CD1-CB 3.85Å; L249-L261 HydrophobicContact CD1-CD2 3.74Å; L249-L261 HydrophobicContact CD1-CG 4.38Å; L249-L261 HydrophobicContact CD2-CD2 4.27Å; A252-L261 HydrophobicContact CB-CD2 4.16Å; L261-L263 HydrophobicContact CB-CD2 4.05Å; L261-L263 HydrophobicContact CB-CG 4.2Å; L261-F502 HydrophobicContact CD1-CZ 4.39Å; L261-F502 HydrophobicContact CD2-CE1 3.9Å; L261-F502 HydrophobicContact CD2-CE2 4.11Å; L261-F502 HydrophobicContact CD2-CZ 3.36Å; L261-F502 HydrophobicContact CG-CE1 4.46Å; L261-F502 HydrophobicContact CG-CZ 3.72Å
262V98.6Very high96.2Very high0 Ų031.1 Ų31.10%016%0.155CC..EExtended strand (participates in β ladder)trans-97.1106176.7-175.80000108.2F186 Y212 A213 A250 Y251 Y253F186-V262 HydrophobicContact CE1-CG1 4.03Å; F186-V262 HydrophobicContact CE1-CG2 4.05Å; F186-V262 HydrophobicContact CE2-CG2 4.26Å; F186-V262 HydrophobicContact CZ-CG1 4.48Å; F186-V262 HydrophobicContact CZ-CG2 3.79Å; Y212-V262 HydrophobicContact CD1-CG1 4.02Å; Y212-V262 HydrophobicContact CD2-CG1 4.07Å; Y212-V262 HydrophobicContact CG-CG1 3.57Å; A213-V262 CarbonylContact O-C 3.45Å; A213-V262 WeakPolarHBondContact O-CA 3.46Å; A250-V262 PolarHBondContact N-O 3.07Å; Y251-V262 HydrophobicContact CD2-CB 3.84Å; Y251-V262 HydrophobicContact CD2-CG1 3.74Å; Y251-V262 HydrophobicContact CD2-CG2 4.37Å; Y251-V262 HydrophobicContact CG-CB 4.31Å; Y251-V262 PolarHBondContact N-O 3.3Å; Y251-V262 PolarHBondContact O-N 3.15Å; Y253-V262 HydrophobicContact CD1-CG2 4.17Å; Y253-V262 HydrophobicContact CE1-CG2 3.63Å
263L98.2Very high95.9Very high17 Ų1734.4 Ų34.49%0.08917%0.169CC..EExtended strand (participates in β ladder)trans-111.4156.6-169.5-53.8177.1000110.8Y212 A213 K215 L238 N248 L249 L261 I265Y212-L263 VanDerWaalsContact CD1-O 3.3Å; Y212-L263 WeakPolarHBondContact CD1-O 3.46Å; A213-L263 PolarHBondContact N-O 3.09Å; A213-L263 PolarHBondContact O-N 3.24Å; K215-L263 HydrophobicContact CB-CD1 4.22Å; K215-L263 HydrophobicContact CD-CD1 4.47Å; L238-L263 HydrophobicContact CD1-CD2 3.82Å; N248-L263 CarbonylContact O-C 3.15Å; N248-L263 WeakPolarHBondContact O-CA 3.49Å; L249-L263 HydrophobicContact CB-CD2 4.01Å; L249-L263 HydrophobicContact CD1-CD2 3.74Å; L261-L263 HydrophobicContact CB-CD2 4.05Å; L261-L263 HydrophobicContact CB-CG 4.2Å; L263-I265 PolarHBondContact O-N 3.35Å
264T96.4Very high95.8Very high31 Ų3134.2 Ų34.219%0.1917%0.168CC..  trans-44.7128.3168.5-56.10000110.3N248 M266N248-T264 PolarHBondContact N-OG1 3.2Å; N248-T264 PolarHBondContact O-N 3.39Å; N248-T264 PolarHBondContact O-OG1 3.24Å; T264-M266 HydrophobicContact CG2-SD 3.91Å
265I95.8Very high95.7Very high21 Ų2130 Ų3011%0.10815%0.149CC..  trans-81.3132.4178.7-167.3170000110.1A202 M211 L263 N267A202-I265 HydrophobicContact CB-CD1 4.13Å; M211-I265 HydrophobicContact CB-CD1 4.37Å; M211-I265 HydrophobicContact CB-CG2 4.08Å; M211-I265 HydrophobicContact CE-CD1 4.28Å; L263-I265 PolarHBondContact O-N 3.35Å; I265-N267 VanDerWaalsContact CD1-OD1 3.23Å; I265-N267 WeakPolarHBondContact CD1-OD1 3.4Å; I265-N267 WeakPolarHBondContact CG1-OD1 3.26Å
266M95.6Very high95.6Very high18 Ų1829.9 Ų29.99%0.08915%0.145CC..  trans-121.292.1-179-55.7-57.9-69.700108V247 T264 L318 L319 D320 R326V247-M266 HydrophobicContact CG1-CG 4.06Å; T264-M266 HydrophobicContact CG2-SD 3.91Å; M266-L318 HydrophobicContact CB-CB 3.43Å; M266-L318 VanDerWaalsContact CB-CB 3.43Å; M266-L318 HydrophobicContact CB-CD1 3.92Å; M266-L318 HydrophobicContact CB-CG 4.33Å; M266-L318 HydrophobicContact CE-CB 4.32Å; M266-L318 WeakPolarHBondContact CE-O 3.22Å; M266-L318 HydrophobicContact CG-CB 3.72Å; M266-L318 HydrophobicContact CG-CD1 3.98Å; M266-L319 CarbonylContact C-O 2.99Å; M266-L319 WeakPolarHBondContact CA-O 3.18Å; M266-L319 WeakPolarHBondContact CB-O 3.36Å; M266-D320 HydrophobicContact CE-CB 3.82Å; M266-D320 HydrophobicContact SD-CB 4.16Å; M266-R326 HydrophobicContact CE-CB 3.69Å; M266-R326 HydrophobicContact CE-CG 3.53Å; M266-R326 HydrophobicContact SD-CB 4.27Å; M266-R326 HydrophobicContact SD-CG 4.05Å
267N91.7Very high95.2Very high15 Ų1526.2 Ų26.28%0.0813%0.134CC..THydrogen-bonded Turntrans-81.6-16.9-169.3-71.4-44.1000113.9R16 I265 G269 L319 D321R16-N267 PolarHBondContact NE-ND2 3.4Å; I265-N267 VanDerWaalsContact CD1-OD1 3.23Å; I265-N267 WeakPolarHBondContact CD1-OD1 3.4Å; I265-N267 WeakPolarHBondContact CG1-OD1 3.26Å; N267-G269 PolarHBondContact O-N 2.92Å; N267-L319 PolarHBondContact N-O 3.49Å; N267-D321 WeakPolarHBondContact CB-OD1 3.29Å; N267-D321 PolarHBondContact ND2-OD1 3.43Å; N267-D321 PolarHBondContact ND2-OD2 3.37Å
268G94.1Very high94.7Very high0 Ų024.7 Ų24.70%013%0.125CC..THydrogen-bonded Turntrans-75-3.8-179.400000113.9H274 L319 Y473G268-H274 PolarHBondContact O-NE2 3.4Å; G268-L319 WeakPolarHBondContact CA-O 3.46Å; G268-L319 PolarHBondContact N-O 3.04Å; G268-Y473 VanDerWaalsContact O-CB 3.32Å; G268-Y473 WeakPolarHBondContact O-CB 3.42Å
269G93.8Very high94.1Very high9 Ų927.7 Ų27.79%0.09316%0.156CC..EExtended strand (participates in β ladder)trans80.7-177.6-179.300000113.2N267 L318 L319 Y473N267-G269 PolarHBondContact O-N 2.92Å; G269-L318 WeakPolarHBondContact O-CA 3.28Å; G269-L319 PolarHBondContact O-N 3.33Å; G269-Y473 WeakPolarHBondContact CA-O 3.44Å
270D95.3Very high93.7Very high50 Ų5034.6 Ų34.627%0.26719%0.193SC..EExtended strand (participates in β ladder)trans-89.4152.9-179.162.375.2000113K272 F273 H274 I317 L318D270-K272 PolarHBondContact O-N 3.01Å; D270-K272 WeakPolarHBondContact OD1-CB 3.43Å; D270-K272 PolarHBondContact OD1-N 2.67Å; D270-F273 WeakPolarHBondContact O-CB 3.48Å; D270-F273 PolarHBondContact O-N 3.17Å; D270-F273 PolarHBondContact OD1-N 3.47Å; D270-H274 PolarHBondContact O-CD2 3.45Å; D270-H274 VanDerWaalsContact O-CD2 3.28Å; D270-H274 PolarHBondContact O-N 2.96Å; D270-I317 CarbonylContact C-O 3.13Å; D270-I317 WeakPolarHBondContact CA-O 3.41Å; D270-L318 HydrophobicContact CB-CD2 3.63Å
271L96.8Very high93.6Very high0 Ų036.6 Ų36.60%021%0.206CC..Hα-helixtrans-62.1-28.7-176.4-162.569.1000112.3F273 H274 I275 F283 Y291 P314 I317 L319 M378L271-F273 VanDerWaalsContact C-N 3.35Å; L271-F273 PolarHBondContact O-N 3.32Å; L271-H274 PolarHBondContact O-N 2.77Å; L271-I275 HydrophobicContact CD2-CD1 4.34Å; L271-I275 HydrophobicContact CG-CD1 4.07Å; L271-I275 HydrophobicContact CG-CG1 4.34Å; L271-I275 VanDerWaalsContact O-CG1 3.28Å; L271-I275 WeakPolarHBondContact O-CG1 3.36Å; L271-I275 PolarHBondContact O-N 2.84Å; L271-F283 HydrophobicContact CD1-CE2 3.71Å; L271-F283 HydrophobicContact CD1-CZ 3.88Å; L271-F283 HydrophobicContact CG-CE2 4.2Å; L271-F283 HydrophobicContact CG-CZ 4.37Å; L271-Y291 HydrophobicContact CD1-CD2 3.65Å; L271-Y291 HydrophobicContact CD1-CE2 3.78Å; L271-P314 HydrophobicContact CB-CB 4.2Å; L271-P314 VanDerWaalsContact CB-O 3.31Å; L271-P314 WeakPolarHBondContact CB-O 3.36Å; L271-P314 PolarHBondContact N-O 3.15Å; L271-P314 VanDerWaalsContact N-O 3.16Å; L271-I317 HydrophobicContact CB-CB 3.96Å; L271-I317 HydrophobicContact CB-CG2 4.29Å; L271-I317 HydrophobicContact CD2-CB 4.14Å; L271-I317 HydrophobicContact CD2-CG2 4.15Å; L271-I317 PolarHBondContact N-O 3.45Å; L271-L319 HydrophobicContact CD1-CD1 4.17Å; L271-M378 HydrophobicContact CD2-CG 4.03Å; L271-M378 HydrophobicContact CD2-SD 3.79Å
272K95.3Very high93.5Very high87 Ų8737.3 Ų37.338%0.37821%0.213SC..Hα-helixtrans-59.3-46.4173.7-177-177.8-174.9163.40111D270 H274 I275 Y276 P314 E315D270-K272 PolarHBondContact O-N 3.01Å; D270-K272 WeakPolarHBondContact OD1-CB 3.43Å; D270-K272 PolarHBondContact OD1-N 2.67Å; K272-H274 VanDerWaalsContact C-N 3.28Å; K272-H274 PolarHBondContact O-N 3.3Å; K272-I275 PolarHBondContact O-N 3.39Å; K272-Y276 HydrophobicContact CB-CD2 4.44Å; K272-Y276 HydrophobicContact CG-CD2 3.53Å; K272-Y276 HydrophobicContact CG-CE2 3.92Å; K272-Y276 WeakPolarHBondContact O-CB 3.44Å; K272-Y276 VanDerWaalsContact O-CD2 3.23Å; K272-Y276 WeakPolarHBondContact O-CD2 3.5Å; K272-Y276 PolarHBondContact O-N 3.48Å; K272-P314 HydrophobicContact CB-CB 3.85Å; K272-P314 PolarHBondContact N-O 3.45Å; K272-E315 HydrophobicContact CB-CG 4.27Å; K272-E315 HydrophobicContact CD-CG 3.57Å; K272-E315 WeakPolarHBondContact CD-OE1 3.35Å; K272-E315 IonicContact NZ-OE1 2.69Å; K272-E315 PolarHBondContact NZ-OE1 2.83Å
273F92.6Very high93.4Very high68 Ų6838.3 Ų38.330%0.29822%0.218SC..Hα-helixtrans-57.1-45.8175.5-178.5-90.8000110.9D270 L271 Y276 N277 M278 Y473D270-F273 WeakPolarHBondContact O-CB 3.48Å; D270-F273 PolarHBondContact O-N 3.17Å; D270-F273 PolarHBondContact OD1-N 3.47Å; L271-F273 VanDerWaalsContact C-N 3.35Å; L271-F273 PolarHBondContact O-N 3.32Å; F273-Y276 PolarHBondContact O-N 2.97Å; F273-N277 HydrophobicContact CD2-CB 3.84Å; F273-N277 HydrophobicContact CE1-CB 4.47Å; F273-N277 HydrophobicContact CE2-CB 3.75Å; F273-N277 HydrophobicContact CG-CB 4.27Å; F273-N277 HydrophobicContact CZ-CB 4.09Å; F273-N277 WeakPolarHBondContact O-CA 3.08Å; F273-N277 VanDerWaalsContact O-CB 3.26Å; F273-N277 WeakPolarHBondContact O-CB 3.23Å; F273-N277 PolarHBondContact O-N 3.46Å; F273-M278 HydrophobicContact CD1-CG 4.39Å; F273-M278 HydrophobicContact CE1-CG 4.09Å; F273-Y473 HydrophobicContact CD1-CD1 4.11Å; F273-Y473 AromaticContact CE1-CD1 3.72Å; F273-Y473 HydrophobicContact CE1-CD1 3.72Å; F273-Y473 HydrophobicContact CE1-CE1 4.31Å
274H94.9Very high93.3Very high1 Ų145 Ų451%0.00525%0.248CC..Hα-helixtrans-61.6-46.5178.4-73.7-90.5000112.3G268 D270 L271 K272 Y276 M278 F283 R287 F465G268-H274 PolarHBondContact O-NE2 3.4Å; D270-H274 PolarHBondContact O-CD2 3.45Å; D270-H274 VanDerWaalsContact O-CD2 3.28Å; D270-H274 PolarHBondContact O-N 2.96Å; L271-H274 PolarHBondContact O-N 2.77Å; K272-H274 VanDerWaalsContact C-N 3.28Å; K272-H274 PolarHBondContact O-N 3.3Å; H274-Y276 PolarHBondContact O-N 3.33Å; H274-M278 HydrophobicContact CB-SD 4.45Å; H274-M278 VanDerWaalsContact CE1-SD 3.51Å; H274-M278 PolarHBondContact ND1-SD 3.21Å; H274-M278 WeakPolarHBondContact O-CB 3.46Å; H274-F283 VanDerWaalsContact C-CE1 3.47Å; H274-F283 HydrophobicContact CB-CE1 3.79Å; H274-F283 HydrophobicContact CB-CZ 3.57Å; H274-F283 WeakPolarHBondContact O-CE1 3.41Å; H274-R287 PolarHBondContact ND1-NH2 3.07Å; H274-F465 AromaticContact CE1-CE1 3.38Å; H274-F465 WeakPolarHBondContact CE1-CE1 3.34Å; H274-F465 AromaticContact CE1-CZ 3.8Å; H274-F465 AromaticContact ND1-CE1 3.64Å; H274-F465 AromaticContact ND1-CZ 3.97Å
275I95.7Very high93.3Very high0 Ų046 Ų460%025%0.251CS..Hα-helixtrans-64.4-40.2-178.6-67.7169.7000111.6L271 K272 P281 G282 F283 P314 E377 M378L271-I275 HydrophobicContact CD2-CD1 4.34Å; L271-I275 HydrophobicContact CG-CD1 4.07Å; L271-I275 HydrophobicContact CG-CG1 4.34Å; L271-I275 VanDerWaalsContact O-CG1 3.28Å; L271-I275 WeakPolarHBondContact O-CG1 3.36Å; L271-I275 PolarHBondContact O-N 2.84Å; K272-I275 PolarHBondContact O-N 3.39Å; I275-P281 VanDerWaalsContact O-CA 3.25Å; I275-P281 WeakPolarHBondContact O-CA 3.49Å; I275-G282 PolarHBondContact O-N 2.52Å; I275-F283 HydrophobicContact CB-CZ 4.28Å; I275-F283 HydrophobicContact CD1-CE2 4.43Å; I275-F283 HydrophobicContact CG1-CE1 4.04Å; I275-F283 HydrophobicContact CG1-CE2 3.66Å; I275-F283 HydrophobicContact CG1-CZ 3.38Å; I275-P314 HydrophobicContact CD1-CB 3.99Å; I275-P314 HydrophobicContact CD1-CG 4.02Å; I275-E377 HydrophobicContact CD1-CG 4.25Å; I275-M378 HydrophobicContact CD1-CG 3.95Å; I275-M378 HydrophobicContact CG1-CG 4.46Å
276Y92.9Very high93.3Very high27 Ų2752 Ų5211%0.10628%0.278CS..Hα-helixtrans-108.3-18.7-164.5-69.9-65.7000115.7K272 F273 H274 E377 G381 R388K272-Y276 HydrophobicContact CB-CD2 4.44Å; K272-Y276 HydrophobicContact CG-CD2 3.53Å; K272-Y276 HydrophobicContact CG-CE2 3.92Å; K272-Y276 WeakPolarHBondContact O-CB 3.44Å; K272-Y276 VanDerWaalsContact O-CD2 3.23Å; K272-Y276 WeakPolarHBondContact O-CD2 3.5Å; K272-Y276 PolarHBondContact O-N 3.48Å; F273-Y276 PolarHBondContact O-N 2.97Å; H274-Y276 PolarHBondContact O-N 3.33Å; Y276-E377 WeakPolarHBondContact CE2-OE1 3.14Å; Y276-E377 VanDerWaalsContact CZ-OE1 3.28Å; Y276-E377 PolarHBondContact OH-OE1 3.3Å; Y276-G381 VanDerWaalsContact CE1-O 3.23Å; Y276-G381 WeakPolarHBondContact CE1-O 3.47Å; Y276-R388 HydrophobicContact CE1-CG 4.35Å; Y276-R388 PolarHBondContact O-NH2 2.88Å
277N87.4Confident93.4Very high103 Ų10352.4 Ų52.455%0.55128%0.279SS*.Hα-helixtrans-120.6-9.6-171.7-66.583.5000113.4F273 G279F273-N277 HydrophobicContact CD2-CB 3.84Å; F273-N277 HydrophobicContact CE1-CB 4.47Å; F273-N277 HydrophobicContact CE2-CB 3.75Å; F273-N277 HydrophobicContact CG-CB 4.27Å; F273-N277 HydrophobicContact CZ-CB 4.09Å; F273-N277 WeakPolarHBondContact O-CA 3.08Å; F273-N277 VanDerWaalsContact O-CB 3.26Å; F273-N277 WeakPolarHBondContact O-CB 3.23Å; F273-N277 PolarHBondContact O-N 3.46Å; N277-G279 PolarHBondContact O-N 3.21Å
278M82.1Confident93.8Very high67 Ų6751.7 Ų51.733%0.3328%0.275SS..SBendtrans-9776.1175.3-65-164.366.400111.8F273 H274 F465 Y473F273-M278 HydrophobicContact CD1-CG 4.39Å; F273-M278 HydrophobicContact CE1-CG 4.09Å; H274-M278 HydrophobicContact CB-SD 4.45Å; H274-M278 VanDerWaalsContact CE1-SD 3.51Å; H274-M278 PolarHBondContact ND1-SD 3.21Å; H274-M278 WeakPolarHBondContact O-CB 3.46Å; M278-F465 HydrophobicContact CE-CE2 3.66Å; M278-F465 HydrophobicContact CE-CZ 3.63Å; M278-F465 HydrophobicContact SD-CE2 4.44Å; M278-F465 HydrophobicContact SD-CZ 4Å; M278-Y473 HydrophobicContact SD-CE1 4.49Å
279G84.1Confident94Very high67 Ų6753.2 Ų53.269%0.69128%0.283SS*.SBendtrans79.7-130.3176.900000113.2N277N277-G279 PolarHBondContact O-N 3.21Å
280N90.5Very high94.2Very high146 Ų14653.4 Ų53.478%0.78128%0.281SS*.SBendtrans-75.7138.4178-71.4-28.1000110.1G282N280-G282 PolarHBondContact O-N 2.99Å
281P94.7Very high94.4Very high42 Ų4251 Ų5127%0.27327%0.269SS..SBendtrans-59.8136.3-178.4-26.936000114.1I275 R388 K411I275-P281 VanDerWaalsContact O-CA 3.25Å; I275-P281 WeakPolarHBondContact O-CA 3.49Å; P281-R388 VanDerWaalsContact CG-NH1 3.32Å; P281-K411 PolarHBondContact O-NZ 3.49Å
282G96.1Very high94.5Very high14 Ų1451 Ų5114%0.14427%0.269CS..SBendtrans94.3178.7-176.600000113.3I275 N280 M378I275-G282 PolarHBondContact O-N 2.52Å; N280-G282 PolarHBondContact O-N 2.99Å; G282-M378 CarbonylContact C-O 3.35Å; G282-M378 WeakPolarHBondContact CA-O 3.47Å
283F96.8Very high94.6Very high22 Ų2246.9 Ų46.910%0.09625%0.251CS..  trans-121.9162-179.1-55.5-35.7000110.8L271 H274 I275 R287 Y291 M378L271-F283 HydrophobicContact CD1-CE2 3.71Å; L271-F283 HydrophobicContact CD1-CZ 3.88Å; L271-F283 HydrophobicContact CG-CE2 4.2Å; L271-F283 HydrophobicContact CG-CZ 4.37Å; H274-F283 VanDerWaalsContact C-CE1 3.47Å; H274-F283 HydrophobicContact CB-CE1 3.79Å; H274-F283 HydrophobicContact CB-CZ 3.57Å; H274-F283 WeakPolarHBondContact O-CE1 3.41Å; I275-F283 HydrophobicContact CB-CZ 4.28Å; I275-F283 HydrophobicContact CD1-CE2 4.43Å; I275-F283 HydrophobicContact CG1-CE1 4.04Å; I275-F283 HydrophobicContact CG1-CE2 3.66Å; I275-F283 HydrophobicContact CG1-CZ 3.38Å; F283-R287 HydrophobicContact CB-CB 4.18Å; F283-R287 HydrophobicContact CB-CG 4.36Å; F283-R287 HydrophobicContact CD2-CG 4.25Å; F283-R287 HydrophobicContact CG-CG 4.26Å; F283-Y291 HydrophobicContact CD2-CD2 4.46Å; F283-Y291 HydrophobicContact CE2-CD2 4.11Å; F283-Y291 HydrophobicContact CE2-CE2 4.15Å; F283-M378 HydrophobicContact CD2-CB 3.81Å; F283-M378 HydrophobicContact CD2-CG 3.86Å; F283-M378 HydrophobicContact CD2-SD 4.14Å; F283-M378 HydrophobicContact CE2-CB 4.2Å; F283-M378 HydrophobicContact CE2-CG 3.76Å; F283-M378 HydrophobicContact CE2-SD 4.04Å; F283-M378 PolarHBondContact N-O 3.42Å
284E96.1Very high94.9Very high158 Ų15843.7 Ų43.774%0.73824%0.236SC*.  trans-63.1147.7158.6-61.8-57.8147.500110.2E286 R287 A288E284-E286 VanDerWaalsContact C-N 3.27Å; E284-E286 PolarHBondContact O-N 2.93Å; E284-R287 PolarHBondContact O-N 3.1Å; E284-A288 PolarHBondContact O-N 3.02Å
285E96.3Very high95.1Very high51 Ų5143.6 Ų43.624%0.23824%0.236CC..Hα-helixtrans-59.5-36-172.5-169.4172.1132.300112.7R287 A288 L289 I379 S413 A416 F447E285-R287 VanDerWaalsContact C-N 3.3Å; E285-R287 PolarHBondContact O-N 3.39Å; E285-A288 PolarHBondContact O-N 3.12Å; E285-L289 VanDerWaalsContact O-CB 3.26Å; E285-L289 WeakPolarHBondContact O-CB 3.43Å; E285-L289 PolarHBondContact O-N 3.02Å; E285-I379 HydrophobicContact CG-CD1 4.36Å; E285-S413 WeakPolarHBondContact OE1-CB 3.47Å; E285-S413 PolarHBondContact OE1-OG 2.84Å; E285-S413 WeakPolarHBondContact OE2-CB 3.44Å; E285-S413 PolarHBondContact OE2-N 2.67Å; E285-S413 VanDerWaalsContact OE2-N 3.14Å; E285-S413 PolarHBondContact OE2-OG 3.47Å; E285-A416 HydrophobicContact CG-CB 4.38Å; E285-F447 HydrophobicContact CG-CE2 4.02Å
286E97.1Very high95.3Very high146 Ų14643.6 Ų43.668%0.68224%0.236SC*.Hα-helixtrans-56.7-42176.2-177.7178.9-168.100112.4E284 F290 P464E284-E286 VanDerWaalsContact C-N 3.27Å; E284-E286 PolarHBondContact O-N 2.93Å; E286-F290 PolarHBondContact O-N 3.17Å; E286-P464 HydrophobicContact CG-CB 4.39Å
287R97.9Very high95.5Very high28 Ų2842.4 Ų42.411%0.10623%0.232CC..Hα-helixtrans-71.6-41.2177.9-177.9177.5-173.8-162.3-3.9111.6H274 F283 E284 E285 L289 F290 Y291 P464H274-R287 PolarHBondContact ND1-NH2 3.07Å; F283-R287 HydrophobicContact CB-CB 4.18Å; F283-R287 HydrophobicContact CB-CG 4.36Å; F283-R287 HydrophobicContact CD2-CG 4.25Å; F283-R287 HydrophobicContact CG-CG 4.26Å; E284-R287 PolarHBondContact O-N 3.1Å; E285-R287 VanDerWaalsContact C-N 3.3Å; E285-R287 PolarHBondContact O-N 3.39Å; R287-L289 VanDerWaalsContact C-N 3.35Å; R287-F290 PolarHBondContact O-N 2.95Å; R287-Y291 HydrophobicContact CG-CD2 4.04Å; R287-Y291 HydrophobicContact CG-CE2 3.55Å; R287-Y291 PolarHBondContact NE-OH 2.83Å; R287-Y291 PolarHBondContact NH2-OH 3.43Å; R287-Y291 VanDerWaalsContact NH2-OH 3.13Å; R287-Y291 PolarHBondContact O-N 3.15Å; R287-Y291 VanDerWaalsContact O-N 3.14Å; R287-P464 HydrophobicContact CB-CG 4.06Å; R287-P464 HydrophobicContact CG-CG 4.26Å
288A98.4Very high96.1Very high0 Ų037.5 Ų37.50%021%0.205CC..Hα-helixtrans-63-42.1175.700000111.6E284 E285 A292 M378 I379E284-A288 PolarHBondContact O-N 3.02Å; E285-A288 PolarHBondContact O-N 3.12Å; A288-A292 WeakPolarHBondContact O-CB 3.48Å; A288-A292 PolarHBondContact O-N 3.15Å; A288-M378 HydrophobicContact CB-CB 3.82Å; A288-M378 HydrophobicContact CB-CE 4.26Å; A288-M378 HydrophobicContact CB-SD 4.4Å; A288-M378 WeakPolarHBondContact O-CE 3.32Å; A288-I379 HydrophobicContact CB-CD1 4.42Å; A288-I379 HydrophobicContact CB-CG1 3.76Å
289L98.6Very high96.9Very high32 Ų3234.3 Ų34.317%0.16819%0.19CC..Hα-helixtrans-60.6-50.2175.7-178.1167.6000111.2E285 R287 Y291 A292 A293 F447 F448 M451E285-L289 VanDerWaalsContact O-CB 3.26Å; E285-L289 WeakPolarHBondContact O-CB 3.43Å; E285-L289 PolarHBondContact O-N 3.02Å; R287-L289 VanDerWaalsContact C-N 3.35Å; L289-Y291 PolarHBondContact O-N 3.45Å; L289-A292 PolarHBondContact O-N 2.81Å; L289-A293 WeakPolarHBondContact O-CB 3.22Å; L289-A293 PolarHBondContact O-N 3.3Å; L289-F447 HydrophobicContact CB-CE1 3.93Å; L289-F447 HydrophobicContact CB-CE2 4.25Å; L289-F447 HydrophobicContact CB-CZ 3.62Å; L289-F447 WeakPolarHBondContact CD1-O 3.48Å; L289-F447 HydrophobicContact CG-CD1 4.36Å; L289-F447 HydrophobicContact CG-CE1 3.94Å; L289-F447 HydrophobicContact CG-CZ 4.05Å; L289-F448 HydrophobicContact CD2-CD1 4.04Å; L289-F448 HydrophobicContact CD2-CE1 4.41Å; L289-F448 HydrophobicContact CG-CD1 4.08Å; L289-F448 HydrophobicContact CG-CE1 4.29Å; L289-M451 HydrophobicContact CD2-CE 3.65Å
290F98.8Very high97.5Very high13 Ų1333.4 Ų33.46%0.05717%0.168CC..Hα-helixtrans-57.8-50.3179.9-171.7-86.9000111.4E286 R287 A292 A293 E294 M451 L456 L461 P463 P464E286-F290 PolarHBondContact O-N 3.17Å; R287-F290 PolarHBondContact O-N 2.95Å; F290-A292 PolarHBondContact O-N 2.83Å; F290-A293 WeakPolarHBondContact O-CB 3.34Å; F290-A293 PolarHBondContact O-N 2.97Å; F290-E294 HydrophobicContact CD1-CG 4.35Å; F290-E294 VanDerWaalsContact CE1-CD 3.43Å; F290-E294 HydrophobicContact CE1-CG 4.04Å; F290-E294 WeakPolarHBondContact CE1-OE2 3.34Å; F290-E294 PolarHBondContact O-N 2.87Å; F290-E294 VanDerWaalsContact O-N 3.13Å; F290-M451 HydrophobicContact CD2-CE 4.08Å; F290-L456 HydrophobicContact CE2-CD1 3.89Å; F290-L456 HydrophobicContact CZ-CD1 3.85Å; F290-L461 HydrophobicContact CE2-CB 3.94Å; F290-P463 HydrophobicContact CD1-CB 4.42Å; F290-P463 HydrophobicContact CE1-CB 3.81Å; F290-P463 HydrophobicContact CE1-CG 3.87Å; F290-P463 HydrophobicContact CZ-CB 4.07Å; F290-P463 HydrophobicContact CZ-CG 3.89Å; F290-P464 HydrophobicContact CB-CG 3.87Å; F290-P464 VanDerWaalsContact CG-CD 3.46Å; F290-P464 HydrophobicContact CG-CG 4.15Å
291Y98.8Very high97.8Very high0 Ų028 Ų280%014%0.138CC..Hα-helixtrans-66.2-37.5178-63.5-25.5000112.8L271 F283 R287 L289 A293 E294 I295 L319 G323 I325 M378L271-Y291 HydrophobicContact CD1-CD2 3.65Å; L271-Y291 HydrophobicContact CD1-CE2 3.78Å; F283-Y291 HydrophobicContact CD2-CD2 4.46Å; F283-Y291 HydrophobicContact CE2-CD2 4.11Å; F283-Y291 HydrophobicContact CE2-CE2 4.15Å; R287-Y291 HydrophobicContact CG-CD2 4.04Å; R287-Y291 HydrophobicContact CG-CE2 3.55Å; R287-Y291 PolarHBondContact NE-OH 2.83Å; R287-Y291 PolarHBondContact NH2-OH 3.43Å; R287-Y291 VanDerWaalsContact NH2-OH 3.13Å; R287-Y291 PolarHBondContact O-N 3.15Å; R287-Y291 VanDerWaalsContact O-N 3.14Å; L289-Y291 PolarHBondContact O-N 3.45Å; Y291-A293 VanDerWaalsContact C-N 3.28Å; Y291-A293 PolarHBondContact O-N 3.42Å; Y291-E294 PolarHBondContact O-N 3.22Å; Y291-I295 WeakPolarHBondContact O-CB 3.5Å; Y291-I295 WeakPolarHBondContact O-CD1 3.3Å; Y291-I295 WeakPolarHBondContact O-CG1 3.37Å; Y291-I295 PolarHBondContact O-N 3.15Å; Y291-L319 WeakPolarHBondContact OH-CD2 3.14Å; Y291-G323 WeakPolarHBondContact CE1-O 3.35Å; Y291-I325 HydrophobicContact CD1-CG1 4.41Å; Y291-I325 HydrophobicContact CD1-CG2 3.52Å; Y291-I325 HydrophobicContact CE1-CG2 3.78Å; Y291-I325 HydrophobicContact CG-CG2 3.96Å; Y291-M378 HydrophobicContact CD2-SD 4.15Å
292A98.9Very high98Very high0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-61.8-37.7175.100000112.1A288 L289 F290 L296 L371 I375 M378 F447 F448A288-A292 WeakPolarHBondContact O-CB 3.48Å; A288-A292 PolarHBondContact O-N 3.15Å; L289-A292 PolarHBondContact O-N 2.81Å; F290-A292 PolarHBondContact O-N 2.83Å; A292-L296 VanDerWaalsContact O-CB 3.29Å; A292-L296 WeakPolarHBondContact O-CB 3.12Å; A292-L296 PolarHBondContact O-N 3.16Å; A292-L371 HydrophobicContact CB-CD1 4.39Å; A292-I375 HydrophobicContact CB-CD1 3.96Å; A292-I375 HydrophobicContact CB-CG1 3.68Å; A292-M378 HydrophobicContact CB-CE 4.21Å; A292-F447 HydrophobicContact CB-CE1 4.26Å; A292-F448 HydrophobicContact CB-CE1 4.16Å; A292-F448 HydrophobicContact CB-CZ 3.97Å
293A98.8Very high98Very high0 Ų026.1 Ų26.10%012%0.122CC..Hα-helixtrans-65.4-44.317600000111.7L289 F290 Y291 L296 C297 F448 M451 F453 L456L289-A293 WeakPolarHBondContact O-CB 3.22Å; L289-A293 PolarHBondContact O-N 3.3Å; F290-A293 WeakPolarHBondContact O-CB 3.34Å; F290-A293 PolarHBondContact O-N 2.97Å; Y291-A293 VanDerWaalsContact C-N 3.28Å; Y291-A293 PolarHBondContact O-N 3.42Å; A293-L296 PolarHBondContact O-N 3.38Å; A293-C297 PolarHBondContact O-N 3.24Å; A293-C297 PolarHBondContact O-SG 2.82Å; A293-F448 HydrophobicContact CB-CD1 4.07Å; A293-F448 HydrophobicContact CB-CE1 3.72Å; A293-M451 HydrophobicContact CB-CE 3.9Å; A293-M451 HydrophobicContact CB-CG 3.95Å; A293-M451 HydrophobicContact CB-SD 4.29Å; A293-F453 HydrophobicContact CB-CE1 3.77Å; A293-F453 HydrophobicContact CB-CZ 4.1Å; A293-L456 HydrophobicContact CB-CD2 3.53Å
294E98.8Very high97.9Very high0 Ų032.2 Ų32.20%015%0.145CC..Hα-helixtrans-65.7-41.4176.2-67.6-164.7128.700112.2F245 F290 Y291 L296 C297 G298 H324 I325 L456F245-E294 WeakPolarHBondContact CB-O 3.45Å; F245-E294 HydrophobicContact CD1-CB 3.75Å; F245-E294 HydrophobicContact CD1-CG 4.07Å; F245-E294 HydrophobicContact CE1-CB 3.95Å; F245-E294 HydrophobicContact CE1-CG 3.77Å; F245-E294 WeakPolarHBondContact CG-O 3.45Å; F290-E294 HydrophobicContact CD1-CG 4.35Å; F290-E294 VanDerWaalsContact CE1-CD 3.43Å; F290-E294 HydrophobicContact CE1-CG 4.04Å; F290-E294 WeakPolarHBondContact CE1-OE2 3.34Å; F290-E294 PolarHBondContact O-N 2.87Å; F290-E294 VanDerWaalsContact O-N 3.13Å; Y291-E294 PolarHBondContact O-N 3.22Å; E294-L296 VanDerWaalsContact C-N 3.31Å; E294-L296 PolarHBondContact O-N 2.83Å; E294-C297 PolarHBondContact O-N 3.43Å; E294-G298 PolarHBondContact O-N 3.45Å; E294-H324 IonicContact OE1-CE1 2.69Å; E294-H324 IonicContact OE1-CG 3.39Å; E294-H324 IonicContact OE1-ND1 2.94Å; E294-H324 PolarHBondContact OE1-ND1 3.14Å; E294-I325 HydrophobicContact CB-CD1 3.48Å; E294-I325 VanDerWaalsContact CB-CD1 3.48Å; E294-I325 HydrophobicContact CB-CG1 3.65Å; E294-I325 WeakPolarHBondContact OE2-CG1 2.97Å; E294-I325 PolarHBondContact OE2-N 2.71Å; E294-L456 HydrophobicContact CG-CD1 3.83Å; E294-L456 HydrophobicContact CG-CD2 4.12Å; E294-L456 HydrophobicContact CG-CG 4.23Å
295I98.9Very high97.7Very high0 Ų028.4 Ų28.40%013%0.127CC..Hα-helixtrans-61.8-43.7176.2-67.7160.1000109.6Y291 C297 G298 L299 L312 I317 I325 L371 L374Y291-I295 WeakPolarHBondContact O-CB 3.5Å; Y291-I295 WeakPolarHBondContact O-CD1 3.3Å; Y291-I295 WeakPolarHBondContact O-CG1 3.37Å; Y291-I295 PolarHBondContact O-N 3.15Å; I295-C297 PolarHBondContact O-N 3.37Å; I295-G298 PolarHBondContact O-N 2.63Å; I295-G298 VanDerWaalsContact O-N 3.16Å; I295-L299 HydrophobicContact CG2-CD1 4.26Å; I295-L299 HydrophobicContact CG2-CG 4.34Å; I295-L299 WeakPolarHBondContact O-CG 3.43Å; I295-L299 PolarHBondContact O-N 3.23Å; I295-L312 HydrophobicContact CG2-CD1 3.97Å; I295-L312 HydrophobicContact CG2-CD2 3.9Å; I295-I317 HydrophobicContact CD1-CD1 4.45Å; I295-I317 HydrophobicContact CD1-CG1 4.22Å; I295-I317 HydrophobicContact CD1-CG2 4.34Å; I295-I317 HydrophobicContact CG1-CD1 4.15Å; I295-I317 HydrophobicContact CG1-CG1 4.42Å; I295-I317 HydrophobicContact CG1-CG2 4.36Å; I295-I325 HydrophobicContact CG1-CD1 3.76Å; I295-I325 HydrophobicContact CG1-CG1 4.17Å; I295-L371 HydrophobicContact CB-CD1 4.21Å; I295-L371 HydrophobicContact CG2-CD1 3.87Å; I295-L374 HydrophobicContact CD1-CD1 3.75Å
296L98.8Very high97.6Very high0 Ų028.2 Ų28.20%013%0.127CC..Hα-helixtrans-59.7-44.3177.1177.362.4000111.8A292 A293 E294 G298 L299 E300 Y368 L371 A439 V442 K443 F448 F453A292-L296 VanDerWaalsContact O-CB 3.29Å; A292-L296 WeakPolarHBondContact O-CB 3.12Å; A292-L296 PolarHBondContact O-N 3.16Å; A293-L296 PolarHBondContact O-N 3.38Å; E294-L296 VanDerWaalsContact C-N 3.31Å; E294-L296 PolarHBondContact O-N 2.83Å; L296-G298 VanDerWaalsContact C-N 3.34Å; L296-G298 PolarHBondContact O-N 3.04Å; L296-L299 PolarHBondContact O-N 3.45Å; L296-E300 WeakPolarHBondContact O-CB 3.37Å; L296-E300 PolarHBondContact O-N 3.03Å; L296-Y368 HydrophobicContact CD1-CE1 4.12Å; L296-L371 HydrophobicContact CB-CD2 4.31Å; L296-L371 HydrophobicContact CD1-CD2 4.1Å; L296-A439 HydrophobicContact CD1-CB 4.08Å; L296-V442 HydrophobicContact CD1-CB 4.01Å; L296-V442 HydrophobicContact CD1-CG1 4.03Å; L296-V442 HydrophobicContact CD1-CG2 4.21Å; L296-V442 HydrophobicContact CD2-CB 3.81Å; L296-V442 HydrophobicContact CD2-CG1 3.67Å; L296-V442 HydrophobicContact CG-CG1 4.49Å; L296-K443 HydrophobicContact CD2-CG 3.68Å; L296-F448 HydrophobicContact CD2-CE2 4.29Å; L296-F453 HydrophobicContact CD2-CE1 4.16Å; L296-F453 HydrophobicContact CD2-CZ 4.19Å
297C98.6Very high97.7Very high1 Ų121.5 Ų21.51%0.00710%0.096CC..Hα-helixtrans-61.3-41.1173.8-70.90000112F245 A293 E294 I295 E300 D301F245-C297 HydrophobicContact CD2-CB 3.3Å; F245-C297 HydrophobicContact CE2-CB 3.37Å; F245-C297 HydrophobicContact CG-CB 3.92Å; F245-C297 HydrophobicContact CZ-CB 4.05Å; A293-C297 PolarHBondContact O-N 3.24Å; A293-C297 PolarHBondContact O-SG 2.82Å; E294-C297 PolarHBondContact O-N 3.43Å; I295-C297 PolarHBondContact O-N 3.37Å; C297-E300 PolarHBondContact O-N 3.37Å; C297-D301 PolarHBondContact O-N 3.39Å
298G98.5Very high97.7Very high0 Ų020.1 Ų20.10%09%0.091CC..Hα-helixtrans-63.9-39.4175.300000113.6F245 E294 I295 L296 D301 L302F245-G298 VanDerWaalsContact CB-CA 3.47Å; E294-G298 PolarHBondContact O-N 3.45Å; I295-G298 PolarHBondContact O-N 2.63Å; I295-G298 VanDerWaalsContact O-N 3.16Å; L296-G298 VanDerWaalsContact C-N 3.34Å; L296-G298 PolarHBondContact O-N 3.04Å; G298-D301 PolarHBondContact O-N 3.47Å; G298-L302 WeakPolarHBondContact O-CG 3.33Å; G298-L302 PolarHBondContact O-N 2.8Å
299L98.6Very high97.7Very high0 Ų020.2 Ų20.20%09%0.091CC..Hα-helixtrans-65.3-44.8173.3-69.6179.4000111.2I295 L296 D301 L302 H303 L312 I327 D367 L371I295-L299 HydrophobicContact CG2-CD1 4.26Å; I295-L299 HydrophobicContact CG2-CG 4.34Å; I295-L299 WeakPolarHBondContact O-CG 3.43Å; I295-L299 PolarHBondContact O-N 3.23Å; L296-L299 PolarHBondContact O-N 3.45Å; L299-D301 VanDerWaalsContact C-N 3.29Å; L299-D301 PolarHBondContact O-N 3.44Å; L299-L302 PolarHBondContact O-N 2.94Å; L299-L302 VanDerWaalsContact O-N 3.15Å; L299-H303 VanDerWaalsContact O-CB 3.32Å; L299-H303 WeakPolarHBondContact O-CB 3.32Å; L299-H303 PolarHBondContact O-CD2 3.26Å; L299-H303 PolarHBondContact O-N 2.82Å; L299-L312 HydrophobicContact CD1-CD2 4.09Å; L299-I327 HydrophobicContact CD2-CD1 3.99Å; L299-I327 HydrophobicContact CG-CD1 4.2Å; L299-D367 HydrophobicContact CD1-CB 4.12Å; L299-D367 HydrophobicContact CD2-CB 3.84Å; L299-L371 HydrophobicContact CD1-CB 4.35Å
300E97.8Very high97.7Very high49 Ų4920.5 Ų20.523%0.2299%0.09CC..Hα-helixtrans-58.3-41.6176.9-171.4-174.116100111.8L296 C297 L302 H303 R304 A439 K443L296-E300 WeakPolarHBondContact O-CB 3.37Å; L296-E300 PolarHBondContact O-N 3.03Å; C297-E300 PolarHBondContact O-N 3.37Å; E300-L302 VanDerWaalsContact C-N 3.35Å; E300-L302 PolarHBondContact O-N 2.82Å; E300-H303 PolarHBondContact O-N 2.84Å; E300-R304 WeakPolarHBondContact O-CB 3.03Å; E300-R304 PolarHBondContact O-N 3.04Å; E300-R304 IonicContact OE1-NH2 3.28Å; E300-R304 PolarHBondContact OE1-NH2 3Å; E300-A439 HydrophobicContact CB-CB 3.99Å; E300-A439 HydrophobicContact CG-CB 3.86Å; E300-K443 IonicContact OE1-NZ 2.71Å; E300-K443 WeakPolarHBondContact OE2-CE 3.48Å; E300-K443 IonicContact OE2-NZ 3.39Å; E300-K443 PolarHBondContact OE2-NZ 3.37Å
301D97.3Very high97.6Very high31 Ų3120.4 Ų20.417%0.1669%0.09CC..Hα-helixtrans-63.4-38.4177-72.8-21.9000112.8S243 C297 G298 L299 R304S243-D301 WeakPolarHBondContact CB-OD2 3.15Å; S243-D301 PolarHBondContact OG-OD2 3.13Å; C297-D301 PolarHBondContact O-N 3.39Å; G298-D301 PolarHBondContact O-N 3.47Å; L299-D301 VanDerWaalsContact C-N 3.29Å; L299-D301 PolarHBondContact O-N 3.44Å; D301-R304 IonicContact OD1-CZ 3.9Å; D301-R304 IonicContact OD1-NH1 3.83Å; D301-R304 PolarHBondContact OD1-NH1 3.06Å; D301-R304 IonicContact OD1-NH2 2.81Å; D301-R304 PolarHBondContact OD1-NH2 2.73Å
302L97.6Very high97.6Very high0 Ų020.7 Ų20.70%09%0.092CC..Hα-helixtrans-69.2-42.6173.6-66.3173.2000111.4V241 V246 G298 L299 E300 R304 E305 T307 Y309 I327 L330V241-L302 HydrophobicContact CB-CD2 4.48Å; V241-L302 HydrophobicContact CG1-CD2 4.05Å; V241-L302 HydrophobicContact CG2-CD2 3.67Å; V246-L302 HydrophobicContact CG2-CD1 4.41Å; V246-L302 HydrophobicContact CG2-CD2 4.29Å; V246-L302 HydrophobicContact CG2-CG 4.16Å; G298-L302 WeakPolarHBondContact O-CG 3.33Å; G298-L302 PolarHBondContact O-N 2.8Å; L299-L302 PolarHBondContact O-N 2.94Å; L299-L302 VanDerWaalsContact O-N 3.15Å; E300-L302 VanDerWaalsContact C-N 3.35Å; E300-L302 PolarHBondContact O-N 2.82Å; L302-R304 VanDerWaalsContact C-N 3.33Å; L302-R304 PolarHBondContact O-N 2.73Å; L302-E305 PolarHBondContact O-N 2.99Å; L302-E305 VanDerWaalsContact O-N 3.13Å; L302-T307 CarbonylContact C-O 3.6Å; L302-T307 WeakPolarHBondContact O-CB 3.46Å; L302-T307 PolarHBondContact O-N 3.21Å; L302-Y309 HydrophobicContact CD1-CD2 4.32Å; L302-Y309 HydrophobicContact CD1-CG 4.3Å; L302-I327 HydrophobicContact CD1-CD1 4.5Å; L302-L330 HydrophobicContact CD2-CD2 4.02Å
303H96.8Very high97.5Very high17 Ų1722 Ų228%0.07910%0.098CC..Hα-helixtrans-66.6-33.7-178.2-70.8-173.3000112.1L299 E300 E305 N306 T307 L364 D367 Y368L299-H303 VanDerWaalsContact O-CB 3.32Å; L299-H303 WeakPolarHBondContact O-CB 3.32Å; L299-H303 PolarHBondContact O-CD2 3.26Å; L299-H303 PolarHBondContact O-N 2.82Å; E300-H303 PolarHBondContact O-N 2.84Å; H303-E305 PolarHBondContact O-N 2.85Å; H303-N306 VanDerWaalsContact O-CA 3.28Å; H303-N306 WeakPolarHBondContact O-CA 3.27Å; H303-N306 PolarHBondContact O-N 3.04Å; H303-T307 PolarHBondContact CD2-O 3.38Å; H303-L364 HydrophobicContact CB-CD1 3.77Å; H303-D367 IonicContact CD2-OD2 2.72Å; H303-D367 IonicContact CE1-OD2 2.77Å; H303-D367 IonicContact NE2-OD2 3.92Å; H303-D367 PolarHBondContact NE2-OD2 2.86Å; H303-Y368 AromaticContact CE1-CE2 3.8Å; H303-Y368 AromaticContact CE1-CZ 3.91Å; H303-Y368 AromaticContact ND1-CE2 3.95Å; H303-Y368 AromaticContact ND1-CZ 3.82Å; H303-Y368 PolarHBondContact ND1-OH 3.45Å
304R93.9Very high97.4Very high150 Ų15022 Ų2257%0.56610%0.098SC*.Hα-helixtrans-60.4-28.2173.4-162.3177.9-57.3111.52.4112.7E300 D301 L302 N306E300-R304 WeakPolarHBondContact O-CB 3.03Å; E300-R304 PolarHBondContact O-N 3.04Å; E300-R304 IonicContact OE1-NH2 3.28Å; E300-R304 PolarHBondContact OE1-NH2 3Å; D301-R304 IonicContact OD1-CZ 3.9Å; D301-R304 IonicContact OD1-NH1 3.83Å; D301-R304 PolarHBondContact OD1-NH1 3.06Å; D301-R304 IonicContact OD1-NH2 2.81Å; D301-R304 PolarHBondContact OD1-NH2 2.73Å; L302-R304 VanDerWaalsContact C-N 3.33Å; L302-R304 PolarHBondContact O-N 2.73Å; R304-N306 VanDerWaalsContact C-N 3.29Å
305E92.4Very high97.3Very high79 Ų7925 Ų2537%0.36911%0.112SC..THydrogen-bonded Turntrans-91.914.1172.9-72.1-63.2146.800113.3L302 H303 T307 K335L302-E305 PolarHBondContact O-N 2.99Å; L302-E305 VanDerWaalsContact O-N 3.13Å; H303-E305 PolarHBondContact O-N 2.85Å; E305-T307 PolarHBondContact O-N 3.18Å; E305-T307 PolarHBondContact O-OG1 3.13Å; E305-K335 VanDerWaalsContact O-CE 3.23Å; E305-K335 WeakPolarHBondContact O-CE 3.45Å; E305-K335 PolarHBondContact O-NZ 3.11Å; E305-K335 IonicContact OE2-NZ 3.58Å; E305-K335 PolarHBondContact OE2-NZ 2.94Å
306N95.3Very high97.2Very high46 Ų4625.5 Ų25.525%0.24611%0.114CC..THydrogen-bonded Turntrans50.239.7-171.9-155.725.3000112.6H303 R304 K335 I336 P337H303-N306 VanDerWaalsContact O-CA 3.28Å; H303-N306 WeakPolarHBondContact O-CA 3.27Å; H303-N306 PolarHBondContact O-N 3.04Å; R304-N306 VanDerWaalsContact C-N 3.29Å; N306-K335 CarbonylContact O-C 3.53Å; N306-I336 PolarHBondContact ND2-O 3.26Å; N306-I336 PolarHBondContact O-N 2.73Å; N306-P337 PolarHBondContact ND2-O 2.89Å
307T97.5Very high97.2Very high5 Ų525.5 Ų25.53%0.03111%0.114CC..EExtended strand (participates in β ladder)trans-109.8119.6-178.7-61.90000110.5I237 L302 H303 E305 A333 V334I237-T307 HydrophobicContact CD1-CG2 4.08Å; I237-T307 HydrophobicContact CG2-CG2 3.99Å; L302-T307 CarbonylContact C-O 3.6Å; L302-T307 WeakPolarHBondContact O-CB 3.46Å; L302-T307 PolarHBondContact O-N 3.21Å; H303-T307 PolarHBondContact CD2-O 3.38Å; E305-T307 PolarHBondContact O-N 3.18Å; E305-T307 PolarHBondContact O-OG1 3.13Å; T307-A333 HydrophobicContact CG2-CB 4.15Å; T307-V334 WeakPolarHBondContact CA-O 3.49Å
308V98.3Very high97.2Very high0 Ų027.3 Ų27.30%012%0.124CC..EExtended strand (participates in β ladder)trans-90.2134.8173630000110R310 A333 V334 I336 I342 L364 D367V308-R310 HydrophobicContact CB-CG 4.21Å; V308-R310 HydrophobicContact CG1-CG 3.8Å; V308-R310 HydrophobicContact CG2-CG 3.59Å; V308-A333 CarbonylContact O-C 3.59Å; V308-A333 WeakPolarHBondContact O-CA 3.48Å; V308-V334 PolarHBondContact N-O 3.34Å; V308-V334 PolarHBondContact O-N 3.35Å; V308-I336 HydrophobicContact CB-CD1 4.04Å; V308-I336 HydrophobicContact CG1-CD1 3.8Å; V308-I336 HydrophobicContact CG1-CG1 3.97Å; V308-I342 HydrophobicContact CG1-CD1 3.66Å; V308-L364 HydrophobicContact CB-CD2 4.06Å; V308-D367 WeakPolarHBondContact CG2-OD2 3.32Å
309Y98.4Very high97.1Very high1 Ų127.3 Ų27.30%0.00412%0.124CC..  trans-83.6-46.7-172.9177.8-122.8000113.6L302 D311 L312 N316 I327 S328 D329 L330 L332 A333 D367L302-Y309 HydrophobicContact CD1-CD2 4.32Å; L302-Y309 HydrophobicContact CD1-CG 4.3Å; Y309-D311 VanDerWaalsContact C-N 3.27Å; Y309-D311 WeakPolarHBondContact CE1-O 3.4Å; Y309-D311 PolarHBondContact O-N 3.41Å; Y309-D311 PolarHBondContact OH-O 3.01Å; Y309-L312 HydrophobicContact CD1-CB 4.01Å; Y309-L312 HydrophobicContact CD1-CD1 3.89Å; Y309-L312 HydrophobicContact CE1-CB 4.06Å; Y309-L312 HydrophobicContact CE1-CD1 3.75Å; Y309-N316 WeakPolarHBondContact OH-CB 3.48Å; Y309-N316 PolarHBondContact OH-ND2 3.18Å; Y309-I327 HydrophobicContact CD1-CG2 4.18Å; Y309-I327 HydrophobicContact CD2-CG2 4.08Å; Y309-I327 HydrophobicContact CE1-CG2 3.72Å; Y309-I327 HydrophobicContact CE2-CG2 3.64Å; Y309-I327 HydrophobicContact CG-CG2 4.35Å; Y309-I327 VanDerWaalsContact CZ-CG2 3.47Å; Y309-S328 PolarHBondContact OH-O 3.37Å; Y309-D329 WeakPolarHBondContact CE2-O 3.37Å; Y309-L330 HydrophobicContact CD2-CG 4.32Å; Y309-L330 HydrophobicContact CE2-CD1 4.49Å; Y309-L330 HydrophobicContact CE2-CG 4.2Å; Y309-L332 CarbonylContact O-C 3.51Å; Y309-A333 HydrophobicContact CD2-CB 4.34Å; Y309-A333 WeakPolarHBondContact O-CA 3.41Å; Y309-A333 PolarHBondContact O-N 2.86Å; Y309-D367 PolarHBondContact N-OD1 3.48Å; Y309-D367 PolarHBondContact N-OD2 3.26Å
310R98.1Very high96.9Very high39 Ų3928.4 Ų28.415%0.14713%0.129CC..  trans65.74.3171.3-50.2-171.4-63.5178.7-1118.1V308 L332 V346 Y362 D367V308-R310 HydrophobicContact CB-CG 4.21Å; V308-R310 HydrophobicContact CG1-CG 3.8Å; V308-R310 HydrophobicContact CG2-CG 3.59Å; R310-L332 PolarHBondContact NE-O 3.47Å; R310-L332 PolarHBondContact NH2-O 3.28Å; R310-V346 HydrophobicContact CB-CG2 4.48Å; R310-Y362 WeakPolarHBondContact CD-OH 3.43Å; R310-Y362 PolarHBondContact NH1-OH 3.38Å; R310-D367 PolarHBondContact N-OD1 3.36Å
311D97.6Very high96.7Very high10 Ų1028.8 Ų28.85%0.05313%0.133CC..  trans-138.640.6177.3-15737.2000113Y309 K313 N316 L332 T348Y309-D311 VanDerWaalsContact C-N 3.27Å; Y309-D311 WeakPolarHBondContact CE1-O 3.4Å; Y309-D311 PolarHBondContact O-N 3.41Å; Y309-D311 PolarHBondContact OH-O 3.01Å; D311-K313 PolarHBondContact O-N 3.16Å; D311-K313 IonicContact OD1-NZ 3.34Å; D311-K313 PolarHBondContact OD1-NZ 2.87Å; D311-K313 VanDerWaalsContact OD2-CE 3.27Å; D311-K313 WeakPolarHBondContact OD2-CE 3.35Å; D311-K313 IonicContact OD2-NZ 3.4Å; D311-K313 PolarHBondContact OD2-NZ 3.3Å; D311-N316 PolarHBondContact O-ND2 2.87Å; D311-N316 PolarHBondContact OD2-ND2 3.01Å; D311-L332 HydrophobicContact CB-CB 4.32Å; D311-L332 HydrophobicContact CB-CD1 4.02Å; D311-T348 PolarHBondContact OD1-N 2.99Å; D311-T348 PolarHBondContact OD1-OG1 3.13Å
312L98.2Very high96.5Very high6 Ų635.3 Ų35.33%0.03116%0.157CC..  trans-71.6113.3176.8-156.671000111.2I295 L299 Y309 I317 I327 Y351 G370 L371 L374I295-L312 HydrophobicContact CG2-CD1 3.97Å; I295-L312 HydrophobicContact CG2-CD2 3.9Å; L299-L312 HydrophobicContact CD1-CD2 4.09Å; Y309-L312 HydrophobicContact CD1-CB 4.01Å; Y309-L312 HydrophobicContact CD1-CD1 3.89Å; Y309-L312 HydrophobicContact CE1-CB 4.06Å; Y309-L312 HydrophobicContact CE1-CD1 3.75Å; L312-I317 HydrophobicContact CD1-CD1 3.82Å; L312-I327 HydrophobicContact CD1-CD1 4.48Å; L312-Y351 WeakPolarHBondContact O-CD1 3.32Å; L312-G370 VanDerWaalsContact CD2-C 3.43Å; L312-L371 HydrophobicContact CD2-CB 4.19Å; L312-L371 VanDerWaalsContact CD2-N 3.34Å; L312-L374 HydrophobicContact CD1-CD1 4.1Å; L312-L374 HydrophobicContact CD2-CD1 3.85Å; L312-L374 HydrophobicContact CD2-CG 4.42Å; L312-L374 HydrophobicContact CG-CD1 3.57Å; L312-L374 HydrophobicContact CG-CG 4.26Å
313K97.5Very high96.5Very high28 Ų2835.3 Ų35.312%0.12216%0.157CC..SBendtrans-160.3161.8-17965.5-172.7169.1-1590110.3D311 E315 N316 T348 Y351D311-K313 PolarHBondContact O-N 3.16Å; D311-K313 IonicContact OD1-NZ 3.34Å; D311-K313 PolarHBondContact OD1-NZ 2.87Å; D311-K313 VanDerWaalsContact OD2-CE 3.27Å; D311-K313 WeakPolarHBondContact OD2-CE 3.35Å; D311-K313 IonicContact OD2-NZ 3.4Å; D311-K313 PolarHBondContact OD2-NZ 3.3Å; K313-E315 VanDerWaalsContact C-N 3.26Å; K313-E315 HydrophobicContact CD-CB 4.48Å; K313-E315 HydrophobicContact CG-CB 4.33Å; K313-E315 WeakPolarHBondContact CG-OE2 3.49Å; K313-E315 PolarHBondContact O-N 2.97Å; K313-N316 VanDerWaalsContact CE-CG 3.42Å; K313-N316 VanDerWaalsContact CE-ND2 3.27Å; K313-N316 WeakPolarHBondContact CE-ND2 3.17Å; K313-N316 VanDerWaalsContact CE-OD1 3.24Å; K313-N316 WeakPolarHBondContact CE-OD1 3.47Å; K313-N316 HydrophobicContact CG-CB 4.28Å; K313-N316 PolarHBondContact O-N 3.45Å; K313-T348 HydrophobicContact CD-CG2 4.03Å; K313-T348 WeakPolarHBondContact CD-OG1 3.47Å; K313-T348 PolarHBondContact NZ-OG1 3.47Å; K313-Y351 HydrophobicContact CB-CD1 4.05Å; K313-Y351 HydrophobicContact CB-CD2 4.12Å; K313-Y351 HydrophobicContact CB-CE1 4.02Å; K313-Y351 HydrophobicContact CB-CE2 4.06Å; K313-Y351 HydrophobicContact CB-CG 4.11Å
314P97.5Very high96.6Very high0 Ų036.3 Ų36.30%016%0.161CC..G310 helixtrans-61.9-30.2-172.8-24.334000114.2L271 K272 I275 N316 I317 Y351 L374 E377L271-P314 HydrophobicContact CB-CB 4.2Å; L271-P314 VanDerWaalsContact CB-O 3.31Å; L271-P314 WeakPolarHBondContact CB-O 3.36Å; L271-P314 PolarHBondContact N-O 3.15Å; L271-P314 VanDerWaalsContact N-O 3.16Å; K272-P314 HydrophobicContact CB-CB 3.85Å; K272-P314 PolarHBondContact N-O 3.45Å; I275-P314 HydrophobicContact CD1-CB 3.99Å; I275-P314 HydrophobicContact CD1-CG 4.02Å; P314-N316 PolarHBondContact O-N 2.93Å; P314-I317 PolarHBondContact O-N 3.34Å; P314-Y351 WeakPolarHBondContact CD-OH 3.12Å; P314-L374 HydrophobicContact CB-CD2 4.32Å; P314-L374 VanDerWaalsContact CD-CD2 3.45Å; P314-L374 HydrophobicContact CG-CD2 3.56Å; P314-E377 VanDerWaalsContact CG-CD 3.49Å; P314-E377 HydrophobicContact CG-CG 4.37Å; P314-E377 VanDerWaalsContact CG-OE2 3.29Å; P314-E377 WeakPolarHBondContact CG-OE2 3.06Å
315E95.3Very high96.8Very high63 Ų6329.2 Ų29.229%0.29413%0.134SC..G310 helixtrans-62.9-26.5176.7-66.191157.700113.9K272 K313K272-E315 HydrophobicContact CB-CG 4.27Å; K272-E315 HydrophobicContact CD-CG 3.57Å; K272-E315 WeakPolarHBondContact CD-OE1 3.35Å; K272-E315 IonicContact NZ-OE1 2.69Å; K272-E315 PolarHBondContact NZ-OE1 2.83Å; K313-E315 VanDerWaalsContact C-N 3.26Å; K313-E315 HydrophobicContact CD-CB 4.48Å; K313-E315 HydrophobicContact CG-CB 4.33Å; K313-E315 WeakPolarHBondContact CG-OE2 3.49Å; K313-E315 PolarHBondContact O-N 2.97Å
316N97.6Very high97.1Very high10 Ų1027.3 Ų27.35%0.05312%0.124CC..G310 helixtrans-98.6-0.8-174-70.11.2000113.1Y309 D311 K313 P314 S328Y309-N316 WeakPolarHBondContact OH-CB 3.48Å; Y309-N316 PolarHBondContact OH-ND2 3.18Å; D311-N316 PolarHBondContact O-ND2 2.87Å; D311-N316 PolarHBondContact OD2-ND2 3.01Å; K313-N316 VanDerWaalsContact CE-CG 3.42Å; K313-N316 VanDerWaalsContact CE-ND2 3.27Å; K313-N316 WeakPolarHBondContact CE-ND2 3.17Å; K313-N316 VanDerWaalsContact CE-OD1 3.24Å; K313-N316 WeakPolarHBondContact CE-OD1 3.47Å; K313-N316 HydrophobicContact CG-CB 4.28Å; K313-N316 PolarHBondContact O-N 3.45Å; P314-N316 PolarHBondContact O-N 2.93Å; N316-S328 PolarHBondContact O-N 3Å; N316-S328 PolarHBondContact O-OG 2.91Å
317I98.5Very high97.2Very high0 Ų025.1 Ų25.10%011%0.112CC..EExtended strand (participates in β ladder)trans-102.2116.1174.1-55.5-52.7000108D270 L271 I295 L312 P314 I325 I327 L374D270-I317 CarbonylContact C-O 3.13Å; D270-I317 WeakPolarHBondContact CA-O 3.41Å; L271-I317 HydrophobicContact CB-CB 3.96Å; L271-I317 HydrophobicContact CB-CG2 4.29Å; L271-I317 HydrophobicContact CD2-CB 4.14Å; L271-I317 HydrophobicContact CD2-CG2 4.15Å; L271-I317 PolarHBondContact N-O 3.45Å; I295-I317 HydrophobicContact CD1-CD1 4.45Å; I295-I317 HydrophobicContact CD1-CG1 4.22Å; I295-I317 HydrophobicContact CD1-CG2 4.34Å; I295-I317 HydrophobicContact CG1-CD1 4.15Å; I295-I317 HydrophobicContact CG1-CG1 4.42Å; I295-I317 HydrophobicContact CG1-CG2 4.36Å; L312-I317 HydrophobicContact CD1-CD1 3.82Å; P314-I317 PolarHBondContact O-N 3.34Å; I317-I325 HydrophobicContact CG2-CB 3.63Å; I317-I325 HydrophobicContact CG2-CD1 4.28Å; I317-I325 HydrophobicContact CG2-CG1 3.94Å; I317-I325 HydrophobicContact CG2-CG2 3.87Å; I317-I327 HydrophobicContact CD1-CB 4.37Å; I317-I327 HydrophobicContact CD1-CG1 3.83Å; I317-L374 HydrophobicContact CD1-CD1 4.46Å; I317-L374 HydrophobicContact CG1-CD1 3.88Å
318L97.9Very high97.2Very high39 Ų3925.5 Ų25.520%0.20412%0.115CC..EExtended strand (participates in β ladder)trans-113.6146.4-173.7-52-179.7000110.8M266 G269 D270 I325 R326 S328M266-L318 HydrophobicContact CB-CB 3.43Å; M266-L318 VanDerWaalsContact CB-CB 3.43Å; M266-L318 HydrophobicContact CB-CD1 3.92Å; M266-L318 HydrophobicContact CB-CG 4.33Å; M266-L318 HydrophobicContact CE-CB 4.32Å; M266-L318 WeakPolarHBondContact CE-O 3.22Å; M266-L318 HydrophobicContact CG-CB 3.72Å; M266-L318 HydrophobicContact CG-CD1 3.98Å; G269-L318 WeakPolarHBondContact O-CA 3.28Å; D270-L318 HydrophobicContact CB-CD2 3.63Å; L318-I325 CarbonylContact O-C 3.53Å; L318-I325 WeakPolarHBondContact O-CA 3.38Å; L318-R326 PolarHBondContact N-O 3.34Å; L318-R326 PolarHBondContact O-N 3.45Å; L318-S328 WeakPolarHBondContact CD1-OG 3.37Å; L318-S328 WeakPolarHBondContact CG-OG 3.21Å
319L97.7Very high97Very high0 Ų028 Ų280%013%0.129CC..EExtended strand (participates in β ladder)trans-99.3142.5177.5-74.175.7000111.4M266 N267 G268 G269 L271 Y291 H324 I325 F465 P467M266-L319 CarbonylContact C-O 2.99Å; M266-L319 WeakPolarHBondContact CA-O 3.18Å; M266-L319 WeakPolarHBondContact CB-O 3.36Å; N267-L319 PolarHBondContact N-O 3.49Å; G268-L319 WeakPolarHBondContact CA-O 3.46Å; G268-L319 PolarHBondContact N-O 3.04Å; G269-L319 PolarHBondContact O-N 3.33Å; L271-L319 HydrophobicContact CD1-CD1 4.17Å; Y291-L319 WeakPolarHBondContact OH-CD2 3.14Å; L319-H324 WeakPolarHBondContact CA-O 3.47Å; L319-I325 HydrophobicContact CD1-CG2 3.99Å; L319-I325 HydrophobicContact CG-CG2 3.92Å; L319-F465 HydrophobicContact CD2-CD1 4.09Å; L319-F465 HydrophobicContact CD2-CE1 4.18Å; L319-P467 HydrophobicContact CB-CG 4.46Å; L319-P467 HydrophobicContact CD2-CG 4.3Å
320D95.1Very high96.9Very high23 Ų2328 Ų2812%0.12313%0.129CC..  trans-87.5-171.217073.311.1000112.2M266 Y322 G323 H324 P467M266-D320 HydrophobicContact CE-CB 3.82Å; M266-D320 HydrophobicContact SD-CB 4.16Å; D320-Y322 PolarHBondContact O-N 3.38Å; D320-Y322 WeakPolarHBondContact OD1-CA 3.33Å; D320-Y322 PolarHBondContact OD1-N 2.96Å; D320-G323 PolarHBondContact OD1-N 2.98Å; D320-H324 PolarHBondContact N-O 3.37Å; D320-H324 PolarHBondContact OD1-N 3.28Å; D320-P467 WeakPolarHBondContact O-CG 3.3Å
321D92.1Very high96.6Very high58 Ų5826.7 Ų26.731%0.3113%0.127SC..SBendtrans-70.3-18.4-179.9-70.4-51000113.7R16 N267R16-D321 IonicContact CZ-OD1 2.9Å; R16-D321 IonicContact NE-OD1 2.68Å; R16-D321 PolarHBondContact NE-OD1 3.48Å; R16-D321 IonicContact NH2-OD1 2.64Å; R16-D321 PolarHBondContact NH2-OD1 3.09Å; N267-D321 WeakPolarHBondContact CB-OD1 3.29Å; N267-D321 PolarHBondContact ND2-OD1 3.43Å; N267-D321 PolarHBondContact ND2-OD2 3.37Å
322Y94.4Very high96.5Very high168 Ų16828.2 Ų28.266%0.65914%0.135SC*.SBendtrans-100.1-9.3-178.2-57.7-75.7000112.3D320 P463D320-Y322 PolarHBondContact O-N 3.38Å; D320-Y322 WeakPolarHBondContact OD1-CA 3.33Å; D320-Y322 PolarHBondContact OD1-N 2.96Å; Y322-P463 WeakPolarHBondContact O-CG 3.34Å
323G96.6Very high96.4Very high0 Ų027.9 Ų27.90%013%0.133CC..SBendtrans97.33.1177.700000114.6Y291 D320 F465Y291-G323 WeakPolarHBondContact CE1-O 3.35Å; D320-G323 PolarHBondContact OD1-N 2.98Å; G323-F465 WeakPolarHBondContact CA-O 3.15Å
324H98.2Very high96.4Very high38 Ų3828.4 Ų28.418%0.17614%0.139CC..  trans-74.9146.4172.2-67.8-77.2000110.6E294 L319 D320 L461 P463E294-H324 IonicContact OE1-CE1 2.69Å; E294-H324 IonicContact OE1-CG 3.39Å; E294-H324 IonicContact OE1-ND1 2.94Å; E294-H324 PolarHBondContact OE1-ND1 3.14Å; L319-H324 WeakPolarHBondContact CA-O 3.47Å; D320-H324 PolarHBondContact N-O 3.37Å; D320-H324 PolarHBondContact OD1-N 3.28Å; H324-L461 PolarHBondContact CE1-O 2.87Å; H324-L461 VanDerWaalsContact CE1-O 3.31Å; H324-P463 VanDerWaalsContact CE1-CG 3.48Å; H324-P463 WeakPolarHBondContact CE1-CG 3.25Å
325I98.4Very high96.3Very high0 Ų033 Ų330%016%0.159CC..EExtended strand (participates in β ladder)trans-94.4158.2177.768.365.1000113Y291 E294 I295 I317 L318 L319Y291-I325 HydrophobicContact CD1-CG1 4.41Å; Y291-I325 HydrophobicContact CD1-CG2 3.52Å; Y291-I325 HydrophobicContact CE1-CG2 3.78Å; Y291-I325 HydrophobicContact CG-CG2 3.96Å; E294-I325 HydrophobicContact CB-CD1 3.48Å; E294-I325 VanDerWaalsContact CB-CD1 3.48Å; E294-I325 HydrophobicContact CB-CG1 3.65Å; E294-I325 WeakPolarHBondContact OE2-CG1 2.97Å; E294-I325 PolarHBondContact OE2-N 2.71Å; I295-I325 HydrophobicContact CG1-CD1 3.76Å; I295-I325 HydrophobicContact CG1-CG1 4.17Å; I317-I325 HydrophobicContact CG2-CB 3.63Å; I317-I325 HydrophobicContact CG2-CD1 4.28Å; I317-I325 HydrophobicContact CG2-CG1 3.94Å; I317-I325 HydrophobicContact CG2-CG2 3.87Å; L318-I325 CarbonylContact O-C 3.53Å; L318-I325 WeakPolarHBondContact O-CA 3.38Å; L319-I325 HydrophobicContact CD1-CG2 3.99Å; L319-I325 HydrophobicContact CG-CG2 3.92Å
326R98.6Very high96.3Very high39 Ų3930.1 Ų30.115%0.14715%0.145CC..EExtended strand (participates in β ladder)trans-139.5143.2162.3-59-177.4-177.2-115.3-6.8111.3S243 Q244 F245 V246 V247 N248 M266 L318S243-R326 PolarHBondContact O-NH1 3.44Å; Q244-R326 WeakPolarHBondContact O-CG 3.34Å; Q244-R326 PolarHBondContact O-NE 3.32Å; Q244-R326 PolarHBondContact O-NH1 3.2Å; Q244-R326 PolarHBondContact O-NH2 2.78Å; F245-R326 CarbonylContact O-C 3.55Å; F245-R326 VanDerWaalsContact O-CA 3.3Å; F245-R326 WeakPolarHBondContact O-CA 3.4Å; V246-R326 PolarHBondContact O-NH1 3.24Å; V247-R326 HydrophobicContact CG1-CB 4.01Å; N248-R326 PolarHBondContact ND2-NH1 3.25Å; N248-R326 VanDerWaalsContact ND2-NH1 3.15Å; M266-R326 HydrophobicContact CE-CB 3.69Å; M266-R326 HydrophobicContact CE-CG 3.53Å; M266-R326 HydrophobicContact SD-CB 4.27Å; M266-R326 HydrophobicContact SD-CG 4.05Å; L318-R326 PolarHBondContact N-O 3.34Å; L318-R326 PolarHBondContact O-N 3.45Å
327I98.7Very high96.2Very high0 Ų033.2 Ų33.20%017%0.166CC..EExtended strand (participates in β ladder)trans-67.4134.1166.4-57.4173.8000108.7F245 V246 V247 L299 L302 Y309 L312 I317F245-I327 PolarHBondContact O-N 2.99Å; V246-I327 HydrophobicContact CG2-CB 4.41Å; V247-I327 PolarHBondContact N-O 2.71Å; L299-I327 HydrophobicContact CD2-CD1 3.99Å; L299-I327 HydrophobicContact CG-CD1 4.2Å; L302-I327 HydrophobicContact CD1-CD1 4.5Å; Y309-I327 HydrophobicContact CD1-CG2 4.18Å; Y309-I327 HydrophobicContact CD2-CG2 4.08Å; Y309-I327 HydrophobicContact CE1-CG2 3.72Å; Y309-I327 HydrophobicContact CE2-CG2 3.64Å; Y309-I327 HydrophobicContact CG-CG2 4.35Å; Y309-I327 VanDerWaalsContact CZ-CG2 3.47Å; L312-I327 HydrophobicContact CD1-CD1 4.48Å; I317-I327 HydrophobicContact CD1-CB 4.37Å; I317-I327 HydrophobicContact CD1-CG1 3.83Å
328S96.8Very high95.8Very high13 Ų1342.2 Ų42.29%0.09121%0.208CC..  trans-129.9175.7179.972.60000112.1Y309 N316 L318Y309-S328 PolarHBondContact OH-O 3.37Å; N316-S328 PolarHBondContact O-N 3Å; N316-S328 PolarHBondContact O-OG 2.91Å; L318-S328 WeakPolarHBondContact CD1-OG 3.37Å; L318-S328 WeakPolarHBondContact CG-OG 3.21Å
329D93.9Very high95.4Very high54 Ų5444.5 Ų44.529%0.28924%0.241SC..  trans52.178.1179.2-158.711.5000114.8K215 Y309 G331K215-D329 IonicContact NZ-OD1 3.51Å; K215-D329 PolarHBondContact NZ-OD1 2.57Å; Y309-D329 WeakPolarHBondContact CE2-O 3.37Å; D329-G331 PolarHBondContact O-N 3.4Å
330L95.7Very high95.3Very high0 Ų048.4 Ų48.40%026%0.262CS..G310 helixtrans-8820.1-178.4-73.673.9000112.4E234 I237 L238 V246 L302 Y309 L332 A333E234-L330 HydrophobicContact CG-CB 4.25Å; E234-L330 PolarHBondContact OE1-N 3.12Å; I237-L330 HydrophobicContact CB-CD2 4.46Å; I237-L330 HydrophobicContact CG2-CD2 3.52Å; L238-L330 HydrophobicContact CD2-CD1 3.86Å; L238-L330 HydrophobicContact CD2-CD2 4.16Å; L238-L330 HydrophobicContact CD2-CG 4.48Å; L238-L330 HydrophobicContact CG-CD1 4.48Å; L238-L330 HydrophobicContact CG-CD2 4.4Å; V246-L330 HydrophobicContact CG1-CD1 4.03Å; V246-L330 HydrophobicContact CG1-CD2 4.2Å; L302-L330 HydrophobicContact CD2-CD2 4.02Å; Y309-L330 HydrophobicContact CD2-CG 4.32Å; Y309-L330 HydrophobicContact CE2-CD1 4.49Å; Y309-L330 HydrophobicContact CE2-CG 4.2Å; L330-L332 PolarHBondContact O-N 3.32Å; L330-A333 HydrophobicContact CB-CB 4.02Å; L330-A333 HydrophobicContact CG-CB 4.42Å; L330-A333 WeakPolarHBondContact O-CB 3.38Å; L330-A333 PolarHBondContact O-N 3.42Å
331G91.9Very high95.4Very high11 Ų1151 Ų5111%0.11328%0.275CS..G310 helixtrans-59.6-28.5-177.300000114.3M230 D329M230-G331 VanDerWaalsContact CG-O 3.28Å; M230-G331 WeakPolarHBondContact CG-O 3.4Å; D329-G331 PolarHBondContact O-N 3.4Å
332L95.2Very high95.7Very high42 Ų4249.4 Ų49.422%0.2227%0.267CS..G310 helixtrans-100.8-3.4176.6-61.1-174.1000113.7M230 Y309 R310 D311 L330M230-L332 HydrophobicContact CE-CD2 4.19Å; Y309-L332 CarbonylContact O-C 3.51Å; R310-L332 PolarHBondContact NE-O 3.47Å; R310-L332 PolarHBondContact NH2-O 3.28Å; D311-L332 HydrophobicContact CB-CB 4.32Å; D311-L332 HydrophobicContact CB-CD1 4.02Å; L330-L332 PolarHBondContact O-N 3.32Å
333A97.3Very high95.8Very high0 Ų049.3 Ų49.30%027%0.265CS..  trans-67.8147.5178.800000110.7N233 I237 T307 V308 Y309 L330N233-A333 PolarHBondContact ND2-O 3.21Å; I237-A333 HydrophobicContact CD1-CB 3.74Å; I237-A333 WeakPolarHBondContact CD1-O 3.4Å; T307-A333 HydrophobicContact CG2-CB 4.15Å; V308-A333 CarbonylContact O-C 3.59Å; V308-A333 WeakPolarHBondContact O-CA 3.48Å; Y309-A333 HydrophobicContact CD2-CB 4.34Å; Y309-A333 WeakPolarHBondContact O-CA 3.41Å; Y309-A333 PolarHBondContact O-N 2.86Å; L330-A333 HydrophobicContact CB-CB 4.02Å; L330-A333 HydrophobicContact CG-CB 4.42Å; L330-A333 WeakPolarHBondContact O-CB 3.38Å; L330-A333 PolarHBondContact O-N 3.42Å
334V96.4Very high95.7Very high38 Ų3850.1 Ų50.123%0.2327%0.273CS..EExtended strand (participates in β ladder)trans-140.4133.4177.7160.90000110T307 V308 I336 I342T307-V334 WeakPolarHBondContact CA-O 3.49Å; V308-V334 PolarHBondContact N-O 3.34Å; V308-V334 PolarHBondContact O-N 3.35Å; V334-I336 PolarHBondContact O-N 3.32Å; V334-I342 HydrophobicContact CB-CD1 4.21Å; V334-I342 HydrophobicContact CG1-CD1 3.98Å; V334-I342 HydrophobicContact CG1-CG2 4.37Å
335K95.9Very high95.7Very high97 Ų9753.2 Ų53.242%0.42228%0.284SS..EExtended strand (participates in β ladder)trans-73.4118.4166.2-174.7160.4-173.4148.80109.5E305 N306E305-K335 VanDerWaalsContact O-CE 3.23Å; E305-K335 WeakPolarHBondContact O-CE 3.45Å; E305-K335 PolarHBondContact O-NZ 3.11Å; E305-K335 IonicContact OE2-NZ 3.58Å; E305-K335 PolarHBondContact OE2-NZ 2.94Å; N306-K335 CarbonylContact O-C 3.53Å
336I95.9Very high95.5Very high3 Ų355.5 Ų55.52%0.01530%0.297CS..PPolyproline II helixtrans-80.3133.7174.8-54.2-175.5000107.4N306 V308 V334 D340 I342 L364N306-I336 PolarHBondContact ND2-O 3.26Å; N306-I336 PolarHBondContact O-N 2.73Å; V308-I336 HydrophobicContact CB-CD1 4.04Å; V308-I336 HydrophobicContact CG1-CD1 3.8Å; V308-I336 HydrophobicContact CG1-CG1 3.97Å; V334-I336 PolarHBondContact O-N 3.32Å; I336-D340 WeakPolarHBondContact CG2-O 3.43Å; I336-I342 HydrophobicContact CB-CG2 4.48Å; I336-I342 HydrophobicContact CD1-CG1 4.31Å; I336-I342 HydrophobicContact CG1-CD1 4.33Å; I336-I342 HydrophobicContact CG1-CG1 4.4Å; I336-I342 HydrophobicContact CG1-CG2 4.08Å; I336-I342 HydrophobicContact CG2-CG2 4.23Å; I336-L364 HydrophobicContact CD1-CD2 4.13Å
337P94.6Very high95.4Very high75 Ų7554.7 Ų54.749%0.48730%0.301SS..PPolyproline II helixtrans-62.5146.1169.1-20.532.8000111N306 G339 D340N306-P337 PolarHBondContact ND2-O 2.89Å; P337-G339 PolarHBondContact O-N 2.6Å; P337-D340 HydrophobicContact CB-CB 4Å; P337-D340 HydrophobicContact CG-CB 4.43Å; P337-D340 WeakPolarHBondContact O-CB 3.39Å; P337-D340 PolarHBondContact O-N 2.72Å; P337-D340 VanDerWaalsContact O-N 3.11Å
338E91Very high95.2Very high189 Ų18956.7 Ų56.788%0.88331%0.313SS*.THydrogen-bonded Turntrans-60.6134.8-178.4-170.6171.4-17500111.4D340E338-D340 PolarHBondContact O-N 2.72Å
339G90Very high95.1Very high87 Ų8758 Ų5890%0.89732%0.321SS*.THydrogen-bonded Turntrans741.9-176.600000115.3P337P337-G339 PolarHBondContact O-N 2.6Å
340D95.6Very high95.2Very high81 Ų8155.6 Ų55.643%0.43331%0.308SS..  trans-109.9164.8-174.4-116.3-28.4000113.4I336 P337 E338 R361I336-D340 WeakPolarHBondContact CG2-O 3.43Å; P337-D340 HydrophobicContact CB-CB 4Å; P337-D340 HydrophobicContact CG-CB 4.43Å; P337-D340 WeakPolarHBondContact O-CB 3.39Å; P337-D340 PolarHBondContact O-N 2.72Å; P337-D340 VanDerWaalsContact O-N 3.11Å; E338-D340 PolarHBondContact O-N 2.72Å; D340-R361 IonicContact OD1-NH2 2.83Å; D340-R361 PolarHBondContact OD1-NH2 3.25Å
341L96.8Very high95.3Very high78 Ų7856.9 Ų56.941%0.40831%0.314SS..  trans-123.4146.4171.4-58.4175.6000110.4R361L341-R361 HydrophobicContact CB-CB 3.84Å; L341-R361 HydrophobicContact CD1-CB 4.03Å; L341-R361 VanDerWaalsContact N-NH2 3.19Å; L341-R361 VanDerWaalsContact O-CZ 3.31Å; L341-R361 PolarHBondContact O-NE 2.64Å; L341-R361 VanDerWaalsContact O-NE 3.13Å; L341-R361 PolarHBondContact O-NH2 3.14Å
342I97.1Very high95.6Very high25 Ų2556.8 Ų56.813%0.12831%0.31CS..EExtended strand (participates in β ladder)trans-99.5163177.364.1169000111.6V308 V334 I336 R361 Y362V308-I342 HydrophobicContact CG1-CD1 3.66Å; V334-I342 HydrophobicContact CB-CD1 4.21Å; V334-I342 HydrophobicContact CG1-CD1 3.98Å; V334-I342 HydrophobicContact CG1-CG2 4.37Å; I336-I342 HydrophobicContact CB-CG2 4.48Å; I336-I342 HydrophobicContact CD1-CG1 4.31Å; I336-I342 HydrophobicContact CG1-CD1 4.33Å; I336-I342 HydrophobicContact CG1-CG1 4.4Å; I336-I342 HydrophobicContact CG1-CG2 4.08Å; I336-I342 HydrophobicContact CG2-CG2 4.23Å; I342-R361 CarbonylContact O-C 3.51Å; I342-R361 VanDerWaalsContact O-CA 3.25Å; I342-R361 WeakPolarHBondContact O-CA 3.46Å; I342-Y362 HydrophobicContact CD1-CD2 4.47Å; I342-Y362 HydrophobicContact CD1-CE2 3.68Å; I342-Y362 HydrophobicContact CG1-CD2 3.97Å; I342-Y362 HydrophobicContact CG1-CE2 3.56Å; I342-Y362 PolarHBondContact N-O 3.1Å; I342-Y362 PolarHBondContact O-N 3.1Å
343R96.9Very high95.8Very high165 Ų16554.8 Ų54.862%0.62330%0.3SS*.EExtended strand (participates in β ladder)trans-130.6135.5172.4173.9178.7-99.2172.1-6.8109N359 R361R343-N359 WeakPolarHBondContact CG-OD1 3.34Å; R343-N359 PolarHBondContact NE-O 3.43Å; R343-N359 PolarHBondContact NH2-O 3.15Å; R343-R361 HydrophobicContact CB-CG 4.4Å
344G95.4Very high95.8Very high17 Ų1755.1 Ų55.118%0.17530%0.302CS..  trans167.9129.5173.300000111.9V346 Y362G344-V346 PolarHBondContact O-N 3.04Å; G344-Y362 WeakPolarHBondContact O-CE1 3.42Å; G344-Y362 PolarHBondContact O-OH 2.8Å
345R97Very high95.9Very high104 Ų10453.6 Ų53.639%0.39229%0.292SS..  trans-86.280.6176.6-170.4-179.7-173.5-133.6-4.9110.3M352 D398R345-M352 HydrophobicContact CG-SD 4.4Å; R345-D398 IonicContact CZ-OD2 3.51Å; R345-D398 VanDerWaalsContact NH2-CG 3.33Å; R345-D398 IonicContact NH2-OD1 2.8Å; R345-D398 IonicContact NH2-OD2 2.71Å; R345-D398 PolarHBondContact NH2-OD2 3.49Å
346V95.6Very high96.1Very high47 Ų4749.1 Ų49.129%0.28527%0.273SS..  trans-127155.7179-60.10000110.4R310 G344R310-V346 HydrophobicContact CB-CG2 4.48Å; G344-V346 PolarHBondContact O-N 3.04Å
347G95.7Very high96.2Very high23 Ų2349.8 Ų49.824%0.23728%0.277CS..SBendtrans125-178.8-178.100000112.1
348T95.5Very high96.3Very high41 Ų4150.2 Ų50.225%0.25228%0.275SS..  trans-90.9136.8-177.6-60.10000111.4D311 K313 G350 Y351 M352D311-T348 PolarHBondContact OD1-N 2.99Å; D311-T348 PolarHBondContact OD1-OG1 3.13Å; K313-T348 HydrophobicContact CD-CG2 4.03Å; K313-T348 WeakPolarHBondContact CD-OG1 3.47Å; K313-T348 PolarHBondContact NZ-OG1 3.47Å; T348-G350 PolarHBondContact O-N 3.36Å; T348-Y351 HydrophobicContact CG2-CD2 3.85Å; T348-Y351 HydrophobicContact CG2-CE2 4.26Å; T348-Y351 PolarHBondContact O-N 3.49Å; T348-M352 PolarHBondContact O-N 2.98Å
349V94.8Very high96.6Very high42 Ų4244.5 Ų44.526%0.25525%0.25SS..THydrogen-bonded Turntrans-57.3130.1178.3178.30000110M352 R394 V397V349-M352 HydrophobicContact CG2-CE 4.2Å; V349-R394 HydrophobicContact CG1-CG 4.06Å; V349-R394 HydrophobicContact CG2-CG 3.84Å; V349-V397 HydrophobicContact CG1-CB 3.98Å; V349-V397 HydrophobicContact CG1-CG1 3.92Å
350G94.8Very high97Very high2 Ų244.9 Ų44.92%0.02123%0.229CC..THydrogen-bonded Turntrans92.3-17.2-174.900000114.8T348T348-G350 PolarHBondContact O-N 3.36Å
351Y97.7Very high97.1Very high28 Ų2847.3 Ų47.311%0.1123%0.232CC..THydrogen-bonded Turntrans-113.2-12.4177.9-58.7-90.5000113L312 K313 P314 T348 A353 W369 C373 E377L312-Y351 WeakPolarHBondContact O-CD1 3.32Å; K313-Y351 HydrophobicContact CB-CD1 4.05Å; K313-Y351 HydrophobicContact CB-CD2 4.12Å; K313-Y351 HydrophobicContact CB-CE1 4.02Å; K313-Y351 HydrophobicContact CB-CE2 4.06Å; K313-Y351 HydrophobicContact CB-CG 4.11Å; P314-Y351 WeakPolarHBondContact CD-OH 3.12Å; T348-Y351 HydrophobicContact CG2-CD2 3.85Å; T348-Y351 HydrophobicContact CG2-CE2 4.26Å; T348-Y351 PolarHBondContact O-N 3.49Å; Y351-A353 PolarHBondContact O-N 3.48Å; Y351-W369 VanDerWaalsContact O-CD1 3.22Å; Y351-W369 PolarHBondContact O-NE1 2.72Å; Y351-C373 HydrophobicContact CD1-CB 3.82Å; Y351-C373 HydrophobicContact CE1-CB 4.25Å; Y351-E377 VanDerWaalsContact CE1-OE2 3.28Å; Y351-E377 WeakPolarHBondContact CE1-OE2 3.42Å; Y351-E377 VanDerWaalsContact CZ-OE2 3.28Å; Y351-E377 VanDerWaalsContact OH-CD 3.22Å; Y351-E377 PolarHBondContact OH-OE1 3.35Å; Y351-E377 PolarHBondContact OH-OE2 3.31Å
352M98.4Very high97.2Very high8 Ų843.8 Ų43.84%0.03921%0.213CC..SBendtrans-68.2127.1174-72.6-179.9-7500110.6R345 T348 V349 V356 L357R345-M352 HydrophobicContact CG-SD 4.4Å; T348-M352 PolarHBondContact O-N 2.98Å; V349-M352 HydrophobicContact CG2-CE 4.2Å; M352-V356 HydrophobicContact CB-CB 4.46Å; M352-V356 HydrophobicContact CB-CG1 4.3Å; M352-V356 HydrophobicContact CG-CG1 4.26Å; M352-V356 HydrophobicContact SD-CG1 4.33Å; M352-L357 HydrophobicContact CB-CD2 3.87Å; M352-L357 HydrophobicContact CB-CG 4.09Å; M352-L357 HydrophobicContact CE-CD2 3.74Å; M352-L357 HydrophobicContact SD-CD2 4.07Å
353A98.6Very high97.2Very high1 Ų143.3 Ų43.31%0.00822%0.215CC..  trans-64.8156.2177.100000112.7Y351 E355 V356 L357 P366 W369Y351-A353 PolarHBondContact O-N 3.48Å; A353-E355 VanDerWaalsContact C-N 3.32Å; A353-E355 WeakPolarHBondContact CB-OE2 3.3Å; A353-E355 PolarHBondContact O-N 3.13Å; A353-V356 HydrophobicContact CB-CG2 4.26Å; A353-V356 WeakPolarHBondContact O-CA 3.46Å; A353-V356 WeakPolarHBondContact O-CB 3.35Å; A353-V356 PolarHBondContact O-N 3.19Å; A353-L357 PolarHBondContact O-N 3.03Å; A353-P366 HydrophobicContact CB-CB 4.19Å; A353-W369 HydrophobicContact CB-CB 3.67Å; A353-W369 HydrophobicContact CB-CD2 4.04Å; A353-W369 HydrophobicContact CB-CG 3.52Å
354P98.7Very high97.3Very high6 Ų637.6 Ų37.64%0.03920%0.196CC..Hα-helixtrans-52.3-42.9179.5-3239.5000114.5V356 L357 N358 W369 V401 L402 K426P354-V356 VanDerWaalsContact C-N 3.27Å; P354-V356 PolarHBondContact O-N 2.68Å; P354-L357 PolarHBondContact O-N 2.68Å; P354-N358 WeakPolarHBondContact O-CB 3.48Å; P354-N358 VanDerWaalsContact O-CG 3.31Å; P354-N358 PolarHBondContact O-N 2.9Å; P354-N358 PolarHBondContact O-ND2 2.68Å; P354-W369 HydrophobicContact CG-CE3 4.28Å; P354-W369 HydrophobicContact CG-CH2 3.89Å; P354-W369 HydrophobicContact CG-CZ2 4.43Å; P354-W369 HydrophobicContact CG-CZ3 3.78Å; P354-V401 HydrophobicContact CG-CG1 4.09Å; P354-L402 HydrophobicContact CB-CD2 3.9Å; P354-K426 HydrophobicContact CG-CB 4.07Å; P354-K426 HydrophobicContact CG-CG 4.33Å
355E98.6Very high97.4Very high6 Ų637.4 Ų37.43%0.02819%0.192CC..Hα-helixtrans-65.6-28.9178.467.2-87.4-153.500112.9A353 N359 Q360 S365 A428 R431A353-E355 VanDerWaalsContact C-N 3.32Å; A353-E355 WeakPolarHBondContact CB-OE2 3.3Å; A353-E355 PolarHBondContact O-N 3.13Å; E355-N359 PolarHBondContact O-N 3.19Å; E355-Q360 HydrophobicContact CB-CB 4.22Å; E355-Q360 WeakPolarHBondContact O-CB 3.25Å; E355-Q360 PolarHBondContact O-N 3.03Å; E355-S365 WeakPolarHBondContact OE1-CB 3.45Å; E355-S365 PolarHBondContact OE1-OG 2.74Å; E355-A428 HydrophobicContact CG-CB 4.46Å; E355-R431 IonicContact OE1-CZ 2.83Å; E355-R431 IonicContact OE1-NH1 3.86Å; E355-R431 PolarHBondContact OE1-NH1 3.43Å; E355-R431 IonicContact OE1-NH2 3.25Å; E355-R431 IonicContact OE2-CZ 2.64Å; E355-R431 IonicContact OE2-NH1 2.63Å; E355-R431 PolarHBondContact OE2-NH1 3.16Å; E355-R431 IonicContact OE2-NH2 2.73Å; E355-R431 PolarHBondContact OE2-NH2 2.86Å
356V98.6Very high97.5Very high4 Ų432.9 Ų32.92%0.02418%0.176CC..Hα-helixtrans-73.7-43.9174.4179.90000110.2M352 A353 P354 N359 Y362 P366M352-V356 HydrophobicContact CB-CB 4.46Å; M352-V356 HydrophobicContact CB-CG1 4.3Å; M352-V356 HydrophobicContact CG-CG1 4.26Å; M352-V356 HydrophobicContact SD-CG1 4.33Å; A353-V356 HydrophobicContact CB-CG2 4.26Å; A353-V356 WeakPolarHBondContact O-CA 3.46Å; A353-V356 WeakPolarHBondContact O-CB 3.35Å; A353-V356 PolarHBondContact O-N 3.19Å; P354-V356 VanDerWaalsContact C-N 3.27Å; P354-V356 PolarHBondContact O-N 2.68Å; V356-N359 PolarHBondContact O-N 3.44Å; V356-N359 VanDerWaalsContact O-N 3.13Å; V356-Y362 HydrophobicContact CB-CE1 4.47Å; V356-Y362 HydrophobicContact CG2-CD1 4.03Å; V356-Y362 HydrophobicContact CG2-CE1 3.88Å; V356-Y362 HydrophobicContact CG2-CG 4.47Å; V356-P366 HydrophobicContact CG2-CB 3.89Å; V356-P366 HydrophobicContact CG2-CG 3.64Å
357L98.2Very high97.6Very high17 Ų1730.7 Ų30.79%0.08916%0.163CC..Hα-helixtrans-63.5-41.5177.2-68.7-179.4000112M352 A353 P354 N359 D398 V401 L402M352-L357 HydrophobicContact CB-CD2 3.87Å; M352-L357 HydrophobicContact CB-CG 4.09Å; M352-L357 HydrophobicContact CE-CD2 3.74Å; M352-L357 HydrophobicContact SD-CD2 4.07Å; A353-L357 PolarHBondContact O-N 3.03Å; P354-L357 PolarHBondContact O-N 2.68Å; L357-N359 PolarHBondContact O-N 2.63Å; L357-D398 HydrophobicContact CD1-CB 4.26Å; L357-D398 HydrophobicContact CD2-CB 4.44Å; L357-D398 WeakPolarHBondContact CD2-OD1 3.27Å; L357-V401 HydrophobicContact CD1-CB 3.75Å; L357-V401 HydrophobicContact CD1-CG1 3.5Å; L357-V401 VanDerWaalsContact CD1-CG1 3.5Å; L357-V401 HydrophobicContact CD1-CG2 4.42Å; L357-L402 HydrophobicContact CB-CD2 4.23Å; L357-L402 HydrophobicContact CD1-CD2 4.36Å; L357-L402 HydrophobicContact CD1-CG 4.24Å
358N97.9Very high97.8Very high84 Ų8430 Ų3045%0.44915%0.153SC..THydrogen-bonded Turntrans-75.32.4176.1-69.5-28.2000113.5P354 Q360P354-N358 WeakPolarHBondContact O-CB 3.48Å; P354-N358 VanDerWaalsContact O-CG 3.31Å; P354-N358 PolarHBondContact O-N 2.9Å; P354-N358 PolarHBondContact O-ND2 2.68Å; N358-Q360 HydrophobicContact CB-CG 3.89Å; N358-Q360 PolarHBondContact O-N 3.34Å
359N97.6Very high98Very high68 Ų6828.1 Ų28.136%0.36414%0.141SC..THydrogen-bonded Turntrans5336.9-179.6-164.641000112.8R343 E355 V356 L357R343-N359 WeakPolarHBondContact CG-OD1 3.34Å; R343-N359 PolarHBondContact NE-O 3.43Å; R343-N359 PolarHBondContact NH2-O 3.15Å; E355-N359 PolarHBondContact O-N 3.19Å; V356-N359 PolarHBondContact O-N 3.44Å; V356-N359 VanDerWaalsContact O-N 3.13Å; L357-N359 PolarHBondContact O-N 2.63Å
360Q98.2Very high98.1Very high95 Ų9526.2 Ų26.244%0.44413%0.13SC..  trans-78168.5174.8-63.2175.3-4.900110E355 N358 Y362E355-Q360 HydrophobicContact CB-CB 4.22Å; E355-Q360 WeakPolarHBondContact O-CB 3.25Å; E355-Q360 PolarHBondContact O-N 3.03Å; N358-Q360 HydrophobicContact CB-CG 3.89Å; N358-Q360 PolarHBondContact O-N 3.34Å; Q360-Y362 WeakPolarHBondContact O-CD1 3.48Å
361R98.1Very high98.3Very high132 Ų13226.1 Ų26.150%0.49813%0.129SC..EExtended strand (participates in β ladder)trans-78.2137.3166.8-71.4-173.579.8-161.37.7108.3D340 L341 I342 R343D340-R361 IonicContact OD1-NH2 2.83Å; D340-R361 PolarHBondContact OD1-NH2 3.25Å; L341-R361 HydrophobicContact CB-CB 3.84Å; L341-R361 HydrophobicContact CD1-CB 4.03Å; L341-R361 VanDerWaalsContact N-NH2 3.19Å; L341-R361 VanDerWaalsContact O-CZ 3.31Å; L341-R361 PolarHBondContact O-NE 2.64Å; L341-R361 VanDerWaalsContact O-NE 3.13Å; L341-R361 PolarHBondContact O-NH2 3.14Å; I342-R361 CarbonylContact O-C 3.51Å; I342-R361 VanDerWaalsContact O-CA 3.25Å; I342-R361 WeakPolarHBondContact O-CA 3.46Å; R343-R361 HydrophobicContact CB-CG 4.4Å
362Y98.1Very high98.4Very high5 Ų524.8 Ų24.82%0.0212%0.124CC..EExtended strand (participates in β ladder)trans-141156.5-178.457.6-99.6000111.3R310 I342 G344 V356 Q360 P366R310-Y362 WeakPolarHBondContact CD-OH 3.43Å; R310-Y362 PolarHBondContact NH1-OH 3.38Å; I342-Y362 HydrophobicContact CD1-CD2 4.47Å; I342-Y362 HydrophobicContact CD1-CE2 3.68Å; I342-Y362 HydrophobicContact CG1-CD2 3.97Å; I342-Y362 HydrophobicContact CG1-CE2 3.56Å; I342-Y362 PolarHBondContact N-O 3.1Å; I342-Y362 PolarHBondContact O-N 3.1Å; G344-Y362 WeakPolarHBondContact O-CE1 3.42Å; G344-Y362 PolarHBondContact O-OH 2.8Å; V356-Y362 HydrophobicContact CB-CE1 4.47Å; V356-Y362 HydrophobicContact CG2-CD1 4.03Å; V356-Y362 HydrophobicContact CG2-CE1 3.88Å; V356-Y362 HydrophobicContact CG2-CG 4.47Å; Q360-Y362 WeakPolarHBondContact O-CD1 3.48Å; Y362-P366 HydrophobicContact CD2-CG 3.52Å; Y362-P366 HydrophobicContact CE2-CG 3.98Å; Y362-P366 HydrophobicContact CG-CG 3.92Å
363G97.4Very high98.4Very high15 Ų1524.4 Ų24.416%0.15512%0.122CC..SBendtrans-102.4-120.1174.200000109.9
364L97.8Very high98.4Very high44 Ų4424.3 Ų24.323%0.2312%0.122CC..SBendtrans-89.2-7.9-178.8-54173.9000113.4H303 V308 I336 D367H303-L364 HydrophobicContact CB-CD1 3.77Å; V308-L364 HydrophobicContact CB-CD2 4.06Å; I336-L364 HydrophobicContact CD1-CD2 4.13Å; L364-D367 PolarHBondContact O-N 3.17Å; L364-D367 VanDerWaalsContact O-N 3.16Å
365S98.4Very high98.4Very high14 Ų1424 Ų2410%0.09812%0.12CC..Hα-helixtrans-54.3-33.2-174.363.20000116.4E355 D367 Y368 W369 R431 C434E355-S365 WeakPolarHBondContact OE1-CB 3.45Å; E355-S365 PolarHBondContact OE1-OG 2.74Å; S365-D367 PolarHBondContact O-N 3.4Å; S365-Y368 PolarHBondContact O-N 3.46Å; S365-W369 PolarHBondContact O-N 3.09Å; S365-R431 PolarHBondContact O-NH1 3.05Å; S365-C434 WeakPolarHBondContact CB-SG 3.48Å
366P98.8Very high98.4Very high9 Ų924.2 Ų24.26%0.05812%0.12CC..Hα-helixtrans-63.9-25179.8-24.336.9000114A353 V356 Y362 G370A353-P366 HydrophobicContact CB-CB 4.19Å; V356-P366 HydrophobicContact CG2-CB 3.89Å; V356-P366 HydrophobicContact CG2-CG 3.64Å; Y362-P366 HydrophobicContact CD2-CG 3.52Å; Y362-P366 HydrophobicContact CE2-CG 3.98Å; Y362-P366 HydrophobicContact CG-CG 3.92Å; P366-G370 PolarHBondContact O-N 3.39Å
367D98.8Very high98.4Very high1 Ų124.2 Ų24.21%0.00512%0.12CC..Hα-helixtrans-74.4-36.8-178.2-68.4-16.8000111.7L299 H303 V308 Y309 R310 L364 S365 G370 L371L299-D367 HydrophobicContact CD1-CB 4.12Å; L299-D367 HydrophobicContact CD2-CB 3.84Å; H303-D367 IonicContact CD2-OD2 2.72Å; H303-D367 IonicContact CE1-OD2 2.77Å; H303-D367 IonicContact NE2-OD2 3.92Å; H303-D367 PolarHBondContact NE2-OD2 2.86Å; V308-D367 WeakPolarHBondContact CG2-OD2 3.32Å; Y309-D367 PolarHBondContact N-OD1 3.48Å; Y309-D367 PolarHBondContact N-OD2 3.26Å; R310-D367 PolarHBondContact N-OD1 3.36Å; L364-D367 PolarHBondContact O-N 3.17Å; L364-D367 VanDerWaalsContact O-N 3.16Å; S365-D367 PolarHBondContact O-N 3.4Å; D367-G370 PolarHBondContact O-N 2.71Å; D367-L371 PolarHBondContact O-N 2.95Å
368Y98.9Very high98.4Very high9 Ų923.4 Ų23.44%0.03512%0.116CC..Hα-helixtrans-67.5-35.6173.8-64.4-68.3000112.4L296 H303 S365 L371 G372 L423 G433 A439 V442L296-Y368 HydrophobicContact CD1-CE1 4.12Å; H303-Y368 AromaticContact CE1-CE2 3.8Å; H303-Y368 AromaticContact CE1-CZ 3.91Å; H303-Y368 AromaticContact ND1-CE2 3.95Å; H303-Y368 AromaticContact ND1-CZ 3.82Å; H303-Y368 PolarHBondContact ND1-OH 3.45Å; S365-Y368 PolarHBondContact O-N 3.46Å; Y368-L371 WeakPolarHBondContact O-CB 3.32Å; Y368-L371 PolarHBondContact O-N 2.96Å; Y368-G372 PolarHBondContact O-N 3.37Å; Y368-L423 HydrophobicContact CD1-CD2 4.47Å; Y368-G433 WeakPolarHBondContact CE2-O 3.49Å; Y368-G433 VanDerWaalsContact CZ-O 3.25Å; Y368-G433 PolarHBondContact OH-O 3.5Å; Y368-A439 PolarHBondContact OH-N 2.73Å; Y368-V442 HydrophobicContact CD1-CG2 4.04Å; Y368-V442 HydrophobicContact CE1-CG2 3.83Å
369W98.9Very high98.5Very high0 Ų019.5 Ų19.50%010%0.095CC..Hα-helixtrans-60.3-47.5169.2172.1-84.3000111.1Y351 A353 P354 S365 L371 G372 C373 F385 V401 L424 K426Y351-W369 VanDerWaalsContact O-CD1 3.22Å; Y351-W369 PolarHBondContact O-NE1 2.72Å; A353-W369 HydrophobicContact CB-CB 3.67Å; A353-W369 HydrophobicContact CB-CD2 4.04Å; A353-W369 HydrophobicContact CB-CG 3.52Å; P354-W369 HydrophobicContact CG-CE3 4.28Å; P354-W369 HydrophobicContact CG-CH2 3.89Å; P354-W369 HydrophobicContact CG-CZ2 4.43Å; P354-W369 HydrophobicContact CG-CZ3 3.78Å; S365-W369 PolarHBondContact O-N 3.09Å; W369-L371 PolarHBondContact O-N 2.98Å; W369-G372 PolarHBondContact O-N 3.46Å; W369-G372 VanDerWaalsContact O-N 3.09Å; W369-C373 PolarHBondContact NE1-SG 3.13Å; W369-C373 VanDerWaalsContact NE1-SG 3.41Å; W369-C373 PolarHBondContact O-N 3.45Å; W369-F385 AromaticContact CH2-CE2 3.92Å; W369-F385 HydrophobicContact CH2-CE2 3.92Å; W369-F385 AromaticContact CH2-CZ 3.73Å; W369-F385 HydrophobicContact CH2-CZ 3.73Å; W369-F385 HydrophobicContact CZ2-CD2 4.35Å; W369-F385 AromaticContact CZ2-CE2 3.38Å; W369-F385 HydrophobicContact CZ2-CE2 3.38Å; W369-F385 AromaticContact CZ2-CZ 3.71Å; W369-F385 HydrophobicContact CZ2-CZ 3.71Å; W369-V401 HydrophobicContact CH2-CG1 4.13Å; W369-V401 HydrophobicContact CZ2-CG1 3.66Å; W369-L424 HydrophobicContact CD2-CD2 3.99Å; W369-L424 HydrophobicContact CE3-CD2 4.07Å; W369-L424 HydrophobicContact CH2-CD2 4.17Å; W369-L424 HydrophobicContact CZ2-CD2 4.08Å; W369-L424 HydrophobicContact CZ3-CB 4.26Å; W369-L424 HydrophobicContact CZ3-CD2 4.18Å; W369-L424 WeakPolarHBondContact CZ3-O 3.33Å; W369-K426 HydrophobicContact CZ3-CG 4.5Å
370G98.7Very high98.5Very high2 Ų217.7 Ų17.72%0.0218%0.084CC..Hα-helixtrans-57.1-38.2175.200000112.6L312 P366 D367 C373 L374L312-G370 VanDerWaalsContact CD2-C 3.43Å; P366-G370 PolarHBondContact O-N 3.39Å; D367-G370 PolarHBondContact O-N 2.71Å; G370-C373 WeakPolarHBondContact O-CB 3.35Å; G370-C373 PolarHBondContact O-N 3.41Å; G370-L374 PolarHBondContact O-N 2.94Å
371L98.9Very high98.4Very high0 Ų013.3 Ų13.30%07%0.065CC..Hα-helixtrans-63.2-43.8175.5-179.562.3000111A292 I295 L296 L299 L312 D367 Y368 W369 C373 L374 I375 L423 V442A292-L371 HydrophobicContact CB-CD1 4.39Å; I295-L371 HydrophobicContact CB-CD1 4.21Å; I295-L371 HydrophobicContact CG2-CD1 3.87Å; L296-L371 HydrophobicContact CB-CD2 4.31Å; L296-L371 HydrophobicContact CD1-CD2 4.1Å; L299-L371 HydrophobicContact CD1-CB 4.35Å; L312-L371 HydrophobicContact CD2-CB 4.19Å; L312-L371 VanDerWaalsContact CD2-N 3.34Å; D367-L371 PolarHBondContact O-N 2.95Å; Y368-L371 WeakPolarHBondContact O-CB 3.32Å; Y368-L371 PolarHBondContact O-N 2.96Å; W369-L371 PolarHBondContact O-N 2.98Å; L371-C373 PolarHBondContact O-N 3.24Å; L371-L374 PolarHBondContact O-N 2.94Å; L371-I375 HydrophobicContact CD1-CD1 4.25Å; L371-I375 HydrophobicContact CD1-CG1 4.34Å; L371-I375 HydrophobicContact CG-CD1 4.05Å; L371-I375 WeakPolarHBondContact O-CG1 3.06Å; L371-I375 PolarHBondContact O-N 2.95Å; L371-L423 HydrophobicContact CB-CD1 4.43Å; L371-L423 HydrophobicContact CD2-CD1 4.14Å; L371-L423 HydrophobicContact CG-CD1 4.02Å; L371-V442 HydrophobicContact CD2-CG1 4.34Å
372G98.8Very high98.3Very high0 Ų010.2 Ų10.20%06%0.056CC..Hα-helixtrans-58.8-44.8173.600000112.7Y368 W369 L374 I375 Y376Y368-G372 PolarHBondContact O-N 3.37Å; W369-G372 PolarHBondContact O-N 3.46Å; W369-G372 VanDerWaalsContact O-N 3.09Å; G372-L374 VanDerWaalsContact C-N 3.32Å; G372-L374 PolarHBondContact O-N 3.39Å; G372-I375 PolarHBondContact O-N 2.62Å; G372-Y376 WeakPolarHBondContact O-CB 3.29Å; G372-Y376 PolarHBondContact O-N 3.48Å
373C98.8Very high98.2Very high0 Ų010.5 Ų10.50%06%0.059CC..Hα-helixtrans-58.7-42.3174-72.90000112.3Y351 W369 G370 L371 E377 P384Y351-C373 HydrophobicContact CD1-CB 3.82Å; Y351-C373 HydrophobicContact CE1-CB 4.25Å; W369-C373 PolarHBondContact NE1-SG 3.13Å; W369-C373 VanDerWaalsContact NE1-SG 3.41Å; W369-C373 PolarHBondContact O-N 3.45Å; G370-C373 WeakPolarHBondContact O-CB 3.35Å; G370-C373 PolarHBondContact O-N 3.41Å; L371-C373 PolarHBondContact O-N 3.24Å; C373-E377 WeakPolarHBondContact O-CB 3.4Å; C373-E377 PolarHBondContact O-N 3.21Å; C373-P384 HydrophobicContact CB-CG 4.5Å
374L98.6Very high98.2Very high0 Ų010.6 Ų10.60%06%0.057CC..Hα-helixtrans-69.2-45179.8-81.1-169000113.1I295 L312 P314 I317 G370 L371 G372 Y376 E377 M378I295-L374 HydrophobicContact CD1-CD1 3.75Å; L312-L374 HydrophobicContact CD1-CD1 4.1Å; L312-L374 HydrophobicContact CD2-CD1 3.85Å; L312-L374 HydrophobicContact CD2-CG 4.42Å; L312-L374 HydrophobicContact CG-CD1 3.57Å; L312-L374 HydrophobicContact CG-CG 4.26Å; P314-L374 HydrophobicContact CB-CD2 4.32Å; P314-L374 VanDerWaalsContact CD-CD2 3.45Å; P314-L374 HydrophobicContact CG-CD2 3.56Å; I317-L374 HydrophobicContact CD1-CD1 4.46Å; I317-L374 HydrophobicContact CG1-CD1 3.88Å; G370-L374 PolarHBondContact O-N 2.94Å; L371-L374 PolarHBondContact O-N 2.94Å; G372-L374 VanDerWaalsContact C-N 3.32Å; G372-L374 PolarHBondContact O-N 3.39Å; L374-Y376 VanDerWaalsContact C-N 3.29Å; L374-Y376 PolarHBondContact O-N 2.95Å; L374-E377 PolarHBondContact O-N 3.17Å; L374-M378 WeakPolarHBondContact O-CB 3.29Å; L374-M378 VanDerWaalsContact O-CG 3.24Å; L374-M378 WeakPolarHBondContact O-CG 3.02Å; L374-M378 PolarHBondContact O-N 3Å
375I98.8Very high98.1Very high0 Ų08.8 Ų8.80%05%0.047CC..Hα-helixtrans-59.1-46.6177.1-64.2167.8000109.5A292 L371 G372 E377 M378 I379 I419 C420 L423 F447A292-I375 HydrophobicContact CB-CD1 3.96Å; A292-I375 HydrophobicContact CB-CG1 3.68Å; L371-I375 HydrophobicContact CD1-CD1 4.25Å; L371-I375 HydrophobicContact CD1-CG1 4.34Å; L371-I375 HydrophobicContact CG-CD1 4.05Å; L371-I375 WeakPolarHBondContact O-CG1 3.06Å; L371-I375 PolarHBondContact O-N 2.95Å; G372-I375 PolarHBondContact O-N 2.62Å; I375-E377 PolarHBondContact O-N 2.98Å; I375-M378 HydrophobicContact CG1-CE 4.34Å; I375-M378 PolarHBondContact O-N 3.03Å; I375-I379 HydrophobicContact CG2-CD1 3.95Å; I375-I379 WeakPolarHBondContact O-CG1 3.25Å; I375-I379 PolarHBondContact O-N 3.21Å; I375-I379 VanDerWaalsContact O-N 3.13Å; I375-I419 HydrophobicContact CD1-CD1 4.39Å; I375-I419 HydrophobicContact CD1-CG2 4.35Å; I375-I419 HydrophobicContact CG2-CG2 4.43Å; I375-C420 WeakPolarHBondContact CG2-SG 3.41Å; I375-L423 HydrophobicContact CD1-CD1 3.75Å; I375-F447 HydrophobicContact CD1-CE1 4.5Å; I375-F447 HydrophobicContact CG2-CZ 4.24Å
376Y98.8Very high97.9Very high9 Ų913 Ų134%0.0356%0.061CC..Hα-helixtrans-56.5-51.9176.6-177-77.7000111.3G372 L374 M378 I379 E380 Q382 P384 E406 V407 Y408 F412G372-Y376 WeakPolarHBondContact O-CB 3.29Å; G372-Y376 PolarHBondContact O-N 3.48Å; L374-Y376 VanDerWaalsContact C-N 3.29Å; L374-Y376 PolarHBondContact O-N 2.95Å; Y376-M378 PolarHBondContact O-N 2.91Å; Y376-I379 PolarHBondContact O-N 3.32Å; Y376-E380 HydrophobicContact CD1-CB 4.02Å; Y376-E380 HydrophobicContact CE1-CB 3.67Å; Y376-E380 HydrophobicContact CE1-CG 3.79Å; Y376-E380 VanDerWaalsContact O-CB 3.25Å; Y376-E380 WeakPolarHBondContact O-CB 3.35Å; Y376-E380 PolarHBondContact O-N 3.46Å; Y376-Q382 WeakPolarHBondContact CD1-O 3.29Å; Y376-Q382 WeakPolarHBondContact CE1-O 3.14Å; Y376-P384 HydrophobicContact CD1-CB 3.71Å; Y376-P384 HydrophobicContact CD1-CG 4.08Å; Y376-P384 HydrophobicContact CD2-CB 4.13Å; Y376-P384 VanDerWaalsContact CE1-CA 3.4Å; Y376-P384 HydrophobicContact CE1-CB 3.84Å; Y376-P384 HydrophobicContact CE2-CB 4.25Å; Y376-P384 HydrophobicContact CG-CB 3.87Å; Y376-P384 HydrophobicContact CG-CG 4.25Å; Y376-E406 HydrophobicContact CD2-CG 4.42Å; Y376-E406 HydrophobicContact CE2-CB 4.2Å; Y376-E406 HydrophobicContact CE2-CG 4.31Å; Y376-V407 VanDerWaalsContact CE2-O 3.31Å; Y376-V407 WeakPolarHBondContact CE2-O 3.24Å; Y376-V407 PolarHBondContact OH-O 3.3Å; Y376-Y408 HydrophobicContact CD2-CD1 4.18Å; Y376-Y408 AromaticContact CD2-CE1 3.79Å; Y376-Y408 HydrophobicContact CD2-CE1 3.79Å; Y376-Y408 HydrophobicContact CE2-CD1 4.11Å; Y376-Y408 HydrophobicContact CE2-CE1 4.07Å; Y376-F412 HydrophobicContact CD2-CE1 4.34Å; Y376-F412 AromaticContact CD2-CZ 3.75Å; Y376-F412 HydrophobicContact CD2-CZ 3.75Å; Y376-F412 HydrophobicContact CE2-CE2 4.4Å; Y376-F412 HydrophobicContact CE2-CZ 4.06Å; Y376-F412 HydrophobicContact CG-CZ 4.1Å
377E98.3Very high97.3Very high4 Ų413.7 Ų13.72%0.0197%0.069CC..Hα-helixtrans-69-33.7-174.8-174.8172.2-174.800113.1I275 Y276 P314 Y351 C373 L374 I375 G381 Q382I275-E377 HydrophobicContact CD1-CG 4.25Å; Y276-E377 WeakPolarHBondContact CE2-OE1 3.14Å; Y276-E377 VanDerWaalsContact CZ-OE1 3.28Å; Y276-E377 PolarHBondContact OH-OE1 3.3Å; P314-E377 VanDerWaalsContact CG-CD 3.49Å; P314-E377 HydrophobicContact CG-CG 4.37Å; P314-E377 VanDerWaalsContact CG-OE2 3.29Å; P314-E377 WeakPolarHBondContact CG-OE2 3.06Å; Y351-E377 VanDerWaalsContact CE1-OE2 3.28Å; Y351-E377 WeakPolarHBondContact CE1-OE2 3.42Å; Y351-E377 VanDerWaalsContact CZ-OE2 3.28Å; Y351-E377 VanDerWaalsContact OH-CD 3.22Å; Y351-E377 PolarHBondContact OH-OE1 3.35Å; Y351-E377 PolarHBondContact OH-OE2 3.31Å; C373-E377 WeakPolarHBondContact O-CB 3.4Å; C373-E377 PolarHBondContact O-N 3.21Å; L374-E377 PolarHBondContact O-N 3.17Å; I375-E377 PolarHBondContact O-N 2.98Å; E377-G381 VanDerWaalsContact O-CA 3.28Å; E377-G381 WeakPolarHBondContact O-CA 2.91Å; E377-G381 PolarHBondContact O-N 2.97Å; E377-Q382 WeakPolarHBondContact CA-O 3.45Å
378M98.6Very high96.6Very high0 Ų019 Ų190%09%0.09CC..Hα-helixtrans-62.4-42.5172.7-77-169.6-6600111.6L271 I275 G282 F283 A288 Y291 A292 L374 I375 Y376L271-M378 HydrophobicContact CD2-CG 4.03Å; L271-M378 HydrophobicContact CD2-SD 3.79Å; I275-M378 HydrophobicContact CD1-CG 3.95Å; I275-M378 HydrophobicContact CG1-CG 4.46Å; G282-M378 CarbonylContact C-O 3.35Å; G282-M378 WeakPolarHBondContact CA-O 3.47Å; F283-M378 HydrophobicContact CD2-CB 3.81Å; F283-M378 HydrophobicContact CD2-CG 3.86Å; F283-M378 HydrophobicContact CD2-SD 4.14Å; F283-M378 HydrophobicContact CE2-CB 4.2Å; F283-M378 HydrophobicContact CE2-CG 3.76Å; F283-M378 HydrophobicContact CE2-SD 4.04Å; F283-M378 PolarHBondContact N-O 3.42Å; A288-M378 HydrophobicContact CB-CB 3.82Å; A288-M378 HydrophobicContact CB-CE 4.26Å; A288-M378 HydrophobicContact CB-SD 4.4Å; A288-M378 WeakPolarHBondContact O-CE 3.32Å; Y291-M378 HydrophobicContact CD2-SD 4.15Å; A292-M378 HydrophobicContact CB-CE 4.21Å; L374-M378 WeakPolarHBondContact O-CB 3.29Å; L374-M378 VanDerWaalsContact O-CG 3.24Å; L374-M378 WeakPolarHBondContact O-CG 3.02Å; L374-M378 PolarHBondContact O-N 3Å; I375-M378 HydrophobicContact CG1-CE 4.34Å; I375-M378 PolarHBondContact O-N 3.03Å; Y376-M378 PolarHBondContact O-N 2.91Å
379I98.4Very high95.9Very high2 Ų227.6 Ų27.61%0.0113%0.127CC..Hα-helixtrans-80-53.2-178.5-63.8172.1000110.6E285 A288 I375 Y376 G381 K411 F412 A416E285-I379 HydrophobicContact CG-CD1 4.36Å; A288-I379 HydrophobicContact CB-CD1 4.42Å; A288-I379 HydrophobicContact CB-CG1 3.76Å; I375-I379 HydrophobicContact CG2-CD1 3.95Å; I375-I379 WeakPolarHBondContact O-CG1 3.25Å; I375-I379 PolarHBondContact O-N 3.21Å; I375-I379 VanDerWaalsContact O-N 3.13Å; Y376-I379 PolarHBondContact O-N 3.32Å; I379-G381 PolarHBondContact O-N 2.93Å; I379-K411 HydrophobicContact CG2-CB 3.85Å; I379-K411 WeakPolarHBondContact CG2-O 3.41Å; I379-K411 VanDerWaalsContact O-CD 3.26Å; I379-K411 WeakPolarHBondContact O-CD 3.05Å; I379-K411 PolarHBondContact O-NZ 3.1Å; I379-F412 HydrophobicContact CB-CD1 4.32Å; I379-F412 HydrophobicContact CB-CE1 3.82Å; I379-F412 HydrophobicContact CB-CE2 4.35Å; I379-F412 HydrophobicContact CB-CZ 3.84Å; I379-F412 HydrophobicContact CD1-CD1 3.88Å; I379-F412 HydrophobicContact CD1-CE1 3.8Å; I379-F412 HydrophobicContact CG1-CE1 4.39Å; I379-F412 HydrophobicContact CG2-CD1 3.93Å; I379-F412 HydrophobicContact CG2-CD2 3.94Å; I379-F412 HydrophobicContact CG2-CE1 3.86Å; I379-F412 HydrophobicContact CG2-CE2 3.87Å; I379-F412 HydrophobicContact CG2-CG 3.97Å; I379-F412 HydrophobicContact CG2-CZ 3.83Å; I379-A416 HydrophobicContact CD1-CB 3.78Å
380E97.8Very high95.5Very high30 Ų3030.2 Ų30.214%0.1414%0.139CC..Hα-helixtrans-70.8-33.7-173.5-170.659.9-160.100112Y376 Q382 S409 K411 F412Y376-E380 HydrophobicContact CD1-CB 4.02Å; Y376-E380 HydrophobicContact CE1-CB 3.67Å; Y376-E380 HydrophobicContact CE1-CG 3.79Å; Y376-E380 VanDerWaalsContact O-CB 3.25Å; Y376-E380 WeakPolarHBondContact O-CB 3.35Å; Y376-E380 PolarHBondContact O-N 3.46Å; E380-Q382 HydrophobicContact CB-CG 4.41Å; E380-Q382 HydrophobicContact CG-CG 3.61Å; E380-S409 WeakPolarHBondContact OE2-CB 3.42Å; E380-S409 PolarHBondContact OE2-OG 3.39Å; E380-K411 PolarHBondContact O-NZ 3.34Å; E380-F412 HydrophobicContact CB-CE2 3.95Å; E380-F412 HydrophobicContact CB-CZ 4.08Å; E380-F412 WeakPolarHBondContact OE2-CE2 3.43Å
381G96.7Very high95.1Very high4 Ų440 Ų404%0.04118%0.181CC..SBendtrans80.920.6-173.300000113.8Y276 E377 I379Y276-G381 VanDerWaalsContact CE1-O 3.23Å; Y276-G381 WeakPolarHBondContact CE1-O 3.47Å; E377-G381 VanDerWaalsContact O-CA 3.28Å; E377-G381 WeakPolarHBondContact O-CA 2.91Å; E377-G381 PolarHBondContact O-N 2.97Å; I379-G381 PolarHBondContact O-N 2.93Å
382Q95.4Very high94.9Very high66 Ų6641.8 Ų41.831%0.30819%0.192SC..SBendtrans-158.1158.8171.553.31735.800110.6Y376 E377 E380Y376-Q382 WeakPolarHBondContact CD1-O 3.29Å; Y376-Q382 WeakPolarHBondContact CE1-O 3.14Å; E377-Q382 WeakPolarHBondContact CA-O 3.45Å; E380-Q382 HydrophobicContact CB-CG 4.41Å; E380-Q382 HydrophobicContact CG-CG 3.61Å
383S96.3Very high94.7Very high11 Ų1149.6 Ų49.68%0.07723%0.226CC..BIsolated β-bridgetrans-68.7144.5178.2171.10000112F385 R386S383-F385 PolarHBondContact O-N 3.15Å; S383-R386 WeakPolarHBondContact CB-O 3.27Å; S383-R386 PolarHBondContact O-N 3.43Å
384P97.1Very high94.5Very high17 Ų1754.7 Ų54.711%0.1125%0.245CC..THydrogen-bonded Turntrans-61.8-27.9-177.521.2-32.1000114.3C373 Y376 E406C373-P384 HydrophobicContact CB-CG 4.5Å; Y376-P384 HydrophobicContact CD1-CB 3.71Å; Y376-P384 HydrophobicContact CD1-CG 4.08Å; Y376-P384 HydrophobicContact CD2-CB 4.13Å; Y376-P384 VanDerWaalsContact CE1-CA 3.4Å; Y376-P384 HydrophobicContact CE1-CB 3.84Å; Y376-P384 HydrophobicContact CE2-CB 4.25Å; Y376-P384 HydrophobicContact CG-CB 3.87Å; Y376-P384 HydrophobicContact CG-CG 4.25Å; P384-E406 HydrophobicContact CB-CB 4.07Å
385F96.7Very high94.4Very high7 Ų760.8 Ų60.83%0.03127%0.274CS..THydrogen-bonded Turntrans-113.30.2-175.1-54.5-69.6000113.5W369 S383 V397 R400 V401W369-F385 AromaticContact CH2-CE2 3.92Å; W369-F385 HydrophobicContact CH2-CE2 3.92Å; W369-F385 AromaticContact CH2-CZ 3.73Å; W369-F385 HydrophobicContact CH2-CZ 3.73Å; W369-F385 HydrophobicContact CZ2-CD2 4.35Å; W369-F385 AromaticContact CZ2-CE2 3.38Å; W369-F385 HydrophobicContact CZ2-CE2 3.38Å; W369-F385 AromaticContact CZ2-CZ 3.71Å; W369-F385 HydrophobicContact CZ2-CZ 3.71Å; S383-F385 PolarHBondContact O-N 3.15Å; F385-V397 HydrophobicContact CB-CG1 4.37Å; F385-R400 HydrophobicContact CB-CB 4.27Å; F385-R400 HydrophobicContact CD1-CB 4.23Å; F385-R400 WeakPolarHBondContact O-CD 3.36Å; F385-R400 PolarHBondContact O-NH1 2.74Å; F385-V401 HydrophobicContact CB-CG2 3.96Å; F385-V401 HydrophobicContact CD1-CG2 4.25Å; F385-V401 HydrophobicContact CD2-CG2 3.57Å; F385-V401 HydrophobicContact CE2-CG2 4.17Å; F385-V401 HydrophobicContact CG-CB 4.5Å; F385-V401 HydrophobicContact CG-CG2 3.63Å
386R93.3Very high94.3Very high103 Ų10363.5 Ų63.539%0.38929%0.286SS..BIsolated β-bridgetrans-150.7118.9-177.6-172.4179.6-178.91792.3112.1S383 E390 V392 V397S383-R386 WeakPolarHBondContact CB-O 3.27Å; S383-R386 PolarHBondContact O-N 3.43Å; R386-E390 HydrophobicContact CG-CB 4.45Å; R386-E390 PolarHBondContact NE-O 2.79Å; R386-E390 PolarHBondContact NH2-O 3.06Å; R386-V392 HydrophobicContact CG-CG2 4.06Å; R386-V397 HydrophobicContact CG-CG2 4.48Å
387G87.9Confident94.2Very high23 Ų2363.1 Ų63.124%0.23729%0.285CS..  trans-65.8153176.700000112.8K389 E390G387-K389 PolarHBondContact O-N 2.8Å; G387-E390 PolarHBondContact N-OE2 2.64Å; G387-E390 WeakPolarHBondContact O-CB 3.49Å; G387-E390 PolarHBondContact O-N 3.42Å
388R82.8Confident94.1Very high113 Ų11363.7 Ų63.743%0.42629%0.288SS..THydrogen-bonded Turntrans-60.9129.8177.1-169.6-179.9-175.6-172.96.7110.5Y276 P281 E390Y276-R388 HydrophobicContact CE1-CG 4.35Å; Y276-R388 PolarHBondContact O-NH2 2.88Å; P281-R388 VanDerWaalsContact CG-NH1 3.32Å; R388-E390 PolarHBondContact O-N 3.05Å; R388-E390 VanDerWaalsContact O-N 3.12Å
389K84.2Confident94.1Very high189 Ų18968.3 Ų68.382%0.82231%0.305SS*.THydrogen-bonded Turntrans59.712.7-176.3-61.2172.4179.6178.20114.3G387 K391G387-K389 PolarHBondContact O-N 2.8Å; K389-K391 PolarHBondContact O-N 2.9Å
390E90.9Very high94.1Very high55 Ų5570.7 Ų70.726%0.25731%0.314SS..  trans-67.9123.7175.1-168.1-171.2-173.400110.2R386 G387 R388 V392 R400R386-E390 HydrophobicContact CG-CB 4.45Å; R386-E390 PolarHBondContact NE-O 2.79Å; R386-E390 PolarHBondContact NH2-O 3.06Å; G387-E390 PolarHBondContact N-OE2 2.64Å; G387-E390 WeakPolarHBondContact O-CB 3.49Å; G387-E390 PolarHBondContact O-N 3.42Å; R388-E390 PolarHBondContact O-N 3.05Å; R388-E390 VanDerWaalsContact O-N 3.12Å; E390-V392 HydrophobicContact CG-CB 4.49Å; E390-V392 HydrophobicContact CG-CG1 3.81Å; E390-V392 HydrophobicContact CG-CG2 4.08Å; E390-V392 PolarHBondContact O-N 2.87Å; E390-V392 WeakPolarHBondContact OE1-CG1 3.33Å; E390-R400 IonicContact OE1-CZ 2.96Å; E390-R400 IonicContact OE1-NH1 3.84Å; E390-R400 PolarHBondContact OE1-NH1 2.98Å; E390-R400 IonicContact OE1-NH2 3.85Å; E390-R400 PolarHBondContact OE1-NH2 3.05Å; E390-R400 IonicContact OE2-NH1 3.96Å; E390-R400 PolarHBondContact OE2-NH1 3.25Å
391K90.9Very high94.1Very high208 Ų20869.3 Ų69.390%0.90431%0.308SS*.  trans-92.481.7175.1-67.7-174.3-177.9179.20109.6K389K389-K391 PolarHBondContact O-N 2.9Å
392V94.3Very high94.1Very high36 Ų3671.8 Ų71.822%0.21832%0.32CS..  trans-111.5149.1173.9-81.30000111.2R386 E390 E396 V397R386-V392 HydrophobicContact CG-CG2 4.06Å; E390-V392 HydrophobicContact CG-CB 4.49Å; E390-V392 HydrophobicContact CG-CG1 3.81Å; E390-V392 HydrophobicContact CG-CG2 4.08Å; E390-V392 PolarHBondContact O-N 2.87Å; E390-V392 WeakPolarHBondContact OE1-CG1 3.33Å; V392-E396 HydrophobicContact CG1-CG 4.42Å; V392-V397 HydrophobicContact CB-CG2 4.32Å; V392-V397 HydrophobicContact CG2-CG2 3.5Å; V392-V397 VanDerWaalsContact CG2-CG2 3.5Å
393K94.9Very high94.2Very high165 Ų16574.8 Ų74.872%0.71733%0.334SS*.  trans-67.4153.1172.5-67.3-173.9178.9178.40109.9E395 E396 V397K393-E395 VanDerWaalsContact C-N 3.25Å; K393-E395 WeakPolarHBondContact CB-OE2 3.36Å; K393-E395 PolarHBondContact O-N 2.99Å; K393-E396 PolarHBondContact O-N 2.9Å; K393-V397 PolarHBondContact O-N 2.95Å
394R94Very high94.2Very high107 Ų10777 Ų7740%0.40435%0.347SS..Hα-helixtrans-57.2-42.4179.9174.4177.8178.6170.53.8111.5V349 E396 V397 D398V349-R394 HydrophobicContact CG1-CG 4.06Å; V349-R394 HydrophobicContact CG2-CG 3.84Å; R394-E396 PolarHBondContact O-N 3.39Å; R394-V397 PolarHBondContact O-N 3.3Å; R394-V397 VanDerWaalsContact O-N 3.15Å; R394-D398 IonicContact NE-OD2 2.64Å; R394-D398 VanDerWaalsContact O-CG 3.27Å; R394-D398 PolarHBondContact O-N 3.03Å
395E95.4Very high94.1Very high128 Ų12883.8 Ų83.860%0.59838%0.377SS*.Hα-helixtrans-64.1-32.1-175.9-58.871.9-152.200111.9K393 R399K393-E395 VanDerWaalsContact C-N 3.25Å; K393-E395 WeakPolarHBondContact CB-OE2 3.36Å; K393-E395 PolarHBondContact O-N 2.99Å; E395-R399 WeakPolarHBondContact O-CB 3.46Å; E395-R399 PolarHBondContact O-N 3.33Å
396E97Very high94Very high57 Ų5784.6 Ų84.627%0.26638%0.381SS..Hα-helixtrans-72.6-39.5175.7174.254.9-161.100111.6V392 K393 R394 D398 R399 R400V392-E396 HydrophobicContact CG1-CG 4.42Å; K393-E396 PolarHBondContact O-N 2.9Å; R394-E396 PolarHBondContact O-N 3.39Å; E396-D398 VanDerWaalsContact C-N 3.35Å; E396-R399 PolarHBondContact O-N 3.43Å; E396-R399 IonicContact OE1-CZ 3.01Å; E396-R399 IonicContact OE1-NE 3.6Å; E396-R399 IonicContact OE1-NH2 3.49Å; E396-R399 PolarHBondContact OE1-NH2 3.45Å; E396-R399 IonicContact OE2-CZ 3.43Å; E396-R399 IonicContact OE2-NE 2.84Å; E396-R399 PolarHBondContact OE2-NE 3.4Å; E396-R399 IonicContact OE2-NH2 3.71Å; E396-R399 PolarHBondContact OE2-NH2 3.23Å; E396-R400 WeakPolarHBondContact O-CG 3.47Å; E396-R400 PolarHBondContact O-N 3.36Å; E396-R400 IonicContact OE1-CZ 3.36Å; E396-R400 IonicContact OE1-NE 2.98Å; E396-R400 PolarHBondContact OE1-NE 3.4Å; E396-R400 IonicContact OE1-NH2 2.8Å
397V96.9Very high94.2Very high1 Ų185.1 Ų85.11%0.00640%0.395CS..Hα-helixtrans-65-43174-177.40000110.4V349 F385 R386 V392 K393 R394 R399 R400 V401V349-V397 HydrophobicContact CG1-CB 3.98Å; V349-V397 HydrophobicContact CG1-CG1 3.92Å; F385-V397 HydrophobicContact CB-CG1 4.37Å; R386-V397 HydrophobicContact CG-CG2 4.48Å; V392-V397 HydrophobicContact CB-CG2 4.32Å; V392-V397 HydrophobicContact CG2-CG2 3.5Å; V392-V397 VanDerWaalsContact CG2-CG2 3.5Å; K393-V397 PolarHBondContact O-N 2.95Å; R394-V397 PolarHBondContact O-N 3.3Å; R394-V397 VanDerWaalsContact O-N 3.15Å; V397-R399 VanDerWaalsContact C-N 3.32Å; V397-R399 PolarHBondContact O-N 3.44Å; V397-R400 PolarHBondContact O-N 3.17Å; V397-V401 WeakPolarHBondContact O-CG2 3.48Å; V397-V401 PolarHBondContact O-N 3Å
398D97.4Very high94.6Very high15 Ų1585.4 Ų85.48%0.0839%0.389CS..Hα-helixtrans-59-43.7175.4-66.1-24000110.7R345 L357 R394 E396 V401 L402R345-D398 IonicContact CZ-OD2 3.51Å; R345-D398 VanDerWaalsContact NH2-CG 3.33Å; R345-D398 IonicContact NH2-OD1 2.8Å; R345-D398 IonicContact NH2-OD2 2.71Å; R345-D398 PolarHBondContact NH2-OD2 3.49Å; L357-D398 HydrophobicContact CD1-CB 4.26Å; L357-D398 HydrophobicContact CD2-CB 4.44Å; L357-D398 WeakPolarHBondContact CD2-OD1 3.27Å; R394-D398 IonicContact NE-OD2 2.64Å; R394-D398 VanDerWaalsContact O-CG 3.27Å; R394-D398 PolarHBondContact O-N 3.03Å; E396-D398 VanDerWaalsContact C-N 3.35Å; D398-V401 PolarHBondContact O-N 3.27Å; D398-L402 WeakPolarHBondContact O-CG 3.33Å; D398-L402 PolarHBondContact O-N 3Å; D398-L402 VanDerWaalsContact O-N 3.15Å
399R97.9Very high95.3Very high98 Ų9881.8 Ų81.837%0.3738%0.382SS..Hα-helixtrans-60.9-45175.5-169.9-169.269.679.63112.1E395 E396 V397 V401 L402 E403E395-R399 WeakPolarHBondContact O-CB 3.46Å; E395-R399 PolarHBondContact O-N 3.33Å; E396-R399 PolarHBondContact O-N 3.43Å; E396-R399 IonicContact OE1-CZ 3.01Å; E396-R399 IonicContact OE1-NE 3.6Å; E396-R399 IonicContact OE1-NH2 3.49Å; E396-R399 PolarHBondContact OE1-NH2 3.45Å; E396-R399 IonicContact OE2-CZ 3.43Å; E396-R399 IonicContact OE2-NE 2.84Å; E396-R399 PolarHBondContact OE2-NE 3.4Å; E396-R399 IonicContact OE2-NH2 3.71Å; E396-R399 PolarHBondContact OE2-NH2 3.23Å; V397-R399 VanDerWaalsContact C-N 3.32Å; V397-R399 PolarHBondContact O-N 3.44Å; R399-V401 PolarHBondContact O-N 3.44Å; R399-L402 PolarHBondContact O-N 2.91Å; R399-L402 VanDerWaalsContact O-N 3.12Å; R399-E403 WeakPolarHBondContact CD-OE2 3.41Å; R399-E403 VanDerWaalsContact CG-CD 3.49Å; R399-E403 HydrophobicContact CG-CG 4.34Å; R399-E403 WeakPolarHBondContact CG-OE2 3.44Å; R399-E403 IonicContact CZ-OE2 3.28Å; R399-E403 IonicContact NH1-OE2 3.95Å; R399-E403 PolarHBondContact NH1-OE2 2.82Å; R399-E403 WeakPolarHBondContact O-CB 3.34Å; R399-E403 PolarHBondContact O-N 3.31Å
400R97.9Very high95.9Very high52 Ų5284.9 Ų84.920%0.19639%0.388CS..Hα-helixtrans-59.8-44.3177.3-70.4172.2-171.2-174.9-0.7111.9F385 E390 E396 V397 L402 E403 T404F385-R400 HydrophobicContact CB-CB 4.27Å; F385-R400 HydrophobicContact CD1-CB 4.23Å; F385-R400 WeakPolarHBondContact O-CD 3.36Å; F385-R400 PolarHBondContact O-NH1 2.74Å; E390-R400 IonicContact OE1-CZ 2.96Å; E390-R400 IonicContact OE1-NH1 3.84Å; E390-R400 PolarHBondContact OE1-NH1 2.98Å; E390-R400 IonicContact OE1-NH2 3.85Å; E390-R400 PolarHBondContact OE1-NH2 3.05Å; E390-R400 IonicContact OE2-NH1 3.96Å; E390-R400 PolarHBondContact OE2-NH1 3.25Å; E396-R400 WeakPolarHBondContact O-CG 3.47Å; E396-R400 PolarHBondContact O-N 3.36Å; E396-R400 IonicContact OE1-CZ 3.36Å; E396-R400 IonicContact OE1-NE 2.98Å; E396-R400 PolarHBondContact OE1-NE 3.4Å; E396-R400 IonicContact OE1-NH2 2.8Å; V397-R400 PolarHBondContact O-N 3.17Å; R400-L402 PolarHBondContact O-N 2.8Å; R400-E403 PolarHBondContact O-N 3.34Å; R400-T404 WeakPolarHBondContact O-CA 3.45Å; R400-T404 VanDerWaalsContact O-CB 3.3Å; R400-T404 WeakPolarHBondContact O-CB 3.25Å; R400-T404 PolarHBondContact O-N 3.38Å
401V97.8Very high96.2Very high0 Ų086.8 Ų86.80%040%0.395CS..Hα-helixtrans-57.2-40.7175.1169.30000111.2P354 L357 W369 F385 V397 D398 R399 K426P354-V401 HydrophobicContact CG-CG1 4.09Å; L357-V401 HydrophobicContact CD1-CB 3.75Å; L357-V401 HydrophobicContact CD1-CG1 3.5Å; L357-V401 VanDerWaalsContact CD1-CG1 3.5Å; L357-V401 HydrophobicContact CD1-CG2 4.42Å; W369-V401 HydrophobicContact CH2-CG1 4.13Å; W369-V401 HydrophobicContact CZ2-CG1 3.66Å; F385-V401 HydrophobicContact CB-CG2 3.96Å; F385-V401 HydrophobicContact CD1-CG2 4.25Å; F385-V401 HydrophobicContact CD2-CG2 3.57Å; F385-V401 HydrophobicContact CE2-CG2 4.17Å; F385-V401 HydrophobicContact CG-CB 4.5Å; F385-V401 HydrophobicContact CG-CG2 3.63Å; V397-V401 WeakPolarHBondContact O-CG2 3.48Å; V397-V401 PolarHBondContact O-N 3Å; D398-V401 PolarHBondContact O-N 3.27Å; R399-V401 PolarHBondContact O-N 3.44Å; V401-K426 PolarHBondContact O-NZ 3.26Å
402L97.9Very high96.6Very high56 Ų5677.8 Ų77.829%0.29336%0.357SS..Hα-helixtrans-78.1-35.3-177.4-66.8174.4000114P354 L357 D398 R399 R400 K426P354-L402 HydrophobicContact CB-CD2 3.9Å; L357-L402 HydrophobicContact CB-CD2 4.23Å; L357-L402 HydrophobicContact CD1-CD2 4.36Å; L357-L402 HydrophobicContact CD1-CG 4.24Å; D398-L402 WeakPolarHBondContact O-CG 3.33Å; D398-L402 PolarHBondContact O-N 3Å; D398-L402 VanDerWaalsContact O-N 3.15Å; R399-L402 PolarHBondContact O-N 2.91Å; R399-L402 VanDerWaalsContact O-N 3.12Å; R400-L402 PolarHBondContact O-N 2.8Å; L402-K426 VanDerWaalsContact O-CD 3.23Å; L402-K426 WeakPolarHBondContact O-CD 3.24Å; L402-K426 WeakPolarHBondContact O-CE 3.41Å
403E96.8Very high96.8Very high130 Ų13077.6 Ų77.661%0.60736%0.356SS*.Hα-helixtrans-121.9-21.1-163.7-62.7173.9-177.200114.3R399 R400R399-E403 WeakPolarHBondContact CD-OE2 3.41Å; R399-E403 VanDerWaalsContact CG-CD 3.49Å; R399-E403 HydrophobicContact CG-CG 4.34Å; R399-E403 WeakPolarHBondContact CG-OE2 3.44Å; R399-E403 IonicContact CZ-OE2 3.28Å; R399-E403 IonicContact NH1-OE2 3.95Å; R399-E403 PolarHBondContact NH1-OE2 2.82Å; R399-E403 WeakPolarHBondContact O-CB 3.34Å; R399-E403 PolarHBondContact O-N 3.31Å; R400-E403 PolarHBondContact O-N 3.34Å
404T95.7Very high97Very high58 Ų5877.6 Ų77.636%0.35636%0.359SS..PPolyproline II helixtrans-103.7133-173-52.40000110.4R400 K426R400-T404 WeakPolarHBondContact O-CA 3.45Å; R400-T404 VanDerWaalsContact O-CB 3.3Å; R400-T404 WeakPolarHBondContact O-CB 3.25Å; R400-T404 PolarHBondContact O-N 3.38Å; T404-K426 PolarHBondContact O-NZ 3.42Å
405E94.6Very high97.2Very high158 Ų15874.8 Ų74.874%0.73835%0.35SS*.PPolyproline II helixtrans-78.8139.8167.6-66-172.8177.400109.8
406E96Very high97.4Very high25 Ų2568.7 Ų68.712%0.11732%0.322CS..PPolyproline II helixtrans-67.8151.9175.469.8-69.616600111.7Y376 P384 Y408 L424Y376-E406 HydrophobicContact CD2-CG 4.42Å; Y376-E406 HydrophobicContact CE2-CB 4.2Å; Y376-E406 HydrophobicContact CE2-CG 4.31Å; P384-E406 HydrophobicContact CB-CB 4.07Å; E406-Y408 VanDerWaalsContact CD-OH 3.24Å; E406-Y408 HydrophobicContact CG-CD2 4.46Å; E406-Y408 HydrophobicContact CG-CE1 4.27Å; E406-Y408 HydrophobicContact CG-CE2 3.49Å; E406-Y408 VanDerWaalsContact CG-CE2 3.49Å; E406-Y408 WeakPolarHBondContact CG-OH 3.38Å; E406-Y408 WeakPolarHBondContact OE1-CE2 3.29Å; E406-Y408 PolarHBondContact OE1-OH 2.85Å; E406-L424 HydrophobicContact CG-CD1 3.87Å
407V96.2Very high97.4Very high113 Ų11368.9 Ų68.969%0.68532%0.323SS*.  trans-112.5136.1-179.6179.60000109.2Y376Y376-V407 VanDerWaalsContact CE2-O 3.31Å; Y376-V407 WeakPolarHBondContact CE2-O 3.24Å; Y376-V407 PolarHBondContact OH-O 3.3Å
408Y97.7Very high97.5Very high29 Ų2971.1 Ų71.111%0.11434%0.339CS..  trans-105.7127.9-177.6-61.1-88.4000110.1Y376 E406 F412 E417 C420 K421Y376-Y408 HydrophobicContact CD2-CD1 4.18Å; Y376-Y408 AromaticContact CD2-CE1 3.79Å; Y376-Y408 HydrophobicContact CD2-CE1 3.79Å; Y376-Y408 HydrophobicContact CE2-CD1 4.11Å; Y376-Y408 HydrophobicContact CE2-CE1 4.07Å; E406-Y408 VanDerWaalsContact CD-OH 3.24Å; E406-Y408 HydrophobicContact CG-CD2 4.46Å; E406-Y408 HydrophobicContact CG-CE1 4.27Å; E406-Y408 HydrophobicContact CG-CE2 3.49Å; E406-Y408 VanDerWaalsContact CG-CE2 3.49Å; E406-Y408 WeakPolarHBondContact CG-OH 3.38Å; E406-Y408 WeakPolarHBondContact OE1-CE2 3.29Å; E406-Y408 PolarHBondContact OE1-OH 2.85Å; Y408-F412 AromaticContact CD1-CD1 3.71Å; Y408-F412 HydrophobicContact CD1-CD1 3.71Å; Y408-F412 AromaticContact CD1-CD2 3.9Å; Y408-F412 HydrophobicContact CD1-CD2 3.9Å; Y408-F412 AromaticContact CD1-CE1 3.75Å; Y408-F412 HydrophobicContact CD1-CE1 3.75Å; Y408-F412 AromaticContact CD1-CE2 3.94Å; Y408-F412 HydrophobicContact CD1-CE2 3.94Å; Y408-F412 AromaticContact CD1-CG 3.79Å; Y408-F412 HydrophobicContact CD1-CG 3.79Å; Y408-F412 AromaticContact CD1-CZ 3.87Å; Y408-F412 HydrophobicContact CD1-CZ 3.87Å; Y408-F412 HydrophobicContact CE1-CD1 4.22Å; Y408-F412 HydrophobicContact CE1-CE1 4.02Å; Y408-F412 HydrophobicContact CE1-CZ 4.34Å; Y408-F412 HydrophobicContact CG-CD2 4.49Å; Y408-E417 HydrophobicContact CD1-CB 4.19Å; Y408-E417 HydrophobicContact CD1-CG 3.94Å; Y408-E417 HydrophobicContact CD2-CG 3.69Å; Y408-E417 HydrophobicContact CE1-CG 4.23Å; Y408-E417 HydrophobicContact CE2-CG 4.02Å; Y408-E417 HydrophobicContact CG-CB 4.29Å; Y408-E417 HydrophobicContact CG-CG 3.65Å; Y408-C420 HydrophobicContact CE1-CB 3.49Å; Y408-C420 VanDerWaalsContact CE1-CB 3.49Å; Y408-C420 VanDerWaalsContact OH-CB 3.24Å; Y408-C420 WeakPolarHBondContact OH-CB 3.35Å; Y408-K421 HydrophobicContact CE2-CD 4.16Å; Y408-K421 VanDerWaalsContact CE2-CE 3.5Å; Y408-K421 HydrophobicContact CE2-CG 3.62Å; Y408-K421 WeakPolarHBondContact OH-CG 3.5Å; Y408-K421 PolarHBondContact OH-N 3.05Å
409S97.2Very high97.6Very high38 Ų3870.4 Ų70.427%0.26634%0.335SS..  trans-82.7175.6173.781.40000111E380 K411 F412E380-S409 WeakPolarHBondContact OE2-CB 3.42Å; E380-S409 PolarHBondContact OE2-OG 3.39Å; S409-K411 PolarHBondContact O-N 2.72Å; S409-K411 WeakPolarHBondContact OG-CB 3.22Å; S409-K411 WeakPolarHBondContact OG-CG 3.36Å; S409-K411 PolarHBondContact OG-N 2.97Å; S409-F412 PolarHBondContact O-N 2.77Å
410R97.2Very high97.6Very high254 Ų25465.8 Ų65.896%0.95832%0.317SS*.THydrogen-bonded Turntrans-60.4-2.1173.369.1-179.3-179.7-171.60.5115.3F412R410-F412 VanDerWaalsContact C-N 3.32Å
411K97.5Very high97.7Very high94 Ų9467.8 Ų67.841%0.40933%0.327SS..THydrogen-bonded Turntrans-76.9-18.2176.1-68.3-175.3172.4-172.40113P281 I379 E380 S409P281-K411 PolarHBondContact O-NZ 3.49Å; I379-K411 HydrophobicContact CG2-CB 3.85Å; I379-K411 WeakPolarHBondContact CG2-O 3.41Å; I379-K411 VanDerWaalsContact O-CD 3.26Å; I379-K411 WeakPolarHBondContact O-CD 3.05Å; I379-K411 PolarHBondContact O-NZ 3.1Å; E380-K411 PolarHBondContact O-NZ 3.34Å; S409-K411 PolarHBondContact O-N 2.72Å; S409-K411 WeakPolarHBondContact OG-CB 3.22Å; S409-K411 WeakPolarHBondContact OG-CG 3.36Å; S409-K411 PolarHBondContact OG-N 2.97Å
412F98.6Very high97.7Very high20 Ų2071.4 Ų71.49%0.08835%0.346CS..SBendtrans-90.7131.8-179.3-69.1-98.5000110.7Y376 I379 E380 Y408 S409 R410 A416 E417Y376-F412 HydrophobicContact CD2-CE1 4.34Å; Y376-F412 AromaticContact CD2-CZ 3.75Å; Y376-F412 HydrophobicContact CD2-CZ 3.75Å; Y376-F412 HydrophobicContact CE2-CE2 4.4Å; Y376-F412 HydrophobicContact CE2-CZ 4.06Å; Y376-F412 HydrophobicContact CG-CZ 4.1Å; I379-F412 HydrophobicContact CB-CD1 4.32Å; I379-F412 HydrophobicContact CB-CE1 3.82Å; I379-F412 HydrophobicContact CB-CE2 4.35Å; I379-F412 HydrophobicContact CB-CZ 3.84Å; I379-F412 HydrophobicContact CD1-CD1 3.88Å; I379-F412 HydrophobicContact CD1-CE1 3.8Å; I379-F412 HydrophobicContact CG1-CE1 4.39Å; I379-F412 HydrophobicContact CG2-CD1 3.93Å; I379-F412 HydrophobicContact CG2-CD2 3.94Å; I379-F412 HydrophobicContact CG2-CE1 3.86Å; I379-F412 HydrophobicContact CG2-CE2 3.87Å; I379-F412 HydrophobicContact CG2-CG 3.97Å; I379-F412 HydrophobicContact CG2-CZ 3.83Å; E380-F412 HydrophobicContact CB-CE2 3.95Å; E380-F412 HydrophobicContact CB-CZ 4.08Å; E380-F412 WeakPolarHBondContact OE2-CE2 3.43Å; Y408-F412 AromaticContact CD1-CD1 3.71Å; Y408-F412 HydrophobicContact CD1-CD1 3.71Å; Y408-F412 AromaticContact CD1-CD2 3.9Å; Y408-F412 HydrophobicContact CD1-CD2 3.9Å; Y408-F412 AromaticContact CD1-CE1 3.75Å; Y408-F412 HydrophobicContact CD1-CE1 3.75Å; Y408-F412 AromaticContact CD1-CE2 3.94Å; Y408-F412 HydrophobicContact CD1-CE2 3.94Å; Y408-F412 AromaticContact CD1-CG 3.79Å; Y408-F412 HydrophobicContact CD1-CG 3.79Å; Y408-F412 AromaticContact CD1-CZ 3.87Å; Y408-F412 HydrophobicContact CD1-CZ 3.87Å; Y408-F412 HydrophobicContact CE1-CD1 4.22Å; Y408-F412 HydrophobicContact CE1-CE1 4.02Å; Y408-F412 HydrophobicContact CE1-CZ 4.34Å; Y408-F412 HydrophobicContact CG-CD2 4.49Å; S409-F412 PolarHBondContact O-N 2.77Å; R410-F412 VanDerWaalsContact C-N 3.32Å; F412-A416 HydrophobicContact CB-CB 4.43Å; F412-A416 HydrophobicContact CD1-CB 3.98Å; F412-E417 HydrophobicContact CB-CB 4.2Å
413S98.5Very high97.7Very high31 Ų3168.8 Ų68.822%0.21733%0.332CS..  trans-66.7165.9158.271.50000111.3E285 E415 A416 E417E285-S413 WeakPolarHBondContact OE1-CB 3.47Å; E285-S413 PolarHBondContact OE1-OG 2.84Å; E285-S413 WeakPolarHBondContact OE2-CB 3.44Å; E285-S413 PolarHBondContact OE2-N 2.67Å; E285-S413 VanDerWaalsContact OE2-N 3.14Å; E285-S413 PolarHBondContact OE2-OG 3.47Å; S413-E415 PolarHBondContact O-N 3.11Å; S413-E415 PolarHBondContact OG-N 2.78Å; S413-A416 PolarHBondContact O-N 3.08Å; S413-A416 WeakPolarHBondContact OG-CB 3.35Å; S413-A416 PolarHBondContact OG-N 3.35Å; S413-E417 WeakPolarHBondContact O-CB 3.4Å; S413-E417 PolarHBondContact O-N 2.92Å
414E98.4Very high97.8Very high166 Ų16662.8 Ų62.878%0.77630%0.304SS*.Hα-helixtrans-57.8-40.1173.7-65.5-176.5178.300111.1S418E414-S418 WeakPolarHBondContact O-CB 3.3Å; E414-S418 PolarHBondContact O-N 2.83Å
415E98.6Very high98Very high47 Ų4761.9 Ų61.922%0.2230%0.298CS..Hα-helixtrans-72.2-35.8178.9-6487.1166.100113.1S413 S418 I419 H445 P446 F447 R449S413-E415 PolarHBondContact O-N 3.11Å; S413-E415 PolarHBondContact OG-N 2.78Å; E415-S418 PolarHBondContact O-N 3.29Å; E415-I419 PolarHBondContact O-N 2.92Å; E415-H445 PolarHBondContact O-CE1 3.46Å; E415-P446 HydrophobicContact CG-CB 3.91Å; E415-F447 HydrophobicContact CB-CB 4.44Å; E415-R449 IonicContact OE1-CZ 2.98Å; E415-R449 VanDerWaalsContact OE1-CZ 3.27Å; E415-R449 IonicContact OE1-NH1 2.72Å; E415-R449 PolarHBondContact OE1-NH1 3.3Å; E415-R449 IonicContact OE1-NH2 2.87Å; E415-R449 PolarHBondContact OE1-NH2 2.9Å; E415-R449 IonicContact OE2-NH2 3.71Å; E415-R449 PolarHBondContact OE2-NH2 2.89Å
416A98.7Very high98.2Very high0 Ų057.1 Ų57.10%028%0.275CS..Hα-helixtrans-69-42.617600000112E285 I379 F412 S413 I419 C420 F447E285-A416 HydrophobicContact CG-CB 4.38Å; I379-A416 HydrophobicContact CD1-CB 3.78Å; F412-A416 HydrophobicContact CB-CB 4.43Å; F412-A416 HydrophobicContact CD1-CB 3.98Å; S413-A416 PolarHBondContact O-N 3.08Å; S413-A416 WeakPolarHBondContact OG-CB 3.35Å; S413-A416 PolarHBondContact OG-N 3.35Å; A416-I419 WeakPolarHBondContact O-CG2 3.37Å; A416-C420 WeakPolarHBondContact O-CB 3.28Å; A416-C420 PolarHBondContact O-N 3.34Å; A416-F447 HydrophobicContact CB-CD2 4.07Å; A416-F447 HydrophobicContact CB-CE2 3.9Å
417E98.7Very high98.3Very high62 Ų6260 Ų6029%0.2929%0.291SS..Hα-helixtrans-62.2-45172.7177.7172.2162.600110.9Y408 F412 S413 I419 C420 K421Y408-E417 HydrophobicContact CD1-CB 4.19Å; Y408-E417 HydrophobicContact CD1-CG 3.94Å; Y408-E417 HydrophobicContact CD2-CG 3.69Å; Y408-E417 HydrophobicContact CE1-CG 4.23Å; Y408-E417 HydrophobicContact CE2-CG 4.02Å; Y408-E417 HydrophobicContact CG-CB 4.29Å; Y408-E417 HydrophobicContact CG-CG 3.65Å; F412-E417 HydrophobicContact CB-CB 4.2Å; S413-E417 WeakPolarHBondContact O-CB 3.4Å; S413-E417 PolarHBondContact O-N 2.92Å; E417-I419 PolarHBondContact O-N 2.87Å; E417-C420 PolarHBondContact O-N 3.18Å; E417-K421 HydrophobicContact CG-CD 4.06Å; E417-K421 HydrophobicContact CG-CG 4.46Å; E417-K421 WeakPolarHBondContact O-CG 3.35Å; E417-K421 PolarHBondContact O-N 3.03Å; E417-K421 WeakPolarHBondContact OE1-CE 3.43Å; E417-K421 IonicContact OE1-NZ 3.77Å; E417-K421 PolarHBondContact OE1-NZ 3.08Å
418S98.8Very high98.3Very high48 Ų4855.5 Ų55.534%0.33627%0.266SS..Hα-helixtrans-57-51.3178.51790000112.2E414 E415 C420 K421 M422 H445E414-S418 WeakPolarHBondContact O-CB 3.3Å; E414-S418 PolarHBondContact O-N 2.83Å; E415-S418 PolarHBondContact O-N 3.29Å; S418-C420 VanDerWaalsContact C-N 3.34Å; S418-C420 PolarHBondContact O-N 2.86Å; S418-K421 PolarHBondContact O-N 3.07Å; S418-M422 VanDerWaalsContact O-CG 3.29Å; S418-M422 WeakPolarHBondContact O-CG 3.37Å; S418-M422 PolarHBondContact O-N 3.31Å; S418-H445 PolarHBondContact OG-NE2 3.4Å; S418-H445 VanDerWaalsContact OG-NE2 3.15Å
419I98.8Very high98.3Very high0 Ų061.6 Ų61.60%029%0.293CS..Hα-helixtrans-64.9-40-178.2-163.3170.6000111.7I375 E415 A416 E417 M422 L423 L432 V442 H445 F447 F448I375-I419 HydrophobicContact CD1-CD1 4.39Å; I375-I419 HydrophobicContact CD1-CG2 4.35Å; I375-I419 HydrophobicContact CG2-CG2 4.43Å; E415-I419 PolarHBondContact O-N 2.92Å; A416-I419 WeakPolarHBondContact O-CG2 3.37Å; E417-I419 PolarHBondContact O-N 2.87Å; I419-M422 PolarHBondContact O-N 3.41Å; I419-L423 HydrophobicContact CD1-CD1 4.36Å; I419-L423 HydrophobicContact CG1-CD1 3.86Å; I419-L423 HydrophobicContact CG1-CG 4.29Å; I419-L423 WeakPolarHBondContact O-CB 3.3Å; I419-L423 WeakPolarHBondContact O-CG 3.31Å; I419-L423 PolarHBondContact O-N 3.17Å; I419-L432 HydrophobicContact CG1-CD2 4.05Å; I419-V442 HydrophobicContact CD1-CG1 4.43Å; I419-H445 VanDerWaalsContact CB-CE1 3.48Å; I419-H445 WeakPolarHBondContact CB-CE1 3.24Å; I419-H445 HydrophobicContact CD1-CB 4.16Å; I419-H445 PolarHBondContact N-CE1 3.04Å; I419-F447 HydrophobicContact CB-CB 4.09Å; I419-F447 HydrophobicContact CB-CG 4.37Å; I419-F447 HydrophobicContact CD1-CB 3.96Å; I419-F447 HydrophobicContact CD1-CD1 3.71Å; I419-F447 HydrophobicContact CD1-CG 4.12Å; I419-F447 HydrophobicContact CG2-CB 4Å; I419-F447 HydrophobicContact CG2-CD1 4.02Å; I419-F447 HydrophobicContact CG2-CD2 4.06Å; I419-F447 HydrophobicContact CG2-CE1 4.5Å; I419-F447 HydrophobicContact CG2-CG 3.77Å; I419-F448 HydrophobicContact CD1-CD2 4.04Å; I419-F448 HydrophobicContact CD1-CE2 3.49Å; I419-F448 VanDerWaalsContact CD1-CE2 3.49Å; I419-F448 HydrophobicContact CD1-CZ 4.27Å
420C98.6Very high98.3Very high0 Ų066.2 Ų66.20%031%0.311CS..Hα-helixtrans-61.3-48177.2-81.20000111.1I375 Y408 A416 E417 S418 M422 L423 L424I375-C420 WeakPolarHBondContact CG2-SG 3.41Å; Y408-C420 HydrophobicContact CE1-CB 3.49Å; Y408-C420 VanDerWaalsContact CE1-CB 3.49Å; Y408-C420 VanDerWaalsContact OH-CB 3.24Å; Y408-C420 WeakPolarHBondContact OH-CB 3.35Å; A416-C420 WeakPolarHBondContact O-CB 3.28Å; A416-C420 PolarHBondContact O-N 3.34Å; E417-C420 PolarHBondContact O-N 3.18Å; S418-C420 VanDerWaalsContact C-N 3.34Å; S418-C420 PolarHBondContact O-N 2.86Å; C420-M422 VanDerWaalsContact C-N 3.33Å; C420-M422 PolarHBondContact O-N 2.9Å; C420-L423 PolarHBondContact O-N 3.07Å; C420-L424 VanDerWaalsContact O-CB 3.23Å; C420-L424 WeakPolarHBondContact O-CB 3.46Å; C420-L424 VanDerWaalsContact O-CG 3.31Å; C420-L424 WeakPolarHBondContact O-CG 3.42Å; C420-L424 PolarHBondContact O-N 2.98Å
421K98.6Very high98.4Very high94 Ų9454.1 Ų54.141%0.40927%0.265SS..Hα-helixtrans-58-44.9176.7-76.6179.4168.31740111.9Y408 E417 S418 L423 L424 T425Y408-K421 HydrophobicContact CE2-CD 4.16Å; Y408-K421 VanDerWaalsContact CE2-CE 3.5Å; Y408-K421 HydrophobicContact CE2-CG 3.62Å; Y408-K421 WeakPolarHBondContact OH-CG 3.5Å; Y408-K421 PolarHBondContact OH-N 3.05Å; E417-K421 HydrophobicContact CG-CD 4.06Å; E417-K421 HydrophobicContact CG-CG 4.46Å; E417-K421 WeakPolarHBondContact O-CG 3.35Å; E417-K421 PolarHBondContact O-N 3.03Å; E417-K421 WeakPolarHBondContact OE1-CE 3.43Å; E417-K421 IonicContact OE1-NZ 3.77Å; E417-K421 PolarHBondContact OE1-NZ 3.08Å; S418-K421 PolarHBondContact O-N 3.07Å; K421-L423 PolarHBondContact O-N 3.22Å; K421-L424 CarbonylContact O-C 3.47Å; K421-L424 PolarHBondContact O-N 2.79Å; K421-T425 PolarHBondContact O-N 3.28Å; K421-T425 PolarHBondContact O-OG1 3.02Å
422M98.7Very high98.4Very high77 Ų7750.1 Ų50.138%0.37925%0.248SC..Hα-helixtrans-66.3-37.8-179.3-68.2-179.775.700112.6S418 I419 C420 T425 L432S418-M422 VanDerWaalsContact O-CG 3.29Å; S418-M422 WeakPolarHBondContact O-CG 3.37Å; S418-M422 PolarHBondContact O-N 3.31Å; I419-M422 PolarHBondContact O-N 3.41Å; C420-M422 VanDerWaalsContact C-N 3.33Å; C420-M422 PolarHBondContact O-N 2.9Å; M422-T425 WeakPolarHBondContact O-CB 3.48Å; M422-T425 PolarHBondContact O-OG1 3.42Å; M422-L432 HydrophobicContact CB-CB 3.85Å; M422-L432 HydrophobicContact CB-CD2 4.08Å; M422-L432 HydrophobicContact CE-CB 4.48Å; M422-L432 HydrophobicContact CE-CD1 4.06Å; M422-L432 HydrophobicContact CE-CD2 4.46Å; M422-L432 PolarHBondContact O-N 3.27Å; M422-L432 VanDerWaalsContact O-N 3.15Å
423L98.8Very high98.4Very high0 Ų049.3 Ų49.30%025%0.246CC..Hα-helixtrans-76.6-32.5175.6-70170.4000113.2Y368 L371 I375 I419 C420 K421 T425 R431 L432Y368-L423 HydrophobicContact CD1-CD2 4.47Å; L371-L423 HydrophobicContact CB-CD1 4.43Å; L371-L423 HydrophobicContact CD2-CD1 4.14Å; L371-L423 HydrophobicContact CG-CD1 4.02Å; I375-L423 HydrophobicContact CD1-CD1 3.75Å; I419-L423 HydrophobicContact CD1-CD1 4.36Å; I419-L423 HydrophobicContact CG1-CD1 3.86Å; I419-L423 HydrophobicContact CG1-CG 4.29Å; I419-L423 WeakPolarHBondContact O-CB 3.3Å; I419-L423 WeakPolarHBondContact O-CG 3.31Å; I419-L423 PolarHBondContact O-N 3.17Å; C420-L423 PolarHBondContact O-N 3.07Å; K421-L423 PolarHBondContact O-N 3.22Å; L423-T425 PolarHBondContact O-N 3.25Å; L423-R431 WeakPolarHBondContact O-CD 3.3Å; L423-R431 VanDerWaalsContact O-CG 3.22Å; L423-R431 WeakPolarHBondContact O-CG 3.49Å; L423-R431 PolarHBondContact O-NE 3.18Å; L423-L432 HydrophobicContact CD2-CB 4.13Å; L423-L432 HydrophobicContact CD2-CD2 4.29Å; L423-L432 HydrophobicContact CD2-CG 4.35Å; L423-L432 WeakPolarHBondContact CD2-O 3.38Å; L423-L432 HydrophobicContact CG-CD2 4.32Å
424L98.8Very high98.3Very high4 Ų449.7 Ų49.72%0.02125%0.248CC..THydrogen-bonded Turntrans-88.514.4176.4-64.2175.3000112.7W369 E406 C420 K421 K426W369-L424 HydrophobicContact CD2-CD2 3.99Å; W369-L424 HydrophobicContact CE3-CD2 4.07Å; W369-L424 HydrophobicContact CH2-CD2 4.17Å; W369-L424 HydrophobicContact CZ2-CD2 4.08Å; W369-L424 HydrophobicContact CZ3-CB 4.26Å; W369-L424 HydrophobicContact CZ3-CD2 4.18Å; W369-L424 WeakPolarHBondContact CZ3-O 3.33Å; E406-L424 HydrophobicContact CG-CD1 3.87Å; C420-L424 VanDerWaalsContact O-CB 3.23Å; C420-L424 WeakPolarHBondContact O-CB 3.46Å; C420-L424 VanDerWaalsContact O-CG 3.31Å; C420-L424 WeakPolarHBondContact O-CG 3.42Å; C420-L424 PolarHBondContact O-N 2.98Å; K421-L424 CarbonylContact O-C 3.47Å; K421-L424 PolarHBondContact O-N 2.79Å; L424-K426 PolarHBondContact O-N 2.85Å
425T98.7Very high98Very high40 Ų4046.1 Ų46.125%0.24523%0.231CC..  trans-57.1121.7167.4-57.80000109.7K421 M422 L423 D427 Q430 R431K421-T425 PolarHBondContact O-N 3.28Å; K421-T425 PolarHBondContact O-OG1 3.02Å; M422-T425 WeakPolarHBondContact O-CB 3.48Å; M422-T425 PolarHBondContact O-OG1 3.42Å; L423-T425 PolarHBondContact O-N 3.25Å; T425-D427 PolarHBondContact O-N 3.32Å; T425-Q430 HydrophobicContact CG2-CB 3.88Å; T425-R431 PolarHBondContact O-NE 3.42Å; T425-R431 PolarHBondContact O-NH2 2.78Å
426K98.4Very high97.5Very high57 Ų5753.7 Ų53.725%0.24827%0.266CS..SBendtrans-67.9-36.7-174.4-58.6-171.6-171.2-58.30112.8P354 W369 V401 L402 T404 L424 A428 R431P354-K426 HydrophobicContact CG-CB 4.07Å; P354-K426 HydrophobicContact CG-CG 4.33Å; W369-K426 HydrophobicContact CZ3-CG 4.5Å; V401-K426 PolarHBondContact O-NZ 3.26Å; L402-K426 VanDerWaalsContact O-CD 3.23Å; L402-K426 WeakPolarHBondContact O-CD 3.24Å; L402-K426 WeakPolarHBondContact O-CE 3.41Å; T404-K426 PolarHBondContact O-NZ 3.42Å; L424-K426 PolarHBondContact O-N 2.85Å; K426-A428 PolarHBondContact O-N 3.36Å; K426-R431 PolarHBondContact O-NH2 3.1Å
427D98.1Very high97.1Very high85 Ų8558.7 Ų58.746%0.45529%0.29SS..SBendtrans-76.7111.5171-176.72.3000110.3T425 K429 Q430 R431T425-D427 PolarHBondContact O-N 3.32Å; D427-K429 PolarHBondContact O-N 2.92Å; D427-K429 VanDerWaalsContact O-N 3.12Å; D427-K429 WeakPolarHBondContact OD1-CB 3.5Å; D427-K429 PolarHBondContact OD1-N 3.2Å; D427-Q430 PolarHBondContact O-N 2.9Å; D427-R431 PolarHBondContact O-N 3.3Å
428A98Very high96.9Very high20 Ų2056.6 Ų56.617%0.16529%0.285CS..THydrogen-bonded Turntrans-55.9-28.617800000113.2E355 K426 Q430 R431 C434E355-A428 HydrophobicContact CG-CB 4.46Å; K426-A428 PolarHBondContact O-N 3.36Å; A428-Q430 VanDerWaalsContact C-N 3.26Å; A428-Q430 PolarHBondContact O-N 2.81Å; A428-R431 PolarHBondContact O-N 3.09Å; A428-C434 WeakPolarHBondContact O-CB 3.3Å
429K96.6Very high96.8Very high157 Ų15754.6 Ų54.668%0.68327%0.271SS*.THydrogen-bonded Turntrans-74.4-14.1179.2-64.2-178.6179.1-179.20114.1D427 Q435D427-K429 PolarHBondContact O-N 2.92Å; D427-K429 VanDerWaalsContact O-N 3.12Å; D427-K429 WeakPolarHBondContact OD1-CB 3.5Å; D427-K429 PolarHBondContact OD1-N 3.2Å; K429-Q435 PolarHBondContact O-NE2 3.2Å
430Q97.7Very high96.7Very high134 Ų13456.5 Ų56.563%0.62629%0.287SS*.THydrogen-bonded Turntrans-113.5-1.9178.1-61.8-59.4-47.100111.6T425 D427 A428T425-Q430 HydrophobicContact CG2-CB 3.88Å; D427-Q430 PolarHBondContact O-N 2.9Å; A428-Q430 VanDerWaalsContact C-N 3.26Å; A428-Q430 PolarHBondContact O-N 2.81Å
431R98.5Very high96.6Very high0 Ų058.1 Ų58.10%029%0.294CS..SBendtrans-73.1136.5-178.2-171.3-178-60.5144.88.3110.6E355 S365 L423 T425 K426 D427 A428 G433 C434E355-R431 IonicContact OE1-CZ 2.83Å; E355-R431 IonicContact OE1-NH1 3.86Å; E355-R431 PolarHBondContact OE1-NH1 3.43Å; E355-R431 IonicContact OE1-NH2 3.25Å; E355-R431 IonicContact OE2-CZ 2.64Å; E355-R431 IonicContact OE2-NH1 2.63Å; E355-R431 PolarHBondContact OE2-NH1 3.16Å; E355-R431 IonicContact OE2-NH2 2.73Å; E355-R431 PolarHBondContact OE2-NH2 2.86Å; S365-R431 PolarHBondContact O-NH1 3.05Å; L423-R431 WeakPolarHBondContact O-CD 3.3Å; L423-R431 VanDerWaalsContact O-CG 3.22Å; L423-R431 WeakPolarHBondContact O-CG 3.49Å; L423-R431 PolarHBondContact O-NE 3.18Å; T425-R431 PolarHBondContact O-NE 3.42Å; T425-R431 PolarHBondContact O-NH2 2.78Å; K426-R431 PolarHBondContact O-NH2 3.1Å; D427-R431 PolarHBondContact O-N 3.3Å; A428-R431 PolarHBondContact O-N 3.09Å; R431-G433 PolarHBondContact O-N 2.73Å; R431-C434 HydrophobicContact CB-CB 4.4Å; R431-C434 VanDerWaalsContact O-CB 3.29Å; R431-C434 WeakPolarHBondContact O-CB 3.37Å; R431-C434 PolarHBondContact O-N 3.32Å; R431-C434 VanDerWaalsContact O-N 3.09Å
432L98.6Very high96.6Very high11 Ų1153.6 Ų53.66%0.05828%0.275CS..THydrogen-bonded Turntrans-59.1135.4172.9-17868.2000110.4I419 M422 L423 E441 V442 H445I419-L432 HydrophobicContact CG1-CD2 4.05Å; M422-L432 HydrophobicContact CB-CB 3.85Å; M422-L432 HydrophobicContact CB-CD2 4.08Å; M422-L432 HydrophobicContact CE-CB 4.48Å; M422-L432 HydrophobicContact CE-CD1 4.06Å; M422-L432 HydrophobicContact CE-CD2 4.46Å; M422-L432 PolarHBondContact O-N 3.27Å; M422-L432 VanDerWaalsContact O-N 3.15Å; L423-L432 HydrophobicContact CD2-CB 4.13Å; L423-L432 HydrophobicContact CD2-CD2 4.29Å; L423-L432 HydrophobicContact CD2-CG 4.35Å; L423-L432 WeakPolarHBondContact CD2-O 3.38Å; L423-L432 HydrophobicContact CG-CD2 4.32Å; L432-E441 HydrophobicContact CD1-CB 4.08Å; L432-E441 HydrophobicContact CD1-CG 3.97Å; L432-V442 HydrophobicContact CD2-CG1 4.36Å; L432-V442 HydrophobicContact CG-CG2 4.14Å; L432-H445 HydrophobicContact CD2-CB 4.48Å
433G97.5Very high96.5Very high3 Ų351.8 Ų51.83%0.03127%0.265CS..THydrogen-bonded Turntrans90.9-9.3-172.600000114.4Y368 R431 G438 E441Y368-G433 WeakPolarHBondContact CE2-O 3.49Å; Y368-G433 VanDerWaalsContact CZ-O 3.25Å; Y368-G433 PolarHBondContact OH-O 3.5Å; R431-G433 PolarHBondContact O-N 2.73Å; G433-G438 WeakPolarHBondContact CA-O 3.37Å; G433-G438 WeakPolarHBondContact O-CA 3.26Å; G433-E441 WeakPolarHBondContact CA-OE1 3.35Å; G433-E441 VanDerWaalsContact N-CD 3.34Å; G433-E441 PolarHBondContact N-OE1 2.93Å
434C96.4Very high96.4Very high39 Ų3958.7 Ų58.726%0.26429%0.291SS..  trans-104.52.6-174.3-57.80000114.1S365 A428 R431 E441S365-C434 WeakPolarHBondContact CB-SG 3.48Å; A428-C434 WeakPolarHBondContact O-CB 3.3Å; R431-C434 HydrophobicContact CB-CB 4.4Å; R431-C434 VanDerWaalsContact O-CB 3.29Å; R431-C434 WeakPolarHBondContact O-CB 3.37Å; R431-C434 PolarHBondContact O-N 3.32Å; R431-C434 VanDerWaalsContact O-N 3.09Å; C434-E441 PolarHBondContact N-OE1 2.73Å; C434-E441 VanDerWaalsContact N-OE1 3.1Å
435Q91.6Very high96.4Very high90 Ų9059.1 Ų59.142%0.42129%0.293SS..SBendtrans-84.5-176.3172.1-54.4-53.6-45.200111.6K429 E437 G438 E441K429-Q435 PolarHBondContact O-NE2 3.2Å; Q435-E437 PolarHBondContact O-N 3.42Å; Q435-E437 VanDerWaalsContact O-N 3.11Å; Q435-G438 PolarHBondContact O-N 3.29Å; Q435-G438 VanDerWaalsContact O-N 3.14Å; Q435-E441 PolarHBondContact N-OE1 2.91Å; Q435-E441 VanDerWaalsContact N-OE1 3.1Å
436E89.3Confident96.4Very high206 Ų20660.4 Ų60.496%0.96330%0.302SS*.THydrogen-bonded Turntrans-55.3-28.9179.6-64.1-174.2171.400113.5
437E90.4Very high96.4Very high105 Ų10558 Ų5849%0.49129%0.291SS..THydrogen-bonded Turntrans-84.6-11.3-176.6-62.8-158.1-119.300114.7Q435 A439 A440 E441 R444Q435-E437 PolarHBondContact O-N 3.42Å; Q435-E437 VanDerWaalsContact O-N 3.11Å; E437-A439 PolarHBondContact O-N 2.76Å; E437-A440 HydrophobicContact CB-CB 4.44Å; E437-A440 VanDerWaalsContact O-CB 3.29Å; E437-A440 WeakPolarHBondContact O-CB 3.33Å; E437-A440 PolarHBondContact O-N 3.31Å; E437-E441 HydrophobicContact CB-CB 4.24Å; E437-E441 HydrophobicContact CB-CG 4.32Å; E437-R444 IonicContact OE1-CZ 2.62Å; E437-R444 IonicContact OE1-NH2 2.68Å; E437-R444 PolarHBondContact OE1-NH2 2.94Å; E437-R444 IonicContact OE2-CZ 2.81Å; E437-R444 IonicContact OE2-NH1 3.08Å; E437-R444 PolarHBondContact OE2-NH1 3.5Å; E437-R444 IonicContact OE2-NH2 2.68Å; E437-R444 PolarHBondContact OE2-NH2 3.33Å
438G94.3Very high96.4Very high18 Ų1854.1 Ų54.119%0.18627%0.27CS..THydrogen-bonded Turntrans53.6-128175.200000113.9G433 Q435 A440 E441G433-G438 WeakPolarHBondContact CA-O 3.37Å; G433-G438 WeakPolarHBondContact O-CA 3.26Å; Q435-G438 PolarHBondContact O-N 3.29Å; Q435-G438 VanDerWaalsContact O-N 3.14Å; G438-A440 PolarHBondContact O-N 3.49Å; G438-A440 VanDerWaalsContact O-N 3.15Å; G438-E441 WeakPolarHBondContact O-CG 3.45Å; G438-E441 PolarHBondContact O-N 3.01Å
439A96.6Very high96.3Very high7 Ų760.7 Ų60.76%0.05829%0.291CS..Hα-helixtrans-61.4-24.4179.500000113.5L296 E300 Y368 E437 E441 V442 K443L296-A439 HydrophobicContact CD1-CB 4.08Å; E300-A439 HydrophobicContact CB-CB 3.99Å; E300-A439 HydrophobicContact CG-CB 3.86Å; Y368-A439 PolarHBondContact OH-N 2.73Å; E437-A439 PolarHBondContact O-N 2.76Å; A439-E441 PolarHBondContact O-N 2.86Å; A439-V442 WeakPolarHBondContact O-CB 3.31Å; A439-V442 PolarHBondContact O-N 3.13Å; A439-K443 WeakPolarHBondContact O-CG 3.44Å; A439-K443 PolarHBondContact O-N 2.8Å
440A96.1Very high96.1Very high39 Ų3960.4 Ų60.432%0.32230%0.297SS..Hα-helixtrans-66.4-35.6-176.500000112.8E437 G438 K443 R444E437-A440 HydrophobicContact CB-CB 4.44Å; E437-A440 VanDerWaalsContact O-CB 3.29Å; E437-A440 WeakPolarHBondContact O-CB 3.33Å; E437-A440 PolarHBondContact O-N 3.31Å; G438-A440 PolarHBondContact O-N 3.49Å; G438-A440 VanDerWaalsContact O-N 3.15Å; A440-K443 PolarHBondContact O-N 2.85Å; A440-R444 WeakPolarHBondContact O-CG 3.09Å; A440-R444 PolarHBondContact O-N 3.35Å
441E96.6Very high96Very high34 Ų3455.2 Ų55.216%0.15927%0.273CS..Hα-helixtrans-67-38173.352.3170.4177.900111.7L432 G433 C434 Q435 E437 G438 A439 R444 H445L432-E441 HydrophobicContact CD1-CB 4.08Å; L432-E441 HydrophobicContact CD1-CG 3.97Å; G433-E441 WeakPolarHBondContact CA-OE1 3.35Å; G433-E441 VanDerWaalsContact N-CD 3.34Å; G433-E441 PolarHBondContact N-OE1 2.93Å; C434-E441 PolarHBondContact N-OE1 2.73Å; C434-E441 VanDerWaalsContact N-OE1 3.1Å; Q435-E441 PolarHBondContact N-OE1 2.91Å; Q435-E441 VanDerWaalsContact N-OE1 3.1Å; E437-E441 HydrophobicContact CB-CB 4.24Å; E437-E441 HydrophobicContact CB-CG 4.32Å; G438-E441 WeakPolarHBondContact O-CG 3.45Å; G438-E441 PolarHBondContact O-N 3.01Å; A439-E441 PolarHBondContact O-N 2.86Å; E441-R444 PolarHBondContact O-N 2.96Å; E441-H445 PolarHBondContact O-N 3.02Å
442V98.4Very high95.7Very high0 Ų057.1 Ų57.10%028%0.283CS..Hα-helixtrans-63.6-47.5175.9-165.10000110.3L296 Y368 L371 I419 L432 A439 R444 H445 F448L296-V442 HydrophobicContact CD1-CB 4.01Å; L296-V442 HydrophobicContact CD1-CG1 4.03Å; L296-V442 HydrophobicContact CD1-CG2 4.21Å; L296-V442 HydrophobicContact CD2-CB 3.81Å; L296-V442 HydrophobicContact CD2-CG1 3.67Å; L296-V442 HydrophobicContact CG-CG1 4.49Å; Y368-V442 HydrophobicContact CD1-CG2 4.04Å; Y368-V442 HydrophobicContact CE1-CG2 3.83Å; L371-V442 HydrophobicContact CD2-CG1 4.34Å; I419-V442 HydrophobicContact CD1-CG1 4.43Å; L432-V442 HydrophobicContact CD2-CG1 4.36Å; L432-V442 HydrophobicContact CG-CG2 4.14Å; A439-V442 WeakPolarHBondContact O-CB 3.31Å; A439-V442 PolarHBondContact O-N 3.13Å; V442-R444 PolarHBondContact O-N 3.44Å; V442-H445 VanDerWaalsContact O-CB 3.3Å; V442-H445 WeakPolarHBondContact O-CB 3.05Å; V442-H445 PolarHBondContact O-N 3.39Å; V442-H445 VanDerWaalsContact O-N 3.09Å; V442-F448 HydrophobicContact CG1-CE2 4.17Å; V442-F448 WeakPolarHBondContact O-CD2 3.28Å
443K98Very high95.5Very high38 Ų3857.6 Ų57.617%0.16529%0.285CS..Hα-helixtrans-59.4-28179.3-71.9-177.3169.6176.50113.2L296 E300 A439 A440 F453 E457L296-K443 HydrophobicContact CD2-CG 3.68Å; E300-K443 IonicContact OE1-NZ 2.71Å; E300-K443 WeakPolarHBondContact OE2-CE 3.48Å; E300-K443 IonicContact OE2-NZ 3.39Å; E300-K443 PolarHBondContact OE2-NZ 3.37Å; A439-K443 WeakPolarHBondContact O-CG 3.44Å; A439-K443 PolarHBondContact O-N 2.8Å; A440-K443 PolarHBondContact O-N 2.85Å; K443-F453 HydrophobicContact CB-CD2 3.87Å; K443-F453 HydrophobicContact CB-CE2 3.6Å; K443-F453 HydrophobicContact CB-CG 4.46Å; K443-F453 HydrophobicContact CB-CZ 4Å; K443-F453 HydrophobicContact CD-CB 4.25Å; K443-F453 HydrophobicContact CD-CD1 3.9Å; K443-F453 HydrophobicContact CD-CD2 4.05Å; K443-F453 HydrophobicContact CD-CE1 4.24Å; K443-F453 HydrophobicContact CD-CE2 4.39Å; K443-F453 HydrophobicContact CD-CG 3.79Å; K443-F453 HydrophobicContact CD-CZ 4.48Å; K443-F453 HydrophobicContact CG-CD1 3.94Å; K443-F453 HydrophobicContact CG-CD2 3.87Å; K443-F453 HydrophobicContact CG-CE1 3.77Å; K443-F453 HydrophobicContact CG-CE2 3.7Å; K443-F453 HydrophobicContact CG-CG 3.99Å; K443-F453 HydrophobicContact CG-CZ 3.65Å; K443-F453 WeakPolarHBondContact O-CE2 3.43Å; K443-E457 IonicContact NZ-OE1 3.18Å; K443-E457 PolarHBondContact NZ-OE1 3.29Å
444R96.4Very high95.2Very high145 Ų14560.4 Ų60.455%0.54730%0.296SS..THydrogen-bonded Turntrans-88.7-6.9178.7-69.6-167.7-50.6-98.34.6114.5E437 A440 E441 V442E437-R444 IonicContact OE1-CZ 2.62Å; E437-R444 IonicContact OE1-NH2 2.68Å; E437-R444 PolarHBondContact OE1-NH2 2.94Å; E437-R444 IonicContact OE2-CZ 2.81Å; E437-R444 IonicContact OE2-NH1 3.08Å; E437-R444 PolarHBondContact OE2-NH1 3.5Å; E437-R444 IonicContact OE2-NH2 2.68Å; E437-R444 PolarHBondContact OE2-NH2 3.33Å; A440-R444 WeakPolarHBondContact O-CG 3.09Å; A440-R444 PolarHBondContact O-N 3.35Å; E441-R444 PolarHBondContact O-N 2.96Å; V442-R444 PolarHBondContact O-N 3.44Å
445H98.5Very high95.1Very high13 Ų1362 Ų626%0.0630%0.296CS..SBendtrans-59.2139.8177.8-174.6-84.6000110.5E415 S418 I419 L432 E441 V442 F447 F448E415-H445 PolarHBondContact O-CE1 3.46Å; S418-H445 PolarHBondContact OG-NE2 3.4Å; S418-H445 VanDerWaalsContact OG-NE2 3.15Å; I419-H445 VanDerWaalsContact CB-CE1 3.48Å; I419-H445 WeakPolarHBondContact CB-CE1 3.24Å; I419-H445 HydrophobicContact CD1-CB 4.16Å; I419-H445 PolarHBondContact N-CE1 3.04Å; L432-H445 HydrophobicContact CD2-CB 4.48Å; E441-H445 PolarHBondContact O-N 3.02Å; V442-H445 VanDerWaalsContact O-CB 3.3Å; V442-H445 WeakPolarHBondContact O-CB 3.05Å; V442-H445 PolarHBondContact O-N 3.39Å; V442-H445 VanDerWaalsContact O-N 3.09Å; H445-F447 WeakPolarHBondContact ND1-CB 3.25Å; H445-F447 PolarHBondContact ND1-N 2.94Å; H445-F447 PolarHBondContact O-N 3.32Å; H445-F448 PolarHBondContact O-N 3.22Å
446P98.5Very high95.3Very high67 Ų6757.7 Ų57.744%0.43528%0.277SS..G310 helixtrans-53.6-25.6-177.8-31.337.2000115.9E415 F448 R449E415-P446 HydrophobicContact CG-CB 3.91Å; P446-F448 PolarHBondContact O-N 3.23Å; P446-R449 VanDerWaalsContact O-CB 3.29Å; P446-R449 WeakPolarHBondContact O-CB 3.48Å; P446-R449 VanDerWaalsContact O-CG 3.23Å; P446-R449 WeakPolarHBondContact O-CG 3.44Å; P446-R449 PolarHBondContact O-N 2.83Å
447F98.7Very high95.6Very high6 Ų650.2 Ų50.23%0.02624%0.242CC..G310 helixtrans-51.9-37169.8-178.4-108.9000112.3E285 L289 A292 I375 E415 A416 I419 H445E285-F447 HydrophobicContact CG-CE2 4.02Å; L289-F447 HydrophobicContact CB-CE1 3.93Å; L289-F447 HydrophobicContact CB-CE2 4.25Å; L289-F447 HydrophobicContact CB-CZ 3.62Å; L289-F447 WeakPolarHBondContact CD1-O 3.48Å; L289-F447 HydrophobicContact CG-CD1 4.36Å; L289-F447 HydrophobicContact CG-CE1 3.94Å; L289-F447 HydrophobicContact CG-CZ 4.05Å; A292-F447 HydrophobicContact CB-CE1 4.26Å; I375-F447 HydrophobicContact CD1-CE1 4.5Å; I375-F447 HydrophobicContact CG2-CZ 4.24Å; E415-F447 HydrophobicContact CB-CB 4.44Å; A416-F447 HydrophobicContact CB-CD2 4.07Å; A416-F447 HydrophobicContact CB-CE2 3.9Å; I419-F447 HydrophobicContact CB-CB 4.09Å; I419-F447 HydrophobicContact CB-CG 4.37Å; I419-F447 HydrophobicContact CD1-CB 3.96Å; I419-F447 HydrophobicContact CD1-CD1 3.71Å; I419-F447 HydrophobicContact CD1-CG 4.12Å; I419-F447 HydrophobicContact CG2-CB 4Å; I419-F447 HydrophobicContact CG2-CD1 4.02Å; I419-F447 HydrophobicContact CG2-CD2 4.06Å; I419-F447 HydrophobicContact CG2-CE1 4.5Å; I419-F447 HydrophobicContact CG2-CG 3.77Å; H445-F447 WeakPolarHBondContact ND1-CB 3.25Å; H445-F447 PolarHBondContact ND1-N 2.94Å; H445-F447 PolarHBondContact O-N 3.32Å
448F98.4Very high95.7Very high4 Ų447.2 Ų47.22%0.01823%0.234CC..G310 helixtrans-98.816.4178.8-63.8-64.9000114L289 A292 A293 L296 I419 V442 H445 P446 N450 M451 F453L289-F448 HydrophobicContact CD2-CD1 4.04Å; L289-F448 HydrophobicContact CD2-CE1 4.41Å; L289-F448 HydrophobicContact CG-CD1 4.08Å; L289-F448 HydrophobicContact CG-CE1 4.29Å; A292-F448 HydrophobicContact CB-CE1 4.16Å; A292-F448 HydrophobicContact CB-CZ 3.97Å; A293-F448 HydrophobicContact CB-CD1 4.07Å; A293-F448 HydrophobicContact CB-CE1 3.72Å; L296-F448 HydrophobicContact CD2-CE2 4.29Å; I419-F448 HydrophobicContact CD1-CD2 4.04Å; I419-F448 HydrophobicContact CD1-CE2 3.49Å; I419-F448 VanDerWaalsContact CD1-CE2 3.49Å; I419-F448 HydrophobicContact CD1-CZ 4.27Å; V442-F448 HydrophobicContact CG1-CE2 4.17Å; V442-F448 WeakPolarHBondContact O-CD2 3.28Å; H445-F448 PolarHBondContact O-N 3.22Å; P446-F448 PolarHBondContact O-N 3.23Å; F448-N450 PolarHBondContact O-N 2.97Å; F448-M451 HydrophobicContact CB-CB 4.14Å; F448-M451 HydrophobicContact CD1-CB 4.37Å; F448-M451 WeakPolarHBondContact O-CB 3.5Å; F448-M451 PolarHBondContact O-N 2.97Å; F448-F453 HydrophobicContact CB-CE2 3.87Å; F448-F453 HydrophobicContact CB-CZ 4.07Å; F448-F453 AromaticContact CD1-CZ 3.97Å; F448-F453 HydrophobicContact CD1-CZ 3.97Å; F448-F453 HydrophobicContact CD2-CZ 4.21Å; F448-F453 HydrophobicContact CE1-CZ 4.45Å; F448-F453 HydrophobicContact CG-CE2 4.15Å; F448-F453 AromaticContact CG-CZ 3.83Å; F448-F453 HydrophobicContact CG-CZ 3.83Å
449R95.1Very high95.6Very high158 Ų15848.1 Ų48.160%0.59624%0.244SC*.THydrogen-bonded Turntrans-53.6-30.5-173.865.2-175.3144.1-159.1-9.8115.1E415 P446E415-R449 IonicContact OE1-CZ 2.98Å; E415-R449 VanDerWaalsContact OE1-CZ 3.27Å; E415-R449 IonicContact OE1-NH1 2.72Å; E415-R449 PolarHBondContact OE1-NH1 3.3Å; E415-R449 IonicContact OE1-NH2 2.87Å; E415-R449 PolarHBondContact OE1-NH2 2.9Å; E415-R449 IonicContact OE2-NH2 3.71Å; E415-R449 PolarHBondContact OE2-NH2 2.89Å; P446-R449 VanDerWaalsContact O-CB 3.29Å; P446-R449 WeakPolarHBondContact O-CB 3.48Å; P446-R449 VanDerWaalsContact O-CG 3.23Å; P446-R449 WeakPolarHBondContact O-CG 3.44Å; P446-R449 PolarHBondContact O-N 2.83Å
450N91.8Very high95.5Very high152 Ų15252.1 Ų52.181%0.81326%0.262SS*.THydrogen-bonded Turntrans-98.63.4-179.4-63.3-29.6000113.1F448F448-N450 PolarHBondContact O-N 2.97Å
451M95.5Very high95.4Very high25 Ų2552 Ų5212%0.12326%0.256CS..  trans-92115.3-178.3-178.154.26900110.8L289 F290 A293 F448 F453 L456 L461L289-M451 HydrophobicContact CD2-CE 3.65Å; F290-M451 HydrophobicContact CD2-CE 4.08Å; A293-M451 HydrophobicContact CB-CE 3.9Å; A293-M451 HydrophobicContact CB-CG 3.95Å; A293-M451 HydrophobicContact CB-SD 4.29Å; F448-M451 HydrophobicContact CB-CB 4.14Å; F448-M451 HydrophobicContact CD1-CB 4.37Å; F448-M451 WeakPolarHBondContact O-CB 3.5Å; F448-M451 PolarHBondContact O-N 2.97Å; M451-F453 HydrophobicContact CB-CD2 4.44Å; M451-F453 HydrophobicContact CB-CE2 4.06Å; M451-F453 HydrophobicContact CB-CZ 4.44Å; M451-F453 HydrophobicContact CG-CD1 4.31Å; M451-F453 HydrophobicContact CG-CD2 3.98Å; M451-F453 HydrophobicContact CG-CE1 4.15Å; M451-F453 HydrophobicContact CG-CE2 3.79Å; M451-F453 HydrophobicContact CG-CG 4.24Å; M451-F453 HydrophobicContact CG-CZ 3.88Å; M451-F453 PolarHBondContact O-N 3.29Å; M451-L456 HydrophobicContact SD-CB 4.14Å; M451-L456 HydrophobicContact SD-CD1 4.3Å; M451-L456 HydrophobicContact SD-CD2 3.97Å; M451-L456 HydrophobicContact SD-CG 4.38Å; M451-L461 HydrophobicContact CE-CD1 4.43Å; M451-L461 HydrophobicContact SD-CD1 3.47Å; M451-L461 WeakPolarHBondContact SD-CD1 3.21Å
452N93.3Very high95.4Very high39 Ų3957.7 Ų57.721%0.20929%0.288CS..  trans-87.394.8169.4-170.8-50.8000109.9K454 R455 L456N452-K454 VanDerWaalsContact C-N 3.31Å; N452-K454 PolarHBondContact O-N 3.19Å; N452-K454 PolarHBondContact OD1-N 3.24Å; N452-R455 HydrophobicContact CB-CB 4.15Å; N452-R455 HydrophobicContact CB-CG 4.26Å; N452-R455 PolarHBondContact O-N 3.34Å; N452-R455 VanDerWaalsContact O-N 3.15Å; N452-R455 WeakPolarHBondContact OD1-CG 3.45Å; N452-R455 PolarHBondContact OD1-N 3.09Å; N452-R455 VanDerWaalsContact OD1-N 3.07Å; N452-L456 PolarHBondContact O-N 3.43Å
453F95Very high95.3Very high22 Ų2258.4 Ų58.410%0.09629%0.292CS..Hα-helixtrans-60.3-34-176-78.6-83.4000114.2A293 L296 K443 F448 M451 R455 L456 E457A293-F453 HydrophobicContact CB-CE1 3.77Å; A293-F453 HydrophobicContact CB-CZ 4.1Å; L296-F453 HydrophobicContact CD2-CE1 4.16Å; L296-F453 HydrophobicContact CD2-CZ 4.19Å; K443-F453 HydrophobicContact CB-CD2 3.87Å; K443-F453 HydrophobicContact CB-CE2 3.6Å; K443-F453 HydrophobicContact CB-CG 4.46Å; K443-F453 HydrophobicContact CB-CZ 4Å; K443-F453 HydrophobicContact CD-CB 4.25Å; K443-F453 HydrophobicContact CD-CD1 3.9Å; K443-F453 HydrophobicContact CD-CD2 4.05Å; K443-F453 HydrophobicContact CD-CE1 4.24Å; K443-F453 HydrophobicContact CD-CE2 4.39Å; K443-F453 HydrophobicContact CD-CG 3.79Å; K443-F453 HydrophobicContact CD-CZ 4.48Å; K443-F453 HydrophobicContact CG-CD1 3.94Å; K443-F453 HydrophobicContact CG-CD2 3.87Å; K443-F453 HydrophobicContact CG-CE1 3.77Å; K443-F453 HydrophobicContact CG-CE2 3.7Å; K443-F453 HydrophobicContact CG-CG 3.99Å; K443-F453 HydrophobicContact CG-CZ 3.65Å; K443-F453 WeakPolarHBondContact O-CE2 3.43Å; F448-F453 HydrophobicContact CB-CE2 3.87Å; F448-F453 HydrophobicContact CB-CZ 4.07Å; F448-F453 AromaticContact CD1-CZ 3.97Å; F448-F453 HydrophobicContact CD1-CZ 3.97Å; F448-F453 HydrophobicContact CD2-CZ 4.21Å; F448-F453 HydrophobicContact CE1-CZ 4.45Å; F448-F453 HydrophobicContact CG-CE2 4.15Å; F448-F453 AromaticContact CG-CZ 3.83Å; F448-F453 HydrophobicContact CG-CZ 3.83Å; M451-F453 HydrophobicContact CB-CD2 4.44Å; M451-F453 HydrophobicContact CB-CE2 4.06Å; M451-F453 HydrophobicContact CB-CZ 4.44Å; M451-F453 HydrophobicContact CG-CD1 4.31Å; M451-F453 HydrophobicContact CG-CD2 3.98Å; M451-F453 HydrophobicContact CG-CE1 4.15Å; M451-F453 HydrophobicContact CG-CE2 3.79Å; M451-F453 HydrophobicContact CG-CG 4.24Å; M451-F453 HydrophobicContact CG-CZ 3.88Å; M451-F453 PolarHBondContact O-N 3.29Å; F453-R455 PolarHBondContact O-N 3.38Å; F453-L456 HydrophobicContact CD1-CD2 4.23Å; F453-L456 HydrophobicContact CE1-CD2 4.44Å; F453-L456 WeakPolarHBondContact O-CB 3.23Å; F453-L456 PolarHBondContact O-N 3.07Å; F453-E457 WeakPolarHBondContact O-CB 3.46Å; F453-E457 WeakPolarHBondContact O-CG 3.4Å; F453-E457 PolarHBondContact O-N 3.02Å
454K91.3Very high95.3Very high61 Ų6159.2 Ų59.227%0.26530%0.302SS..Hα-helixtrans-65.7-39.4176.6-69.7-64.1-171.8167.60112.1K139 E140 N452 A458K139-K454 HydrophobicContact CB-CG 4.26Å; K139-K454 HydrophobicContact CG-CG 4.04Å; E140-K454 WeakPolarHBondContact OE1-CE 3.27Å; E140-K454 IonicContact OE1-NZ 3.06Å; E140-K454 PolarHBondContact OE1-NZ 3.08Å; N452-K454 VanDerWaalsContact C-N 3.31Å; N452-K454 PolarHBondContact O-N 3.19Å; N452-K454 PolarHBondContact OD1-N 3.24Å; K454-A458 WeakPolarHBondContact O-CB 3.14Å; K454-A458 PolarHBondContact O-N 2.87Å
455R94Very high95.2Very high72 Ų7254.3 Ų54.327%0.27228%0.284SS..Hα-helixtrans-69.6-36.7173.8-69.317763.2110.31111.9V92 N452 F453 A458 G459 M460 L461V92-R455 HydrophobicContact CB-CG 4.46Å; V92-R455 WeakPolarHBondContact O-CG 3.36Å; N452-R455 HydrophobicContact CB-CB 4.15Å; N452-R455 HydrophobicContact CB-CG 4.26Å; N452-R455 PolarHBondContact O-N 3.34Å; N452-R455 VanDerWaalsContact O-N 3.15Å; N452-R455 WeakPolarHBondContact OD1-CG 3.45Å; N452-R455 PolarHBondContact OD1-N 3.09Å; N452-R455 VanDerWaalsContact OD1-N 3.07Å; F453-R455 PolarHBondContact O-N 3.38Å; R455-A458 PolarHBondContact O-N 3.16Å; R455-G459 PolarHBondContact O-N 3.21Å; R455-M460 HydrophobicContact CB-CB 4.26Å; R455-M460 WeakPolarHBondContact O-CB 3.34Å; R455-M460 PolarHBondContact O-N 3.25Å; R455-L461 HydrophobicContact CB-CD1 4.48Å; R455-L461 HydrophobicContact CB-CD2 3.91Å; R455-L461 HydrophobicContact CB-CG 4.03Å
456L95.9Very high95.1Very high1 Ų158 Ų581%0.00531%0.308CS..Hα-helixtrans-62-50.6173.8-173.269.1000111F245 F290 A293 E294 M451 N452 F453 A458 G459 L461F245-L456 HydrophobicContact CZ-CG 4.31Å; F290-L456 HydrophobicContact CE2-CD1 3.89Å; F290-L456 HydrophobicContact CZ-CD1 3.85Å; A293-L456 HydrophobicContact CB-CD2 3.53Å; E294-L456 HydrophobicContact CG-CD1 3.83Å; E294-L456 HydrophobicContact CG-CD2 4.12Å; E294-L456 HydrophobicContact CG-CG 4.23Å; M451-L456 HydrophobicContact SD-CB 4.14Å; M451-L456 HydrophobicContact SD-CD1 4.3Å; M451-L456 HydrophobicContact SD-CD2 3.97Å; M451-L456 HydrophobicContact SD-CG 4.38Å; N452-L456 PolarHBondContact O-N 3.43Å; F453-L456 HydrophobicContact CD1-CD2 4.23Å; F453-L456 HydrophobicContact CE1-CD2 4.44Å; F453-L456 WeakPolarHBondContact O-CB 3.23Å; F453-L456 PolarHBondContact O-N 3.07Å; L456-A458 PolarHBondContact O-N 3.5Å; L456-G459 PolarHBondContact O-N 3.23Å; L456-L461 HydrophobicContact CB-CD1 3.96Å; L456-L461 HydrophobicContact CD1-CB 4.4Å; L456-L461 HydrophobicContact CD1-CD1 4.15Å
457E94.8Very high94.9Very high49 Ų4955 Ų5523%0.22929%0.288CS..Hα-helixtrans-60.2-29.4177.4-72.9164.9175.100112.7Q244 F245 K443 F453 G459Q244-E457 PolarHBondContact NE2-O 3.15Å; F245-E457 HydrophobicContact CE2-CG 4.15Å; K443-E457 IonicContact NZ-OE1 3.18Å; K443-E457 PolarHBondContact NZ-OE1 3.29Å; F453-E457 WeakPolarHBondContact O-CB 3.46Å; F453-E457 WeakPolarHBondContact O-CG 3.4Å; F453-E457 PolarHBondContact O-N 3.02Å; E457-G459 VanDerWaalsContact C-N 3.33Å
458A92.1Very high94.5Very high41 Ų4158.5 Ų58.534%0.33931%0.307SS..THydrogen-bonded Turntrans-84-0.6173.600000114.2V92 K454 R455 L456 M460V92-A458 HydrophobicContact CG1-CB 3.65Å; K454-A458 WeakPolarHBondContact O-CB 3.14Å; K454-A458 PolarHBondContact O-N 2.87Å; R455-A458 PolarHBondContact O-N 3.16Å; L456-A458 PolarHBondContact O-N 3.5Å; A458-M460 VanDerWaalsContact C-N 3.32Å; A458-M460 HydrophobicContact CB-CE 4.23Å; A458-M460 HydrophobicContact CB-CG 3.91Å; A458-M460 HydrophobicContact CB-SD 4.28Å; A458-M460 PolarHBondContact O-N 3.42Å
459G93.1Very high93.9Very high37 Ų3762.5 Ų62.538%0.38133%0.334SS..THydrogen-bonded Turntrans66.830-178.300000113.8R455 L456 E457R455-G459 PolarHBondContact O-N 3.21Å; L456-G459 PolarHBondContact O-N 3.23Å; E457-G459 VanDerWaalsContact C-N 3.33Å
460M94.1Very high93.6Very high91 Ų9164.5 Ų64.545%0.44834%0.341SS..  trans-101.35.5-175.3-62.4-169.3173.700114.3V92 R455 A458V92-M460 HydrophobicContact CB-CE 4.09Å; V92-M460 HydrophobicContact CB-SD 3.7Å; V92-M460 HydrophobicContact CG1-CE 4.11Å; V92-M460 HydrophobicContact CG1-SD 4.05Å; V92-M460 HydrophobicContact CG2-CE 3.76Å; V92-M460 HydrophobicContact CG2-SD 3.87Å; R455-M460 HydrophobicContact CB-CB 4.26Å; R455-M460 WeakPolarHBondContact O-CB 3.34Å; R455-M460 PolarHBondContact O-N 3.25Å; A458-M460 VanDerWaalsContact C-N 3.32Å; A458-M460 HydrophobicContact CB-CE 4.23Å; A458-M460 HydrophobicContact CB-CG 3.91Å; A458-M460 HydrophobicContact CB-SD 4.28Å; A458-M460 PolarHBondContact O-N 3.42Å
461L94.9Very high93.4Very high38 Ų3858.5 Ų58.520%0.19931%0.313CS..SBendtrans-110.4123.2177-58.6-174.9000108.8F290 H324 M451 R455 L456F290-L461 HydrophobicContact CE2-CB 3.94Å; H324-L461 PolarHBondContact CE1-O 2.87Å; H324-L461 VanDerWaalsContact CE1-O 3.31Å; M451-L461 HydrophobicContact CE-CD1 4.43Å; M451-L461 HydrophobicContact SD-CD1 3.47Å; M451-L461 WeakPolarHBondContact SD-CD1 3.21Å; R455-L461 HydrophobicContact CB-CD1 4.48Å; R455-L461 HydrophobicContact CB-CD2 3.91Å; R455-L461 HydrophobicContact CB-CG 4.03Å; L456-L461 HydrophobicContact CB-CD1 3.96Å; L456-L461 HydrophobicContact CD1-CB 4.4Å; L456-L461 HydrophobicContact CD1-CD1 4.15Å
462D95.6Very high93Very high153 Ų15359 Ų5982%0.81832%0.317SS*.  trans-68.7129.8177.6-64.8-46.5000110
463P96.9Very high92.6Very high14 Ų1458.7 Ų58.79%0.09131%0.313CS..  trans-62.8143.1174.9-26.236.8000112F290 Y322 H324 F465F290-P463 HydrophobicContact CD1-CB 4.42Å; F290-P463 HydrophobicContact CE1-CB 3.81Å; F290-P463 HydrophobicContact CE1-CG 3.87Å; F290-P463 HydrophobicContact CZ-CB 4.07Å; F290-P463 HydrophobicContact CZ-CG 3.89Å; Y322-P463 WeakPolarHBondContact O-CG 3.34Å; H324-P463 VanDerWaalsContact CE1-CG 3.48Å; H324-P463 WeakPolarHBondContact CE1-CG 3.25Å; P463-F465 PolarHBondContact O-N 2.96Å; P463-F465 VanDerWaalsContact O-N 3.09Å
464P96.5Very high91.9Very high56 Ų5659.3 Ų59.336%0.36432%0.32SS..SBendtrans-70.1-6.8178.627.5-33.8000113.3E286 R287 F290E286-P464 HydrophobicContact CG-CB 4.39Å; R287-P464 HydrophobicContact CB-CG 4.06Å; R287-P464 HydrophobicContact CG-CG 4.26Å; F290-P464 HydrophobicContact CB-CG 3.87Å; F290-P464 VanDerWaalsContact CG-CD 3.46Å; F290-P464 HydrophobicContact CG-CG 4.15Å
465F95.9Very high91.5Very high42 Ų4263.5 Ų63.518%0.18434%0.338CS..  trans-142.8127.6176.2170.7-90.6000110.3H274 M278 L319 G323 P463 P467H274-F465 AromaticContact CE1-CE1 3.38Å; H274-F465 WeakPolarHBondContact CE1-CE1 3.34Å; H274-F465 AromaticContact CE1-CZ 3.8Å; H274-F465 AromaticContact ND1-CE1 3.64Å; H274-F465 AromaticContact ND1-CZ 3.97Å; M278-F465 HydrophobicContact CE-CE2 3.66Å; M278-F465 HydrophobicContact CE-CZ 3.63Å; M278-F465 HydrophobicContact SD-CE2 4.44Å; M278-F465 HydrophobicContact SD-CZ 4Å; L319-F465 HydrophobicContact CD2-CD1 4.09Å; L319-F465 HydrophobicContact CD2-CE1 4.18Å; G323-F465 WeakPolarHBondContact CA-O 3.15Å; P463-F465 PolarHBondContact O-N 2.96Å; P463-F465 VanDerWaalsContact O-N 3.09Å; F465-P467 HydrophobicContact CD1-CG 4.49Å; F465-P467 HydrophobicContact CE1-CB 4.29Å; F465-P467 HydrophobicContact CE1-CG 3.87Å
466V95.4Very high91Very high91 Ų9163.8 Ų63.855%0.55235%0.345SS*.  trans-113.2123.7175.6-175.70000109
467P93.6Very high90.3Very high3 Ų365.9 Ų65.92%0.01936%0.358CS..  trans-61.2148.9175.2-21.531.9000112.7L319 D320 F465 P469 Y473L319-P467 HydrophobicContact CB-CG 4.46Å; L319-P467 HydrophobicContact CD2-CG 4.3Å; D320-P467 WeakPolarHBondContact O-CG 3.3Å; F465-P467 HydrophobicContact CD1-CG 4.49Å; F465-P467 HydrophobicContact CE1-CB 4.29Å; F465-P467 HydrophobicContact CE1-CG 3.87Å; P467-P469 WeakPolarHBondContact O-CD 3.31Å; P467-Y473 HydrophobicContact CB-CD2 4.23Å; P467-Y473 HydrophobicContact CB-CE2 3.54Å
468D91.7Very high89.6Confident79 Ų7967.6 Ų67.642%0.42237%0.368SS..  trans-68.2119.6174-179.8-7.8000109.8R470 A471 Y473D468-R470 PolarHBondContact O-N 3.33Å; D468-R470 VanDerWaalsContact O-N 3.12Å; D468-R470 WeakPolarHBondContact OD1-CB 3.46Å; D468-R470 PolarHBondContact OD1-N 2.68Å; D468-A471 HydrophobicContact CB-CB 3.91Å; D468-A471 WeakPolarHBondContact O-CB 3.25Å; D468-A471 PolarHBondContact O-N 3.05Å; D468-Y473 PolarHBondContact N-OH 3.3Å
469P86.3Confident89.1Confident89 Ų8970.8 Ų70.858%0.57838%0.379SS*.THydrogen-bonded Turntrans-63.4-19.1-179.825.8-35.3000113.5L13 R16 P467L13-P469 WeakPolarHBondContact CD2-O 3.48Å; R16-P469 PolarHBondContact NH1-O 3.49Å; R16-P469 PolarHBondContact NH2-O 2.94Å; P467-P469 WeakPolarHBondContact O-CD 3.31Å
470R87.4Confident88.5Confident199 Ų19970 Ų7075%0.75137%0.366SS*.THydrogen-bonded Turntrans-88.7-12.7177.2-60.3178.1177.7171.52112.9L13 D468L13-R470 WeakPolarHBondContact CD1-O 3.45Å; D468-R470 PolarHBondContact O-N 3.33Å; D468-R470 VanDerWaalsContact O-N 3.12Å; D468-R470 WeakPolarHBondContact OD1-CB 3.46Å; D468-R470 PolarHBondContact OD1-N 2.68Å
471A87.4Confident87.8Confident27 Ų2772.5 Ų72.522%0.22338%0.377CS..  trans-85.9153176.500000111.4R16 D468 Y473R16-A471 PolarHBondContact NH1-O 2.92Å; D468-A471 HydrophobicContact CB-CB 3.91Å; D468-A471 WeakPolarHBondContact O-CB 3.25Å; D468-A471 PolarHBondContact O-N 3.05Å; A471-Y473 HydrophobicContact CB-CD2 4.17Å; A471-Y473 HydrophobicContact CB-CE1 4.47Å; A471-Y473 HydrophobicContact CB-CE2 3.57Å
472V87.1Confident86.9Confident35 Ų3579.1 Ų79.121%0.21241%0.407CS..  trans-116.6104.5170.9179.80000107.1N9 L13 C474N9-V472 HydrophobicContact CB-CG2 4.4Å; L13-V472 HydrophobicContact CD2-CG2 4.06Å; L13-V472 HydrophobicContact CG-CG2 4.23Å; V472-C474 WeakPolarHBondContact CG1-SG 3.22Å; V472-C474 PolarHBondContact O-N 3.26Å
473Y85.3Confident85.9Confident33 Ų3374.3 Ų74.313%0.12938%0.379CS..  trans-83.652.8-175.2-65.8-86.6000112.2G268 G269 F273 M278 P467 D468 A471G268-Y473 VanDerWaalsContact O-CB 3.32Å; G268-Y473 WeakPolarHBondContact O-CB 3.42Å; G269-Y473 WeakPolarHBondContact CA-O 3.44Å; F273-Y473 HydrophobicContact CD1-CD1 4.11Å; F273-Y473 AromaticContact CE1-CD1 3.72Å; F273-Y473 HydrophobicContact CE1-CD1 3.72Å; F273-Y473 HydrophobicContact CE1-CE1 4.31Å; M278-Y473 HydrophobicContact SD-CE1 4.49Å; P467-Y473 HydrophobicContact CB-CD2 4.23Å; P467-Y473 HydrophobicContact CB-CE2 3.54Å; D468-Y473 PolarHBondContact N-OH 3.3Å; A471-Y473 HydrophobicContact CB-CD2 4.17Å; A471-Y473 HydrophobicContact CB-CE1 4.47Å; A471-Y473 HydrophobicContact CB-CE2 3.57Å
474C81.6Confident85.1Confident35 Ų3578.2 Ų78.224%0.23641%0.406CS..SBendtrans-147163.417267.60000111.3R190 L192 V472R190-C474 PolarHBondContact NH2-SG 3Å; L192-C474 WeakPolarHBondContact O-CB 3.45Å; V472-C474 WeakPolarHBondContact CG1-SG 3.22Å; V472-C474 PolarHBondContact O-N 3.26Å
475K82.6Confident84.5Confident149 Ų14981.3 Ų81.365%0.64842%0.424SS*.  trans-58.4154.7179.1-65.4-176.2178.9-177.70111.4R190 D479 I480R190-K475 PolarHBondContact NH2-O 3.08Å; K475-D479 HydrophobicContact CB-CB 4.29Å; K475-I480 HydrophobicContact CB-CG1 4.14Å
476D83.4Confident84.1Confident77 Ų7780 Ų8041%0.41242%0.42SS..  trans-58.6145.6171.7-75.7-15.6000110.9N5 L478 D479 I480N5-D476 PolarHBondContact ND2-OD1 2.88Å; D476-L478 PolarHBondContact O-N 3.31Å; D476-D479 HydrophobicContact CB-CB 4.45Å; D476-D479 WeakPolarHBondContact O-CB 3.37Å; D476-D479 PolarHBondContact O-N 2.99Å; D476-I480 PolarHBondContact O-N 3.24Å
477V80.9Confident83.7Confident46 Ų4684.2 Ų84.228%0.27943%0.431SS..THydrogen-bonded Turntrans-54.4-32.8-173.8175.90000112.2N5 A8 R190N5-V477 PolarHBondContact OD1-N 3.47Å; A8-V477 HydrophobicContact CB-CG2 4.39Å; R190-V477 HydrophobicContact CB-CG2 4.34Å
478L79.6Confident83.5Confident84 Ų8488.1 Ų88.144%0.4447%0.471SS..THydrogen-bonded Turntrans-79.8-24.6-179.8-60174.5000113.3M1 D476 I480M1-L478 HydrophobicContact CB-CD1 4.46Å; M1-L478 HydrophobicContact CG-CD1 3.26Å; M1-L478 HydrophobicContact SD-CD1 4.26Å; D476-L478 PolarHBondContact O-N 3.31Å; L478-I480 VanDerWaalsContact C-N 3.27Å
479D82.6Confident83.5Confident108 Ų10885.5 Ų85.558%0.57846%0.458SS*.THydrogen-bonded Turntrans-81.8-10.3175.7-67.5-21.9000112.3K475 D476 E481K475-D479 HydrophobicContact CB-CB 4.29Å; D476-D479 HydrophobicContact CB-CB 4.45Å; D476-D479 WeakPolarHBondContact O-CB 3.37Å; D476-D479 PolarHBondContact O-N 2.99Å; D479-E481 PolarHBondContact O-N 2.83Å; D479-E481 VanDerWaalsContact O-N 3.16Å
480I80.1Confident83.7Confident20 Ų2087.8 Ų87.810%0.10347%0.465CS..SBendtrans-77.9100170.7-57.9175.7000107.4V191 K194 K475 D476 L478 Q482V191-I480 HydrophobicContact CB-CD1 4.2Å; V191-I480 HydrophobicContact CG1-CD1 3.82Å; V191-I480 HydrophobicContact CG1-CG2 4.2Å; K194-I480 HydrophobicContact CB-CG2 3.98Å; K475-I480 HydrophobicContact CB-CG1 4.14Å; D476-I480 PolarHBondContact O-N 3.24Å; L478-I480 VanDerWaalsContact C-N 3.27Å; I480-Q482 PolarHBondContact O-N 3.46Å
481E78.4Confident83.9Confident145 Ų14581.4 Ų81.468%0.67845%0.446SS*.PPolyproline II helixtrans-46.4123.4-179.1-70.4-179.6179.200112.5K194 D479K194-E481 HydrophobicContact CD-CB 4.28Å; K194-E481 WeakPolarHBondContact CD-O 3.5Å; K194-E481 WeakPolarHBondContact CE-O 3.29Å; K194-E481 PolarHBondContact NZ-O 3.33Å; K194-E481 IonicContact NZ-OE2 2.68Å; K194-E481 PolarHBondContact NZ-OE2 3.39Å; D479-E481 PolarHBondContact O-N 2.83Å; D479-E481 VanDerWaalsContact O-N 3.16Å
482Q76.7Confident84Confident176 Ų17683.4 Ų83.482%0.82245%0.453SS*.PPolyproline II helixtrans-72.1148.3175.1-66.1-176.30.100111.5I480I480-Q482 PolarHBondContact O-N 3.46Å
483F74.5Confident83.9Confident53 Ų5388.6 Ų88.623%0.23247%0.474CS..PPolyproline II helixtrans-78.5140.5172.2-85.3-61.9000111.4K194 G195 G198 R221K194-F483 HydrophobicContact CD-CE2 3.99Å; K194-F483 HydrophobicContact CD-CZ 4.04Å; K194-F483 HydrophobicContact CG-CD2 4.35Å; K194-F483 HydrophobicContact CG-CE2 3.52Å; K194-F483 HydrophobicContact CG-CZ 3.79Å; G195-F483 VanDerWaalsContact O-CZ 3.23Å; G195-F483 WeakPolarHBondContact O-CZ 3.04Å; G198-F483 WeakPolarHBondContact O-CE2 3.46Å; R221-F483 VanDerWaalsContact NH2-CB 3.34Å
484S80.8Confident83.9Confident95 Ų9591 Ų9166%0.66449%0.493SS*.PPolyproline II helixtrans-65.9136.1165.653.70000110.4R221 V486R221-S484 PolarHBondContact NH2-O 2.94Å; S484-V486 PolarHBondContact O-N 3.38Å
485T83.6Confident84.3Confident122 Ų12289.9 Ų89.975%0.74848%0.484SS*.PPolyproline II helixtrans-60.4128.9178.3-48.90000110.6K487T485-K487 PolarHBondContact O-N 3.39Å
486V86.5Confident84.6Confident14 Ų1487.2 Ų87.29%0.08548%0.477CS..  trans-76.3107.2176.7-176.50000109.7K220 R221 K224 S484 V489K220-V486 HydrophobicContact CB-CB 4.01Å; K220-V486 HydrophobicContact CB-CG1 4.04Å; R221-V486 HydrophobicContact CB-CG2 4.26Å; K224-V486 HydrophobicContact CB-CG1 4.31Å; K224-V486 HydrophobicContact CD-CG1 3.81Å; S484-V486 PolarHBondContact O-N 3.38Å; V486-V489 HydrophobicContact CG1-CB 4.05Å; V486-V489 HydrophobicContact CG1-CG2 3.56Å
487K87.9Confident84.9Confident180 Ų18088.6 Ų88.678%0.78349%0.485SS*.  trans-94.8155.5172.6-63-175-179.6-178.40111T485 V489T485-K487 PolarHBondContact O-N 3.39Å; K487-V489 VanDerWaalsContact C-N 3.33Å; K487-V489 PolarHBondContact O-N 3.41Å
488G89.4Confident85.5Confident85 Ų8587.4 Ų87.488%0.87648%0.476SS*.SBendtrans7514.6173.400000115.6
489V91.4Very high86.2Confident23 Ų2383.6 Ų83.614%0.13946%0.456CS..  trans-116.1119176.5179.70000108.9K220 K223 K224 V486 K487K220-V489 HydrophobicContact CB-CB 4.42Å; K220-V489 HydrophobicContact CB-CG1 4.29Å; K220-V489 HydrophobicContact CG-CG1 4.44Å; K223-V489 HydrophobicContact CB-CG1 4.09Å; K223-V489 HydrophobicContact CD-CG1 3.91Å; K223-V489 HydrophobicContact CG-CG1 4.09Å; K224-V489 HydrophobicContact CB-CG2 4.18Å; V486-V489 HydrophobicContact CG1-CB 4.05Å; V486-V489 HydrophobicContact CG1-CG2 3.56Å; K487-V489 VanDerWaalsContact C-N 3.33Å; K487-V489 PolarHBondContact O-N 3.41Å
490N91.1Very high86.7Confident137 Ų13782.2 Ų82.273%0.73345%0.454SS*.  trans-103.8137.3173.5-65.6-29.5000109.2K223K223-N490 WeakPolarHBondContact CE-O 3.37Å; K223-N490 PolarHBondContact NZ-O 3.26Å
491L91.6Very high87.3Confident66 Ų6687.8 Ų87.835%0.34648%0.478SS..  trans-86.1137.9170.7-54-177.9000107.8K219 K220 K223 D495 Y499K219-L491 HydrophobicContact CB-CD1 3.86Å; K219-L491 HydrophobicContact CB-CD2 4.38Å; K219-L491 HydrophobicContact CD-CD1 4.01Å; K220-L491 HydrophobicContact CG-CD2 4.35Å; K223-L491 HydrophobicContact CD-CD2 4.01Å; L491-D495 VanDerWaalsContact CA-OD2 3.23Å; L491-D495 WeakPolarHBondContact CA-OD2 3.4Å; L491-Y499 HydrophobicContact CD1-CE2 4.47Å; L491-Y499 WeakPolarHBondContact CD2-OH 3.49Å
492D88.5Confident88.2Confident68 Ų6880.9 Ų80.936%0.36445%0.445SS..  trans-132175.4-17963.258.5000110.4K223 T494 D495K223-D492 IonicContact NZ-OD1 2.78Å; K223-D492 IonicContact NZ-OD2 3.53Å; K223-D492 PolarHBondContact NZ-OD2 3.05Å; D492-T494 PolarHBondContact O-N 3.27Å; D492-T494 VanDerWaalsContact O-N 3.12Å; D492-T494 WeakPolarHBondContact OD1-CB 3.17Å; D492-T494 PolarHBondContact OD1-N 3.17Å; D492-T494 PolarHBondContact OD1-OG1 2.91Å; D492-D495 PolarHBondContact N-OD2 2.75Å; D492-D495 VanDerWaalsContact O-CB 3.32Å; D492-D495 WeakPolarHBondContact O-CB 3.46Å; D492-D495 PolarHBondContact O-N 3.18Å
493H86.6Confident89.1Confident144 Ų14474.1 Ų74.167%0.66742%0.417SS*.Hα-helixtrans-60-23.4-174.267.6-80.3000114.3D495 D496H493-D495 PolarHBondContact O-N 2.93Å; H493-D496 PolarHBondContact O-N 2.93Å
494T83.6Confident90.1Very high85 Ų8574.8 Ų74.852%0.52143%0.426SS..Hα-helixtrans-70.6-21.9177.568.90000111.9D492D492-T494 PolarHBondContact O-N 3.27Å; D492-T494 VanDerWaalsContact O-N 3.12Å; D492-T494 WeakPolarHBondContact OD1-CB 3.17Å; D492-T494 PolarHBondContact OD1-N 3.17Å; D492-T494 PolarHBondContact OD1-OG1 2.91Å
495D90.6Very high91Very high10 Ų1070.8 Ų70.85%0.05340%0.4CS..Hα-helixtrans-76.1-26.9175-55.6-63.9000112.3K223 L491 D492 H493 D497 F498 Y499K223-D495 WeakPolarHBondContact CD-OD1 3.12Å; K223-D495 WeakPolarHBondContact CE-OD1 3.36Å; K223-D495 IonicContact NZ-OD1 2.7Å; K223-D495 PolarHBondContact NZ-OD1 3.26Å; K223-D495 IonicContact NZ-OD2 3.78Å; K223-D495 PolarHBondContact NZ-OD2 2.89Å; L491-D495 VanDerWaalsContact CA-OD2 3.23Å; L491-D495 WeakPolarHBondContact CA-OD2 3.4Å; D492-D495 PolarHBondContact N-OD2 2.75Å; D492-D495 VanDerWaalsContact O-CB 3.32Å; D492-D495 WeakPolarHBondContact O-CB 3.46Å; D492-D495 PolarHBondContact O-N 3.18Å; H493-D495 PolarHBondContact O-N 2.93Å; D495-D497 PolarHBondContact O-N 3.09Å; D495-F498 WeakPolarHBondContact O-CB 3.33Å; D495-F498 PolarHBondContact O-N 3.35Å; D495-F498 VanDerWaalsContact O-N 3.14Å; D495-Y499 HydrophobicContact CB-CD2 4.29Å; D495-Y499 HydrophobicContact CB-CE1 4.3Å; D495-Y499 HydrophobicContact CB-CE2 3.54Å; D495-Y499 WeakPolarHBondContact CB-OH 3.35Å; D495-Y499 WeakPolarHBondContact O-CD1 3.43Å; D495-Y499 VanDerWaalsContact O-CD2 3.3Å; D495-Y499 WeakPolarHBondContact O-CD2 3.4Å; D495-Y499 PolarHBondContact O-N 3.14Å
496D89.8Confident91.6Very high93 Ų9366 Ų6650%0.49737%0.372SS..Hα-helixtrans-68.3-33.8-174.8-68.5-25.6000112.3H493 F498 Y499 S500H493-D496 PolarHBondContact O-N 2.93Å; D496-F498 VanDerWaalsContact C-N 3.29Å; D496-F498 PolarHBondContact O-N 3.16Å; D496-Y499 PolarHBondContact O-N 3.25Å; D496-S500 WeakPolarHBondContact O-CB 3.39Å; D496-S500 PolarHBondContact O-N 3.29Å; D496-S500 PolarHBondContact O-OG 3.11Å
497D89.9Confident92.2Very high106 Ų10665.9 Ų65.957%0.56737%0.371SS*.Hα-helixtrans-62.2-37.8172.4-80-3.9000111.8D495 S500 K501D495-D497 PolarHBondContact O-N 3.09Å; D497-S500 PolarHBondContact O-OG 3.35Å; D497-K501 WeakPolarHBondContact O-CD 3.45Å; D497-K501 VanDerWaalsContact O-CG 3.22Å; D497-K501 WeakPolarHBondContact O-CG 3.19Å; D497-K501 PolarHBondContact O-N 3.26Å
498F92.7Very high92.6Very high21 Ų2158.6 Ų58.69%0.09234%0.343CS..Hα-helixtrans-70.5-43.4175.2160.7-115.4000111I222 E228 A231 L232 L259 D495 D496 S500 K501 F502I222-F498 HydrophobicContact CG2-CE1 4.14Å; I222-F498 HydrophobicContact CG2-CZ 4.39Å; E228-F498 HydrophobicContact CB-CD1 4.26Å; E228-F498 HydrophobicContact CB-CD2 3.99Å; E228-F498 HydrophobicContact CB-CE1 4.18Å; E228-F498 HydrophobicContact CB-CE2 3.91Å; E228-F498 HydrophobicContact CB-CG 4.17Å; E228-F498 HydrophobicContact CB-CZ 4.02Å; E228-F498 HydrophobicContact CG-CD1 3.97Å; E228-F498 HydrophobicContact CG-CE1 4.01Å; E228-F498 HydrophobicContact CG-CG 4.25Å; E228-F498 HydrophobicContact CG-CZ 4.35Å; E228-F498 VanDerWaalsContact O-CE2 3.25Å; E228-F498 WeakPolarHBondContact O-CE2 3.4Å; A231-F498 HydrophobicContact CB-CZ 4.18Å; L232-F498 HydrophobicContact CB-CE2 4.1Å; L259-F498 HydrophobicContact CD1-CD1 4.48Å; L259-F498 HydrophobicContact CD1-CE1 3.5Å; L259-F498 VanDerWaalsContact CD1-CE1 3.5Å; L259-F498 HydrophobicContact CD1-CZ 3.53Å; D495-F498 WeakPolarHBondContact O-CB 3.33Å; D495-F498 PolarHBondContact O-N 3.35Å; D495-F498 VanDerWaalsContact O-N 3.14Å; D496-F498 VanDerWaalsContact C-N 3.29Å; D496-F498 PolarHBondContact O-N 3.16Å; F498-S500 PolarHBondContact O-N 3.04Å; F498-K501 PolarHBondContact O-N 3.01Å; F498-F502 WeakPolarHBondContact O-CB 3.38Å; F498-F502 PolarHBondContact O-N 2.93Å
499Y93.8Very high93Very high5 Ų556.4 Ų56.42%0.0231%0.311CS..Hα-helixtrans-65.3-38.6-179.5-58.8-25.9000113.3K219 E254 L259 L491 D495 D496 F502 S503K219-Y499 HydrophobicContact CB-CE1 4.44Å; K219-Y499 HydrophobicContact CD-CD1 4.47Å; K219-Y499 HydrophobicContact CD-CD2 4.28Å; K219-Y499 HydrophobicContact CD-CE1 3.97Å; K219-Y499 HydrophobicContact CD-CE2 3.73Å; K219-Y499 HydrophobicContact CG-CE1 3.86Å; K219-Y499 HydrophobicContact CG-CE2 4.46Å; K219-Y499 VanDerWaalsContact NZ-CD2 3.27Å; E254-Y499 WeakPolarHBondContact OE2-CB 3.29Å; L259-Y499 HydrophobicContact CD1-CD1 4.08Å; L259-Y499 HydrophobicContact CD1-CE1 4.4Å; L259-Y499 HydrophobicContact CD2-CD1 3.8Å; L259-Y499 HydrophobicContact CD2-CG 4.31Å; L259-Y499 HydrophobicContact CG-CD1 4.27Å; L491-Y499 HydrophobicContact CD1-CE2 4.47Å; L491-Y499 WeakPolarHBondContact CD2-OH 3.49Å; D495-Y499 HydrophobicContact CB-CD2 4.29Å; D495-Y499 HydrophobicContact CB-CE1 4.3Å; D495-Y499 HydrophobicContact CB-CE2 3.54Å; D495-Y499 WeakPolarHBondContact CB-OH 3.35Å; D495-Y499 WeakPolarHBondContact O-CD1 3.43Å; D495-Y499 VanDerWaalsContact O-CD2 3.3Å; D495-Y499 WeakPolarHBondContact O-CD2 3.4Å; D495-Y499 PolarHBondContact O-N 3.14Å; D496-Y499 PolarHBondContact O-N 3.25Å; Y499-F502 PolarHBondContact O-N 3.43Å; Y499-S503 WeakPolarHBondContact O-CB 3.15Å; Y499-S503 PolarHBondContact O-N 3.18Å; Y499-S503 PolarHBondContact O-OG 3.3Å
500S92.4Very high93.3Very high78 Ų7856.1 Ų56.155%0.54531%0.309SS..Hα-helixtrans-66.5-41.6175.959.10000112.1D496 D497 F498 F502 S503D496-S500 WeakPolarHBondContact O-CB 3.39Å; D496-S500 PolarHBondContact O-N 3.29Å; D496-S500 PolarHBondContact O-OG 3.11Å; D497-S500 PolarHBondContact O-OG 3.35Å; F498-S500 PolarHBondContact O-N 3.04Å; S500-F502 VanDerWaalsContact C-N 3.27Å; S500-F502 PolarHBondContact O-N 2.84Å; S500-S503 PolarHBondContact O-N 2.88Å
501K94.1Very high93.7Very high137 Ų13750.1 Ų50.160%0.59628%0.276SS*.Hα-helixtrans-63.2-32.9173.5-72.3170.6-170.9172.80112.9L232 D497 F498L232-K501 HydrophobicContact CD1-CB 4.38Å; D497-K501 WeakPolarHBondContact O-CD 3.45Å; D497-K501 VanDerWaalsContact O-CG 3.22Å; D497-K501 WeakPolarHBondContact O-CG 3.19Å; D497-K501 PolarHBondContact O-N 3.26Å; F498-K501 PolarHBondContact O-N 3.01Å
502F96.3Very high94Very high0 Ų047.1 Ų47.10%026%0.26CS..Hα-helixtrans-75.1-41.6179.2-173.4-82.3000112.5L217 A231 K235 A252 L259 L261 F498 Y499 S500 T504L217-F502 HydrophobicContact CD1-CE2 4.34Å; L217-F502 HydrophobicContact CD1-CZ 4.22Å; A231-F502 HydrophobicContact CB-CE2 4.44Å; K235-F502 HydrophobicContact CB-CD2 4.19Å; K235-F502 HydrophobicContact CB-CE2 3.87Å; K235-F502 HydrophobicContact CB-CZ 4.45Å; K235-F502 HydrophobicContact CG-CD2 4.36Å; K235-F502 HydrophobicContact CG-CE2 4.22Å; K235-F502 HydrophobicContact CG-CZ 4.47Å; A252-F502 HydrophobicContact CB-CE1 4.35Å; A252-F502 WeakPolarHBondContact CB-O 3.36Å; L259-F502 HydrophobicContact CB-CD1 3.96Å; L259-F502 HydrophobicContact CB-CE1 3.62Å; L259-F502 HydrophobicContact CB-CE2 4.45Å; L259-F502 HydrophobicContact CB-CZ 3.86Å; L259-F502 HydrophobicContact CD1-CB 4.32Å; L259-F502 HydrophobicContact CD1-CD1 4.1Å; L259-F502 HydrophobicContact CD1-CD2 3.93Å; L259-F502 HydrophobicContact CD1-CE1 4.4Å; L259-F502 HydrophobicContact CD1-CE2 4.2Å; L259-F502 HydrophobicContact CD1-CG 3.85Å; L259-F502 HydrophobicContact CD1-CZ 4.4Å; L259-F502 HydrophobicContact CD2-CD1 3.99Å; L259-F502 HydrophobicContact CD2-CE1 4.5Å; L259-F502 HydrophobicContact CD2-CG 4.35Å; L259-F502 HydrophobicContact CG-CD1 4.24Å; L259-F502 HydrophobicContact CG-CE1 4.39Å; L259-F502 HydrophobicContact CG-CG 4.47Å; L261-F502 HydrophobicContact CD1-CZ 4.39Å; L261-F502 HydrophobicContact CD2-CE1 3.9Å; L261-F502 HydrophobicContact CD2-CE2 4.11Å; L261-F502 HydrophobicContact CD2-CZ 3.36Å; L261-F502 HydrophobicContact CG-CE1 4.46Å; L261-F502 HydrophobicContact CG-CZ 3.72Å; F498-F502 WeakPolarHBondContact O-CB 3.38Å; F498-F502 PolarHBondContact O-N 2.93Å; Y499-F502 PolarHBondContact O-N 3.43Å; S500-F502 VanDerWaalsContact C-N 3.27Å; S500-F502 PolarHBondContact O-N 2.84Å; F502-T504 PolarHBondContact O-N 2.98Å
503S95.9Very high94.5Very high34 Ų3446.4 Ų46.424%0.23826%0.256CS..  trans-86.367.1-166.8-56.40000112.8A252 E254 Y499 S500 G505A252-S503 CarbonylContact O-C 3.5Å; E254-S503 WeakPolarHBondContact CB-OG 3.44Å; E254-S503 PolarHBondContact N-OG 3.24Å; Y499-S503 WeakPolarHBondContact O-CB 3.15Å; Y499-S503 PolarHBondContact O-N 3.18Å; Y499-S503 PolarHBondContact O-OG 3.3Å; S500-S503 PolarHBondContact O-N 2.88Å; S503-G505 VanDerWaalsContact C-N 3.28Å; S503-G505 PolarHBondContact O-N 3.45Å
504T96.8Very high95Very high67 Ų6739.5 Ų39.541%0.41123%0.225SC..  trans-78.7-4.7-176.957.10000115.1K235 E239 A252 F502K235-T504 VanDerWaalsContact CE-OG1 3.24Å; K235-T504 WeakPolarHBondContact CE-OG1 3.42Å; K235-T504 PolarHBondContact NZ-OG1 3.4Å; E239-T504 PolarHBondContact OE1-OG1 3.05Å; E239-T504 VanDerWaalsContact OE1-OG1 3.05Å; A252-T504 PolarHBondContact O-N 3.32Å; F502-T504 PolarHBondContact O-N 2.98Å
505G97.7Very high95.8Very high12 Ų1235.6 Ų35.612%0.12420%0.2CC..EExtended strand (participates in β ladder)trans79.8-137-176.600000111.7Y251 A252 S503Y251-G505 CarbonylContact C-O 3.53Å; Y251-G505 VanDerWaalsContact CA-O 3.29Å; Y251-G505 WeakPolarHBondContact CA-O 3.48Å; A252-G505 PolarHBondContact N-O 2.92Å; A252-G505 WeakPolarHBondContact O-CA 3.49Å; A252-G505 PolarHBondContact O-N 3.22Å; S503-G505 VanDerWaalsContact C-N 3.28Å; S503-G505 PolarHBondContact O-N 3.45Å
506S98.1Very high96.1Very high21 Ų2137.5 Ų37.515%0.14721%0.21CC..EExtended strand (participates in β ladder)trans-74.1140.5-178.9-43.90000111.8E177E177-S506 WeakPolarHBondContact O-CB 3.39Å; E177-S506 PolarHBondContact O-OG 3.25Å
507V98.2Very high96.4Very high12 Ų1238.6 Ų38.67%0.07321%0.212CC..  trans-91.9129.1169.8-177.20000108.8E239 L249 A250 P510 W511E239-V507 HydrophobicContact CG-CG1 4.11Å; E239-V507 HydrophobicContact CG-CG2 4.2Å; L249-V507 HydrophobicContact CB-CG2 4.48Å; L249-V507 HydrophobicContact CD2-CG2 3.95Å; L249-V507 HydrophobicContact CG-CG2 3.83Å; L249-V507 WeakPolarHBondContact O-CB 3.36Å; L249-V507 WeakPolarHBondContact O-CG2 3.32Å; A250-V507 PolarHBondContact O-N 3.45Å; V507-P510 HydrophobicContact CG1-CG 4.31Å; V507-P510 WeakPolarHBondContact O-CD 3.4Å; V507-W511 WeakPolarHBondContact O-CB 3.4Å; V507-W511 PolarHBondContact O-N 2.53Å
508S97.2Very high96.7Very high27 Ų2734.7 Ų34.719%0.18919%0.192CC..Hα-helixtrans-59.7-57-161.7-170.70000114.5Q60 K174 E177 W511 Q512Q60-S508 PolarHBondContact OE1-OG 3.26Å; K174-S508 PolarHBondContact NZ-OG 3.1Å; E177-S508 VanDerWaalsContact CD-OG 3.28Å; E177-S508 PolarHBondContact OE1-OG 3.49Å; E177-S508 VanDerWaalsContact OE2-CA 3.27Å; E177-S508 WeakPolarHBondContact OE2-CA 3.28Å; E177-S508 WeakPolarHBondContact OE2-CB 3.4Å; E177-S508 PolarHBondContact OE2-OG 2.92Å; S508-W511 PolarHBondContact O-N 3.25Å; S508-Q512 WeakPolarHBondContact O-CB 3.46Å; S508-Q512 VanDerWaalsContact O-CG 3.27Å; S508-Q512 WeakPolarHBondContact O-CG 3.26Å; S508-Q512 PolarHBondContact O-N 3.22Å; S508-Q512 PolarHBondContact OG-NE2 2.97Å; S508-Q512 VanDerWaalsContact OG-NE2 3.1Å
509I97.6Very high96.9Very high39 Ų3937.4 Ų37.420%0.221%0.205CC..Hα-helixtrans-62.9-51-175.2-63.4173.3000111.6K59 P61 W511 Q512 N513K59-I509 HydrophobicContact CB-CD1 4.48Å; P61-I509 HydrophobicContact CG-CG2 4.03Å; I509-W511 VanDerWaalsContact C-N 3.33Å; I509-W511 PolarHBondContact O-N 3.34Å; I509-Q512 PolarHBondContact O-N 2.94Å; I509-N513 PolarHBondContact O-N 2.99Å
510P98Very high97.1Very high16 Ų1637.1 Ų37.110%0.10420%0.204CC..Hα-helixtrans-65.7-32.8179.9-25.539.3000113.7N248 L249 A250 V507 E514N248-P510 HydrophobicContact CB-CG 4.14Å; L249-P510 WeakPolarHBondContact O-CG 3.32Å; A250-P510 HydrophobicContact CB-CB 4.04Å; V507-P510 HydrophobicContact CG1-CG 4.31Å; V507-P510 WeakPolarHBondContact O-CD 3.4Å; P510-E514 WeakPolarHBondContact O-CB 3.16Å; P510-E514 PolarHBondContact O-N 3.16Å
511W98.5Very high97.4Very high11 Ų1134.1 Ų34.14%0.04218%0.181CC..Hα-helixtrans-65.5-43.1174.1-177.291.9000111.8I62 W173 L176 E177 Y251 V507 S508 I509 E514 M515I62-W511 HydrophobicContact CD1-CZ3 4.26Å; W173-W511 AromaticContact CE3-CH2 3.79Å; W173-W511 HydrophobicContact CE3-CH2 3.79Å; W173-W511 HydrophobicContact CE3-CZ3 4.07Å; W173-W511 HydrophobicContact CZ3-CH2 4.2Å; L176-W511 HydrophobicContact CB-CH2 3.85Å; L176-W511 HydrophobicContact CB-CZ2 4.06Å; E177-W511 HydrophobicContact CB-CD2 3.96Å; E177-W511 HydrophobicContact CB-CE3 3.66Å; E177-W511 HydrophobicContact CB-CH2 3.96Å; E177-W511 HydrophobicContact CB-CZ2 4.24Å; E177-W511 HydrophobicContact CB-CZ3 3.67Å; E177-W511 HydrophobicContact CG-CD2 3.84Å; E177-W511 HydrophobicContact CG-CE3 3.71Å; E177-W511 HydrophobicContact CG-CG 4.19Å; E177-W511 HydrophobicContact CG-CZ3 4.25Å; Y251-W511 AromaticContact CE1-CD1 3.66Å; Y251-W511 AromaticContact CZ-CD1 3.78Å; Y251-W511 VanDerWaalsContact OH-CD1 3.31Å; V507-W511 WeakPolarHBondContact O-CB 3.4Å; V507-W511 PolarHBondContact O-N 2.53Å; S508-W511 PolarHBondContact O-N 3.25Å; I509-W511 VanDerWaalsContact C-N 3.33Å; I509-W511 PolarHBondContact O-N 3.34Å; W511-E514 WeakPolarHBondContact O-CB 3.29Å; W511-E514 PolarHBondContact O-N 3.11Å; W511-M515 HydrophobicContact CD2-CE 3.98Å; W511-M515 HydrophobicContact CD2-CG 4.19Å; W511-M515 VanDerWaalsContact CE2-CE 3.42Å; W511-M515 HydrophobicContact CE3-CG 4.01Å; W511-M515 HydrophobicContact CG-CE 4.3Å; W511-M515 HydrophobicContact CH2-CE 4.48Å; W511-M515 HydrophobicContact CH2-CG 3.83Å; W511-M515 HydrophobicContact CH2-SD 4.29Å; W511-M515 HydrophobicContact CZ2-CE 3.71Å; W511-M515 HydrophobicContact CZ2-CG 4Å; W511-M515 HydrophobicContact CZ2-SD 3.98Å; W511-M515 HydrophobicContact CZ3-CG 3.83Å; W511-M515 WeakPolarHBondContact O-CG 3.3Å; W511-M515 PolarHBondContact O-N 2.88Å; W511-M515 VanDerWaalsContact O-N 3.07Å
512Q98.7Very high97.5Very high3 Ų335 Ų351%0.01419%0.185CC..Hα-helixtrans-66.4-43.1177.7-70.9-177.930.400111.7P61 I62 E177 S508 I509 E514 M515 I516P61-Q512 HydrophobicContact CB-CB 4.1Å; P61-Q512 HydrophobicContact CG-CB 4.09Å; I62-Q512 HydrophobicContact CB-CB 4.33Å; I62-Q512 HydrophobicContact CB-CG 4.14Å; I62-Q512 HydrophobicContact CD1-CB 4.1Å; I62-Q512 HydrophobicContact CD1-CG 3.99Å; I62-Q512 HydrophobicContact CG1-CB 3.93Å; I62-Q512 HydrophobicContact CG1-CG 4.09Å; E177-Q512 PolarHBondContact OE2-NE2 2.96Å; S508-Q512 WeakPolarHBondContact O-CB 3.46Å; S508-Q512 VanDerWaalsContact O-CG 3.27Å; S508-Q512 WeakPolarHBondContact O-CG 3.26Å; S508-Q512 PolarHBondContact O-N 3.22Å; S508-Q512 PolarHBondContact OG-NE2 2.97Å; S508-Q512 VanDerWaalsContact OG-NE2 3.1Å; I509-Q512 PolarHBondContact O-N 2.94Å; Q512-E514 VanDerWaalsContact C-N 3.31Å; Q512-E514 PolarHBondContact O-N 3.49Å; Q512-M515 PolarHBondContact O-N 2.72Å; Q512-M515 VanDerWaalsContact O-N 3.15Å; Q512-I516 WeakPolarHBondContact O-CG1 3.49Å; Q512-I516 PolarHBondContact O-N 3.16Å; Q512-I516 VanDerWaalsContact O-N 3.1Å
513N98Very high97.5Very high53 Ų5339 Ų3928%0.28320%0.204SC..Hα-helixtrans-58.5-42.6172.4-78.2-25.2000111.6P61 I509 M515 I516 E517P61-N513 VanDerWaalsContact CB-OD1 3.32Å; P61-N513 WeakPolarHBondContact CB-OD1 3.4Å; P61-N513 WeakPolarHBondContact CG-OD1 3.34Å; I509-N513 PolarHBondContact O-N 2.99Å; N513-M515 VanDerWaalsContact C-N 3.35Å; N513-M515 PolarHBondContact O-N 3.45Å; N513-I516 PolarHBondContact O-N 2.99Å; N513-I516 VanDerWaalsContact O-N 3.17Å; N513-E517 WeakPolarHBondContact O-CB 3.39Å; N513-E517 VanDerWaalsContact O-CG 3.26Å; N513-E517 WeakPolarHBondContact O-CG 3.31Å; N513-E517 PolarHBondContact O-N 3.46Å
514E98Very high97.5Very high0 Ų038.7 Ų38.70%020%0.199CC..Hα-helixtrans-55.9-46.2172.7169.5178.8169.700112.7V205 T208 K210 Y212 Y251 P510 W511 Q512 I516 T518V205-E514 WeakPolarHBondContact CB-OE1 3.4Å; V205-E514 WeakPolarHBondContact CG1-OE1 3.42Å; V205-E514 WeakPolarHBondContact CG2-OE1 3.46Å; T208-E514 VanDerWaalsContact CB-OE1 3.27Å; T208-E514 WeakPolarHBondContact CB-OE1 3.33Å; T208-E514 HydrophobicContact CG2-CG 4Å; T208-E514 WeakPolarHBondContact CG2-OE1 3.31Å; T208-E514 PolarHBondContact OG1-OE1 3.44Å; K210-E514 HydrophobicContact CB-CG 3.92Å; K210-E514 HydrophobicContact CD-CB 3.65Å; K210-E514 HydrophobicContact CD-CG 3.53Å; K210-E514 HydrophobicContact CG-CG 4.34Å; Y212-E514 VanDerWaalsContact CE2-OE2 3.3Å; Y212-E514 WeakPolarHBondContact CE2-OE2 3.4Å; Y212-E514 PolarHBondContact OH-OE2 3.48Å; Y212-E514 VanDerWaalsContact OH-OE2 3.07Å; Y251-E514 WeakPolarHBondContact CE2-OE2 3.3Å; Y251-E514 VanDerWaalsContact OH-CD 3.26Å; Y251-E514 PolarHBondContact OH-OE1 2.97Å; Y251-E514 PolarHBondContact OH-OE2 2.94Å; P510-E514 WeakPolarHBondContact O-CB 3.16Å; P510-E514 PolarHBondContact O-N 3.16Å; W511-E514 WeakPolarHBondContact O-CB 3.29Å; W511-E514 PolarHBondContact O-N 3.11Å; Q512-E514 VanDerWaalsContact C-N 3.31Å; Q512-E514 PolarHBondContact O-N 3.49Å; E514-I516 VanDerWaalsContact C-N 3.26Å; E514-I516 PolarHBondContact O-N 3.09Å; E514-T518 HydrophobicContact CG-CG2 4.49Å; E514-T518 WeakPolarHBondContact O-CB 3.1Å; E514-T518 WeakPolarHBondContact O-CG2 3.48Å; E514-T518 PolarHBondContact O-N 3.15Å; E514-T518 VanDerWaalsContact O-N 3.07Å; E514-T518 PolarHBondContact O-OG1 2.83Å
515M98.7Very high97.5Very high3 Ų336.1 Ų36.12%0.01518%0.183CC..Hα-helixtrans-62.9-36.2179.2-62.3-56.1129.200111.8L34 I62 W173 T208 W511 Q512 N513 C520 F521L34-M515 HydrophobicContact CD1-SD 4Å; I62-M515 HydrophobicContact CD1-CB 4.04Å; I62-M515 HydrophobicContact CD1-CG 4.41Å; W173-M515 HydrophobicContact CE3-CG 4.47Å; W173-M515 HydrophobicContact CZ3-CB 4.1Å; W173-M515 HydrophobicContact CZ3-CG 3.89Å; W173-M515 HydrophobicContact CZ3-SD 4.29Å; T208-M515 HydrophobicContact CG2-CE 3.5Å; T208-M515 VanDerWaalsContact CG2-CE 3.5Å; T208-M515 HydrophobicContact CG2-SD 3.81Å; W511-M515 HydrophobicContact CD2-CE 3.98Å; W511-M515 HydrophobicContact CD2-CG 4.19Å; W511-M515 VanDerWaalsContact CE2-CE 3.42Å; W511-M515 HydrophobicContact CE3-CG 4.01Å; W511-M515 HydrophobicContact CG-CE 4.3Å; W511-M515 HydrophobicContact CH2-CE 4.48Å; W511-M515 HydrophobicContact CH2-CG 3.83Å; W511-M515 HydrophobicContact CH2-SD 4.29Å; W511-M515 HydrophobicContact CZ2-CE 3.71Å; W511-M515 HydrophobicContact CZ2-CG 4Å; W511-M515 HydrophobicContact CZ2-SD 3.98Å; W511-M515 HydrophobicContact CZ3-CG 3.83Å; W511-M515 WeakPolarHBondContact O-CG 3.3Å; W511-M515 PolarHBondContact O-N 2.88Å; W511-M515 VanDerWaalsContact O-N 3.07Å; Q512-M515 PolarHBondContact O-N 2.72Å; Q512-M515 VanDerWaalsContact O-N 3.15Å; N513-M515 VanDerWaalsContact C-N 3.35Å; N513-M515 PolarHBondContact O-N 3.45Å; M515-C520 WeakPolarHBondContact O-CA 3.34Å; M515-C520 WeakPolarHBondContact O-CB 3.46Å; M515-C520 PolarHBondContact O-N 3Å; M515-C520 HydrophobicContact SD-CB 4.19Å; M515-F521 HydrophobicContact CB-CB 4.43Å; M515-F521 PolarHBondContact O-N 3.43Å
516I98.3Very high97.4Very high50 Ų5039.8 Ų39.826%0.25620%0.202SC..Hα-helixtrans-71.6-56.7178.7-65161.7000110.5P61 I62 L65 Q512 N513 E514 T518 E519 F521P61-I516 HydrophobicContact CB-CD1 3.51Å; I62-I516 HydrophobicContact CG1-CD1 4.07Å; I62-I516 HydrophobicContact CG1-CG1 4.16Å; L65-I516 HydrophobicContact CD1-CD1 3.52Å; L65-I516 HydrophobicContact CD1-CG1 3.8Å; L65-I516 HydrophobicContact CD1-CG2 4.45Å; Q512-I516 WeakPolarHBondContact O-CG1 3.49Å; Q512-I516 PolarHBondContact O-N 3.16Å; Q512-I516 VanDerWaalsContact O-N 3.1Å; N513-I516 PolarHBondContact O-N 2.99Å; N513-I516 VanDerWaalsContact O-N 3.17Å; E514-I516 VanDerWaalsContact C-N 3.26Å; E514-I516 PolarHBondContact O-N 3.09Å; I516-T518 PolarHBondContact O-N 3.48Å; I516-E519 WeakPolarHBondContact O-CA 3.46Å; I516-E519 PolarHBondContact O-N 3.22Å; I516-F521 HydrophobicContact CG1-CB 4.07Å; I516-F521 HydrophobicContact CG1-CD1 4.5Å; I516-F521 HydrophobicContact CG1-CG 4.26Å
517E95.6Very high97.1Very high116 Ų11640.6 Ų40.654%0.54220%0.203SC..Hα-helixtrans-59.7-32.6-176.9-69.4166.2-141.900113.1K210 N513 E519K210-E517 VanDerWaalsContact CE-OE2 3.26Å; K210-E517 WeakPolarHBondContact CE-OE2 3.12Å; K210-E517 IonicContact NZ-OE1 2.85Å; K210-E517 PolarHBondContact NZ-OE1 3Å; K210-E517 VanDerWaalsContact NZ-OE1 3.08Å; K210-E517 IonicContact NZ-OE2 3.77Å; K210-E517 PolarHBondContact NZ-OE2 3.41Å; N513-E517 WeakPolarHBondContact O-CB 3.39Å; N513-E517 VanDerWaalsContact O-CG 3.26Å; N513-E517 WeakPolarHBondContact O-CG 3.31Å; N513-E517 PolarHBondContact O-N 3.46Å; E517-E519 PolarHBondContact O-N 2.92Å
518T95.8Very high96.7Very high23 Ų2340.6 Ų40.614%0.14121%0.206CC..THydrogen-bonded Turntrans-87.58.8177.662.20000113.3K26 K210 E514 I516 C520K26-T518 WeakPolarHBondContact CE-O 3.39Å; K26-T518 PolarHBondContact NZ-O 3.32Å; K210-T518 HydrophobicContact CB-CG2 3.87Å; K210-T518 HydrophobicContact CD-CG2 4.47Å; E514-T518 HydrophobicContact CG-CG2 4.49Å; E514-T518 WeakPolarHBondContact O-CB 3.1Å; E514-T518 WeakPolarHBondContact O-CG2 3.48Å; E514-T518 PolarHBondContact O-N 3.15Å; E514-T518 VanDerWaalsContact O-N 3.07Å; E514-T518 PolarHBondContact O-OG1 2.83Å; I516-T518 PolarHBondContact O-N 3.48Å; T518-C520 PolarHBondContact O-N 3.05Å; T518-C520 PolarHBondContact OG1-SG 3.34Å
519E97Very high96.2Very high78 Ų7844.1 Ų44.136%0.36423%0.228SC..THydrogen-bonded Turntrans60.69.3-177.7-55.7-67.8159.800113.9I516 E517 F521 K522 E523I516-E519 WeakPolarHBondContact O-CA 3.46Å; I516-E519 PolarHBondContact O-N 3.22Å; E517-E519 PolarHBondContact O-N 2.92Å; E519-F521 VanDerWaalsContact C-N 3.3Å; E519-F521 PolarHBondContact O-N 3.44Å; E519-K522 PolarHBondContact O-N 3.11Å; E519-K522 WeakPolarHBondContact OE2-CD 3.26Å; E519-E523 WeakPolarHBondContact O-CB 3.23Å; E519-E523 VanDerWaalsContact O-CG 3.3Å; E519-E523 WeakPolarHBondContact O-CG 3.43Å; E519-E523 PolarHBondContact O-N 3.49Å
520C97.8Very high95.4Very high0 Ų050.3 Ų50.30%026%0.262CS..Hα-helixtrans-63.6-39.4177-64.70000110.9K26 W30 L34 M515 T518 L524K26-C520 PolarHBondContact NZ-SG 3.27Å; W30-C520 HydrophobicContact CZ3-CB 4.23Å; L34-C520 HydrophobicContact CD1-CB 4.34Å; M515-C520 WeakPolarHBondContact O-CA 3.34Å; M515-C520 WeakPolarHBondContact O-CB 3.46Å; M515-C520 PolarHBondContact O-N 3Å; M515-C520 HydrophobicContact SD-CB 4.19Å; T518-C520 PolarHBondContact O-N 3.05Å; T518-C520 PolarHBondContact OG1-SG 3.34Å; C520-L524 VanDerWaalsContact O-CB 3.27Å; C520-L524 WeakPolarHBondContact O-CB 3.44Å; C520-L524 WeakPolarHBondContact O-CG 3.37Å; C520-L524 PolarHBondContact O-N 3.19Å
521F98.3Very high94.5Very high14 Ų1451.8 Ų51.86%0.06128%0.28CS..Hα-helixtrans-58.6-56.2174.1178.3-100.9000110.7I62 L65 L66 W173 M515 I516 E519 E523 L524 N525I62-F521 HydrophobicContact CB-CE2 4.4Å; I62-F521 HydrophobicContact CD1-CD2 3.88Å; I62-F521 HydrophobicContact CG1-CD2 3.79Å; I62-F521 HydrophobicContact CG1-CE2 4.12Å; I62-F521 HydrophobicContact CG1-CG 4.46Å; I62-F521 HydrophobicContact CG2-CD2 4.19Å; I62-F521 HydrophobicContact CG2-CE2 3.77Å; L65-F521 HydrophobicContact CB-CE1 4.18Å; L65-F521 HydrophobicContact CB-CZ 4.09Å; L65-F521 HydrophobicContact CD1-CD1 3.98Å; L65-F521 HydrophobicContact CD1-CE1 3.72Å; L65-F521 HydrophobicContact CD1-CZ 4.26Å; L66-F521 HydrophobicContact CD2-CZ 4.38Å; L66-F521 HydrophobicContact CG-CE2 4.41Å; L66-F521 HydrophobicContact CG-CZ 4.33Å; W173-F521 HydrophobicContact CD2-CD2 4.32Å; W173-F521 AromaticContact CE2-CD2 3.54Å; W173-F521 AromaticContact CE2-CE2 3.94Å; W173-F521 HydrophobicContact CH2-CB 4.33Å; W173-F521 HydrophobicContact CH2-CD2 4.27Å; W173-F521 HydrophobicContact CZ2-CB 4.26Å; W173-F521 AromaticContact CZ2-CD2 3.53Å; W173-F521 HydrophobicContact CZ2-CD2 3.53Å; W173-F521 HydrophobicContact CZ2-CE2 4.29Å; W173-F521 HydrophobicContact CZ2-CG 4.27Å; W173-F521 AromaticContact NE1-CD2 3.67Å; W173-F521 AromaticContact NE1-CE2 3.55Å; M515-F521 HydrophobicContact CB-CB 4.43Å; M515-F521 PolarHBondContact O-N 3.43Å; I516-F521 HydrophobicContact CG1-CB 4.07Å; I516-F521 HydrophobicContact CG1-CD1 4.5Å; I516-F521 HydrophobicContact CG1-CG 4.26Å; E519-F521 VanDerWaalsContact C-N 3.3Å; E519-F521 PolarHBondContact O-N 3.44Å; F521-E523 VanDerWaalsContact C-N 3.32Å; F521-E523 PolarHBondContact O-N 3.48Å; F521-L524 PolarHBondContact O-N 3.25Å; F521-N525 HydrophobicContact CD2-CB 4.06Å; F521-N525 HydrophobicContact CE1-CB 4.33Å; F521-N525 HydrophobicContact CE2-CB 3.85Å; F521-N525 HydrophobicContact CG-CB 4.38Å; F521-N525 HydrophobicContact CZ-CB 4.01Å; F521-N525 VanDerWaalsContact CZ-ND2 3.25Å; F521-N525 WeakPolarHBondContact CZ-ND2 3.34Å; F521-N525 WeakPolarHBondContact O-CA 3.47Å; F521-N525 WeakPolarHBondContact O-CB 3.35Å; F521-N525 PolarHBondContact O-N 3.05Å
522K96.9Very high94Very high155 Ų15554.9 Ų54.967%0.67430%0.3SS*.Hα-helixtrans-59-40.9-179.1-172.9179.3-175.7172.90113E519E519-K522 PolarHBondContact O-N 3.11Å; E519-K522 WeakPolarHBondContact OE2-CD 3.26Å
523E96.2Very high93.7Very high85 Ų8558.7 Ų58.740%0.39732%0.32SS..Hα-helixtrans-76.1-26.8-177.9-73.2-172.7-112.400114.3K26 W30 E519 F521K26-E523 IonicContact NZ-OE1 3.67Å; K26-E523 PolarHBondContact NZ-OE1 2.92Å; W30-E523 HydrophobicContact CH2-CB 3.83Å; W30-E523 HydrophobicContact CZ2-CB 4.43Å; W30-E523 VanDerWaalsContact CZ2-OE2 3.23Å; W30-E523 WeakPolarHBondContact CZ2-OE2 3.39Å; E519-E523 WeakPolarHBondContact O-CB 3.23Å; E519-E523 VanDerWaalsContact O-CG 3.3Å; E519-E523 WeakPolarHBondContact O-CG 3.43Å; E519-E523 PolarHBondContact O-N 3.49Å; F521-E523 VanDerWaalsContact C-N 3.32Å; F521-E523 PolarHBondContact O-N 3.48Å
524L96.8Very high93.4Very high27 Ų2756.5 Ų56.514%0.14131%0.309CS..Hα-helixtrans-101.4-31.2-178.4-66177.6000113W30 K31 L34 F36 W173 C520 F521 V526W30-L524 HydrophobicContact CE3-CD1 4.5Å; W30-L524 HydrophobicContact CH2-CD1 4.49Å; W30-L524 HydrophobicContact CH2-CD2 4.03Å; W30-L524 HydrophobicContact CH2-CG 3.99Å; W30-L524 HydrophobicContact CZ3-CD1 3.69Å; W30-L524 HydrophobicContact CZ3-CD2 3.89Å; W30-L524 HydrophobicContact CZ3-CG 3.68Å; K31-L524 HydrophobicContact CG-CD2 4.23Å; L34-L524 HydrophobicContact CB-CD1 3.67Å; L34-L524 HydrophobicContact CD1-CD1 4.28Å; F36-L524 HydrophobicContact CE2-CB 4.28Å; F36-L524 WeakPolarHBondContact CE2-O 3.3Å; F36-L524 HydrophobicContact CZ-CB 4.31Å; W173-L524 HydrophobicContact CH2-CB 4.15Å; W173-L524 HydrophobicContact CH2-CD1 4.15Å; W173-L524 HydrophobicContact CZ2-CB 4.14Å; C520-L524 VanDerWaalsContact O-CB 3.27Å; C520-L524 WeakPolarHBondContact O-CB 3.44Å; C520-L524 WeakPolarHBondContact O-CG 3.37Å; C520-L524 PolarHBondContact O-N 3.19Å; F521-L524 PolarHBondContact O-N 3.25Å; L524-V526 PolarHBondContact O-N 3.36Å
525N96.6Very high93.1Very high14 Ų1461.4 Ų61.48%0.07534%0.341CS..  trans-76.166-176.7-170.150.9000111.7Q69 R169 W173 F521Q69-N525 PolarHBondContact OE1-ND2 2.61Å; R169-N525 VanDerWaalsContact CD-OD1 3.31Å; R169-N525 WeakPolarHBondContact CD-OD1 3.48Å; R169-N525 WeakPolarHBondContact CG-OD1 3.15Å; R169-N525 PolarHBondContact NH1-OD1 3.1Å; W173-N525 HydrophobicContact CZ2-CB 4.21Å; F521-N525 HydrophobicContact CD2-CB 4.06Å; F521-N525 HydrophobicContact CE1-CB 4.33Å; F521-N525 HydrophobicContact CE2-CB 3.85Å; F521-N525 HydrophobicContact CG-CB 4.38Å; F521-N525 HydrophobicContact CZ-CB 4.01Å; F521-N525 VanDerWaalsContact CZ-ND2 3.25Å; F521-N525 WeakPolarHBondContact CZ-ND2 3.34Å; F521-N525 WeakPolarHBondContact O-CA 3.47Å; F521-N525 WeakPolarHBondContact O-CB 3.35Å; F521-N525 PolarHBondContact O-N 3.05Å
526V94.3Very high92.9Very high88 Ų8863.2 Ų63.253%0.53335%0.351SS..  trans-111.5137.6-179.3-175.80000109R169 L524R169-V526 PolarHBondContact NH1-O 2.97Å; R169-V526 PolarHBondContact NH2-O 3.25Å; L524-V526 PolarHBondContact O-N 3.36Å
527F93.4Very high92.7Very high38 Ų3860.9 Ų60.917%0.16734%0.339CS..  trans-102.6174.6173.9-64.8-83.4000110.1L66 M165 Y166 R169 L537L66-F527 HydrophobicContact CD2-CZ 4.41Å; M165-F527 HydrophobicContact CE-CB 4.22Å; M165-F527 HydrophobicContact CE-CD1 3.44Å; M165-F527 VanDerWaalsContact CE-CD1 3.44Å; M165-F527 HydrophobicContact CE-CD2 4.39Å; M165-F527 HydrophobicContact CE-CE1 3.8Å; M165-F527 HydrophobicContact CE-CG 3.77Å; M165-F527 HydrophobicContact CE-CZ 4.42Å; M165-F527 HydrophobicContact CG-CD1 4.47Å; M165-F527 HydrophobicContact CG-CE1 4.18Å; M165-F527 HydrophobicContact SD-CD1 3.89Å; M165-F527 HydrophobicContact SD-CE1 4.2Å; Y166-F527 HydrophobicContact CD1-CE2 4.14Å; Y166-F527 AromaticContact CD1-CZ 3.79Å; Y166-F527 HydrophobicContact CD1-CZ 3.79Å; Y166-F527 AromaticContact CE1-CE2 3.95Å; Y166-F527 HydrophobicContact CE1-CE2 3.95Å; Y166-F527 AromaticContact CE1-CZ 3.98Å; Y166-F527 HydrophobicContact CE1-CZ 3.98Å; R169-F527 HydrophobicContact CB-CE1 3.98Å; R169-F527 HydrophobicContact CB-CZ 3.96Å; R169-F527 HydrophobicContact CG-CE1 4.24Å; R169-F527 HydrophobicContact CG-CZ 3.91Å; F527-L537 HydrophobicContact CD1-CD1 3.92Å; F527-L537 HydrophobicContact CE1-CD1 3.86Å
528G89.8Confident92.6Very high13 Ų1357.1 Ų57.113%0.13432%0.322CS..  trans-63.7167.5173.600000112.3G531 T532G528-G531 PolarHBondContact O-N 3.24Å; G528-T532 VanDerWaalsContact CA-O 3.3Å; G528-T532 WeakPolarHBondContact CA-O 3.46Å; G528-T532 WeakPolarHBondContact CA-OG1 3.4Å; G528-T532 PolarHBondContact N-O 3.39Å
529P86.5Confident92.3Very high100 Ų10061.9 Ų61.965%0.64934%0.338SS*.G310 helixtrans-50.9143.7175-24.233.8000111.6G531 T532P529-G531 PolarHBondContact O-N 3.25Å; P529-G531 VanDerWaalsContact O-N 3.1Å; P529-T532 WeakPolarHBondContact O-CB 3.46Å; P529-T532 VanDerWaalsContact O-CG2 3.31Å; P529-T532 WeakPolarHBondContact O-CG2 3.46Å; P529-T532 PolarHBondContact O-N 2.9Å; P529-T532 VanDerWaalsContact O-N 3.08Å; P529-T532 PolarHBondContact O-OG1 3.12Å
530D81.1Confident91.8Very high170 Ų17064.7 Ų64.791%0.90936%0.355SS*.G310 helixtrans54.429.4177.2-50-43.8000114.7
531G78.3Confident91.1Very high47 Ų4770.7 Ų70.749%0.48538%0.383SS..G310 helixtrans79.317.8178.700000114.5M165 G528 P529M165-G531 VanDerWaalsContact CE-O 3.29Å; M165-G531 WeakPolarHBondContact CE-O 3.38Å; G528-G531 PolarHBondContact O-N 3.24Å; P529-G531 PolarHBondContact O-N 3.25Å; P529-G531 VanDerWaalsContact O-N 3.1Å
532T88.5Confident90Very high76 Ų7674.5 Ų74.547%0.46641%0.409SS..PPolyproline II helixtrans-79.5172.5176.758.90000113.1G528 P529G528-T532 VanDerWaalsContact CA-O 3.3Å; G528-T532 WeakPolarHBondContact CA-O 3.46Å; G528-T532 WeakPolarHBondContact CA-OG1 3.4Å; G528-T532 PolarHBondContact N-O 3.39Å; P529-T532 WeakPolarHBondContact O-CB 3.46Å; P529-T532 VanDerWaalsContact O-CG2 3.31Å; P529-T532 WeakPolarHBondContact O-CG2 3.46Å; P529-T532 PolarHBondContact O-N 2.9Å; P529-T532 VanDerWaalsContact O-N 3.08Å; P529-T532 PolarHBondContact O-OG1 3.12Å
533L90.9Very high88.9Confident82 Ų8270.6 Ų70.643%0.42940%0.4SS..PPolyproline II helixtrans-66.6133.4177.3-64.5174.8000111.8M165 L537M165-L533 HydrophobicContact CB-CD2 3.62Å; M165-L533 HydrophobicContact CG-CD2 4.41Å; M165-L533 HydrophobicContact SD-CD2 3.92Å; L533-L537 HydrophobicContact CB-CB 4.45Å; L533-L537 HydrophobicContact CD2-CB 4.08Å
534S92.8Very high87.5Confident7 Ų774.5 Ų74.55%0.04942%0.418CS..PPolyproline II helixtrans-72.3159166.564.90000110.8R169 D536 L537 N538R169-S534 PolarHBondContact NH2-OG 3.06Å; S534-D536 WeakPolarHBondContact CB-OD1 3.43Å; S534-D536 PolarHBondContact O-N 2.67Å; S534-D536 PolarHBondContact OG-OD1 3.38Å; S534-D536 PolarHBondContact OG-OD2 3.01Å; S534-L537 PolarHBondContact O-N 3.31Å; S534-N538 PolarHBondContact O-N 3.18Å; S534-N538 VanDerWaalsContact O-N 3.17Å
535P91.7Very high85.7Confident103 Ų10378.5 Ų78.567%0.66945%0.446SS*.THydrogen-bonded Turntrans-56-34.8-178.9-2835.8000114.4L537 N538P535-L537 VanDerWaalsContact C-N 3.28Å; P535-L537 PolarHBondContact O-N 3.43Å; P535-N538 PolarHBondContact O-N 3.46Å
536D93.7Very high83.9Confident41 Ų4183.5 Ų83.522%0.21948%0.479CS..THydrogen-bonded Turntrans-69.8-21.1177.655.3-85.9000114.1H38 I39 R169 Q172 S534H38-D536 WeakPolarHBondContact CA-O 3.28Å; I39-D536 PolarHBondContact N-O 2.96Å; R169-D536 IonicContact NH2-OD2 3.6Å; R169-D536 PolarHBondContact NH2-OD2 3.17Å; Q172-D536 PolarHBondContact NE2-O 3.22Å; Q172-D536 PolarHBondContact NE2-OD2 3.25Å; Q172-D536 PolarHBondContact OE1-OD2 3.13Å; S534-D536 WeakPolarHBondContact CB-OD1 3.43Å; S534-D536 PolarHBondContact O-N 2.67Å; S534-D536 PolarHBondContact OG-OD1 3.38Å; S534-D536 PolarHBondContact OG-OD2 3.01Å
537L95.2Very high82Confident2 Ų288.1 Ų88.11%0.0149%0.492CS..THydrogen-bonded Turntrans-94.4-13.1175.2-69.7174000112.9I39 D168 Q172 F527 L533 S534 P535 R539I39-L537 HydrophobicContact CB-CD2 4.48Å; I39-L537 HydrophobicContact CD1-CD2 4.31Å; D168-L537 HydrophobicContact CB-CD2 3.74Å; Q172-L537 HydrophobicContact CG-CD2 4.46Å; Q172-L537 VanDerWaalsContact OE1-CD2 3.26Å; F527-L537 HydrophobicContact CD1-CD1 3.92Å; F527-L537 HydrophobicContact CE1-CD1 3.86Å; L533-L537 HydrophobicContact CB-CB 4.45Å; L533-L537 HydrophobicContact CD2-CB 4.08Å; S534-L537 PolarHBondContact O-N 3.31Å; P535-L537 VanDerWaalsContact C-N 3.28Å; P535-L537 PolarHBondContact O-N 3.43Å; L537-R539 PolarHBondContact O-N 2.78Å; L537-R539 VanDerWaalsContact O-N 3.16Å
538N92.1Very high79.9Confident36 Ų3692.7 Ų92.719%0.19351%0.512CS..  trans-82.799.3-175-169.8-22.5000111.7H38 S534 P535 N540 H541H38-N538 PolarHBondContact NE2-O 3.16Å; H38-N538 VanDerWaalsContact NE2-O 3.14Å; S534-N538 PolarHBondContact O-N 3.18Å; S534-N538 VanDerWaalsContact O-N 3.17Å; P535-N538 PolarHBondContact O-N 3.46Å; N538-N540 PolarHBondContact O-N 2.79Å; N538-N540 WeakPolarHBondContact OD1-CB 3.25Å; N538-N540 PolarHBondContact OD1-N 2.87Å; N538-H541 HydrophobicContact CB-CB 4.48Å; N538-H541 VanDerWaalsContact CG-ND1 3.3Å; N538-H541 PolarHBondContact ND2-ND1 3.04Å; N538-H541 PolarHBondContact O-N 2.63Å
539R89.8Confident78.1Confident123 Ų12394.1 Ų94.146%0.46453%0.527SS..THydrogen-bonded Turntrans-53.2-26.6178.8-67.1177.9177-101.3-6.4114.6I39 E43 L537 H541I39-R539 HydrophobicContact CG2-CG 3.71Å; E43-R539 IonicContact OE1-CZ 2.72Å; E43-R539 IonicContact OE1-NH1 3.1Å; E43-R539 PolarHBondContact OE1-NH1 3.17Å; E43-R539 IonicContact OE1-NH2 2.64Å; E43-R539 PolarHBondContact OE1-NH2 3.11Å; L537-R539 PolarHBondContact O-N 2.78Å; L537-R539 VanDerWaalsContact O-N 3.16Å; R539-H541 VanDerWaalsContact C-N 3.29Å
540N88.1Confident76.4Confident138 Ų13895.7 Ų95.774%0.73853%0.529SS*.THydrogen-bonded Turntrans-80.9-9.3-179.4-61.7-30.1000113.2N538 P542N538-N540 PolarHBondContact O-N 2.79Å; N538-N540 WeakPolarHBondContact OD1-CB 3.25Å; N538-N540 PolarHBondContact OD1-N 2.87Å; N540-P542 VanDerWaalsContact C-CD 3.49Å; N540-P542 WeakPolarHBondContact O-CD 3.42Å
541H82.9Confident74.6Confident125 Ų12593.5 Ų93.558%0.57952%0.517SS*.SBendtrans-119.573.3179.8-66.4113.9000110.7H38 N538 R539H38-H541 PolarHBondContact NE2-O 2.99Å; N538-H541 HydrophobicContact CB-CB 4.48Å; N538-H541 VanDerWaalsContact CG-ND1 3.3Å; N538-H541 PolarHBondContact ND2-ND1 3.04Å; N538-H541 PolarHBondContact O-N 2.63Å; R539-H541 VanDerWaalsContact C-N 3.29Å
542P74.3Confident73.3Confident94 Ų9497 Ų9761%0.6152%0.52SS*.PPolyproline II helixtrans-60.3153.5-17926.3-34.6000111.7N540 E544N540-P542 VanDerWaalsContact C-CD 3.49Å; N540-P542 WeakPolarHBondContact O-CD 3.42Å; P542-E544 PolarHBondContact O-N 3.3Å
543P73.9Confident71.4Confident74 Ų74101.1 Ų101.148%0.48153%0.527SS..PPolyproline II helixtrans-61.8139.6-173.422.9-31000111.5H38H38-P543 HydrophobicContact CB-CB 4.32Å; H38-P543 HydrophobicContact CB-CG 3.91Å
544E66.1Low69.6Low166 Ų166101.4 Ų101.478%0.77653%0.528SS*.PPolyproline II helixtrans-55.7136.8172.7-71.8-171.5166.600110.3P542P542-E544 PolarHBondContact O-N 3.3Å
545P59.5Low67.6Low112 Ų112107.1 Ų107.173%0.72755%0.553SS**PPolyproline II helixtrans-57.8142.5177.622.3-31.3000110.1K547P545-K547 PolarHBondContact O-N 3.41Å
546P58.5Low65.6Low119 Ų119109.1 Ų109.177%0.77355%0.551SS**PPolyproline II helixtrans-53.6131.3-175.518.4-29.9000110.5K548P546-K548 PolarHBondContact O-N 2.95Å
547K54.9Low63.2Low184 Ų184116.5 Ų116.580%0.858%0.575SS**  trans-55.3109.8179.3-74.7-175.5179177.10108.8P545 G549P545-K547 PolarHBondContact O-N 3.41Å; K547-G549 PolarHBondContact O-N 3.42Å
548K49.9Very low61Low134 Ų134122.3 Ų122.358%0.58360%0.603SS**  trans-51.6122.7177-66.2-174.4179.4-1790109.3P546 Q552P546-K548 PolarHBondContact O-N 2.95Å; K548-Q552 HydrophobicContact CB-CB 4.3Å
549G52.3Low58.5Low44 Ų44128 Ų12845%0.45463%0.628SS.*  trans-57.8157.3-17800000112.5K547 L551 Q552 R553K547-G549 PolarHBondContact O-N 3.42Å; G549-L551 PolarHBondContact O-N 3.44Å; G549-L551 VanDerWaalsContact O-N 3.07Å; G549-Q552 PolarHBondContact O-N 3.34Å; G549-R553 PolarHBondContact O-N 3.4Å
550L49.3Very low56.4Low133 Ų133129 Ų12970%0.69664%0.638SS**Hα-helixtrans-50.8-37.3-176.7-15086.2000112.5Q552 R553 I554L550-Q552 PolarHBondContact O-N 3.06Å; L550-R553 PolarHBondContact O-N 3.46Å; L550-I554 HydrophobicContact CD2-CD1 4.43Å; L550-I554 WeakPolarHBondContact O-CG1 3.33Å; L550-I554 PolarHBondContact O-N 3Å; L550-I554 VanDerWaalsContact O-N 3.08Å
551L44.5Very low54.1Low124 Ų124129 Ų12965%0.64964%0.637SS**Hα-helixtrans-60.8-43.8177.4-72.1164000112.5G549 R553 I554 F555G549-L551 PolarHBondContact O-N 3.44Å; G549-L551 VanDerWaalsContact O-N 3.07Å; L551-R553 VanDerWaalsContact C-N 3.3Å; L551-R553 PolarHBondContact O-N 3.01Å; L551-I554 PolarHBondContact O-N 3.29Å; L551-I554 VanDerWaalsContact O-N 3.15Å; L551-F555 HydrophobicContact CB-CE2 4.49Å; L551-F555 HydrophobicContact CD2-CE2 4.48Å; L551-F555 WeakPolarHBondContact O-CD2 3.47Å; L551-F555 PolarHBondContact O-N 3.05Å
552Q50.8Low52Low119 Ų119129.8 Ų129.856%0.55665%0.646SS**Hα-helixtrans-68-28.1177.1-79.4-178.1-9.500112.9K548 G549 L550 K556K548-Q552 HydrophobicContact CB-CB 4.3Å; G549-Q552 PolarHBondContact O-N 3.34Å; L550-Q552 PolarHBondContact O-N 3.06Å; Q552-K556 PolarHBondContact O-N 3.01Å
553R48.9Very low50.2Low164 Ų164129.8 Ų129.862%0.61965%0.648SS**Hα-helixtrans-71.1-34.1171.8-75.5-177.5-175.8166.30.1112.2G549 L550 L551 R557G549-R553 PolarHBondContact O-N 3.4Å; L550-R553 PolarHBondContact O-N 3.46Å; L551-R553 VanDerWaalsContact C-N 3.3Å; L551-R553 PolarHBondContact O-N 3.01Å; R553-R557 PolarHBondContact O-N 3.05Å
554I52.3Low48.4Very low88 Ų88135.7 Ų135.745%0.45167%0.666SS.*Hα-helixtrans-71.5-45.3177.5-65.9165.6000110.6L550 L551 K556 R557 Q558L550-I554 HydrophobicContact CD2-CD1 4.43Å; L550-I554 WeakPolarHBondContact O-CG1 3.33Å; L550-I554 PolarHBondContact O-N 3Å; L550-I554 VanDerWaalsContact O-N 3.08Å; L551-I554 PolarHBondContact O-N 3.29Å; L551-I554 VanDerWaalsContact O-N 3.15Å; I554-K556 VanDerWaalsContact C-N 3.34Å; I554-K556 PolarHBondContact O-N 3.42Å; I554-R557 PolarHBondContact O-N 3.36Å; I554-R557 VanDerWaalsContact O-N 3.13Å; I554-Q558 PolarHBondContact O-N 3.1Å
555F51Low46.7Very low127 Ų127133.3 Ų133.356%0.55767%0.668SS**Hα-helixtrans-66.2-31.9178.7-75.4-69.2000113.5L551 R557 H559L551-F555 HydrophobicContact CB-CE2 4.49Å; L551-F555 HydrophobicContact CD2-CE2 4.48Å; L551-F555 WeakPolarHBondContact O-CD2 3.47Å; L551-F555 PolarHBondContact O-N 3.05Å; F555-R557 VanDerWaalsContact C-N 3.34Å; F555-H559 PolarHBondContact O-N 3.2Å
556K48.8Very low45.3Very low144 Ų144133.4 Ų133.463%0.62667%0.671SS**Hα-helixtrans-70.4-30.5173.2-125.1-172.2-177.8-164.20113Q552 I554 H559 Q560Q552-K556 PolarHBondContact O-N 3.01Å; I554-K556 VanDerWaalsContact C-N 3.34Å; I554-K556 PolarHBondContact O-N 3.42Å; K556-H559 PolarHBondContact O-N 2.96Å; K556-Q560 PolarHBondContact O-N 2.84Å
557R45.1Very low44.8Very low197 Ų197133.3 Ų133.374%0.74367%0.67SS**Hα-helixtrans-72.9-31.7178.1-132.1177178.5-176.3-1.8112R553 I554 F555R553-R557 PolarHBondContact O-N 3.05Å; I554-R557 PolarHBondContact O-N 3.36Å; I554-R557 VanDerWaalsContact O-N 3.13Å; F555-R557 VanDerWaalsContact C-N 3.34Å
558Q47.1Very low43.5Very low124 Ų124129.7 Ų129.758%0.57967%0.668SS**Hα-helixtrans-70.2-36.2171.5-86.4-178.9-23.600112.6I554 Q560 N561I554-Q558 PolarHBondContact O-N 3.1Å; Q558-Q560 PolarHBondContact O-N 3.3Å; Q558-N561 PolarHBondContact O-N 3.18Å
559H41.2Very low42.4Very low155 Ų155128 Ų12872%0.71867%0.674SS**Hα-helixtrans-71.5-26.1178.2-103-47.3000114.7F555 K556F555-H559 PolarHBondContact O-N 3.2Å; K556-H559 PolarHBondContact O-N 2.96Å
560Q44.6Very low41.3Very low145 Ų145135.2 Ų135.268%0.67869%0.693SS**Hα-helixtrans-80.8-18.9175.4-80.8-176.3-19.200113.9K556 Q558 S563K556-Q560 PolarHBondContact O-N 2.84Å; Q558-Q560 PolarHBondContact O-N 3.3Å; Q560-S563 PolarHBondContact O-OG 3.22Å
561N39.5Very low40.3Very low137 Ų137135.4 Ų135.473%0.73370%0.699SS**Hα-helixtrans-85.8-13.4177.4-83.91.3000113.8Q558Q558-N561 PolarHBondContact O-N 3.18Å
562N39.2Very low39.6Very low142 Ų142136.1 Ų136.176%0.75970%0.704SS**SBendtrans-94.74.1179.4-85.15.3000114.6
563S36.4Very low38.6Very low93 Ų93140.2 Ų140.265%0.6572%0.72SS**SBendtrans-104.818.3-17760.70000115.2Q560Q560-S563 PolarHBondContact O-OG 3.22Å
564K36.3Very low37.7Very low199 Ų199139.3 Ų139.387%0.86573%0.728SS**  trans-118.973.8171.8-75.8-171.7176.8-177.80112.1
565S30.9Very low36.7Very low116 Ų116143.5 Ų143.581%0.81175%0.745SS**  trans-164.7113.1151.956.20000110.3
566S29.9Very low35.7Very low114 Ų114145 Ų14580%0.79775%0.753SS**  trans-124.1171.115752.70000106.6
567P49Very low34.9Very low116 Ų116144.4 Ų144.475%0.75376%0.756SS**  cis-137.8171.22.637.5-18.8000114.9
568S25.7Very low34.1Very low108 Ų108142.1 Ų142.176%0.75576%0.758SS**  162125.6125.963.80000116.3
569S28.1Very low33.3Very low100 Ų100141.6 Ų141.670%0.69977%0.768SS**  trans62.3124.3139.365.20000125.5
570K29.3Very low32.8Very low195 Ų195141.4 Ų141.485%0.84877%0.773SS**  trans66.1141.1140.1-67.6179.4180179.80117
571T27.9Very low32.3Very low136 Ų136142.6 Ų142.683%0.83478%0.778SS**  cis-170.6164.830.1-4.90000110.8
572N29.9Very low32.1Very low139 Ų139141.5 Ų141.574%0.74378%0.776SS**  trans-47.8154.5175.3-71-23.6000117.8
573F29.1Very low31.7Very low206 Ų206139.4 Ų139.490%0.90477%0.772SS**  175.6146.4108.5-105.3-82.9000114.1
574N30.6Very low31.6Very low145 Ų145139.6 Ų139.678%0.77577%0.774SS**  trans-76.6153.6175.2-84.3-27.7000113.7
575H30.5Very low31.6Very low175 Ų175137.7 Ų137.781%0.8177%0.773SS**  -175.8122.9125.5-104.6-67000114.2
576H30.1Very low31.8Very low160 Ų160136.7 Ų136.774%0.74177%0.766SS**  trans4.5154.5133.5-79.5-53.2000120.3
577I32.9Very low32.1Very low131 Ų131137.9 Ų137.967%0.67277%0.768SS**  cis-173.4157.126.7-119.6159.8000111.9
578N28.8Very low31.3Very low148 Ų148135.8 Ų135.879%0.79177%0.768SS**  trans61.3132150.9-74.1-6.6000126.1
579S29.2Very low32.4Very low113 Ų113136.3 Ų136.379%0.7977%0.772SS**  trans-150.5121.3132.560.10000110.8
580N31Very low33.2Very low152 Ų152141 Ų14181%0.81380%0.804SS**  trans-148.6123.3167.5-112.1-2.6000109.9
581H33.6Very low33.4Very low169 Ų169138.3 Ų138.378%0.78280%0.802SS**  trans162.6110.9137.2-96.5-65.1000108.3
582V35.4Very low33.7Very low115 Ų115138.4 Ų138.470%0.69780%0.8SS**  67.2122.381-178.20000110.1
583S31.9Very low33.9Very low98 Ų98138.3 Ų138.369%0.68580%0.803SS**  -168.8128.277.4-39.10000110
584S33.4Very low34.2Very low97 Ų97134.4 Ų134.468%0.67880%0.798SS**  87.7107.110167.60000113
585N35.5Very low34.4Very low159 Ų159133.7 Ų133.785%0.8580%0.799SS**  63.4137.492.1-78.20.5000111.5
586S36.9Very low34.7Very low94 Ų94130.9 Ų130.966%0.65780%0.798SS**  cis174.1141.911.341.60000102.3
587T35.8Very low35Very low139 Ų139128.9 Ų128.985%0.85380%0.802SS**  166.3143.998.242.70000103.5
588G32.8Very low35.2Very low73 Ų73128.7 Ų128.775%0.75381%0.812SS**  139.9130.965.100000106.2
589S47.6Very low35.7Very low118 Ų118127.1 Ų127.183%0.82581%0.814SS**  trans-65.1155.3-167.1-38.10000114.7
590S45.6Very low36.3Very low198 Ų198128.4 Ų128.4100%1.38582%0.816SS**  -165.90107.6-71.30000109.8

Retrieved 590 of 590 residues in 1113.1 ms (Link to these results)

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