A0A087YIK4_POEFO Loading...

Sec1 family domain containing 2

AlphaFold DB , UniProt , Accession A0A087YIK4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 690 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
1M42.9Very low66.2Low204 Ų20462.1 Ų62.1100%1.00532%0.323SS*.  0119.80-78.3175.6130.500105.5T3M1-T3 PolarHBondContact O-N 2.68Å
2S50.5Low67.9Low28 Ų2863.7 Ų63.720%0.19633%0.331CS..  trans-65.8132.6171.3-178.30000108.9D6 F7S2-D6 WeakPolarHBondContact CA-OD2 3.44Å; S2-D6 WeakPolarHBondContact CB-OD2 3.47Å; S2-D6 VanDerWaalsContact OG-CB 3.28Å; S2-D6 WeakPolarHBondContact OG-CB 3.23Å; S2-D6 PolarHBondContact OG-OD2 3.41Å; S2-F7 WeakPolarHBondContact OG-CE2 3.2Å
3T56.9Low69.5Low62 Ų6263.8 Ų63.838%0.3833%0.332SS..  trans-92.3158.8178.266.50000109.7M1 E5 D6 F7M1-T3 PolarHBondContact O-N 2.68Å; T3-E5 PolarHBondContact O-N 3.07Å; T3-E5 VanDerWaalsContact O-N 3.1Å; T3-E5 PolarHBondContact OG1-N 2.79Å; T3-D6 PolarHBondContact N-OD2 3.4Å; T3-D6 WeakPolarHBondContact O-CB 3.29Å; T3-D6 PolarHBondContact O-N 3.03Å; T3-F7 WeakPolarHBondContact O-CD2 3.42Å
4A57.1Low71Confident13 Ų1361.1 Ų61.111%0.10732%0.317CS..Hα-helixtrans-51-32.2170.300000112.9D6 F7 T8 Q660 L662A4-D6 PolarHBondContact O-N 3.15Å; A4-F7 WeakPolarHBondContact O-CB 3.26Å; A4-F7 PolarHBondContact O-N 3.44Å; A4-T8 WeakPolarHBondContact O-CG2 3.5Å; A4-T8 PolarHBondContact O-N 3.13Å; A4-Q660 HydrophobicContact CB-CG 3.83Å; A4-L662 HydrophobicContact CB-CD1 4.43Å; A4-L662 HydrophobicContact CB-CD2 4.08Å
5E60.4Low72.6Confident141 Ų14157 Ų5766%0.65930%0.296SS*.Hα-helixtrans-59.6-33.6176.8-63.1-175.7163.300111.7T3 F7 T8T3-E5 PolarHBondContact O-N 3.07Å; T3-E5 VanDerWaalsContact O-N 3.1Å; T3-E5 PolarHBondContact OG1-N 2.79Å; E5-F7 VanDerWaalsContact C-N 3.34Å; E5-F7 PolarHBondContact O-N 3.24Å; E5-T8 PolarHBondContact O-N 2.92Å; E5-T8 PolarHBondContact O-OG1 2.77Å
6D67.4Low73.9Confident75 Ų7560.8 Ų60.840%0.40131%0.312SS..Hα-helixtrans-67.6-36.3174.6-54.7-30.2000111.3S2 T3 A4 Q9S2-D6 WeakPolarHBondContact CA-OD2 3.44Å; S2-D6 WeakPolarHBondContact CB-OD2 3.47Å; S2-D6 VanDerWaalsContact OG-CB 3.28Å; S2-D6 WeakPolarHBondContact OG-CB 3.23Å; S2-D6 PolarHBondContact OG-OD2 3.41Å; T3-D6 PolarHBondContact N-OD2 3.4Å; T3-D6 WeakPolarHBondContact O-CB 3.29Å; T3-D6 PolarHBondContact O-N 3.03Å; A4-D6 PolarHBondContact O-N 3.15Å; D6-Q9 PolarHBondContact O-N 3.5Å
7F72.1Confident75.1Confident2 Ų264.6 Ų64.61%0.00933%0.326CS..Hα-helixtrans-69.5-34.6178.9-75.7-84000112.5S2 T3 A4 E5 Q9 L10 A222 M224 L631 F633 L662S2-F7 WeakPolarHBondContact OG-CE2 3.2Å; T3-F7 WeakPolarHBondContact O-CD2 3.42Å; A4-F7 WeakPolarHBondContact O-CB 3.26Å; A4-F7 PolarHBondContact O-N 3.44Å; E5-F7 VanDerWaalsContact C-N 3.34Å; E5-F7 PolarHBondContact O-N 3.24Å; F7-Q9 PolarHBondContact O-N 2.77Å; F7-L10 HydrophobicContact CB-CD1 4.2Å; F7-L10 HydrophobicContact CD1-CD1 3.3Å; F7-L10 HydrophobicContact CE1-CD1 3.84Å; F7-L10 HydrophobicContact CG-CD1 4.04Å; F7-L10 WeakPolarHBondContact O-CB 3.49Å; F7-L10 PolarHBondContact O-N 3.27Å; F7-A222 HydrophobicContact CD1-CB 4.32Å; F7-A222 HydrophobicContact CE1-CB 3.45Å; F7-A222 VanDerWaalsContact CE1-CB 3.45Å; F7-A222 HydrophobicContact CZ-CB 3.73Å; F7-M224 HydrophobicContact CE1-CE 3.47Å; F7-M224 VanDerWaalsContact CE1-CE 3.47Å; F7-M224 HydrophobicContact CE1-SD 3.88Å; F7-M224 HydrophobicContact CZ-CE 3.77Å; F7-M224 HydrophobicContact CZ-SD 3.49Å; F7-M224 WeakPolarHBondContact CZ-SD 3.36Å; F7-L631 HydrophobicContact CD2-CD2 4Å; F7-L631 HydrophobicContact CE1-CD2 4.34Å; F7-L631 HydrophobicContact CE2-CD2 3.34Å; F7-L631 HydrophobicContact CZ-CD2 3.56Å; F7-F633 HydrophobicContact CD1-CE1 4.15Å; F7-F633 AromaticContact CD1-CZ 3.75Å; F7-F633 HydrophobicContact CD1-CZ 3.75Å; F7-F633 HydrophobicContact CE1-CE1 4.43Å; F7-F633 HydrophobicContact CE1-CE2 4.46Å; F7-F633 AromaticContact CE1-CZ 3.59Å; F7-F633 HydrophobicContact CE1-CZ 3.59Å; F7-F633 HydrophobicContact CG-CZ 4.37Å; F7-F633 HydrophobicContact CZ-CZ 4.03Å; F7-L662 HydrophobicContact CB-CD1 3.73Å; F7-L662 HydrophobicContact CD2-CD1 4.22Å; F7-L662 HydrophobicContact CG-CD1 3.91Å
8T69.1Low76.3Confident32 Ų3261 Ų6120%0.19631%0.308CS..Hα-helixtrans-63.5-22.817764.20000113.3A4 E5 H154A4-T8 WeakPolarHBondContact O-CG2 3.5Å; A4-T8 PolarHBondContact O-N 3.13Å; E5-T8 PolarHBondContact O-N 2.92Å; E5-T8 PolarHBondContact O-OG1 2.77Å; T8-H154 VanDerWaalsContact CB-CD2 3.46Å; T8-H154 WeakPolarHBondContact CB-CD2 3.46Å; T8-H154 VanDerWaalsContact CB-NE2 3.25Å; T8-H154 WeakPolarHBondContact CB-NE2 3.4Å; T8-H154 WeakPolarHBondContact CG2-NE2 3.34Å
9Q80.6Confident77.5Confident116 Ų11659.6 Ų59.654%0.54230%0.3SS..Hα-helixtrans-89.5-16178.8-62.3-176.915.700113.4D6 F7 L12 L13D6-Q9 PolarHBondContact O-N 3.5Å; F7-Q9 PolarHBondContact O-N 2.77Å; Q9-L12 WeakPolarHBondContact O-CB 3.41Å; Q9-L12 PolarHBondContact O-N 2.9Å; Q9-L13 PolarHBondContact O-N 2.94Å
10L83.3Confident78.5Confident7 Ų760.7 Ų60.74%0.03732%0.318CS..Hα-helixtrans-57.9-42.4-175.8-64.8168.7000113.6F7 L12 L13 M14 M218 A221 A222F7-L10 HydrophobicContact CB-CD1 4.2Å; F7-L10 HydrophobicContact CD1-CD1 3.3Å; F7-L10 HydrophobicContact CE1-CD1 3.84Å; F7-L10 HydrophobicContact CG-CD1 4.04Å; F7-L10 WeakPolarHBondContact O-CB 3.49Å; F7-L10 PolarHBondContact O-N 3.27Å; L10-L12 VanDerWaalsContact C-N 3.27Å; L10-L12 PolarHBondContact O-N 3.37Å; L10-L13 HydrophobicContact CD2-CD1 4.14Å; L10-L13 PolarHBondContact O-N 3.47Å; L10-M14 PolarHBondContact O-N 2.9Å; L10-M218 HydrophobicContact CB-CG 4.17Å; L10-M218 HydrophobicContact CD1-CG 3.66Å; L10-A221 HydrophobicContact CD2-CB 3.72Å; L10-A222 HydrophobicContact CD1-CB 3.9Å; L10-A222 HydrophobicContact CD2-CB 4.23Å
11P87.4Confident79.4Confident3 Ų360.2 Ų60.22%0.01931%0.313CS..Hα-helixtrans-55.7-42.9174.6-30.440.4000112.7M14 W15 F152 H154 I160P11-M14 PolarHBondContact O-N 3.2Å; P11-W15 VanDerWaalsContact O-CD1 3.31Å; P11-F152 HydrophobicContact CB-CB 4.23Å; P11-F152 WeakPolarHBondContact CB-O 3.42Å; P11-F152 HydrophobicContact CG-CB 4.03Å; P11-H154 HydrophobicContact CG-CB 4.15Å; P11-I160 HydrophobicContact CG-CD1 4.36Å; P11-I160 HydrophobicContact CG-CG2 4.28Å
12L87.3Confident82Confident81 Ų8150.5 Ų50.542%0.42427%0.265SS..Hα-helixtrans-67.5-37.3178.6-173.665.8000112.2Q9 L10 M14 W15 E16 F19 S40Q9-L12 WeakPolarHBondContact O-CB 3.41Å; Q9-L12 PolarHBondContact O-N 2.9Å; L10-L12 VanDerWaalsContact C-N 3.27Å; L10-L12 PolarHBondContact O-N 3.37Å; L12-M14 PolarHBondContact O-N 3.32Å; L12-W15 WeakPolarHBondContact O-CB 3.4Å; L12-W15 PolarHBondContact O-N 3.42Å; L12-E16 PolarHBondContact O-N 2.97Å; L12-F19 HydrophobicContact CD1-CE2 3.99Å; L12-F19 HydrophobicContact CD1-CZ 4.48Å; L12-S40 VanDerWaalsContact CD1-O 3.3Å; L12-S40 WeakPolarHBondContact CD1-O 3.32Å
13L88.1Confident84.3Confident65 Ų6555.8 Ų55.834%0.3429%0.285SS..Hα-helixtrans-59.9-33.1175.9-68.7174.8000112.2Q9 L10 W15 E16Q9-L13 PolarHBondContact O-N 2.94Å; L10-L13 HydrophobicContact CD2-CD1 4.14Å; L10-L13 PolarHBondContact O-N 3.47Å; L13-W15 PolarHBondContact O-N 2.98Å; L13-E16 WeakPolarHBondContact CD2-OE1 3.36Å; L13-E16 PolarHBondContact O-N 2.77Å
14M91.3Very high86.2Confident26 Ų2659.1 Ų59.113%0.12829%0.294CS..Hα-helixtrans-67.4-22.7175.8-59.6-55.1109.800112.6L10 P11 L12 S148 P149 V150 A221L10-M14 PolarHBondContact O-N 2.9Å; P11-M14 PolarHBondContact O-N 3.2Å; L12-M14 PolarHBondContact O-N 3.32Å; M14-S148 PolarHBondContact O-OG 2.88Å; M14-P149 HydrophobicContact CG-CG 4.2Å; M14-P149 HydrophobicContact SD-CG 3.66Å; M14-V150 HydrophobicContact CB-CG1 4.37Å; M14-V150 WeakPolarHBondContact O-CG1 3.45Å; M14-A221 HydrophobicContact CE-CB 3.63Å
15W94.6Very high88.2Confident0 Ų058.5 Ų58.50%029%0.289CS..Hα-helixtrans-83.1-17.6176.5-7699.4000113.9P11 L12 L13 K17 V18 F19 M29 C33 A36 L37 V73 V150P11-W15 VanDerWaalsContact O-CD1 3.31Å; L12-W15 WeakPolarHBondContact O-CB 3.4Å; L12-W15 PolarHBondContact O-N 3.42Å; L13-W15 PolarHBondContact O-N 2.98Å; W15-K17 VanDerWaalsContact C-N 3.26Å; W15-K17 PolarHBondContact O-N 2.59Å; W15-V18 HydrophobicContact CE3-CB 3.98Å; W15-V18 HydrophobicContact CE3-CG1 4.16Å; W15-V18 HydrophobicContact CE3-CG2 4Å; W15-V18 HydrophobicContact CZ3-CB 4.4Å; W15-V18 HydrophobicContact CZ3-CG1 4.17Å; W15-V18 HydrophobicContact CZ3-CG2 4.26Å; W15-V18 WeakPolarHBondContact O-CA 3.32Å; W15-V18 WeakPolarHBondContact O-CB 3.39Å; W15-V18 PolarHBondContact O-N 2.75Å; W15-F19 HydrophobicContact CB-CD2 4.08Å; W15-F19 HydrophobicContact CB-CE1 4.3Å; W15-F19 HydrophobicContact CB-CE2 3.48Å; W15-F19 VanDerWaalsContact CB-CE2 3.48Å; W15-F19 HydrophobicContact CB-CZ 3.6Å; W15-F19 HydrophobicContact CE3-CE1 4.46Å; W15-F19 HydrophobicContact CG-CZ 4.22Å; W15-F19 WeakPolarHBondContact O-CD2 3.46Å; W15-F19 WeakPolarHBondContact O-CG 3.39Å; W15-F19 PolarHBondContact O-N 3.32Å; W15-M29 HydrophobicContact CH2-CE 3.43Å; W15-M29 VanDerWaalsContact CH2-CE 3.43Å; W15-M29 HydrophobicContact CZ2-CE 4.43Å; W15-M29 HydrophobicContact CZ3-CE 3.95Å; W15-C33 HydrophobicContact CH2-CB 4.45Å; W15-A36 HydrophobicContact CZ2-CB 4.42Å; W15-L37 HydrophobicContact CD2-CD1 3.88Å; W15-L37 HydrophobicContact CE3-CD1 4.03Å; W15-L37 HydrophobicContact CG-CD1 4.39Å; W15-L37 HydrophobicContact CH2-CB 3.84Å; W15-L37 HydrophobicContact CH2-CD1 4.44Å; W15-L37 HydrophobicContact CH2-CD2 4.49Å; W15-L37 HydrophobicContact CH2-CG 4.47Å; W15-L37 HydrophobicContact CZ2-CB 3.55Å; W15-L37 HydrophobicContact CZ2-CD1 4.25Å; W15-L37 HydrophobicContact CZ2-CG 4.4Å; W15-L37 HydrophobicContact CZ3-CB 4.47Å; W15-L37 HydrophobicContact CZ3-CD1 4.31Å; W15-L37 HydrophobicContact CZ3-CD2 4.46Å; W15-V73 HydrophobicContact CH2-CG1 4.06Å; W15-V73 HydrophobicContact CZ3-CG1 4.06Å; W15-V150 HydrophobicContact CD2-CB 4.08Å; W15-V150 HydrophobicContact CD2-CG1 3.65Å; W15-V150 HydrophobicContact CE3-CB 4.44Å; W15-V150 HydrophobicContact CE3-CG1 3.93Å; W15-V150 HydrophobicContact CG-CG1 4.02Å; W15-V150 HydrophobicContact CH2-CB 3.93Å; W15-V150 HydrophobicContact CH2-CG1 4.29Å; W15-V150 HydrophobicContact CH2-CG2 3.99Å; W15-V150 HydrophobicContact CZ2-CB 3.56Å; W15-V150 HydrophobicContact CZ2-CG1 4.09Å; W15-V150 HydrophobicContact CZ2-CG2 4.07Å; W15-V150 HydrophobicContact CZ3-CB 4.38Å; W15-V150 HydrophobicContact CZ3-CG1 4.25Å; W15-V150 HydrophobicContact CZ3-CG2 4.47Å
16E93.8Very high90Very high117 Ų11751.8 Ų51.855%0.54726%0.258SS..Hα-helixtrans-57.1-38.3-176.6-70-174.2155.900113.1L12 L13 V18 F19 A20L12-E16 PolarHBondContact O-N 2.97Å; L13-E16 WeakPolarHBondContact CD2-OE1 3.36Å; L13-E16 PolarHBondContact O-N 2.77Å; E16-V18 VanDerWaalsContact C-N 3.3Å; E16-V18 PolarHBondContact O-N 3.12Å; E16-F19 PolarHBondContact O-N 2.8Å; E16-A20 WeakPolarHBondContact O-CB 3.26Å; E16-A20 PolarHBondContact O-N 3.01Å
17K94Very high91.5Very high126 Ų12648.2 Ų48.255%0.54824%0.239SC..Hα-helixtrans-61.1-40.1175.5-67-175.5-178177.60112W15 F101W15-K17 VanDerWaalsContact C-N 3.26Å; W15-K17 PolarHBondContact O-N 2.59Å; K17-F101 HydrophobicContact CB-CE1 4.02Å; K17-F101 HydrophobicContact CB-CZ 4.48Å; K17-F101 VanDerWaalsContact O-CZ 3.26Å; K17-F101 WeakPolarHBondContact O-CZ 3.5Å
18V97.4Very high92.7Very high0 Ų048.1 Ų48.10%024%0.238CC..Hα-helixtrans-67.5-51.5176.9-1770000109.2W15 E16 A20 K21 V22 L46 V73 F101 V150W15-V18 HydrophobicContact CE3-CB 3.98Å; W15-V18 HydrophobicContact CE3-CG1 4.16Å; W15-V18 HydrophobicContact CE3-CG2 4Å; W15-V18 HydrophobicContact CZ3-CB 4.4Å; W15-V18 HydrophobicContact CZ3-CG1 4.17Å; W15-V18 HydrophobicContact CZ3-CG2 4.26Å; W15-V18 WeakPolarHBondContact O-CA 3.32Å; W15-V18 WeakPolarHBondContact O-CB 3.39Å; W15-V18 PolarHBondContact O-N 2.75Å; E16-V18 VanDerWaalsContact C-N 3.3Å; E16-V18 PolarHBondContact O-N 3.12Å; V18-A20 PolarHBondContact O-N 3.37Å; V18-K21 PolarHBondContact O-N 2.98Å; V18-V22 HydrophobicContact CG1-CG1 4.05Å; V18-V22 WeakPolarHBondContact O-CG1 3.47Å; V18-V22 PolarHBondContact O-N 3.28Å; V18-L46 HydrophobicContact CG1-CD2 4.41Å; V18-V73 HydrophobicContact CG1-CG2 3.85Å; V18-F101 HydrophobicContact CB-CD2 4.46Å; V18-F101 HydrophobicContact CB-CE2 4.39Å; V18-F101 HydrophobicContact CG1-CD2 4.3Å; V18-F101 HydrophobicContact CG1-CE2 4.43Å; V18-F101 HydrophobicContact CG2-CB 4.37Å; V18-F101 HydrophobicContact CG2-CD1 4Å; V18-F101 HydrophobicContact CG2-CD2 4.05Å; V18-F101 HydrophobicContact CG2-CE1 4.25Å; V18-F101 HydrophobicContact CG2-CE2 4.31Å; V18-F101 HydrophobicContact CG2-CG 3.88Å; V18-F101 HydrophobicContact CG2-CZ 4.39Å; V18-V150 HydrophobicContact CG2-CG1 4.19Å
19F97.5Very high94Very high35 Ų3546.9 Ų46.915%0.15423%0.23CC..Hα-helixtrans-55.8-37.5179.8-62-33.6000112.8L12 W15 E16 K21 V22 L37 A45 L46 A49L12-F19 HydrophobicContact CD1-CE2 3.99Å; L12-F19 HydrophobicContact CD1-CZ 4.48Å; W15-F19 HydrophobicContact CB-CD2 4.08Å; W15-F19 HydrophobicContact CB-CE1 4.3Å; W15-F19 HydrophobicContact CB-CE2 3.48Å; W15-F19 VanDerWaalsContact CB-CE2 3.48Å; W15-F19 HydrophobicContact CB-CZ 3.6Å; W15-F19 HydrophobicContact CE3-CE1 4.46Å; W15-F19 HydrophobicContact CG-CZ 4.22Å; W15-F19 WeakPolarHBondContact O-CD2 3.46Å; W15-F19 WeakPolarHBondContact O-CG 3.39Å; W15-F19 PolarHBondContact O-N 3.32Å; E16-F19 PolarHBondContact O-N 2.8Å; F19-K21 PolarHBondContact O-N 3.03Å; F19-K21 VanDerWaalsContact O-N 3.14Å; F19-V22 PolarHBondContact O-N 2.9Å; F19-L37 HydrophobicContact CE1-CD1 4.21Å; F19-L37 HydrophobicContact CZ-CD1 4.07Å; F19-A45 HydrophobicContact CE1-CB 3.93Å; F19-A45 HydrophobicContact CZ-CB 3.72Å; F19-L46 HydrophobicContact CD1-CD2 3.88Å; F19-L46 HydrophobicContact CE1-CD2 3.78Å; F19-L46 HydrophobicContact CE1-CG 4.26Å; F19-A49 HydrophobicContact CB-CB 3.91Å; F19-A49 HydrophobicContact CD1-CB 4.23Å; F19-A49 HydrophobicContact CG-CB 4.32Å
20A97.4Very high94.7Very high81 Ų8142.2 Ų42.267%0.66921%0.209SC*.THydrogen-bonded Turntrans-61.3-22.317600000113.8E16 V18E16-A20 WeakPolarHBondContact O-CB 3.26Å; E16-A20 PolarHBondContact O-N 3.01Å; V18-A20 PolarHBondContact O-N 3.37Å
21K98.1Very high95.2Very high50 Ų5045.7 Ų45.722%0.21723%0.228CC..THydrogen-bonded Turntrans-106-12.6-175.7-67.5-71.1-169.3167.90114.3V18 F19 K23 K69 V99 F101 E144 M146V18-K21 PolarHBondContact O-N 2.98Å; F19-K21 PolarHBondContact O-N 3.03Å; F19-K21 VanDerWaalsContact O-N 3.14Å; K21-K23 VanDerWaalsContact C-N 3.34Å; K21-K23 PolarHBondContact O-N 3.38Å; K21-K69 WeakPolarHBondContact O-CE 3.37Å; K21-K69 PolarHBondContact O-NZ 2.79Å; K21-V99 HydrophobicContact CB-CG1 4.42Å; K21-V99 HydrophobicContact CG-CG1 4.45Å; K21-F101 HydrophobicContact CB-CE2 3.86Å; K21-F101 HydrophobicContact CB-CZ 4.13Å; K21-F101 HydrophobicContact CG-CE2 4.03Å; K21-F101 HydrophobicContact CG-CZ 3.82Å; K21-E144 IonicContact NZ-OE1 3Å; K21-E144 PolarHBondContact NZ-OE1 3.13Å; K21-E144 IonicContact NZ-OE2 3.5Å; K21-E144 PolarHBondContact NZ-OE2 3.07Å; K21-M146 HydrophobicContact CD-CE 4.43Å; K21-M146 HydrophobicContact CG-CE 4.12Å
22V98.3Very high95.5Very high0 Ų049 Ų490%024%0.24CC..  trans-79.4-8.9-174.7-58.90000115.5V18 F19 K24 A25 V27 L46 A49 A51 V71V18-V22 HydrophobicContact CG1-CG1 4.05Å; V18-V22 WeakPolarHBondContact O-CG1 3.47Å; V18-V22 PolarHBondContact O-N 3.28Å; F19-V22 PolarHBondContact O-N 2.9Å; V22-K24 PolarHBondContact O-N 3.33Å; V22-K24 VanDerWaalsContact O-N 3.12Å; V22-A25 VanDerWaalsContact O-CB 3.27Å; V22-A25 WeakPolarHBondContact O-CB 3.38Å; V22-A25 PolarHBondContact O-N 2.71Å; V22-V27 HydrophobicContact CB-CG2 3.97Å; V22-V27 HydrophobicContact CG1-CG2 3.69Å; V22-L46 HydrophobicContact CG1-CD2 3.92Å; V22-A49 HydrophobicContact CG2-CB 3.55Å; V22-A51 HydrophobicContact CB-CB 4.1Å; V22-A51 HydrophobicContact CG2-CB 4.17Å; V22-A51 WeakPolarHBondContact O-CA 3.36Å; V22-V71 HydrophobicContact CG1-CB 4.39Å; V22-V71 HydrophobicContact CG1-CG1 4.26Å; V22-V71 HydrophobicContact CG1-CG2 4.27Å
23K98.1Very high95.8Very high140 Ų14045.2 Ų45.261%0.60922%0.22SC*.THydrogen-bonded Turntrans-52.8122.6180-174.2174.9-176.7174.70111.8K21 A25 G50 K69K21-K23 VanDerWaalsContact C-N 3.34Å; K21-K23 PolarHBondContact O-N 3.38Å; K23-A25 PolarHBondContact O-N 2.91Å; K23-G50 CarbonylContact C-O 3.6Å; K23-G50 WeakPolarHBondContact CA-O 3.49Å; K23-K69 PolarHBondContact O-NZ 3.23Å; K23-K69 VanDerWaalsContact O-NZ 3.12Å
24K97.3Very high96.1Very high131 Ų13143.8 Ų43.857%0.5722%0.217SC*.THydrogen-bonded Turntrans61.414.4-176-61.8179.4177.8-178.70115.4V22 G50V22-K24 PolarHBondContact O-N 3.33Å; V22-K24 VanDerWaalsContact O-N 3.12Å; K24-G50 PolarHBondContact N-O 2.91Å
25A98.3Very high96.3Very high0 Ų042.7 Ų42.70%021%0.212CC..PPolyproline II helixtrans-95.9155.8-178.800000112.4V22 K23 R52 K69 V71V22-A25 VanDerWaalsContact O-CB 3.27Å; V22-A25 WeakPolarHBondContact O-CB 3.38Å; V22-A25 PolarHBondContact O-N 2.71Å; K23-A25 PolarHBondContact O-N 2.91Å; A25-R52 PolarHBondContact O-N 2.97Å; A25-K69 CarbonylContact C-O 3.47Å; A25-K69 VanDerWaalsContact CA-O 3.28Å; A25-K69 WeakPolarHBondContact CA-O 3.33Å; A25-K69 HydrophobicContact CB-CB 4.28Å; A25-K69 HydrophobicContact CB-CD 3.92Å; A25-K69 HydrophobicContact CB-CG 3.76Å; A25-V71 HydrophobicContact CB-CB 4.44Å; A25-V71 HydrophobicContact CB-CG2 3.66Å
26V98.5Very high96.3Very high0 Ų042.7 Ų42.70%021%0.212CC..EExtended strand (participates in β ladder)trans-89129156.5-179.90000108F28 N53 K55 C63 E67 K69 A70 V71V26-F28 HydrophobicContact CB-CE2 4.24Å; V26-F28 HydrophobicContact CG1-CD2 4.43Å; V26-F28 HydrophobicContact CG1-CE2 3.83Å; V26-F28 HydrophobicContact CG1-CZ 3.9Å; V26-N53 HydrophobicContact CG1-CB 4.09Å; V26-N53 HydrophobicContact CG2-CB 4.12Å; V26-K55 HydrophobicContact CG1-CD 3.82Å; V26-K55 HydrophobicContact CG1-CG 4.06Å; V26-C63 WeakPolarHBondContact CB-SG 3.15Å; V26-C63 VanDerWaalsContact CG1-SG 3.57Å; V26-C63 VanDerWaalsContact CG2-SG 3.57Å; V26-E67 HydrophobicContact CG2-CB 3.94Å; V26-E67 VanDerWaalsContact CG2-CD 3.45Å; V26-E67 HydrophobicContact CG2-CG 4.02Å; V26-E67 WeakPolarHBondContact CG2-OE1 3.34Å; V26-K69 PolarHBondContact N-O 3.49Å; V26-A70 WeakPolarHBondContact O-CA 3.34Å; V26-V71 PolarHBondContact O-N 3.01Å
27V98.6Very high96.3Very high0 Ų037.4 Ų37.40%019%0.187CC..EExtended strand (participates in β ladder)trans-101.1125.8-177-170.60000109.1V22 M29 L46 A51 N53 V54 K55 V71 V73V22-V27 HydrophobicContact CB-CG2 3.97Å; V22-V27 HydrophobicContact CG1-CG2 3.69Å; V27-M29 HydrophobicContact CG1-CG 3.73Å; V27-M29 HydrophobicContact CG1-SD 3.94Å; V27-L46 HydrophobicContact CB-CD1 4.49Å; V27-L46 HydrophobicContact CG1-CD1 4.2Å; V27-A51 HydrophobicContact CG2-CB 3.8Å; V27-N53 PolarHBondContact N-O 2.96Å; V27-V54 CarbonylContact O-C 3.55Å; V27-V54 WeakPolarHBondContact O-CA 3.47Å; V27-K55 PolarHBondContact O-N 3.11Å; V27-V71 CarbonylContact C-O 3.56Å; V27-V71 VanDerWaalsContact CA-O 3.24Å; V27-V71 WeakPolarHBondContact CA-O 3.16Å; V27-V71 HydrophobicContact CG1-CB 4.47Å; V27-V71 HydrophobicContact CG2-CB 4.38Å; V27-V73 HydrophobicContact CG1-CG2 4.2Å
28F98.6Very high96.3Very high0 Ų033 Ų330%017%0.169CC..EExtended strand (participates in β ladder)trans-108.8127.8173.9-62.9-89.1000109.1V26 K55 F57 E61 C63 A70 V71 F72 V73 I89 F95V26-F28 HydrophobicContact CB-CE2 4.24Å; V26-F28 HydrophobicContact CG1-CD2 4.43Å; V26-F28 HydrophobicContact CG1-CE2 3.83Å; V26-F28 HydrophobicContact CG1-CZ 3.9Å; F28-K55 WeakPolarHBondContact CA-O 3.26Å; F28-K55 HydrophobicContact CD1-CB 3.71Å; F28-K55 HydrophobicContact CD1-CD 4.47Å; F28-K55 HydrophobicContact CE1-CB 3.75Å; F28-K55 HydrophobicContact CE1-CD 3.67Å; F28-K55 HydrophobicContact CE1-CG 4.34Å; F28-K55 HydrophobicContact CZ-CD 4.06Å; F28-F57 HydrophobicContact CB-CD2 4.29Å; F28-E61 HydrophobicContact CD1-CB 4.44Å; F28-E61 HydrophobicContact CE1-CB 3.93Å; F28-C63 WeakPolarHBondContact CZ-SG 2.73Å; F28-A70 HydrophobicContact CD2-CB 4.42Å; F28-A70 HydrophobicContact CE2-CB 4.22Å; F28-V71 PolarHBondContact N-O 3.31Å; F28-F72 HydrophobicContact CB-CD1 3.72Å; F28-F72 HydrophobicContact CB-CE1 4.08Å; F28-F72 HydrophobicContact CD2-CD1 4.08Å; F28-F72 AromaticContact CD2-CE1 3.73Å; F28-F72 HydrophobicContact CD2-CE1 3.73Å; F28-F72 HydrophobicContact CD2-CZ 4.2Å; F28-F72 HydrophobicContact CE2-CE1 4.38Å; F28-F72 HydrophobicContact CG-CD1 4.15Å; F28-F72 HydrophobicContact CG-CE1 4Å; F28-F72 CarbonylContact O-C 3.57Å; F28-F72 WeakPolarHBondContact O-CA 3.35Å; F28-V73 PolarHBondContact O-N 3.36Å; F28-I89 HydrophobicContact CD1-CD1 3.95Å; F28-I89 HydrophobicContact CD1-CG2 4.25Å; F28-I89 HydrophobicContact CD2-CG2 4.31Å; F28-I89 HydrophobicContact CE1-CD1 4.33Å; F28-I89 HydrophobicContact CE1-CG2 3.74Å; F28-I89 HydrophobicContact CE2-CG2 3.82Å; F28-I89 HydrophobicContact CG-CD1 4.32Å; F28-I89 HydrophobicContact CG-CG2 4.5Å; F28-I89 HydrophobicContact CZ-CG2 3.49Å; F28-I89 VanDerWaalsContact CZ-CG2 3.49Å; F28-F95 AromaticContact CE2-CZ 3.91Å; F28-F95 HydrophobicContact CE2-CZ 3.91Å; F28-F95 HydrophobicContact CZ-CZ 4.27Å
29M96.5Very high96Very high7 Ų733.7 Ų33.73%0.03417%0.171CC..EExtended strand (participates in β ladder)trans-137140.4-175.6-55.8-173.645.100112.1W15 V27 C33 A34 L37 L46 K55 F57 V73W15-M29 HydrophobicContact CH2-CE 3.43Å; W15-M29 VanDerWaalsContact CH2-CE 3.43Å; W15-M29 HydrophobicContact CZ2-CE 4.43Å; W15-M29 HydrophobicContact CZ3-CE 3.95Å; V27-M29 HydrophobicContact CG1-CG 3.73Å; V27-M29 HydrophobicContact CG1-SD 3.94Å; M29-C33 HydrophobicContact CE-CB 3.88Å; M29-A34 HydrophobicContact CE-CB 4.49Å; M29-L37 HydrophobicContact CE-CB 4.19Å; M29-L37 HydrophobicContact CE-CD2 3.94Å; M29-L37 HydrophobicContact SD-CD2 3.97Å; M29-L46 HydrophobicContact SD-CD1 3.69Å; M29-K55 PolarHBondContact N-O 3.42Å; M29-F57 WeakPolarHBondContact O-CB 3.34Å; M29-F57 PolarHBondContact O-N 2.77Å; M29-V73 WeakPolarHBondContact CA-O 3.4Å; M29-V73 HydrophobicContact CE-CB 4.39Å; M29-V73 HydrophobicContact CG-CB 3.97Å; M29-V73 HydrophobicContact CG-CG2 4.19Å; M29-V73 HydrophobicContact SD-CG2 4.47Å
30D94.8Very high95.6Very high18 Ų1832.5 Ų32.510%0.09617%0.168CC..  trans-75.6160.8168.269.225.1000111.5R32 C33 A34 F57 V73 V74 S75D30-R32 VanDerWaalsContact C-N 3.26Å; D30-R32 PolarHBondContact O-N 3.27Å; D30-R32 PolarHBondContact OD1-N 3.42Å; D30-C33 PolarHBondContact O-N 3.08Å; D30-C33 VanDerWaalsContact OD1-CB 3.27Å; D30-C33 WeakPolarHBondContact OD1-CB 3.22Å; D30-C33 PolarHBondContact OD1-N 3.08Å; D30-C33 PolarHBondContact OD1-SG 2.8Å; D30-C33 VanDerWaalsContact OD1-SG 3.4Å; D30-A34 WeakPolarHBondContact O-CB 3.38Å; D30-A34 PolarHBondContact O-N 3.39Å; D30-F57 HydrophobicContact CB-CB 4.31Å; D30-F57 HydrophobicContact CB-CD1 4.23Å; D30-V73 PolarHBondContact N-O 3.43Å; D30-V74 WeakPolarHBondContact OD2-CA 3.44Å; D30-S75 VanDerWaalsContact CG-OG 3.31Å; D30-S75 PolarHBondContact OD1-OG 2.72Å; D30-S75 WeakPolarHBondContact OD2-CB 3.49Å; D30-S75 PolarHBondContact OD2-N 3.19Å; D30-S75 PolarHBondContact OD2-OG 3.46Å
31D93.7Very high95.1Very high80 Ų8029.5 Ų29.543%0.42815%0.145SC..Hα-helixtrans-60.4-36.5-173.6-63.8-13.1000112A34 E35D31-A34 PolarHBondContact O-N 3.45Å; D31-E35 PolarHBondContact O-N 3.04Å
32R92.9Very high94.8Very high73 Ų7327.5 Ų27.528%0.27514%0.138SC..Hα-helixtrans-65.2-46.3-179-64.5-178.1-175.2177.75.5111.7D30 A36 S75 P164 D687D30-R32 VanDerWaalsContact C-N 3.26Å; D30-R32 PolarHBondContact O-N 3.27Å; D30-R32 PolarHBondContact OD1-N 3.42Å; R32-A36 PolarHBondContact O-N 2.91Å; R32-S75 WeakPolarHBondContact CD-OG 3.45Å; R32-P164 HydrophobicContact CB-CB 4Å; R32-P164 HydrophobicContact CB-CG 4.11Å; R32-D687 PolarHBondContact NH1-O 2.96Å
33C94.6Very high94.5Very high0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-68.5-36.3173.6-73.80000111.7W15 M29 D30 A36 L37 V73W15-C33 HydrophobicContact CH2-CB 4.45Å; M29-C33 HydrophobicContact CE-CB 3.88Å; D30-C33 PolarHBondContact O-N 3.08Å; D30-C33 VanDerWaalsContact OD1-CB 3.27Å; D30-C33 WeakPolarHBondContact OD1-CB 3.22Å; D30-C33 PolarHBondContact OD1-N 3.08Å; D30-C33 PolarHBondContact OD1-SG 2.8Å; D30-C33 VanDerWaalsContact OD1-SG 3.4Å; C33-A36 PolarHBondContact O-N 3.07Å; C33-L37 PolarHBondContact O-N 3.21Å; C33-V73 HydrophobicContact CB-CG1 4.19Å
34A94.9Very high94.3Very high35 Ų3524.8 Ų24.829%0.28914%0.141SC..Hα-helixtrans-63.5-42.5178.100000111.7M29 D30 D31 L37 H38M29-A34 HydrophobicContact CE-CB 4.49Å; D30-A34 WeakPolarHBondContact O-CB 3.38Å; D30-A34 PolarHBondContact O-N 3.39Å; D31-A34 PolarHBondContact O-N 3.45Å; A34-L37 PolarHBondContact O-N 3.49Å; A34-H38 WeakPolarHBondContact O-CB 3.17Å; A34-H38 PolarHBondContact O-N 2.91Å
35E94.6Very high94.1Very high4 Ų419.4 Ų19.42%0.01912%0.121CC..Hα-helixtrans-63.7-41.8173.6174.9166.4-149.500111.8D31 L37 H38 W39 H295 V296 T297D31-E35 PolarHBondContact O-N 3.04Å; E35-L37 VanDerWaalsContact C-N 3.28Å; E35-L37 PolarHBondContact O-N 3.36Å; E35-H38 WeakPolarHBondContact O-CB 3.38Å; E35-H38 PolarHBondContact O-N 2.98Å; E35-W39 PolarHBondContact O-N 3.21Å; E35-H295 HydrophobicContact CG-CB 4.47Å; E35-V296 VanDerWaalsContact CD-N 3.34Å; E35-V296 PolarHBondContact OE1-N 3.36Å; E35-V296 WeakPolarHBondContact OE2-CG2 3.43Å; E35-V296 PolarHBondContact OE2-N 2.76Å; E35-V296 VanDerWaalsContact OE2-N 3.16Å; E35-T297 VanDerWaalsContact OE1-CB 3.27Å; E35-T297 WeakPolarHBondContact OE1-CB 3.38Å; E35-T297 PolarHBondContact OE1-N 3Å
36A94.1Very high94Very high0 Ų019.4 Ų19.40%012%0.121CC..Hα-helixtrans-61-39.2175.800000112W15 R32 C33 S40 V150W15-A36 HydrophobicContact CZ2-CB 4.42Å; R32-A36 PolarHBondContact O-N 2.91Å; C33-A36 PolarHBondContact O-N 3.07Å; A36-S40 WeakPolarHBondContact O-CB 3.16Å; A36-S40 PolarHBondContact O-N 2.94Å; A36-S40 PolarHBondContact O-OG 3.26Å; A36-V150 WeakPolarHBondContact CB-O 3.25Å
37L94.2Very high93.9Very high5 Ų523.6 Ų23.63%0.02614%0.143CC..Hα-helixtrans-69.4-39.1174.8-17861.9000112.3W15 F19 M29 C33 A34 E35 W39 S40 G41 G42 L46W15-L37 HydrophobicContact CD2-CD1 3.88Å; W15-L37 HydrophobicContact CE3-CD1 4.03Å; W15-L37 HydrophobicContact CG-CD1 4.39Å; W15-L37 HydrophobicContact CH2-CB 3.84Å; W15-L37 HydrophobicContact CH2-CD1 4.44Å; W15-L37 HydrophobicContact CH2-CD2 4.49Å; W15-L37 HydrophobicContact CH2-CG 4.47Å; W15-L37 HydrophobicContact CZ2-CB 3.55Å; W15-L37 HydrophobicContact CZ2-CD1 4.25Å; W15-L37 HydrophobicContact CZ2-CG 4.4Å; W15-L37 HydrophobicContact CZ3-CB 4.47Å; W15-L37 HydrophobicContact CZ3-CD1 4.31Å; W15-L37 HydrophobicContact CZ3-CD2 4.46Å; F19-L37 HydrophobicContact CE1-CD1 4.21Å; F19-L37 HydrophobicContact CZ-CD1 4.07Å; M29-L37 HydrophobicContact CE-CB 4.19Å; M29-L37 HydrophobicContact CE-CD2 3.94Å; M29-L37 HydrophobicContact SD-CD2 3.97Å; C33-L37 PolarHBondContact O-N 3.21Å; A34-L37 PolarHBondContact O-N 3.49Å; E35-L37 VanDerWaalsContact C-N 3.28Å; E35-L37 PolarHBondContact O-N 3.36Å; L37-W39 VanDerWaalsContact C-N 3.29Å; L37-W39 PolarHBondContact O-N 3.06Å; L37-S40 CarbonylContact O-C 3.6Å; L37-S40 VanDerWaalsContact O-CA 3.32Å; L37-S40 WeakPolarHBondContact O-CA 3.27Å; L37-S40 PolarHBondContact O-N 2.94Å; L37-G41 PolarHBondContact O-N 3.16Å; L37-G42 WeakPolarHBondContact O-CA 3.44Å; L37-G42 PolarHBondContact O-N 3.1Å; L37-L46 HydrophobicContact CD2-CD1 3.39Å; L37-L46 HydrophobicContact CD2-CD2 4.42Å; L37-L46 HydrophobicContact CD2-CG 3.74Å
38H93.9Very high93.8Very high33 Ų3331.4 Ų31.415%0.15318%0.18CC..Hα-helixtrans-50.4-49-180176.361.1000111.7A34 E35 S40 H295 D298 C323 A325 N327A34-H38 WeakPolarHBondContact O-CB 3.17Å; A34-H38 PolarHBondContact O-N 2.91Å; E35-H38 WeakPolarHBondContact O-CB 3.38Å; E35-H38 PolarHBondContact O-N 2.98Å; H38-S40 VanDerWaalsContact C-N 3.27Å; H38-S40 PolarHBondContact O-N 3.23Å; H38-H295 AromaticContact CD2-CD2 3.63Å; H38-H295 AromaticContact CD2-NE2 3.5Å; H38-H295 AromaticContact CG-NE2 3.47Å; H38-D298 IonicContact CD2-OD2 2.62Å; H38-D298 IonicContact CE1-OD2 3.85Å; H38-D298 IonicContact NE2-OD2 3.18Å; H38-D298 PolarHBondContact NE2-OD2 3.47Å; H38-C323 VanDerWaalsContact CE1-SG 3.57Å; H38-A325 WeakPolarHBondContact NE2-CB 3.39Å; H38-N327 PolarHBondContact O-ND2 3.11Å; H38-N327 VanDerWaalsContact O-ND2 3.12Å
39W92.4Very high93.7Very high15 Ų1533 Ų336%0.05719%0.193CC..THydrogen-bonded Turntrans-74.1-14.2174.9-67.399.7000114.3E35 L37 A153 V155 T297 D298 L324 A325 W336E35-W39 PolarHBondContact O-N 3.21Å; L37-W39 VanDerWaalsContact C-N 3.29Å; L37-W39 PolarHBondContact O-N 3.06Å; W39-A153 HydrophobicContact CB-CB 3.62Å; W39-A153 HydrophobicContact CG-CB 4.04Å; W39-V155 HydrophobicContact CD2-CG2 3.99Å; W39-V155 HydrophobicContact CE3-CB 4.28Å; W39-V155 HydrophobicContact CE3-CG1 4.24Å; W39-V155 HydrophobicContact CE3-CG2 4.14Å; W39-V155 HydrophobicContact CG-CG2 4.3Å; W39-V155 HydrophobicContact CH2-CG1 4.09Å; W39-V155 HydrophobicContact CZ3-CB 4.42Å; W39-V155 HydrophobicContact CZ3-CG1 3.88Å; W39-T297 HydrophobicContact CZ2-CG2 4.12Å; W39-D298 HydrophobicContact CZ2-CB 3.91Å; W39-L324 HydrophobicContact CH2-CB 4.35Å; W39-A325 HydrophobicContact CD2-CB 3.8Å; W39-A325 HydrophobicContact CE3-CB 3.62Å; W39-A325 HydrophobicContact CH2-CB 3.99Å; W39-A325 HydrophobicContact CZ2-CB 4.16Å; W39-A325 VanDerWaalsContact CZ3-CA 3.45Å; W39-A325 HydrophobicContact CZ3-CB 3.74Å; W39-W336 HydrophobicContact CH2-CZ2 4.01Å; W39-W336 HydrophobicContact CZ3-CZ2 4.34Å; W39-W336 AromaticContact CZ3-NE1 3.91Å
40S88.8Confident93.8Very high11 Ų1134 Ų348%0.07721%0.206CC..THydrogen-bonded Turntrans-111.928.9-176-51.20000113.5L12 A36 L37 H38L12-S40 VanDerWaalsContact CD1-O 3.3Å; L12-S40 WeakPolarHBondContact CD1-O 3.32Å; A36-S40 WeakPolarHBondContact O-CB 3.16Å; A36-S40 PolarHBondContact O-N 2.94Å; A36-S40 PolarHBondContact O-OG 3.26Å; L37-S40 CarbonylContact O-C 3.6Å; L37-S40 VanDerWaalsContact O-CA 3.32Å; L37-S40 WeakPolarHBondContact O-CA 3.27Å; L37-S40 PolarHBondContact O-N 2.94Å; H38-S40 VanDerWaalsContact C-N 3.27Å; H38-S40 PolarHBondContact O-N 3.23Å
41G87.3Confident93.9Very high18 Ų1833.6 Ų33.619%0.18621%0.205CC..THydrogen-bonded Turntrans115.2-13.3176.500000115L37 N327L37-G41 PolarHBondContact O-N 3.16Å; G41-N327 VanDerWaalsContact CA-ND2 3.27Å; G41-N327 WeakPolarHBondContact CA-ND2 3.26Å; G41-N327 PolarHBondContact N-ND2 3.49Å
42G91.1Very high94.1Very high7 Ų735.6 Ų35.67%0.07221%0.206CC..Hα-helixtrans63.7-168.517600000114.1L37 A44 A45L37-G42 WeakPolarHBondContact O-CA 3.44Å; L37-G42 PolarHBondContact O-N 3.1Å; G42-A44 PolarHBondContact O-N 3.37Å; G42-A44 VanDerWaalsContact O-N 3.14Å; G42-A45 WeakPolarHBondContact O-CB 3.28Å; G42-A45 PolarHBondContact O-N 2.68Å
43A92.4Very high94.2Very high52 Ų5235.2 Ų35.243%0.4321%0.209SC..Hα-helixtrans-57.8-28.8179.700000113.1A45 L46 L47A43-A45 PolarHBondContact O-N 2.89Å; A43-L46 PolarHBondContact O-N 2.96Å; A43-L46 VanDerWaalsContact O-N 3.16Å; A43-L47 WeakPolarHBondContact O-CG 3.38Å; A43-L47 PolarHBondContact O-N 3.21Å; A43-L47 VanDerWaalsContact O-N 3.1Å
44A92.1Very high94.3Very high31 Ų3137.5 Ų37.526%0.25622%0.223SC..Hα-helixtrans-56.9-37.7176.200000112.4G42 L46 L47 Q48G42-A44 PolarHBondContact O-N 3.37Å; G42-A44 VanDerWaalsContact O-N 3.14Å; A44-L46 PolarHBondContact O-N 2.88Å; A44-L47 PolarHBondContact O-N 3.45Å; A44-Q48 WeakPolarHBondContact O-CB 3.34Å; A44-Q48 VanDerWaalsContact O-CG 3.22Å; A44-Q48 WeakPolarHBondContact O-CG 3.35Å; A44-Q48 PolarHBondContact O-N 3.26Å
45A93.7Very high94.4Very high18 Ų1838 Ų3815%0.14922%0.219CC..Hα-helixtrans-63.9-40.6177.900000112.3F19 G42 A43 A49F19-A45 HydrophobicContact CE1-CB 3.93Å; F19-A45 HydrophobicContact CZ-CB 3.72Å; G42-A45 WeakPolarHBondContact O-CB 3.28Å; G42-A45 PolarHBondContact O-N 2.68Å; A43-A45 PolarHBondContact O-N 2.89Å; A45-A49 WeakPolarHBondContact O-CB 3.36Å; A45-A49 PolarHBondContact O-N 2.94Å
46L96.6Very high94.4Very high0 Ų043.1 Ų43.10%024%0.243CC..Hα-helixtrans-65-44.8175.6-66.2170000111.6V18 F19 V22 V27 M29 L37 A43 A44 A49 G50 A51 V54V18-L46 HydrophobicContact CG1-CD2 4.41Å; F19-L46 HydrophobicContact CD1-CD2 3.88Å; F19-L46 HydrophobicContact CE1-CD2 3.78Å; F19-L46 HydrophobicContact CE1-CG 4.26Å; V22-L46 HydrophobicContact CG1-CD2 3.92Å; V27-L46 HydrophobicContact CB-CD1 4.49Å; V27-L46 HydrophobicContact CG1-CD1 4.2Å; M29-L46 HydrophobicContact SD-CD1 3.69Å; L37-L46 HydrophobicContact CD2-CD1 3.39Å; L37-L46 HydrophobicContact CD2-CD2 4.42Å; L37-L46 HydrophobicContact CD2-CG 3.74Å; A43-L46 PolarHBondContact O-N 2.96Å; A43-L46 VanDerWaalsContact O-N 3.16Å; A44-L46 PolarHBondContact O-N 2.88Å; L46-A49 CarbonylContact O-C 3.57Å; L46-A49 PolarHBondContact O-N 2.8Å; L46-G50 PolarHBondContact O-N 2.94Å; L46-A51 HydrophobicContact CB-CB 4.06Å; L46-A51 WeakPolarHBondContact O-CB 3.25Å; L46-A51 PolarHBondContact O-N 3.34Å; L46-V54 HydrophobicContact CB-CG2 4.21Å; L46-V54 HydrophobicContact CD1-CG1 4.2Å; L46-V54 HydrophobicContact CD1-CG2 3.82Å
47L96.6Very high94.5Very high89 Ų8944.1 Ų44.147%0.46625%0.247SC..Hα-helixtrans-63.6-42.2179.2-65.5173.6000111.4A43 A44 A49 G50A43-L47 WeakPolarHBondContact O-CG 3.38Å; A43-L47 PolarHBondContact O-N 3.21Å; A43-L47 VanDerWaalsContact O-N 3.1Å; A44-L47 PolarHBondContact O-N 3.45Å; L47-A49 VanDerWaalsContact C-N 3.33Å; L47-A49 PolarHBondContact O-N 3.48Å; L47-G50 WeakPolarHBondContact O-CA 3.34Å; L47-G50 PolarHBondContact O-N 3.12Å
48Q95.8Very high94.7Very high164 Ų16445 Ų4577%0.76625%0.254SS*.Hα-helixtrans-64.6-35.4174.6-72.3171.79.600112.4A44 G50A44-Q48 WeakPolarHBondContact O-CB 3.34Å; A44-Q48 VanDerWaalsContact O-CG 3.22Å; A44-Q48 WeakPolarHBondContact O-CG 3.35Å; A44-Q48 PolarHBondContact O-N 3.26Å; Q48-G50 PolarHBondContact O-N 2.48Å
49A97.1Very high94.8Very high33 Ų3345 Ų4527%0.27326%0.258SS..THydrogen-bonded Turntrans-70.5-4.3171.500000113.4F19 V22 A45 L46 L47F19-A49 HydrophobicContact CB-CB 3.91Å; F19-A49 HydrophobicContact CD1-CB 4.23Å; F19-A49 HydrophobicContact CG-CB 4.32Å; V22-A49 HydrophobicContact CG2-CB 3.55Å; A45-A49 WeakPolarHBondContact O-CB 3.36Å; A45-A49 PolarHBondContact O-N 2.94Å; L46-A49 CarbonylContact O-C 3.57Å; L46-A49 PolarHBondContact O-N 2.8Å; L47-A49 VanDerWaalsContact C-N 3.33Å; L47-A49 PolarHBondContact O-N 3.48Å
50G97.8Very high95Very high29 Ų2953.7 Ų53.730%0.29930%0.296SS..THydrogen-bonded Turntrans9915.2172.700000114.6K23 K24 L46 L47 Q48K23-G50 CarbonylContact C-O 3.6Å; K23-G50 WeakPolarHBondContact CA-O 3.49Å; K24-G50 PolarHBondContact N-O 2.91Å; L46-G50 PolarHBondContact O-N 2.94Å; L47-G50 WeakPolarHBondContact O-CA 3.34Å; L47-G50 PolarHBondContact O-N 3.12Å; Q48-G50 PolarHBondContact O-N 2.48Å
51A98.1Very high95.3Very high9 Ų955.9 Ų55.97%0.07431%0.305CS..  trans-57.5141.1165.600000110V22 V27 L46V22-A51 HydrophobicContact CB-CB 4.1Å; V22-A51 HydrophobicContact CG2-CB 4.17Å; V22-A51 WeakPolarHBondContact O-CA 3.36Å; V27-A51 HydrophobicContact CG2-CB 3.8Å; L46-A51 HydrophobicContact CB-CB 4.06Å; L46-A51 WeakPolarHBondContact O-CB 3.25Å; L46-A51 PolarHBondContact O-N 3.34Å
52R96.6Very high95.7Very high122 Ų12256.6 Ų56.646%0.4631%0.309SS..SBendtrans-82.7-37.3175.5-75.2-175.7170.4-166.43.8112.3A25 N66A25-R52 PolarHBondContact O-N 2.97Å; R52-N66 PolarHBondContact NH1-O 3.09Å
53N96Very high95.8Very high65 Ų6556.8 Ų56.835%0.34831%0.309SS..EExtended strand (participates in β ladder)trans-156.2157.7-176.1-159.8-0.6000109.7V26 V27V26-N53 HydrophobicContact CG1-CB 4.09Å; V26-N53 HydrophobicContact CG2-CB 4.12Å; V27-N53 PolarHBondContact N-O 2.96Å
54V96.2Very high95.7Very high48 Ų4856.1 Ų56.129%0.29131%0.307SS..EExtended strand (participates in β ladder)trans-127.8126.2174.1-174.10000107.2V27 L46V27-V54 CarbonylContact O-C 3.55Å; V27-V54 WeakPolarHBondContact O-CA 3.47Å; L46-V54 HydrophobicContact CB-CG2 4.21Å; L46-V54 HydrophobicContact CD1-CG1 4.2Å; L46-V54 HydrophobicContact CD1-CG2 3.82Å
55K96.6Very high95.5Very high45 Ų4562 Ų6220%0.19633%0.329CS..EExtended strand (participates in β ladder)trans-128.6154.2-174.2-70.7-175.6162.8-1330110.8V26 V27 F28 M29 E61 A62V26-K55 HydrophobicContact CG1-CD 3.82Å; V26-K55 HydrophobicContact CG1-CG 4.06Å; V27-K55 PolarHBondContact O-N 3.11Å; F28-K55 WeakPolarHBondContact CA-O 3.26Å; F28-K55 HydrophobicContact CD1-CB 3.71Å; F28-K55 HydrophobicContact CD1-CD 4.47Å; F28-K55 HydrophobicContact CE1-CB 3.75Å; F28-K55 HydrophobicContact CE1-CD 3.67Å; F28-K55 HydrophobicContact CE1-CG 4.34Å; F28-K55 HydrophobicContact CZ-CD 4.06Å; M29-K55 PolarHBondContact N-O 3.42Å; K55-E61 WeakPolarHBondContact CD-OE2 3.48Å; K55-E61 IonicContact NZ-OE2 3.93Å; K55-E61 PolarHBondContact NZ-OE2 3.12Å; K55-A62 PolarHBondContact NZ-O 3.26Å
56Q95.2Very high95.4Very high111 Ų11167.7 Ų67.752%0.51936%0.358SS..EExtended strand (participates in β ladder)trans-62.8142.7171.7-170.817913.900110S58Q56-S58 PolarHBondContact O-N 3.43Å; Q56-S58 VanDerWaalsContact O-N 3.14Å
57F96.9Very high95.3Very high22 Ų2269.6 Ų69.610%0.09637%0.367CS..  trans-76.395.9170.4-176.1-108.7000110.6F28 M29 D30 F72 V74 T82 I85 I86 I89F28-F57 HydrophobicContact CB-CD2 4.29Å; M29-F57 WeakPolarHBondContact O-CB 3.34Å; M29-F57 PolarHBondContact O-N 2.77Å; D30-F57 HydrophobicContact CB-CB 4.31Å; D30-F57 HydrophobicContact CB-CD1 4.23Å; F57-F72 HydrophobicContact CD2-CD1 4.26Å; F57-F72 HydrophobicContact CE2-CD1 4.05Å; F57-V74 HydrophobicContact CD1-CG1 4.43Å; F57-V74 HydrophobicContact CD2-CG1 4.13Å; F57-V74 HydrophobicContact CE1-CG1 4.07Å; F57-V74 HydrophobicContact CE2-CG1 3.75Å; F57-V74 HydrophobicContact CG-CG1 4.44Å; F57-V74 HydrophobicContact CZ-CG1 3.71Å; F57-T82 HydrophobicContact CE1-CG2 4.21Å; F57-T82 HydrophobicContact CZ-CG2 3.92Å; F57-I85 HydrophobicContact CD1-CB 4.46Å; F57-I85 HydrophobicContact CD1-CD1 4.08Å; F57-I85 HydrophobicContact CD1-CG2 3.86Å; F57-I85 HydrophobicContact CD2-CG2 3.87Å; F57-I85 HydrophobicContact CE1-CB 3.8Å; F57-I85 HydrophobicContact CE1-CD1 3.73Å; F57-I85 HydrophobicContact CE1-CG1 4.37Å; F57-I85 HydrophobicContact CE1-CG2 3.63Å; F57-I85 HydrophobicContact CE2-CB 4.27Å; F57-I85 HydrophobicContact CE2-CG2 3.63Å; F57-I85 HydrophobicContact CG-CG2 3.98Å; F57-I85 HydrophobicContact CZ-CB 3.69Å; F57-I85 HydrophobicContact CZ-CD1 4.49Å; F57-I85 HydrophobicContact CZ-CG2 3.51Å; F57-I86 HydrophobicContact CE2-CD1 4.37Å; F57-I86 HydrophobicContact CE2-CG1 3.53Å; F57-I86 HydrophobicContact CZ-CD1 4.36Å; F57-I86 HydrophobicContact CZ-CG1 3.73Å; F57-I89 HydrophobicContact CD2-CD1 4.25Å; F57-I89 HydrophobicContact CE2-CD1 4.49Å
58S96.6Very high95.3Very high23 Ų2367.7 Ų67.716%0.16136%0.359CS..  trans-151.9141.1-173.2175.30000111.4Q56 F60 E61 I89Q56-S58 PolarHBondContact O-N 3.43Å; Q56-S58 VanDerWaalsContact O-N 3.14Å; S58-F60 PolarHBondContact O-N 2.73Å; S58-F60 WeakPolarHBondContact OG-CD2 3.39Å; S58-F60 PolarHBondContact OG-N 3.04Å; S58-E61 PolarHBondContact O-N 2.93Å; S58-I89 WeakPolarHBondContact O-CD1 3.37Å; S58-I89 VanDerWaalsContact O-CG1 3.28Å; S58-I89 WeakPolarHBondContact O-CG1 3.31Å
59S96.9Very high95.4Very high34 Ų3461.2 Ų61.224%0.23833%0.329CS..THydrogen-bonded Turntrans-60.9-13.6174.9-65.50000113.7D88S59-D88 WeakPolarHBondContact CB-OD2 3.45Å; S59-D88 PolarHBondContact OG-OD2 2.69Å
60F96.1Very high95.5Very high196 Ų19659.7 Ų59.786%0.8632%0.316SS*.THydrogen-bonded Turntrans-90.7-0.4178-57.7-72.1000113.6S58S58-F60 PolarHBondContact O-N 2.73Å; S58-F60 WeakPolarHBondContact OG-CD2 3.39Å; S58-F60 PolarHBondContact OG-N 3.04Å
61E96.5Very high95.6Very high58 Ų5858.3 Ų58.327%0.27130%0.302SS..  trans-99.5149.8178.1-75.1-72.5173.700112.1F28 K55 S58F28-E61 HydrophobicContact CD1-CB 4.44Å; F28-E61 HydrophobicContact CE1-CB 3.93Å; K55-E61 WeakPolarHBondContact CD-OE2 3.48Å; K55-E61 IonicContact NZ-OE2 3.93Å; K55-E61 PolarHBondContact NZ-OE2 3.12Å; S58-E61 PolarHBondContact O-N 2.93Å
62A94.8Very high95.6Very high32 Ų3257.9 Ų57.926%0.26430%0.298SS..  trans-154.8167.217800000111.1K55 L92K55-A62 PolarHBondContact NZ-O 3.26Å; A62-L92 HydrophobicContact CB-CB 3.78Å
63C93.8Very high95.7Very high11 Ų1152 Ų527%0.07428%0.276CS..  trans-110155.5177.8-750000112.8V26 F28 E67 S93 F95V26-C63 WeakPolarHBondContact CB-SG 3.15Å; V26-C63 VanDerWaalsContact CG1-SG 3.57Å; V26-C63 VanDerWaalsContact CG2-SG 3.57Å; F28-C63 WeakPolarHBondContact CZ-SG 2.73Å; C63-E67 HydrophobicContact CB-CB 4.05Å; C63-S93 PolarHBondContact N-OG 2.94Å; C63-F95 HydrophobicContact CB-CE1 3.45Å; C63-F95 VanDerWaalsContact CB-CE1 3.45Å; C63-F95 HydrophobicContact CB-CZ 3.62Å; C63-F95 VanDerWaalsContact SG-CE1 3.53Å; C63-F95 WeakPolarHBondContact SG-CZ 3.45Å
64G89.6Confident95.7Very high38 Ų3849 Ų4939%0.39226%0.259SS..  trans-76.3163.9173.700000112.8N66 E67G64-N66 PolarHBondContact O-N 3.29Å; G64-E67 PolarHBondContact N-OE2 3.29Å; G64-E67 PolarHBondContact O-N 3.49Å
65E88.4Confident95.6Very high154 Ų15447.4 Ų47.472%0.7225%0.251SS*.THydrogen-bonded Turntrans-55.4-29.1180-66.8-177.1170.900114.1E67E65-E67 VanDerWaalsContact C-N 3.26Å; E65-E67 PolarHBondContact O-N 3.02Å
66N92Very high95.5Very high139 Ų13946.1 Ų46.174%0.74325%0.247SC*.THydrogen-bonded Turntrans-82.62.8-179-70.6-44.6000114R52 G64 P68R52-N66 PolarHBondContact NH1-O 3.09Å; G64-N66 PolarHBondContact O-N 3.29Å; N66-P68 VanDerWaalsContact C-CD 3.4Å; N66-P68 WeakPolarHBondContact O-CD 3.47Å
67E94.6Very high95.5Very high40 Ų4040.9 Ų40.919%0.18722%0.222CC..  trans-116.868.3-174.8-63.6177.6132.700111.1V26 C63 G64 E65 K69 F95V26-E67 HydrophobicContact CG2-CB 3.94Å; V26-E67 VanDerWaalsContact CG2-CD 3.45Å; V26-E67 HydrophobicContact CG2-CG 4.02Å; V26-E67 WeakPolarHBondContact CG2-OE1 3.34Å; C63-E67 HydrophobicContact CB-CB 4.05Å; G64-E67 PolarHBondContact N-OE2 3.29Å; G64-E67 PolarHBondContact O-N 3.49Å; E65-E67 VanDerWaalsContact C-N 3.26Å; E65-E67 PolarHBondContact O-N 3.02Å; E67-K69 PolarHBondContact O-N 3.35Å; E67-F95 WeakPolarHBondContact O-CD1 3.48Å; E67-F95 WeakPolarHBondContact O-CE1 3.22Å
68P96.3Very high95.5Very high48 Ų4840.5 Ų40.531%0.31222%0.221SC..  trans-76.65-169.733.8-39.3000114N66 F95 Q96 Y97N66-P68 VanDerWaalsContact C-CD 3.4Å; N66-P68 WeakPolarHBondContact O-CD 3.47Å; P68-F95 WeakPolarHBondContact O-CA 3.32Å; P68-Q96 HydrophobicContact CB-CB 4.36Å; P68-Q96 HydrophobicContact CB-CG 4.19Å; P68-Q96 PolarHBondContact O-N 2.99Å; P68-Y97 PolarHBondContact O-N 3.21Å; P68-Y97 VanDerWaalsContact O-N 3.13Å
69K98.4Very high95.4Very high29 Ų2943.1 Ų43.113%0.12623%0.23CC..EExtended strand (participates in β ladder)trans-129.3128.5-175.5-175.5179.7175.3-174.50111.5K21 K23 A25 V26 E67 Y97K21-K69 WeakPolarHBondContact O-CE 3.37Å; K21-K69 PolarHBondContact O-NZ 2.79Å; K23-K69 PolarHBondContact O-NZ 3.23Å; K23-K69 VanDerWaalsContact O-NZ 3.12Å; A25-K69 CarbonylContact C-O 3.47Å; A25-K69 VanDerWaalsContact CA-O 3.28Å; A25-K69 WeakPolarHBondContact CA-O 3.33Å; A25-K69 HydrophobicContact CB-CB 4.28Å; A25-K69 HydrophobicContact CB-CD 3.92Å; A25-K69 HydrophobicContact CB-CG 3.76Å; V26-K69 PolarHBondContact N-O 3.49Å; E67-K69 PolarHBondContact O-N 3.35Å; K69-Y97 CarbonylContact C-O 3.59Å; K69-Y97 VanDerWaalsContact CA-O 3.25Å; K69-Y97 WeakPolarHBondContact CA-O 3.26Å; K69-Y97 HydrophobicContact CD-CD1 3.82Å; K69-Y97 HydrophobicContact CD-CE1 4.24Å; K69-Y97 HydrophobicContact CD-CG 4.35Å; K69-Y97 HydrophobicContact CG-CD1 4.11Å; K69-Y97 HydrophobicContact CG-CG 4.14Å
70A98.6Very high95.3Very high0 Ų042.6 Ų42.60%023%0.23CC..EExtended strand (participates in β ladder)trans-117144.2174.100000111.5V26 F28 F72 F95 Y97 V99V26-A70 WeakPolarHBondContact O-CA 3.34Å; F28-A70 HydrophobicContact CD2-CB 4.42Å; F28-A70 HydrophobicContact CE2-CB 4.22Å; A70-F72 HydrophobicContact CB-CD2 4.35Å; A70-F72 HydrophobicContact CB-CE2 3.63Å; A70-F72 HydrophobicContact CB-CZ 3.94Å; A70-F95 HydrophobicContact CB-CD1 3.93Å; A70-F95 HydrophobicContact CB-CD2 3.98Å; A70-F95 HydrophobicContact CB-CE1 3.75Å; A70-F95 HydrophobicContact CB-CE2 3.78Å; A70-F95 HydrophobicContact CB-CG 4.05Å; A70-F95 HydrophobicContact CB-CZ 3.68Å; A70-Y97 PolarHBondContact N-O 3.19Å; A70-V99 PolarHBondContact O-N 2.88Å
71V98.8Very high95.2Very high0 Ų039.6 Ų39.60%021%0.212CC..EExtended strand (participates in β ladder)trans-122.7119.9164.6178.30000108.1V22 A25 V26 V27 F28 V73 V99 F101V22-V71 HydrophobicContact CG1-CB 4.39Å; V22-V71 HydrophobicContact CG1-CG1 4.26Å; V22-V71 HydrophobicContact CG1-CG2 4.27Å; A25-V71 HydrophobicContact CB-CB 4.44Å; A25-V71 HydrophobicContact CB-CG2 3.66Å; V26-V71 PolarHBondContact O-N 3.01Å; V27-V71 CarbonylContact C-O 3.56Å; V27-V71 VanDerWaalsContact CA-O 3.24Å; V27-V71 WeakPolarHBondContact CA-O 3.16Å; V27-V71 HydrophobicContact CG1-CB 4.47Å; V27-V71 HydrophobicContact CG2-CB 4.38Å; F28-V71 PolarHBondContact N-O 3.31Å; V71-V73 HydrophobicContact CG1-CG2 4.16Å; V71-V99 CarbonylContact C-O 3.58Å; V71-V99 VanDerWaalsContact CA-O 3.3Å; V71-V99 WeakPolarHBondContact CA-O 3.27Å; V71-V99 HydrophobicContact CG2-CB 4.18Å; V71-F101 HydrophobicContact CG1-CD2 3.89Å; V71-F101 HydrophobicContact CG1-CE2 4.18Å
72F98.8Very high95.2Very high0 Ų037.1 Ų37.10%020%0.201CC..EExtended strand (participates in β ladder)trans-98.2134.6173.1-57-90.3000108.8F28 F57 A70 I86 I89 I90 F95 C98 V99 V100 F101F28-F72 HydrophobicContact CB-CD1 3.72Å; F28-F72 HydrophobicContact CB-CE1 4.08Å; F28-F72 HydrophobicContact CD2-CD1 4.08Å; F28-F72 AromaticContact CD2-CE1 3.73Å; F28-F72 HydrophobicContact CD2-CE1 3.73Å; F28-F72 HydrophobicContact CD2-CZ 4.2Å; F28-F72 HydrophobicContact CE2-CE1 4.38Å; F28-F72 HydrophobicContact CG-CD1 4.15Å; F28-F72 HydrophobicContact CG-CE1 4Å; F28-F72 CarbonylContact O-C 3.57Å; F28-F72 WeakPolarHBondContact O-CA 3.35Å; F57-F72 HydrophobicContact CD2-CD1 4.26Å; F57-F72 HydrophobicContact CE2-CD1 4.05Å; A70-F72 HydrophobicContact CB-CD2 4.35Å; A70-F72 HydrophobicContact CB-CE2 3.63Å; A70-F72 HydrophobicContact CB-CZ 3.94Å; F72-I86 HydrophobicContact CD1-CG1 4.04Å; F72-I86 HydrophobicContact CE1-CG1 4.44Å; F72-I86 HydrophobicContact CE1-CG2 4.49Å; F72-I86 HydrophobicContact CE2-CG2 4.4Å; F72-I86 HydrophobicContact CG-CG1 4.31Å; F72-I86 HydrophobicContact CZ-CG2 4.35Å; F72-I89 HydrophobicContact CE1-CB 4.17Å; F72-I89 HydrophobicContact CE1-CD1 3.99Å; F72-I89 HydrophobicContact CE1-CG2 3.92Å; F72-I89 HydrophobicContact CZ-CG2 4.11Å; F72-I90 HydrophobicContact CE2-CD1 4.24Å; F72-I90 HydrophobicContact CE2-CG1 4.23Å; F72-I90 HydrophobicContact CZ-CD1 4.29Å; F72-I90 HydrophobicContact CZ-CG1 3.91Å; F72-F95 HydrophobicContact CZ-CE2 4.42Å; F72-C98 HydrophobicContact CE2-CB 4.42Å; F72-V99 PolarHBondContact N-O 2.9Å; F72-V100 HydrophobicContact CB-CG1 4.38Å; F72-V100 HydrophobicContact CB-CG2 4.17Å; F72-V100 HydrophobicContact CD2-CG2 3.88Å; F72-V100 HydrophobicContact CG-CG2 4.36Å; F72-F101 PolarHBondContact O-N 2.91Å
73V98.3Very high95.4Very high0 Ų036.6 Ų36.60%020%0.195CC..EExtended strand (participates in β ladder)trans-126.5109.9173.6-168.70000108.3W15 V18 V27 F28 M29 D30 C33 V71 F101 V150W15-V73 HydrophobicContact CH2-CG1 4.06Å; W15-V73 HydrophobicContact CZ3-CG1 4.06Å; V18-V73 HydrophobicContact CG1-CG2 3.85Å; V27-V73 HydrophobicContact CG1-CG2 4.2Å; F28-V73 PolarHBondContact O-N 3.36Å; M29-V73 WeakPolarHBondContact CA-O 3.4Å; M29-V73 HydrophobicContact CE-CB 4.39Å; M29-V73 HydrophobicContact CG-CB 3.97Å; M29-V73 HydrophobicContact CG-CG2 4.19Å; M29-V73 HydrophobicContact SD-CG2 4.47Å; D30-V73 PolarHBondContact N-O 3.43Å; C33-V73 HydrophobicContact CB-CG1 4.19Å; V71-V73 HydrophobicContact CG1-CG2 4.16Å; V73-F101 WeakPolarHBondContact CA-O 3.43Å; V73-F101 HydrophobicContact CG1-CB 4.32Å; V73-F101 HydrophobicContact CG2-CB 4.42Å; V73-V150 HydrophobicContact CG1-CG2 3.83Å
74V97Very high95.6Very high0 Ų040.5 Ų40.50%022%0.215CC..EExtended strand (participates in β ladder)trans-127.4146-170.9-61.20000111.8D30 F57 L78 T82 F101 T102 A103D30-V74 WeakPolarHBondContact OD2-CA 3.44Å; F57-V74 HydrophobicContact CD1-CG1 4.43Å; F57-V74 HydrophobicContact CD2-CG1 4.13Å; F57-V74 HydrophobicContact CE1-CG1 4.07Å; F57-V74 HydrophobicContact CE2-CG1 3.75Å; F57-V74 HydrophobicContact CG-CG1 4.44Å; F57-V74 HydrophobicContact CZ-CG1 3.71Å; V74-L78 HydrophobicContact CG2-CD2 3.8Å; V74-T82 HydrophobicContact CB-CG2 4.11Å; V74-T82 HydrophobicContact CG1-CG2 4.07Å; V74-T82 HydrophobicContact CG2-CG2 4.06Å; V74-F101 PolarHBondContact N-O 2.81Å; V74-T102 CarbonylContact O-C 3.6Å; V74-T102 WeakPolarHBondContact O-CA 3.24Å; V74-A103 PolarHBondContact O-N 2.87Å
75S94.4Very high96Very high15 Ų1539.8 Ų39.811%0.10520%0.202CC..SBendtrans-99.1-8.1-175.863.50000114D30 R32 V104D30-S75 VanDerWaalsContact CG-OG 3.31Å; D30-S75 PolarHBondContact OD1-OG 2.72Å; D30-S75 WeakPolarHBondContact OD2-CB 3.49Å; D30-S75 PolarHBondContact OD2-N 3.19Å; D30-S75 PolarHBondContact OD2-OG 3.46Å; R32-S75 WeakPolarHBondContact CD-OG 3.45Å; S75-V104 WeakPolarHBondContact O-CG2 3.3Å
76T93.9Very high96.4Very high18 Ų1832.5 Ų32.511%0.1117%0.168CC..SBendtrans-113.2174.5-175.154.70000112.1T82T76-T82 PolarHBondContact OG1-OG1 3.03Å
77L95.4Very high96.8Very high2 Ų229.7 Ų29.71%0.0115%0.149CC..  trans-59.6147.2176.9-72.2167.9000111.1K79 T82 V104 V108 H109 A112 I206 V688 F690L77-K79 HydrophobicContact CB-CB 4.16Å; L77-K79 PolarHBondContact O-N 3.03Å; L77-T82 VanDerWaalsContact O-CB 3.27Å; L77-T82 WeakPolarHBondContact O-CB 3.46Å; L77-T82 PolarHBondContact O-OG1 3.43Å; L77-V104 HydrophobicContact CD2-CG1 3.74Å; L77-V108 HydrophobicContact CD2-CG1 4.46Å; L77-H109 HydrophobicContact CD2-CB 4.5Å; L77-H109 WeakPolarHBondContact CD2-ND1 3.25Å; L77-A112 HydrophobicContact CD1-CB 3.63Å; L77-A112 HydrophobicContact CD2-CB 4.02Å; L77-I206 HydrophobicContact CD1-CD1 4.03Å; L77-I206 HydrophobicContact CD1-CG2 4.19Å; L77-I206 HydrophobicContact CG-CG2 4.46Å; L77-V688 HydrophobicContact CD1-CB 4.45Å; L77-V688 PolarHBondContact N-O 3.47Å; L77-F690 HydrophobicContact CD1-CD1 4.45Å; L77-F690 HydrophobicContact CD1-CE1 3.65Å; L77-F690 HydrophobicContact CD1-CZ 4.21Å
78L96.1Very high96.9Very high14 Ų1430.7 Ų30.77%0.07316%0.156CC..SBendtrans-78.357.7168.6-60.4-179.8000108.5V74 T82 V83 I86 V100 T102 H109 F125 F128 V145V74-L78 HydrophobicContact CG2-CD2 3.8Å; L78-T82 HydrophobicContact CD2-CG2 4.32Å; L78-V83 WeakPolarHBondContact O-CG2 3.35Å; L78-I86 HydrophobicContact CD2-CD1 4.2Å; L78-V100 HydrophobicContact CD1-CG1 4.27Å; L78-V100 HydrophobicContact CD2-CG1 3.75Å; L78-T102 HydrophobicContact CD1-CG2 4.23Å; L78-H109 PolarHBondContact N-CE1 3.05Å; L78-F125 HydrophobicContact CD1-CD1 4.41Å; L78-F125 HydrophobicContact CD1-CE1 4.36Å; L78-F128 HydrophobicContact CB-CD2 4.38Å; L78-F128 HydrophobicContact CB-CE2 4.35Å; L78-F128 HydrophobicContact CD1-CD1 4.1Å; L78-F128 HydrophobicContact CD1-CE1 4.4Å; L78-F128 HydrophobicContact CD1-CG 4.31Å; L78-F128 HydrophobicContact CD2-CE1 4.41Å; L78-V145 HydrophobicContact CD1-CG1 3.56Å
79K94Very high97.1Very high77 Ų7728.4 Ų28.434%0.33514%0.141SC..SBendtrans-146.4163.5179.2-166.6168.5-179.1166.40108.7L77 R81 T82 V83 A112 N113 G689 F690L77-K79 HydrophobicContact CB-CB 4.16Å; L77-K79 PolarHBondContact O-N 3.03Å; K79-R81 PolarHBondContact O-N 3.44Å; K79-T82 PolarHBondContact O-N 3.07Å; K79-V83 VanDerWaalsContact N-CG2 3.3Å; K79-A112 PolarHBondContact NZ-O 3.16Å; K79-N113 PolarHBondContact NZ-OD1 2.92Å; K79-G689 VanDerWaalsContact O-O 3.04Å; K79-F690 HydrophobicContact CD-CD1 4.4Å; K79-F690 HydrophobicContact CD-CE1 4.17Å
80G94.6Very high97Very high23 Ų2327.1 Ų27.124%0.23714%0.136CC..Hα-helixtrans54.1-133173.500000112.7T82 V83 D84 G689G80-T82 VanDerWaalsContact C-N 3.26Å; G80-T82 PolarHBondContact O-N 3.39Å; G80-T82 VanDerWaalsContact O-N 3.16Å; G80-V83 WeakPolarHBondContact O-CB 3.41Å; G80-V83 PolarHBondContact O-N 3.24Å; G80-D84 PolarHBondContact O-N 3.16Å; G80-G689 WeakPolarHBondContact CA-O 3.45Å
81R95.8Very high97Very high133 Ų13331.8 Ų31.850%0.50216%0.16SC..Hα-helixtrans-54-38.7-173.6-164-172.7-47.9160.318.2113.6K79 V83 D84 I85 D687 G689K79-R81 PolarHBondContact O-N 3.44Å; R81-V83 VanDerWaalsContact C-N 3.3Å; R81-V83 PolarHBondContact O-N 2.67Å; R81-D84 PolarHBondContact O-N 2.93Å; R81-I85 HydrophobicContact CG-CD1 4.06Å; R81-I85 WeakPolarHBondContact O-CG1 3.49Å; R81-I85 PolarHBondContact O-N 3.33Å; R81-D687 IonicContact CZ-OD2 2.75Å; R81-D687 IonicContact NH1-OD2 2.86Å; R81-D687 PolarHBondContact NH1-OD2 3.46Å; R81-D687 IonicContact NH2-OD1 2.71Å; R81-D687 IonicContact NH2-OD2 3.18Å; R81-D687 PolarHBondContact NH2-OD2 3.29Å; R81-G689 PolarHBondContact N-O 2.76Å; R81-G689 VanDerWaalsContact N-O 3.16Å
82T96.6Very high96.9Very high6 Ų636.7 Ų36.74%0.03719%0.186CC..Hα-helixtrans-63.7-38.6-179.4-57.50000111.7F57 V74 T76 L77 L78 K79 G80 I86F57-T82 HydrophobicContact CE1-CG2 4.21Å; F57-T82 HydrophobicContact CZ-CG2 3.92Å; V74-T82 HydrophobicContact CB-CG2 4.11Å; V74-T82 HydrophobicContact CG1-CG2 4.07Å; V74-T82 HydrophobicContact CG2-CG2 4.06Å; T76-T82 PolarHBondContact OG1-OG1 3.03Å; L77-T82 VanDerWaalsContact O-CB 3.27Å; L77-T82 WeakPolarHBondContact O-CB 3.46Å; L77-T82 PolarHBondContact O-OG1 3.43Å; L78-T82 HydrophobicContact CD2-CG2 4.32Å; K79-T82 PolarHBondContact O-N 3.07Å; G80-T82 VanDerWaalsContact C-N 3.26Å; G80-T82 PolarHBondContact O-N 3.39Å; G80-T82 VanDerWaalsContact O-N 3.16Å; T82-I86 HydrophobicContact CG2-CD1 4.2Å; T82-I86 VanDerWaalsContact O-CG1 3.31Å; T82-I86 WeakPolarHBondContact O-CG1 3.2Å; T82-I86 PolarHBondContact O-N 3.21Å; T82-I86 VanDerWaalsContact O-N 3.12Å
83V97.3Very high96.8Very high21 Ų2137.3 Ų37.313%0.12719%0.19CC..Hα-helixtrans-70.1-41.5177.9175.70000110.9L78 K79 G80 R81 I86 K87 F128 W135L78-V83 WeakPolarHBondContact O-CG2 3.35Å; K79-V83 VanDerWaalsContact N-CG2 3.3Å; G80-V83 WeakPolarHBondContact O-CB 3.41Å; G80-V83 PolarHBondContact O-N 3.24Å; R81-V83 VanDerWaalsContact C-N 3.3Å; R81-V83 PolarHBondContact O-N 2.67Å; V83-I86 PolarHBondContact O-N 3.48Å; V83-K87 VanDerWaalsContact O-CB 3.26Å; V83-K87 WeakPolarHBondContact O-CB 3.42Å; V83-K87 PolarHBondContact O-N 3.4Å; V83-F128 HydrophobicContact CB-CE2 4.31Å; V83-F128 HydrophobicContact CG1-CE2 3.93Å; V83-F128 HydrophobicContact CG1-CZ 4.43Å; V83-F128 HydrophobicContact CG2-CE2 3.6Å; V83-F128 HydrophobicContact CG2-CZ 4.12Å; V83-W135 HydrophobicContact CG1-CH2 3.58Å; V83-W135 HydrophobicContact CG1-CZ2 4.07Å
84D97.8Very high96.7Very high93 Ų9342.4 Ų42.450%0.49721%0.213SC..Hα-helixtrans-61.4-46178.8-63.8-27.8000110.8G80 R81 K87 D88G80-D84 PolarHBondContact O-N 3.16Å; R81-D84 PolarHBondContact O-N 2.93Å; D84-K87 PolarHBondContact O-N 3.12Å; D84-D88 WeakPolarHBondContact O-CB 3.4Å; D84-D88 PolarHBondContact O-N 3.29Å
85I98.3Very high96.7Very high24 Ų2442.7 Ų42.712%0.12322%0.215CC..Hα-helixtrans-61.9-47.4176.6-66.3165.8000111.7F57 R81 K87 D88 I89F57-I85 HydrophobicContact CD1-CB 4.46Å; F57-I85 HydrophobicContact CD1-CD1 4.08Å; F57-I85 HydrophobicContact CD1-CG2 3.86Å; F57-I85 HydrophobicContact CD2-CG2 3.87Å; F57-I85 HydrophobicContact CE1-CB 3.8Å; F57-I85 HydrophobicContact CE1-CD1 3.73Å; F57-I85 HydrophobicContact CE1-CG1 4.37Å; F57-I85 HydrophobicContact CE1-CG2 3.63Å; F57-I85 HydrophobicContact CE2-CB 4.27Å; F57-I85 HydrophobicContact CE2-CG2 3.63Å; F57-I85 HydrophobicContact CG-CG2 3.98Å; F57-I85 HydrophobicContact CZ-CB 3.69Å; F57-I85 HydrophobicContact CZ-CD1 4.49Å; F57-I85 HydrophobicContact CZ-CG2 3.51Å; R81-I85 HydrophobicContact CG-CD1 4.06Å; R81-I85 WeakPolarHBondContact O-CG1 3.49Å; R81-I85 PolarHBondContact O-N 3.33Å; I85-K87 VanDerWaalsContact C-N 3.28Å; I85-K87 PolarHBondContact O-N 2.91Å; I85-D88 PolarHBondContact O-N 3.06Å; I85-I89 HydrophobicContact CG2-CD1 3.71Å; I85-I89 HydrophobicContact CG2-CG1 4.41Å; I85-I89 VanDerWaalsContact O-CG1 3.29Å; I85-I89 WeakPolarHBondContact O-CG1 3.46Å; I85-I89 PolarHBondContact O-N 3.47Å
86I98.5Very high96.9Very high0 Ų046.9 Ų46.90%023%0.232CC..Hα-helixtrans-57.9-45.8177.5-71.8169.2000110.2F57 F72 L78 T82 V83 I89 I90 V100 F128 L132 W135F57-I86 HydrophobicContact CE2-CD1 4.37Å; F57-I86 HydrophobicContact CE2-CG1 3.53Å; F57-I86 HydrophobicContact CZ-CD1 4.36Å; F57-I86 HydrophobicContact CZ-CG1 3.73Å; F72-I86 HydrophobicContact CD1-CG1 4.04Å; F72-I86 HydrophobicContact CE1-CG1 4.44Å; F72-I86 HydrophobicContact CE1-CG2 4.49Å; F72-I86 HydrophobicContact CE2-CG2 4.4Å; F72-I86 HydrophobicContact CG-CG1 4.31Å; F72-I86 HydrophobicContact CZ-CG2 4.35Å; L78-I86 HydrophobicContact CD2-CD1 4.2Å; T82-I86 HydrophobicContact CG2-CD1 4.2Å; T82-I86 VanDerWaalsContact O-CG1 3.31Å; T82-I86 WeakPolarHBondContact O-CG1 3.2Å; T82-I86 PolarHBondContact O-N 3.21Å; T82-I86 VanDerWaalsContact O-N 3.12Å; V83-I86 PolarHBondContact O-N 3.48Å; I86-I89 PolarHBondContact O-N 3.41Å; I86-I90 HydrophobicContact CG2-CD1 3.59Å; I86-I90 HydrophobicContact CG2-CG1 4.44Å; I86-I90 VanDerWaalsContact O-CG1 3.25Å; I86-I90 WeakPolarHBondContact O-CG1 3.37Å; I86-I90 PolarHBondContact O-N 3.03Å; I86-V100 HydrophobicContact CD1-CG1 4.26Å; I86-F128 HydrophobicContact CD1-CE1 4.17Å; I86-F128 HydrophobicContact CD1-CZ 4.05Å; I86-F128 HydrophobicContact CG2-CZ 4.43Å; I86-L132 HydrophobicContact CG2-CD2 3.79Å; I86-W135 HydrophobicContact CG2-CZ3 4.06Å
87K98.6Very high97.1Very high80 Ų8048.8 Ų48.835%0.34824%0.238SC..Hα-helixtrans-62.6-46.8-179.8-179.5-177.8176.2-169.70111.4V83 D84 I85 I89 I90 L91 W135V83-K87 VanDerWaalsContact O-CB 3.26Å; V83-K87 WeakPolarHBondContact O-CB 3.42Å; V83-K87 PolarHBondContact O-N 3.4Å; D84-K87 PolarHBondContact O-N 3.12Å; I85-K87 VanDerWaalsContact C-N 3.28Å; I85-K87 PolarHBondContact O-N 2.91Å; K87-I89 PolarHBondContact O-N 2.99Å; K87-I90 PolarHBondContact O-N 2.85Å; K87-L91 HydrophobicContact CD-CD1 4.43Å; K87-L91 HydrophobicContact CG-CD1 3.8Å; K87-L91 HydrophobicContact CG-CG 4.24Å; K87-L91 WeakPolarHBondContact O-CB 3.38Å; K87-L91 VanDerWaalsContact O-CG 3.27Å; K87-L91 WeakPolarHBondContact O-CG 3.46Å; K87-L91 PolarHBondContact O-N 3.43Å; K87-W135 HydrophobicContact CB-CD2 4.03Å; K87-W135 HydrophobicContact CB-CE3 4.01Å; K87-W135 HydrophobicContact CB-CH2 4.36Å; K87-W135 HydrophobicContact CB-CZ2 4.32Å; K87-W135 HydrophobicContact CB-CZ3 4.18Å; K87-W135 HydrophobicContact CD-CD2 4.39Å; K87-W135 HydrophobicContact CD-CZ2 4.25Å; K87-W135 HydrophobicContact CG-CD2 3.82Å; K87-W135 HydrophobicContact CG-CE3 4.3Å; K87-W135 HydrophobicContact CG-CG 4.06Å; K87-W135 HydrophobicContact CG-CZ2 4.4Å
88D98.4Very high97.2Very high61 Ų6148.7 Ų48.733%0.32624%0.238SC..Hα-helixtrans-58.8-48.6179-69.6-21000111.2S59 D84 I85 I90 L91 L92S59-D88 WeakPolarHBondContact CB-OD2 3.45Å; S59-D88 PolarHBondContact OG-OD2 2.69Å; D84-D88 WeakPolarHBondContact O-CB 3.4Å; D84-D88 PolarHBondContact O-N 3.29Å; I85-D88 PolarHBondContact O-N 3.06Å; D88-I90 VanDerWaalsContact C-N 3.32Å; D88-I90 PolarHBondContact O-N 3.07Å; D88-L91 PolarHBondContact O-N 3.22Å; D88-L92 WeakPolarHBondContact O-CB 3.44Å; D88-L92 VanDerWaalsContact O-CG 3.27Å; D88-L92 WeakPolarHBondContact O-CG 3.45Å; D88-L92 PolarHBondContact O-N 2.84Å
89I98.6Very high97.4Very high0 Ų048 Ų480%023%0.234CC..Hα-helixtrans-59.7-43.6178.2-65165.9000110.8F28 F57 S58 F72 I85 I86 K87 L92 S93 F95F28-I89 HydrophobicContact CD1-CD1 3.95Å; F28-I89 HydrophobicContact CD1-CG2 4.25Å; F28-I89 HydrophobicContact CD2-CG2 4.31Å; F28-I89 HydrophobicContact CE1-CD1 4.33Å; F28-I89 HydrophobicContact CE1-CG2 3.74Å; F28-I89 HydrophobicContact CE2-CG2 3.82Å; F28-I89 HydrophobicContact CG-CD1 4.32Å; F28-I89 HydrophobicContact CG-CG2 4.5Å; F28-I89 HydrophobicContact CZ-CG2 3.49Å; F28-I89 VanDerWaalsContact CZ-CG2 3.49Å; F57-I89 HydrophobicContact CD2-CD1 4.25Å; F57-I89 HydrophobicContact CE2-CD1 4.49Å; S58-I89 WeakPolarHBondContact O-CD1 3.37Å; S58-I89 VanDerWaalsContact O-CG1 3.28Å; S58-I89 WeakPolarHBondContact O-CG1 3.31Å; F72-I89 HydrophobicContact CE1-CB 4.17Å; F72-I89 HydrophobicContact CE1-CD1 3.99Å; F72-I89 HydrophobicContact CE1-CG2 3.92Å; F72-I89 HydrophobicContact CZ-CG2 4.11Å; I85-I89 HydrophobicContact CG2-CD1 3.71Å; I85-I89 HydrophobicContact CG2-CG1 4.41Å; I85-I89 VanDerWaalsContact O-CG1 3.29Å; I85-I89 WeakPolarHBondContact O-CG1 3.46Å; I85-I89 PolarHBondContact O-N 3.47Å; I86-I89 PolarHBondContact O-N 3.41Å; K87-I89 PolarHBondContact O-N 2.99Å; I89-L92 PolarHBondContact O-N 3.32Å; I89-S93 WeakPolarHBondContact O-CB 3.46Å; I89-S93 PolarHBondContact O-N 3.29Å; I89-S93 PolarHBondContact O-OG 2.95Å; I89-F95 HydrophobicContact CG2-CE2 4.11Å; I89-F95 HydrophobicContact CG2-CZ 4.43Å
90I98.3Very high97.6Very high3 Ų344.3 Ų44.32%0.01522%0.218CC..Hα-helixtrans-65.4-46.1179.5-70168.3000111.1F72 I86 K87 D88 L92 S93 F95 L132 W135 M136F72-I90 HydrophobicContact CE2-CD1 4.24Å; F72-I90 HydrophobicContact CE2-CG1 4.23Å; F72-I90 HydrophobicContact CZ-CD1 4.29Å; F72-I90 HydrophobicContact CZ-CG1 3.91Å; I86-I90 HydrophobicContact CG2-CD1 3.59Å; I86-I90 HydrophobicContact CG2-CG1 4.44Å; I86-I90 VanDerWaalsContact O-CG1 3.25Å; I86-I90 WeakPolarHBondContact O-CG1 3.37Å; I86-I90 PolarHBondContact O-N 3.03Å; K87-I90 PolarHBondContact O-N 2.85Å; D88-I90 VanDerWaalsContact C-N 3.32Å; D88-I90 PolarHBondContact O-N 3.07Å; I90-L92 PolarHBondContact O-N 3.07Å; I90-S93 PolarHBondContact O-N 2.78Å; I90-S93 VanDerWaalsContact O-N 3.09Å; I90-F95 HydrophobicContact CB-CD2 4.41Å; I90-F95 HydrophobicContact CG1-CD2 4Å; I90-F95 HydrophobicContact CG1-CE2 4.3Å; I90-L132 HydrophobicContact CD1-CD2 3.33Å; I90-W135 HydrophobicContact CB-CB 4.45Å; I90-W135 HydrophobicContact CD1-CE3 4Å; I90-W135 HydrophobicContact CG2-CB 3.75Å; I90-M136 HydrophobicContact CG2-CB 4.48Å; I90-M136 HydrophobicContact CG2-CG 3.77Å
91L97.3Very high97.8Very high97 Ų9743.2 Ų43.251%0.50821%0.207SC..Hα-helixtrans-66.4-26.9-178.8-70.8177.5000113K87 D88 S93 W135K87-L91 HydrophobicContact CD-CD1 4.43Å; K87-L91 HydrophobicContact CG-CD1 3.8Å; K87-L91 HydrophobicContact CG-CG 4.24Å; K87-L91 WeakPolarHBondContact O-CB 3.38Å; K87-L91 VanDerWaalsContact O-CG 3.27Å; K87-L91 WeakPolarHBondContact O-CG 3.46Å; K87-L91 PolarHBondContact O-N 3.43Å; D88-L91 PolarHBondContact O-N 3.22Å; L91-S93 VanDerWaalsContact C-N 3.34Å; L91-W135 HydrophobicContact CD2-CB 4.5Å
92L96.7Very high97.8Very high104 Ų10436.9 Ų36.955%0.54518%0.183SC..THydrogen-bonded Turntrans-87.8-1.1175.7-65.8172.7000113.4A62 D88 I89 I90A62-L92 HydrophobicContact CB-CB 3.78Å; D88-L92 WeakPolarHBondContact O-CB 3.44Å; D88-L92 VanDerWaalsContact O-CG 3.27Å; D88-L92 WeakPolarHBondContact O-CG 3.45Å; D88-L92 PolarHBondContact O-N 2.84Å; I89-L92 PolarHBondContact O-N 3.32Å; I90-L92 PolarHBondContact O-N 3.07Å
93S96.9Very high97.8Very high12 Ų1236.9 Ų36.98%0.08418%0.184CC..SBendtrans-123.1176.9-174.7-58.80000112.3C63 I89 I90 L91 F95C63-S93 PolarHBondContact N-OG 2.94Å; I89-S93 WeakPolarHBondContact O-CB 3.46Å; I89-S93 PolarHBondContact O-N 3.29Å; I89-S93 PolarHBondContact O-OG 2.95Å; I90-S93 PolarHBondContact O-N 2.78Å; I90-S93 VanDerWaalsContact O-N 3.09Å; L91-S93 VanDerWaalsContact C-N 3.34Å; S93-F95 WeakPolarHBondContact OG-CE2 3.45Å; S93-F95 WeakPolarHBondContact OG-CZ 3.23Å
94H95.8Very high97.7Very high108 Ų10836.2 Ų36.250%0.518%0.179SC..  trans-117.850.2-179.8-61.6-72.1000112.3
95F97.8Very high97.6Very high5 Ų532 Ų322%0.02216%0.157CC..  trans-75.1145.8-178.3-55.2-48.8000112.8F28 C63 E67 P68 A70 F72 I89 I90 S93 M136F28-F95 AromaticContact CE2-CZ 3.91Å; F28-F95 HydrophobicContact CE2-CZ 3.91Å; F28-F95 HydrophobicContact CZ-CZ 4.27Å; C63-F95 HydrophobicContact CB-CE1 3.45Å; C63-F95 VanDerWaalsContact CB-CE1 3.45Å; C63-F95 HydrophobicContact CB-CZ 3.62Å; C63-F95 VanDerWaalsContact SG-CE1 3.53Å; C63-F95 WeakPolarHBondContact SG-CZ 3.45Å; E67-F95 WeakPolarHBondContact O-CD1 3.48Å; E67-F95 WeakPolarHBondContact O-CE1 3.22Å; P68-F95 WeakPolarHBondContact O-CA 3.32Å; A70-F95 HydrophobicContact CB-CD1 3.93Å; A70-F95 HydrophobicContact CB-CD2 3.98Å; A70-F95 HydrophobicContact CB-CE1 3.75Å; A70-F95 HydrophobicContact CB-CE2 3.78Å; A70-F95 HydrophobicContact CB-CG 4.05Å; A70-F95 HydrophobicContact CB-CZ 3.68Å; F72-F95 HydrophobicContact CZ-CE2 4.42Å; I89-F95 HydrophobicContact CG2-CE2 4.11Å; I89-F95 HydrophobicContact CG2-CZ 4.43Å; I90-F95 HydrophobicContact CB-CD2 4.41Å; I90-F95 HydrophobicContact CG1-CD2 4Å; I90-F95 HydrophobicContact CG1-CE2 4.3Å; S93-F95 WeakPolarHBondContact OG-CE2 3.45Å; S93-F95 WeakPolarHBondContact OG-CZ 3.23Å; F95-M136 HydrophobicContact CB-CG 4.21Å; F95-M136 HydrophobicContact CB-SD 3.9Å
96Q97.6Very high97.5Very high103 Ų10331.5 Ų31.548%0.48115%0.154SC..SBendtrans-121.3-9170.8-57.1177.7-1.300111.2P68 Y141 T142P68-Q96 HydrophobicContact CB-CB 4.36Å; P68-Q96 HydrophobicContact CB-CG 4.19Å; P68-Q96 PolarHBondContact O-N 2.99Å; Q96-Y141 HydrophobicContact CB-CD1 4.01Å; Q96-Y141 HydrophobicContact CB-CD2 4.48Å; Q96-Y141 HydrophobicContact CB-CE1 4.06Å; Q96-Y141 HydrophobicContact CB-CG 4.25Å; Q96-Y141 HydrophobicContact CG-CD1 4.33Å; Q96-Y141 HydrophobicContact CG-CE1 3.86Å; Q96-Y141 HydrophobicContact CG-CE2 4.19Å; Q96-Y141 WeakPolarHBondContact O-CB 3.41Å; Q96-T142 PolarHBondContact O-N 3.11Å; Q96-T142 VanDerWaalsContact O-N 3.11Å
97Y98.5Very high97.2Very high58 Ų5832.6 Ų32.623%0.22716%0.162CC..EExtended strand (participates in β ladder)trans-147110.3178.4-172.6-179.6000110.5P68 K69 A70 V99 T142 E144P68-Y97 PolarHBondContact O-N 3.21Å; P68-Y97 VanDerWaalsContact O-N 3.13Å; K69-Y97 CarbonylContact C-O 3.59Å; K69-Y97 VanDerWaalsContact CA-O 3.25Å; K69-Y97 WeakPolarHBondContact CA-O 3.26Å; K69-Y97 HydrophobicContact CD-CD1 3.82Å; K69-Y97 HydrophobicContact CD-CE1 4.24Å; K69-Y97 HydrophobicContact CD-CG 4.35Å; K69-Y97 HydrophobicContact CG-CD1 4.11Å; K69-Y97 HydrophobicContact CG-CG 4.14Å; A70-Y97 PolarHBondContact N-O 3.19Å; Y97-V99 HydrophobicContact CD2-CG2 4Å; Y97-V99 HydrophobicContact CE2-CG2 3.38Å; Y97-T142 CarbonylContact C-O 3.58Å; Y97-T142 VanDerWaalsContact CA-O 3.26Å; Y97-T142 WeakPolarHBondContact CA-O 3.41Å; Y97-T142 HydrophobicContact CD2-CG2 3.62Å; Y97-T142 WeakPolarHBondContact CD2-O 3.27Å; Y97-T142 HydrophobicContact CE2-CG2 3.45Å; Y97-T142 VanDerWaalsContact CE2-CG2 3.45Å; Y97-T142 HydrophobicContact CG-CG2 4.33Å; Y97-E144 HydrophobicContact CE2-CG 4.48Å; Y97-E144 WeakPolarHBondContact CE2-OE1 3.24Å; Y97-E144 VanDerWaalsContact CZ-OE1 3.3Å; Y97-E144 PolarHBondContact OH-OE1 3.42Å
98C98.6Very high97.1Very high0 Ų029 Ų290%015%0.146CC..EExtended strand (participates in β ladder)trans-110.4134.7173.9-73.80000110.7F72 L132 M136 T142 A143 E144F72-C98 HydrophobicContact CE2-CB 4.42Å; C98-L132 HydrophobicContact CB-CD2 4.48Å; C98-M136 HydrophobicContact CB-CE 4.27Å; C98-M136 HydrophobicContact CB-SD 4.16Å; C98-T142 PolarHBondContact N-O 3.35Å; C98-A143 VanDerWaalsContact O-CA 3.3Å; C98-A143 WeakPolarHBondContact O-CA 3.44Å; C98-E144 PolarHBondContact O-N 2.99Å
99V98.8Very high97Very high0 Ų026.1 Ų26.10%013%0.131CC..EExtended strand (participates in β ladder)trans-121.9131.8169.9-175.80000108.2K21 A70 V71 F72 Y97 F101 E144 M146K21-V99 HydrophobicContact CB-CG1 4.42Å; K21-V99 HydrophobicContact CG-CG1 4.45Å; A70-V99 PolarHBondContact O-N 2.88Å; V71-V99 CarbonylContact C-O 3.58Å; V71-V99 VanDerWaalsContact CA-O 3.3Å; V71-V99 WeakPolarHBondContact CA-O 3.27Å; V71-V99 HydrophobicContact CG2-CB 4.18Å; F72-V99 PolarHBondContact N-O 2.9Å; Y97-V99 HydrophobicContact CD2-CG2 4Å; Y97-V99 HydrophobicContact CE2-CG2 3.38Å; V99-F101 HydrophobicContact CG1-CD2 3.98Å; V99-F101 HydrophobicContact CG1-CE2 3.59Å; V99-F101 HydrophobicContact CG1-CZ 4.27Å; V99-E144 CarbonylContact C-O 3.51Å; V99-E144 WeakPolarHBondContact CA-O 3.3Å; V99-E144 HydrophobicContact CG1-CB 4.32Å; V99-E144 HydrophobicContact CG2-CB 4.46Å; V99-M146 HydrophobicContact CG1-CE 3.26Å
100V98.8Very high96.8Very high0 Ų026.3 Ų26.30%013%0.132CC..EExtended strand (participates in β ladder)trans-117.9118.1176.2-178.50000109F72 L78 I86 F128 L132 E144 V145 M146F72-V100 HydrophobicContact CB-CG1 4.38Å; F72-V100 HydrophobicContact CB-CG2 4.17Å; F72-V100 HydrophobicContact CD2-CG2 3.88Å; F72-V100 HydrophobicContact CG-CG2 4.36Å; L78-V100 HydrophobicContact CD1-CG1 4.27Å; L78-V100 HydrophobicContact CD2-CG1 3.75Å; I86-V100 HydrophobicContact CD1-CG1 4.26Å; V100-F128 HydrophobicContact CG2-CE1 4.18Å; V100-L132 HydrophobicContact CG2-CD1 3.71Å; V100-L132 HydrophobicContact CG2-CD2 4.22Å; V100-E144 PolarHBondContact N-O 3.18Å; V100-V145 HydrophobicContact CB-CG2 4.2Å; V100-V145 WeakPolarHBondContact O-CA 3.42Å; V100-M146 PolarHBondContact O-N 2.75Å
101F98.4Very high96.6Very high0 Ų028.4 Ų28.40%014%0.141CC..EExtended strand (participates in β ladder)trans-97.4122.6166-74-82.7000109.4K17 V18 K21 V71 F72 V73 V74 V99 M146K17-F101 HydrophobicContact CB-CE1 4.02Å; K17-F101 HydrophobicContact CB-CZ 4.48Å; K17-F101 VanDerWaalsContact O-CZ 3.26Å; K17-F101 WeakPolarHBondContact O-CZ 3.5Å; V18-F101 HydrophobicContact CB-CD2 4.46Å; V18-F101 HydrophobicContact CB-CE2 4.39Å; V18-F101 HydrophobicContact CG1-CD2 4.3Å; V18-F101 HydrophobicContact CG1-CE2 4.43Å; V18-F101 HydrophobicContact CG2-CB 4.37Å; V18-F101 HydrophobicContact CG2-CD1 4Å; V18-F101 HydrophobicContact CG2-CD2 4.05Å; V18-F101 HydrophobicContact CG2-CE1 4.25Å; V18-F101 HydrophobicContact CG2-CE2 4.31Å; V18-F101 HydrophobicContact CG2-CG 3.88Å; V18-F101 HydrophobicContact CG2-CZ 4.39Å; K21-F101 HydrophobicContact CB-CE2 3.86Å; K21-F101 HydrophobicContact CB-CZ 4.13Å; K21-F101 HydrophobicContact CG-CE2 4.03Å; K21-F101 HydrophobicContact CG-CZ 3.82Å; V71-F101 HydrophobicContact CG1-CD2 3.89Å; V71-F101 HydrophobicContact CG1-CE2 4.18Å; F72-F101 PolarHBondContact O-N 2.91Å; V73-F101 WeakPolarHBondContact CA-O 3.43Å; V73-F101 HydrophobicContact CG1-CB 4.32Å; V73-F101 HydrophobicContact CG2-CB 4.42Å; V74-F101 PolarHBondContact N-O 2.81Å; V99-F101 HydrophobicContact CG1-CD2 3.98Å; V99-F101 HydrophobicContact CG1-CE2 3.59Å; V99-F101 HydrophobicContact CG1-CZ 4.27Å; F101-M146 WeakPolarHBondContact CA-O 3.34Å; F101-M146 HydrophobicContact CD1-CB 3.93Å; F101-M146 HydrophobicContact CD1-CE 4.39Å; F101-M146 HydrophobicContact CE1-CB 3.85Å; F101-M146 HydrophobicContact CE1-CE 3.62Å; F101-M146 HydrophobicContact CE1-SD 3.98Å; F101-M146 HydrophobicContact CE2-CE 3.81Å; F101-M146 HydrophobicContact CZ-CE 3.29Å; F101-M146 HydrophobicContact CZ-SD 4.09Å
102T97.1Very high96.4Very high0 Ų024.2 Ų24.20%012%0.12CC..EExtended strand (participates in β ladder)trans-106.8136.5169.4173.30000109.8V74 L78 V104 H109 F125 M146 H147 S148V74-T102 CarbonylContact O-C 3.6Å; V74-T102 WeakPolarHBondContact O-CA 3.24Å; L78-T102 HydrophobicContact CD1-CG2 4.23Å; T102-V104 WeakPolarHBondContact CG2-O 3.37Å; T102-V104 PolarHBondContact OG1-N 2.63Å; T102-V104 PolarHBondContact OG1-O 2.75Å; T102-H109 PolarHBondContact OG1-NE2 3.14Å; T102-F125 HydrophobicContact CG2-CE1 3.88Å; T102-F125 HydrophobicContact CG2-CZ 3.63Å; T102-M146 PolarHBondContact N-O 3.36Å; T102-H147 WeakPolarHBondContact O-CA 3.34Å; T102-H147 PolarHBondContact O-CD2 3.14Å; T102-S148 PolarHBondContact O-N 2.92Å
103A96.1Very high96.1Very high6 Ų622.2 Ų22.25%0.0511%0.11CC..SBendtrans-78.5-11.1169.600000112.8V74 S148 V150 V151V74-A103 PolarHBondContact O-N 2.87Å; A103-S148 WeakPolarHBondContact CA-O 3.46Å; A103-V150 HydrophobicContact CB-CG2 4.39Å; A103-V151 HydrophobicContact CB-CG1 3.62Å
104V96Very high95.7Very high6 Ų629 Ų294%0.03615%0.145CC..SBendtrans-86.6126.6175.6-174.90000109.3S75 L77 T102 V108 H109S75-V104 WeakPolarHBondContact O-CG2 3.3Å; L77-V104 HydrophobicContact CD2-CG1 3.74Å; T102-V104 WeakPolarHBondContact CG2-O 3.37Å; T102-V104 PolarHBondContact OG1-N 2.63Å; T102-V104 PolarHBondContact OG1-O 2.75Å; V104-V108 HydrophobicContact CG1-CB 3.75Å; V104-V108 HydrophobicContact CG1-CG1 3.59Å; V104-H109 PolarHBondContact O-CD2 2.62Å; V104-H109 PolarHBondContact O-NE2 3.01Å; V104-H109 VanDerWaalsContact O-NE2 3.16Å
105P94.9Very high95.4Very high4 Ų426.5 Ų26.53%0.02614%0.138CC..  trans-71.7152.9-177.932.8-40.7000111.6S107 V108 H109 S213P105-S107 VanDerWaalsContact C-N 3.27Å; P105-S107 PolarHBondContact O-N 3.02Å; P105-V108 HydrophobicContact CG-CB 3.9Å; P105-V108 HydrophobicContact CG-CG2 3.52Å; P105-V108 WeakPolarHBondContact O-CB 3.3Å; P105-V108 PolarHBondContact O-N 3.35Å; P105-H109 PolarHBondContact O-CD2 3.2Å; P105-H109 VanDerWaalsContact O-CD2 3.27Å; P105-H109 PolarHBondContact O-N 2.8Å; P105-S213 WeakPolarHBondContact CB-OG 3.19Å; P105-S213 WeakPolarHBondContact CG-OG 3.48Å
106H95.1Very high94.8Very high14 Ų1429.7 Ų29.77%0.06516%0.161CC..Hα-helixtrans-53.7-40.9-178.6-170.173.4000113.9V108 H109 L110 F122 P123 V124 F125H106-V108 PolarHBondContact O-N 2.82Å; H106-H109 WeakPolarHBondContact O-CB 3.29Å; H106-H109 PolarHBondContact O-N 3.06Å; H106-L110 PolarHBondContact O-N 3.14Å; H106-F122 HydrophobicContact CB-CD1 3.85Å; H106-F122 HydrophobicContact CB-CE1 4.3Å; H106-F122 AromaticContact CD2-CD1 3.97Å; H106-F122 VanDerWaalsContact CE1-CA 3.49Å; H106-F122 WeakPolarHBondContact CE1-CA 3.44Å; H106-F122 AromaticContact CG-CD1 3.68Å; H106-P123 WeakPolarHBondContact NE2-CD 3.42Å; H106-V124 PolarHBondContact CE1-N 3.33Å; H106-F125 HydrophobicContact CB-CE1 4.49Å; H106-F125 HydrophobicContact CB-CE2 3.89Å; H106-F125 HydrophobicContact CB-CZ 3.88Å; H106-F125 AromaticContact ND1-CD1 3.58Å; H106-F125 AromaticContact ND1-CD2 3.79Å; H106-F125 AromaticContact ND1-CE1 3.69Å; H106-F125 AromaticContact ND1-CE2 3.89Å; H106-F125 AromaticContact ND1-CG 3.64Å; H106-F125 AromaticContact ND1-CZ 3.85Å
107S94.1Very high94Very high23 Ų2328 Ų2816%0.16116%0.157CC..Hα-helixtrans-59.7-31.5177.953.30000113.1P105 F111 T117P105-S107 VanDerWaalsContact C-N 3.27Å; P105-S107 PolarHBondContact O-N 3.02Å; S107-F111 PolarHBondContact O-N 3.08Å; S107-T117 WeakPolarHBondContact O-CG2 3.44Å
108V95.3Very high93Very high4 Ų432.3 Ų32.32%0.02418%0.18CC..Hα-helixtrans-77.8-34.4175.8175.40000111.1L77 V104 P105 H106 L110 F111 A112 I206 K209L77-V108 HydrophobicContact CD2-CG1 4.46Å; V104-V108 HydrophobicContact CG1-CB 3.75Å; V104-V108 HydrophobicContact CG1-CG1 3.59Å; P105-V108 HydrophobicContact CG-CB 3.9Å; P105-V108 HydrophobicContact CG-CG2 3.52Å; P105-V108 WeakPolarHBondContact O-CB 3.3Å; P105-V108 PolarHBondContact O-N 3.35Å; H106-V108 PolarHBondContact O-N 2.82Å; V108-L110 VanDerWaalsContact C-N 3.33Å; V108-L110 PolarHBondContact O-N 2.8Å; V108-F111 PolarHBondContact O-N 2.93Å; V108-A112 WeakPolarHBondContact O-CB 3.28Å; V108-A112 PolarHBondContact O-N 3.04Å; V108-I206 HydrophobicContact CG1-CB 4.27Å; V108-I206 HydrophobicContact CG1-CG1 4.27Å; V108-I206 HydrophobicContact CG1-CG2 3.74Å; V108-K209 HydrophobicContact CG2-CB 3.68Å
109H95.6Very high92Very high2 Ų236.8 Ų36.81%0.00920%0.202CC..Hα-helixtrans-62.6-39.1169.3-68-85.4000112.2L77 L78 T102 V104 P105 H106 N113 V124 F125L77-H109 HydrophobicContact CD2-CB 4.5Å; L77-H109 WeakPolarHBondContact CD2-ND1 3.25Å; L78-H109 PolarHBondContact N-CE1 3.05Å; T102-H109 PolarHBondContact OG1-NE2 3.14Å; V104-H109 PolarHBondContact O-CD2 2.62Å; V104-H109 PolarHBondContact O-NE2 3.01Å; V104-H109 VanDerWaalsContact O-NE2 3.16Å; P105-H109 PolarHBondContact O-CD2 3.2Å; P105-H109 VanDerWaalsContact O-CD2 3.27Å; P105-H109 PolarHBondContact O-N 2.8Å; H106-H109 WeakPolarHBondContact O-CB 3.29Å; H106-H109 PolarHBondContact O-N 3.06Å; H109-N113 PolarHBondContact O-N 2.96Å; H109-N113 PolarHBondContact O-ND2 3.4Å; H109-V124 HydrophobicContact CB-CB 4.43Å; H109-V124 HydrophobicContact CB-CG1 4.09Å; H109-V124 HydrophobicContact CB-CG2 4.48Å; H109-F125 AromaticContact CD2-CE1 3.52Å; H109-F125 AromaticContact CD2-CZ 3.92Å; H109-F125 AromaticContact NE2-CE1 3.73Å
110L94.8Very high91Very high3 Ų346 Ų462%0.01625%0.245CC..Hα-helixtrans-62.5-48.2173.8-68.2171.3000110.8H106 V108 A112 N113 N114 V115 M119 P123 V124H106-L110 PolarHBondContact O-N 3.14Å; V108-L110 VanDerWaalsContact C-N 3.33Å; V108-L110 PolarHBondContact O-N 2.8Å; L110-A112 PolarHBondContact O-N 3.49Å; L110-N113 CarbonylContact O-C 3.44Å; L110-N113 PolarHBondContact O-N 3.36Å; L110-N113 VanDerWaalsContact O-N 3.08Å; L110-N114 PolarHBondContact O-N 3.03Å; L110-V115 CarbonylContact C-O 3.57Å; L110-V115 HydrophobicContact CB-CB 4.28Å; L110-V115 HydrophobicContact CD2-CB 3.98Å; L110-V115 HydrophobicContact CD2-CG1 3.76Å; L110-V115 PolarHBondContact O-N 3.49Å; L110-M119 HydrophobicContact CD1-CB 4.39Å; L110-P123 HydrophobicContact CD2-CG 4.29Å; L110-V124 HydrophobicContact CD2-CG2 3.78Å; L110-V124 HydrophobicContact CG-CG2 4.46Å
111F94.1Very high90.4Very high48 Ų4848 Ų4821%0.21127%0.265CS..Hα-helixtrans-56.3-47.8176.5177.9-101.9000112.3S107 V108 N113 N114 T117 V202 Q205 I206 K209S107-F111 PolarHBondContact O-N 3.08Å; V108-F111 PolarHBondContact O-N 2.93Å; F111-N113 PolarHBondContact O-N 3.24Å; F111-N113 VanDerWaalsContact O-N 3.13Å; F111-N114 PolarHBondContact O-N 3.32Å; F111-T117 HydrophobicContact CB-CG2 3.96Å; F111-V202 HydrophobicContact CE1-CG1 4.13Å; F111-Q205 HydrophobicContact CE1-CB 3.93Å; F111-Q205 HydrophobicContact CZ-CB 4.09Å; F111-I206 HydrophobicContact CD1-CG1 3.88Å; F111-I206 HydrophobicContact CE1-CG1 4.06Å; F111-K209 HydrophobicContact CD1-CD 4.37Å; F111-K209 HydrophobicContact CG-CD 4.49Å
112A93.3Very high90.1Very high8 Ų853.6 Ų53.67%0.06629%0.29CS..Hα-helixtrans-65.5-14.9179.200000114.2L77 K79 V108 L110 I206L77-A112 HydrophobicContact CD1-CB 3.63Å; L77-A112 HydrophobicContact CD2-CB 4.02Å; K79-A112 PolarHBondContact NZ-O 3.16Å; V108-A112 WeakPolarHBondContact O-CB 3.28Å; V108-A112 PolarHBondContact O-N 3.04Å; L110-A112 PolarHBondContact O-N 3.49Å; A112-I206 HydrophobicContact CB-CD1 3.81Å; A112-I206 HydrophobicContact CB-CG1 4.32Å
113N90.2Very high89.9Confident63 Ų6354.9 Ų54.934%0.33730%0.298SS..THydrogen-bonded Turntrans-105.511.8174.6-69.7-60000112.9K79 H109 L110 F111 V115K79-N113 PolarHBondContact NZ-OD1 2.92Å; H109-N113 PolarHBondContact O-N 2.96Å; H109-N113 PolarHBondContact O-ND2 3.4Å; L110-N113 CarbonylContact O-C 3.44Å; L110-N113 PolarHBondContact O-N 3.36Å; L110-N113 VanDerWaalsContact O-N 3.08Å; F111-N113 PolarHBondContact O-N 3.24Å; F111-N113 VanDerWaalsContact O-N 3.13Å; N113-V115 HydrophobicContact CB-CG2 4.05Å; N113-V115 PolarHBondContact O-N 3.46Å
114N89.8Confident89.8Confident153 Ų15355.8 Ų55.882%0.81830%0.303SS*.THydrogen-bonded Turntrans5633.3-176.6-57.3-52.9000113.1L110 F111L110-N114 PolarHBondContact O-N 3.03Å; F111-N114 PolarHBondContact O-N 3.32Å
115V88.5Confident89.9Confident57 Ų5755.8 Ų55.835%0.34530%0.303SS..  trans-102.1149.4176.7-1750000109.3L110 N113 T117 M119L110-V115 CarbonylContact C-O 3.57Å; L110-V115 HydrophobicContact CB-CB 4.28Å; L110-V115 HydrophobicContact CD2-CB 3.98Å; L110-V115 HydrophobicContact CD2-CG1 3.76Å; L110-V115 PolarHBondContact O-N 3.49Å; N113-V115 HydrophobicContact CB-CG2 4.05Å; N113-V115 PolarHBondContact O-N 3.46Å; V115-T117 PolarHBondContact O-N 3.31Å; V115-M119 HydrophobicContact CG1-CG 4.49Å; V115-M119 HydrophobicContact CG1-SD 3.33Å; V115-M119 WeakPolarHBondContact CG1-SD 3.48Å
116S85.1Confident89.9Confident72 Ų7260.2 Ų60.250%0.50332%0.323SS..  trans-56.9127.2176-178.60000111.1E118S116-E118 PolarHBondContact O-N 2.9Å; S116-E118 PolarHBondContact OG-N 3.38Å
117T81.4Confident90Very high67 Ų6764.8 Ų64.841%0.41134%0.344SS..THydrogen-bonded Turntrans-74.4-4.2-179.463.70000114.1S107 F111 V115S107-T117 WeakPolarHBondContact O-CG2 3.44Å; F111-T117 HydrophobicContact CB-CG2 3.96Å; V115-T117 PolarHBondContact O-N 3.31Å
118E77Confident90.2Very high148 Ų14864.1 Ų64.169%0.69234%0.338SS*.THydrogen-bonded Turntrans-100.58.4-178.8-59.9-172.5163.200113.4S116 E120S116-E118 PolarHBondContact O-N 2.9Å; S116-E118 PolarHBondContact OG-N 3.38Å; E118-E120 PolarHBondContact O-N 3.26Å
119M77.8Confident90.3Very high95 Ų9566.6 Ų66.647%0.46835%0.35SS..  trans-63135.5176.1-72.9-173.267.100111.4L110 V115 P123L110-M119 HydrophobicContact CD1-CB 4.39Å; V115-M119 HydrophobicContact CG1-CG 4.49Å; V115-M119 HydrophobicContact CG1-SD 3.33Å; V115-M119 WeakPolarHBondContact CG1-SD 3.48Å; M119-P123 HydrophobicContact CE-CG 4.25Å
120E77.4Confident90.5Very high192 Ų19271.8 Ų71.890%0.89737%0.374SS*.SBendtrans-73.6149.7169.9-66.5-173172.100110.8E118E118-E120 PolarHBondContact O-N 3.26Å
121G85.9Confident90.6Very high42 Ų4276.2 Ų76.243%0.43339%0.393SS..SBendtrans83.8-167.7-176.700000113.6P123G121-P123 VanDerWaalsContact C-CD 3.44Å
122F92.3Very high90.8Very high118 Ų11873.9 Ų73.952%0.51838%0.383SS..  trans-129.456-179.9-56.7-76.9000112H106 V124 F125 E126H106-F122 HydrophobicContact CB-CD1 3.85Å; H106-F122 HydrophobicContact CB-CE1 4.3Å; H106-F122 AromaticContact CD2-CD1 3.97Å; H106-F122 VanDerWaalsContact CE1-CA 3.49Å; H106-F122 WeakPolarHBondContact CE1-CA 3.44Å; H106-F122 AromaticContact CG-CD1 3.68Å; F122-V124 VanDerWaalsContact C-N 3.33Å; F122-V124 PolarHBondContact O-N 3.04Å; F122-V124 VanDerWaalsContact O-N 3.15Å; F122-F125 HydrophobicContact CB-CB 4Å; F122-F125 HydrophobicContact CB-CD2 4.07Å; F122-F125 HydrophobicContact CB-CG 4.31Å; F122-F125 HydrophobicContact CD1-CD2 4.27Å; F122-F125 HydrophobicContact CG-CD2 4.38Å; F122-F125 WeakPolarHBondContact O-CA 3.49Å; F122-F125 WeakPolarHBondContact O-CB 3.49Å; F122-F125 PolarHBondContact O-N 2.87Å; F122-E126 PolarHBondContact N-OE1 3.49Å; F122-E126 PolarHBondContact O-N 2.82Å
123P93.7Very high91.1Very high27 Ų2774.1 Ų74.118%0.17538%0.384CS..Hα-helixtrans-57.2-38.4-168.322-35.8000114.6H106 L110 M119 G121 F125 Q127H106-P123 WeakPolarHBondContact NE2-CD 3.42Å; L110-P123 HydrophobicContact CD2-CG 4.29Å; M119-P123 HydrophobicContact CE-CG 4.25Å; G121-P123 VanDerWaalsContact C-CD 3.44Å; P123-F125 VanDerWaalsContact C-N 3.31Å; P123-F125 PolarHBondContact O-N 2.89Å; P123-Q127 VanDerWaalsContact O-CB 3.32Å; P123-Q127 WeakPolarHBondContact O-CB 3.47Å; P123-Q127 WeakPolarHBondContact O-CG 3.5Å; P123-Q127 PolarHBondContact O-N 2.97Å
124V94.3Very high91.5Very high25 Ų2576.7 Ų76.715%0.15239%0.394CS..Hα-helixtrans-63.3-36.4174.2-175.20000112.3H106 H109 L110 F122 F128H106-V124 PolarHBondContact CE1-N 3.33Å; H109-V124 HydrophobicContact CB-CB 4.43Å; H109-V124 HydrophobicContact CB-CG1 4.09Å; H109-V124 HydrophobicContact CB-CG2 4.48Å; L110-V124 HydrophobicContact CD2-CG2 3.78Å; L110-V124 HydrophobicContact CG-CG2 4.46Å; F122-V124 VanDerWaalsContact C-N 3.33Å; F122-V124 PolarHBondContact O-N 3.04Å; F122-V124 VanDerWaalsContact O-N 3.15Å; V124-F128 WeakPolarHBondContact O-CB 3.49Å; V124-F128 PolarHBondContact O-N 3.24Å
125F97Very high91.9Very high7 Ų771.3 Ų71.33%0.03136%0.362CS..Hα-helixtrans-75-45.6178.7-67.7-7.1000110.4L78 T102 H106 H109 F122 P123 Q127 F128 E129 V145 H147L78-F125 HydrophobicContact CD1-CD1 4.41Å; L78-F125 HydrophobicContact CD1-CE1 4.36Å; T102-F125 HydrophobicContact CG2-CE1 3.88Å; T102-F125 HydrophobicContact CG2-CZ 3.63Å; H106-F125 HydrophobicContact CB-CE1 4.49Å; H106-F125 HydrophobicContact CB-CE2 3.89Å; H106-F125 HydrophobicContact CB-CZ 3.88Å; H106-F125 AromaticContact ND1-CD1 3.58Å; H106-F125 AromaticContact ND1-CD2 3.79Å; H106-F125 AromaticContact ND1-CE1 3.69Å; H106-F125 AromaticContact ND1-CE2 3.89Å; H106-F125 AromaticContact ND1-CG 3.64Å; H106-F125 AromaticContact ND1-CZ 3.85Å; H109-F125 AromaticContact CD2-CE1 3.52Å; H109-F125 AromaticContact CD2-CZ 3.92Å; H109-F125 AromaticContact NE2-CE1 3.73Å; F122-F125 HydrophobicContact CB-CB 4Å; F122-F125 HydrophobicContact CB-CD2 4.07Å; F122-F125 HydrophobicContact CB-CG 4.31Å; F122-F125 HydrophobicContact CD1-CD2 4.27Å; F122-F125 HydrophobicContact CG-CD2 4.38Å; F122-F125 WeakPolarHBondContact O-CA 3.49Å; F122-F125 WeakPolarHBondContact O-CB 3.49Å; F122-F125 PolarHBondContact O-N 2.87Å; P123-F125 VanDerWaalsContact C-N 3.31Å; P123-F125 PolarHBondContact O-N 2.89Å; F125-Q127 PolarHBondContact O-N 3.29Å; F125-F128 CarbonylContact O-C 3.59Å; F125-F128 WeakPolarHBondContact O-CA 3.43Å; F125-F128 WeakPolarHBondContact O-CB 3.27Å; F125-F128 PolarHBondContact O-N 2.59Å; F125-E129 WeakPolarHBondContact O-CG 3.36Å; F125-E129 PolarHBondContact O-N 3.19Å; F125-V145 HydrophobicContact CB-CB 3.9Å; F125-V145 HydrophobicContact CB-CG1 3.77Å; F125-V145 HydrophobicContact CD1-CG1 3.65Å; F125-V145 HydrophobicContact CD2-CG1 4.22Å; F125-V145 HydrophobicContact CE1-CG1 4.25Å; F125-V145 HydrophobicContact CG-CB 4.27Å; F125-V145 HydrophobicContact CG-CG1 3.63Å; F125-H147 HydrophobicContact CE2-CB 4.04Å; F125-H147 HydrophobicContact CZ-CB 4.27Å
126E96.5Very high92.3Very high96 Ų9669.7 Ų69.745%0.44935%0.351SS..Hα-helixtrans-56.6-46.2174.8-67.2162.9-159.500111.6F122 F128 E129 E130F122-E126 PolarHBondContact N-OE1 3.49Å; F122-E126 PolarHBondContact O-N 2.82Å; E126-F128 VanDerWaalsContact C-N 3.26Å; E126-F128 PolarHBondContact O-N 3.42Å; E126-E129 WeakPolarHBondContact O-CB 3.38Å; E126-E129 PolarHBondContact O-N 3.46Å; E126-E130 PolarHBondContact O-N 3.35Å; E126-E130 VanDerWaalsContact O-N 3.09Å
127Q96.1Very high92.9Very high111 Ų11169.4 Ų69.452%0.51936%0.36SS..Hα-helixtrans-63.1-31.6174.6-74.3171.621.700113.1P123 F125 K131P123-Q127 VanDerWaalsContact O-CB 3.32Å; P123-Q127 WeakPolarHBondContact O-CB 3.47Å; P123-Q127 WeakPolarHBondContact O-CG 3.5Å; P123-Q127 PolarHBondContact O-N 2.97Å; F125-Q127 PolarHBondContact O-N 3.29Å; Q127-K131 WeakPolarHBondContact O-CG 3.47Å; Q127-K131 PolarHBondContact O-N 2.62Å
128F97.9Very high93.6Very high8 Ų868.7 Ų68.74%0.03535%0.353CS..Hα-helixtrans-76.2-34.7177-160.1-98.8000111.3L78 V83 I86 V100 V124 F125 E126 E130 K131 L132 W135 V145L78-F128 HydrophobicContact CB-CD2 4.38Å; L78-F128 HydrophobicContact CB-CE2 4.35Å; L78-F128 HydrophobicContact CD1-CD1 4.1Å; L78-F128 HydrophobicContact CD1-CE1 4.4Å; L78-F128 HydrophobicContact CD1-CG 4.31Å; L78-F128 HydrophobicContact CD2-CE1 4.41Å; V83-F128 HydrophobicContact CB-CE2 4.31Å; V83-F128 HydrophobicContact CG1-CE2 3.93Å; V83-F128 HydrophobicContact CG1-CZ 4.43Å; V83-F128 HydrophobicContact CG2-CE2 3.6Å; V83-F128 HydrophobicContact CG2-CZ 4.12Å; I86-F128 HydrophobicContact CD1-CE1 4.17Å; I86-F128 HydrophobicContact CD1-CZ 4.05Å; I86-F128 HydrophobicContact CG2-CZ 4.43Å; V100-F128 HydrophobicContact CG2-CE1 4.18Å; V124-F128 WeakPolarHBondContact O-CB 3.49Å; V124-F128 PolarHBondContact O-N 3.24Å; F125-F128 CarbonylContact O-C 3.59Å; F125-F128 WeakPolarHBondContact O-CA 3.43Å; F125-F128 WeakPolarHBondContact O-CB 3.27Å; F125-F128 PolarHBondContact O-N 2.59Å; E126-F128 VanDerWaalsContact C-N 3.26Å; E126-F128 PolarHBondContact O-N 3.42Å; F128-E130 VanDerWaalsContact C-N 3.34Å; F128-E130 PolarHBondContact O-N 2.92Å; F128-K131 PolarHBondContact O-N 2.99Å; F128-L132 HydrophobicContact CD1-CD1 3.92Å; F128-L132 HydrophobicContact CD1-CD2 4.47Å; F128-L132 HydrophobicContact CD1-CG 4.03Å; F128-L132 HydrophobicContact CE1-CD1 4.15Å; F128-L132 HydrophobicContact CE1-CD2 3.98Å; F128-L132 HydrophobicContact CE1-CG 4.05Å; F128-L132 VanDerWaalsContact O-CG 3.28Å; F128-L132 WeakPolarHBondContact O-CG 3.5Å; F128-L132 PolarHBondContact O-N 2.87Å; F128-W135 AromaticContact CE2-CH2 3.84Å; F128-W135 HydrophobicContact CE2-CH2 3.84Å; F128-W135 HydrophobicContact CE2-CZ3 4.26Å; F128-W135 AromaticContact CZ-CH2 3.97Å; F128-W135 HydrophobicContact CZ-CH2 3.97Å; F128-W135 AromaticContact CZ-CZ3 3.93Å; F128-W135 HydrophobicContact CZ-CZ3 3.93Å; F128-V145 HydrophobicContact CB-CG2 4.15Å; F128-V145 HydrophobicContact CD1-CG2 3.72Å; F128-V145 HydrophobicContact CG-CG2 4.42Å
129E98.6Very high94.5Very high56 Ų5667 Ų6726%0.26235%0.347SS..Hα-helixtrans-58.9-44.4171.1-68.7170.5171.600111.6F125 E126 K131 L132 C133 A143 E144 V145F125-E129 WeakPolarHBondContact O-CG 3.36Å; F125-E129 PolarHBondContact O-N 3.19Å; E126-E129 WeakPolarHBondContact O-CB 3.38Å; E126-E129 PolarHBondContact O-N 3.46Å; E129-K131 PolarHBondContact O-N 3.25Å; E129-L132 WeakPolarHBondContact O-CB 3.45Å; E129-L132 PolarHBondContact O-N 2.91Å; E129-C133 PolarHBondContact O-N 3.15Å; E129-C133 VanDerWaalsContact O-N 3.08Å; E129-A143 HydrophobicContact CB-CB 4.01Å; E129-A143 HydrophobicContact CG-CB 4.38Å; E129-A143 VanDerWaalsContact O-CB 3.3Å; E129-A143 WeakPolarHBondContact O-CB 3.38Å; E129-E144 WeakPolarHBondContact OE1-CA 3.4Å; E129-V145 HydrophobicContact CG-CB 3.94Å; E129-V145 HydrophobicContact CG-CG2 3.53Å; E129-V145 PolarHBondContact OE1-N 3.32Å
130E98.1Very high95.4Very high112 Ų11269.4 Ų69.452%0.52336%0.362SS..Hα-helixtrans-57.8-47.7174.3-69.8177.2174.300111.5E126 F128 L132 C133 E134E126-E130 PolarHBondContact O-N 3.35Å; E126-E130 VanDerWaalsContact O-N 3.09Å; F128-E130 VanDerWaalsContact C-N 3.34Å; F128-E130 PolarHBondContact O-N 2.92Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 3.01Å; E130-C133 WeakPolarHBondContact O-CB 3.46Å; E130-C133 PolarHBondContact O-N 3.39Å; E130-C133 VanDerWaalsContact O-N 3.16Å; E130-E134 WeakPolarHBondContact O-CG 3.49Å; E130-E134 PolarHBondContact O-N 3.16Å
131K98.3Very high96.4Very high95 Ų9563.8 Ų63.841%0.41333%0.333SS..Hα-helixtrans-61.2-39.2177-73.6177-179.7177.50113.1Q127 F128 E129 C133 E134 W135Q127-K131 WeakPolarHBondContact O-CG 3.47Å; Q127-K131 PolarHBondContact O-N 2.62Å; F128-K131 PolarHBondContact O-N 2.99Å; E129-K131 PolarHBondContact O-N 3.25Å; K131-C133 VanDerWaalsContact C-N 3.32Å; K131-C133 PolarHBondContact O-N 2.99Å; K131-E134 WeakPolarHBondContact O-CB 3.43Å; K131-E134 PolarHBondContact O-N 2.97Å; K131-W135 HydrophobicContact CB-CH2 3.94Å; K131-W135 HydrophobicContact CB-CZ2 3.76Å; K131-W135 HydrophobicContact CB-CZ3 4.45Å; K131-W135 HydrophobicContact CD-CH2 4.41Å; K131-W135 HydrophobicContact CD-CZ2 4.12Å; K131-W135 HydrophobicContact CG-CZ2 4.34Å; K131-W135 VanDerWaalsContact O-CD2 3.25Å; K131-W135 PolarHBondContact O-N 2.91Å
132L98.6Very high96.9Very high0 Ų065 Ų650%033%0.332CS..Hα-helixtrans-61.1-43.9175.7-70.1169.4000110.7I86 I90 C98 V100 F128 E129 E130 W135 M136 A143 V145I86-L132 HydrophobicContact CG2-CD2 3.79Å; I90-L132 HydrophobicContact CD1-CD2 3.33Å; C98-L132 HydrophobicContact CB-CD2 4.48Å; V100-L132 HydrophobicContact CG2-CD1 3.71Å; V100-L132 HydrophobicContact CG2-CD2 4.22Å; F128-L132 HydrophobicContact CD1-CD1 3.92Å; F128-L132 HydrophobicContact CD1-CD2 4.47Å; F128-L132 HydrophobicContact CD1-CG 4.03Å; F128-L132 HydrophobicContact CE1-CD1 4.15Å; F128-L132 HydrophobicContact CE1-CD2 3.98Å; F128-L132 HydrophobicContact CE1-CG 4.05Å; F128-L132 VanDerWaalsContact O-CG 3.28Å; F128-L132 WeakPolarHBondContact O-CG 3.5Å; F128-L132 PolarHBondContact O-N 2.87Å; E129-L132 WeakPolarHBondContact O-CB 3.45Å; E129-L132 PolarHBondContact O-N 2.91Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 3.01Å; L132-W135 HydrophobicContact CD2-CE3 4.03Å; L132-W135 HydrophobicContact CD2-CZ3 3.95Å; L132-W135 PolarHBondContact O-N 2.74Å; L132-M136 WeakPolarHBondContact O-CG 2.94Å; L132-M136 PolarHBondContact O-N 3.46Å; L132-A143 HydrophobicContact CB-CB 3.68Å; L132-A143 HydrophobicContact CD1-CB 4.03Å; L132-V145 HydrophobicContact CD1-CG2 3.82Å
133C98.4Very high97.2Very high12 Ų1260.1 Ų60.18%0.08131%0.313CS..Hα-helixtrans-63.6-40.2174.9-73.70000112.9E129 E130 K131 G137 N138 M139 Y141E129-C133 PolarHBondContact O-N 3.15Å; E129-C133 VanDerWaalsContact O-N 3.08Å; E130-C133 WeakPolarHBondContact O-CB 3.46Å; E130-C133 PolarHBondContact O-N 3.39Å; E130-C133 VanDerWaalsContact O-N 3.16Å; K131-C133 VanDerWaalsContact C-N 3.32Å; K131-C133 PolarHBondContact O-N 2.99Å; C133-G137 PolarHBondContact O-N 3.39Å; C133-N138 PolarHBondContact O-N 3.42Å; C133-M139 HydrophobicContact CB-CE 4.06Å; C133-M139 HydrophobicContact CB-SD 3.75Å; C133-Y141 PolarHBondContact SG-O 3.27Å; C133-Y141 VanDerWaalsContact SG-O 3.42Å
134E98.1Very high97.5Very high118 Ų11861.1 Ų61.155%0.55132%0.315SS*.Hα-helixtrans-60.4-47173-70.7176.9174.100111.7E130 K131 G137 M139E130-E134 WeakPolarHBondContact O-CG 3.49Å; E130-E134 PolarHBondContact O-N 3.16Å; K131-E134 WeakPolarHBondContact O-CB 3.43Å; K131-E134 PolarHBondContact O-N 2.97Å; E134-G137 WeakPolarHBondContact O-CA 3.48Å; E134-G137 PolarHBondContact O-N 2.98Å; E134-M139 HydrophobicContact CG-SD 3.84Å
135W98.4Very high97.7Very high39 Ų3960.3 Ų60.315%0.14831%0.31CS..Hα-helixtrans-69.3-33.7-179.4-59.6-22.7000113.1V83 I86 K87 I90 L91 F128 K131 L132 G137V83-W135 HydrophobicContact CG1-CH2 3.58Å; V83-W135 HydrophobicContact CG1-CZ2 4.07Å; I86-W135 HydrophobicContact CG2-CZ3 4.06Å; K87-W135 HydrophobicContact CB-CD2 4.03Å; K87-W135 HydrophobicContact CB-CE3 4.01Å; K87-W135 HydrophobicContact CB-CH2 4.36Å; K87-W135 HydrophobicContact CB-CZ2 4.32Å; K87-W135 HydrophobicContact CB-CZ3 4.18Å; K87-W135 HydrophobicContact CD-CD2 4.39Å; K87-W135 HydrophobicContact CD-CZ2 4.25Å; K87-W135 HydrophobicContact CG-CD2 3.82Å; K87-W135 HydrophobicContact CG-CE3 4.3Å; K87-W135 HydrophobicContact CG-CG 4.06Å; K87-W135 HydrophobicContact CG-CZ2 4.4Å; I90-W135 HydrophobicContact CB-CB 4.45Å; I90-W135 HydrophobicContact CD1-CE3 4Å; I90-W135 HydrophobicContact CG2-CB 3.75Å; L91-W135 HydrophobicContact CD2-CB 4.5Å; F128-W135 AromaticContact CE2-CH2 3.84Å; F128-W135 HydrophobicContact CE2-CH2 3.84Å; F128-W135 HydrophobicContact CE2-CZ3 4.26Å; F128-W135 AromaticContact CZ-CH2 3.97Å; F128-W135 HydrophobicContact CZ-CH2 3.97Å; F128-W135 AromaticContact CZ-CZ3 3.93Å; F128-W135 HydrophobicContact CZ-CZ3 3.93Å; K131-W135 HydrophobicContact CB-CH2 3.94Å; K131-W135 HydrophobicContact CB-CZ2 3.76Å; K131-W135 HydrophobicContact CB-CZ3 4.45Å; K131-W135 HydrophobicContact CD-CH2 4.41Å; K131-W135 HydrophobicContact CD-CZ2 4.12Å; K131-W135 HydrophobicContact CG-CZ2 4.34Å; K131-W135 VanDerWaalsContact O-CD2 3.25Å; K131-W135 PolarHBondContact O-N 2.91Å; L132-W135 HydrophobicContact CD2-CE3 4.03Å; L132-W135 HydrophobicContact CD2-CZ3 3.95Å; L132-W135 PolarHBondContact O-N 2.74Å; W135-G137 PolarHBondContact O-N 3.35Å
136M97.9Very high97.7Very high23 Ų2362.2 Ų62.211%0.11332%0.32CS..THydrogen-bonded Turntrans-70.9-8.7170.3-64.7-174.7-7700112.7I90 F95 C98 L132 Y141 T142 A143I90-M136 HydrophobicContact CG2-CB 4.48Å; I90-M136 HydrophobicContact CG2-CG 3.77Å; F95-M136 HydrophobicContact CB-CG 4.21Å; F95-M136 HydrophobicContact CB-SD 3.9Å; C98-M136 HydrophobicContact CB-CE 4.27Å; C98-M136 HydrophobicContact CB-SD 4.16Å; L132-M136 WeakPolarHBondContact O-CG 2.94Å; L132-M136 PolarHBondContact O-N 3.46Å; M136-Y141 HydrophobicContact CB-CD2 3.65Å; M136-Y141 HydrophobicContact CB-CE2 4.26Å; M136-Y141 HydrophobicContact SD-CD2 4.31Å; M136-T142 WeakPolarHBondContact CE-O 3.3Å; M136-A143 HydrophobicContact CE-CB 4.39Å
137G96.9Very high97.7Very high66 Ų6659.8 Ų59.868%0.6831%0.309SS*.THydrogen-bonded Turntrans81.49.9173.700000115.3C133 E134 W135C133-G137 PolarHBondContact O-N 3.39Å; E134-G137 WeakPolarHBondContact O-CA 3.48Å; E134-G137 PolarHBondContact O-N 2.98Å; W135-G137 PolarHBondContact O-N 3.35Å
138N96Very high97.6Very high53 Ų5354.6 Ų54.628%0.28328%0.284SS..  trans-152.6117178.9-173.8-9.8000111.6C133 N140 Y141C133-N138 PolarHBondContact O-N 3.42Å; N138-N140 PolarHBondContact O-N 3.21Å; N138-N140 VanDerWaalsContact O-N 3.12Å; N138-N140 WeakPolarHBondContact OD1-CB 3.48Å; N138-N140 PolarHBondContact OD1-N 3.13Å; N138-N140 PolarHBondContact OD1-ND2 3.33Å; N138-N140 VanDerWaalsContact OD1-ND2 3.07Å; N138-Y141 HydrophobicContact CB-CD1 4.09Å; N138-Y141 HydrophobicContact CB-CD2 3.59Å; N138-Y141 HydrophobicContact CB-CE1 4.02Å; N138-Y141 HydrophobicContact CB-CE2 3.53Å; N138-Y141 HydrophobicContact CB-CG 3.88Å; N138-Y141 WeakPolarHBondContact ND2-CE1 3.42Å; N138-Y141 WeakPolarHBondContact O-CB 3.48Å; N138-Y141 PolarHBondContact O-N 3.42Å
139M96.1Very high97.4Very high112 Ų11254.4 Ų54.455%0.55228%0.284SS*.THydrogen-bonded Turntrans-67-10.8178.9-62.5-54.6-67.300114.5C133 E134C133-M139 HydrophobicContact CB-CE 4.06Å; C133-M139 HydrophobicContact CB-SD 3.75Å; E134-M139 HydrophobicContact CG-SD 3.84Å
140N96.3Very high97.2Very high146 Ų14651.8 Ų51.878%0.78127%0.272SS*.THydrogen-bonded Turntrans-87.6-4.4173.5-57.1-64.5000113.3N138N138-N140 PolarHBondContact O-N 3.21Å; N138-N140 VanDerWaalsContact O-N 3.12Å; N138-N140 WeakPolarHBondContact OD1-CB 3.48Å; N138-N140 PolarHBondContact OD1-N 3.13Å; N138-N140 PolarHBondContact OD1-ND2 3.33Å; N138-N140 VanDerWaalsContact OD1-ND2 3.07Å
141Y98Very high97Very high74 Ų7446.7 Ų46.729%0.2925%0.248SC..SBendtrans-73.6168.1172.4-69.2-17.5000111.5Q96 C133 M136 N138Q96-Y141 HydrophobicContact CB-CD1 4.01Å; Q96-Y141 HydrophobicContact CB-CD2 4.48Å; Q96-Y141 HydrophobicContact CB-CE1 4.06Å; Q96-Y141 HydrophobicContact CB-CG 4.25Å; Q96-Y141 HydrophobicContact CG-CD1 4.33Å; Q96-Y141 HydrophobicContact CG-CE1 3.86Å; Q96-Y141 HydrophobicContact CG-CE2 4.19Å; Q96-Y141 WeakPolarHBondContact O-CB 3.41Å; C133-Y141 PolarHBondContact SG-O 3.27Å; C133-Y141 VanDerWaalsContact SG-O 3.42Å; M136-Y141 HydrophobicContact CB-CD2 3.65Å; M136-Y141 HydrophobicContact CB-CE2 4.26Å; M136-Y141 HydrophobicContact SD-CD2 4.31Å; N138-Y141 HydrophobicContact CB-CD1 4.09Å; N138-Y141 HydrophobicContact CB-CD2 3.59Å; N138-Y141 HydrophobicContact CB-CE1 4.02Å; N138-Y141 HydrophobicContact CB-CE2 3.53Å; N138-Y141 HydrophobicContact CB-CG 3.88Å; N138-Y141 WeakPolarHBondContact ND2-CE1 3.42Å; N138-Y141 WeakPolarHBondContact O-CB 3.48Å; N138-Y141 PolarHBondContact O-N 3.42Å
142T98.3Very high96.8Very high68 Ų6842.4 Ų42.442%0.41723%0.23SC..EExtended strand (participates in β ladder)trans-101126.6-175.9-53.30000110.4Q96 Y97 C98 M136Q96-T142 PolarHBondContact O-N 3.11Å; Q96-T142 VanDerWaalsContact O-N 3.11Å; Y97-T142 CarbonylContact C-O 3.58Å; Y97-T142 VanDerWaalsContact CA-O 3.26Å; Y97-T142 WeakPolarHBondContact CA-O 3.41Å; Y97-T142 HydrophobicContact CD2-CG2 3.62Å; Y97-T142 WeakPolarHBondContact CD2-O 3.27Å; Y97-T142 HydrophobicContact CE2-CG2 3.45Å; Y97-T142 VanDerWaalsContact CE2-CG2 3.45Å; Y97-T142 HydrophobicContact CG-CG2 4.33Å; C98-T142 PolarHBondContact N-O 3.35Å; M136-T142 WeakPolarHBondContact CE-O 3.3Å
143A98.5Very high96.5Very high15 Ų1542.4 Ų42.412%0.12423%0.23CC..EExtended strand (participates in β ladder)trans-126.1139.4169.400000109.4C98 E129 L132 M136C98-A143 VanDerWaalsContact O-CA 3.3Å; C98-A143 WeakPolarHBondContact O-CA 3.44Å; E129-A143 HydrophobicContact CB-CB 4.01Å; E129-A143 HydrophobicContact CG-CB 4.38Å; E129-A143 VanDerWaalsContact O-CB 3.3Å; E129-A143 WeakPolarHBondContact O-CB 3.38Å; L132-A143 HydrophobicContact CB-CB 3.68Å; L132-A143 HydrophobicContact CD1-CB 4.03Å; M136-A143 HydrophobicContact CE-CB 4.39Å
144E98.5Very high96.1Very high47 Ų4743.8 Ų43.822%0.2224%0.235CC..EExtended strand (participates in β ladder)trans-138135.4173.4-68.6180-94.300109.9K21 Y97 C98 V99 V100 E129 M146K21-E144 IonicContact NZ-OE1 3Å; K21-E144 PolarHBondContact NZ-OE1 3.13Å; K21-E144 IonicContact NZ-OE2 3.5Å; K21-E144 PolarHBondContact NZ-OE2 3.07Å; Y97-E144 HydrophobicContact CE2-CG 4.48Å; Y97-E144 WeakPolarHBondContact CE2-OE1 3.24Å; Y97-E144 VanDerWaalsContact CZ-OE1 3.3Å; Y97-E144 PolarHBondContact OH-OE1 3.42Å; C98-E144 PolarHBondContact O-N 2.99Å; V99-E144 CarbonylContact C-O 3.51Å; V99-E144 WeakPolarHBondContact CA-O 3.3Å; V99-E144 HydrophobicContact CG1-CB 4.32Å; V99-E144 HydrophobicContact CG2-CB 4.46Å; V100-E144 PolarHBondContact N-O 3.18Å; E129-E144 WeakPolarHBondContact OE1-CA 3.4Å; E144-M146 HydrophobicContact CB-CE 4.25Å
145V98.5Very high95.9Very high8 Ų838.4 Ų38.45%0.04821%0.21CC..EExtended strand (participates in β ladder)trans-125.1121.3177-1800000108.9L78 V100 F125 F128 E129 L132L78-V145 HydrophobicContact CD1-CG1 3.56Å; V100-V145 HydrophobicContact CB-CG2 4.2Å; V100-V145 WeakPolarHBondContact O-CA 3.42Å; F125-V145 HydrophobicContact CB-CB 3.9Å; F125-V145 HydrophobicContact CB-CG1 3.77Å; F125-V145 HydrophobicContact CD1-CG1 3.65Å; F125-V145 HydrophobicContact CD2-CG1 4.22Å; F125-V145 HydrophobicContact CE1-CG1 4.25Å; F125-V145 HydrophobicContact CG-CB 4.27Å; F125-V145 HydrophobicContact CG-CG1 3.63Å; F128-V145 HydrophobicContact CB-CG2 4.15Å; F128-V145 HydrophobicContact CD1-CG2 3.72Å; F128-V145 HydrophobicContact CG-CG2 4.42Å; E129-V145 HydrophobicContact CG-CB 3.94Å; E129-V145 HydrophobicContact CG-CG2 3.53Å; E129-V145 PolarHBondContact OE1-N 3.32Å; L132-V145 HydrophobicContact CD1-CG2 3.82Å
146M97.3Very high95.5Very high48 Ų4836.6 Ų36.624%0.23620%0.203CC..EExtended strand (participates in β ladder)trans-133.8148.3-173.1-67.5173-76.900111.7K21 V99 V100 F101 T102 E144K21-M146 HydrophobicContact CD-CE 4.43Å; K21-M146 HydrophobicContact CG-CE 4.12Å; V99-M146 HydrophobicContact CG1-CE 3.26Å; V100-M146 PolarHBondContact O-N 2.75Å; F101-M146 WeakPolarHBondContact CA-O 3.34Å; F101-M146 HydrophobicContact CD1-CB 3.93Å; F101-M146 HydrophobicContact CD1-CE 4.39Å; F101-M146 HydrophobicContact CE1-CB 3.85Å; F101-M146 HydrophobicContact CE1-CE 3.62Å; F101-M146 HydrophobicContact CE1-SD 3.98Å; F101-M146 HydrophobicContact CE2-CE 3.81Å; F101-M146 HydrophobicContact CZ-CE 3.29Å; F101-M146 HydrophobicContact CZ-SD 4.09Å; T102-M146 PolarHBondContact N-O 3.36Å; E144-M146 HydrophobicContact CB-CE 4.25Å
147H95.9Very high95Very high45 Ų4541.5 Ų41.521%0.20823%0.226CC..EExtended strand (participates in β ladder)trans-88.8128168167-113.7000110.7T102 F125T102-H147 WeakPolarHBondContact O-CA 3.34Å; T102-H147 PolarHBondContact O-CD2 3.14Å; F125-H147 HydrophobicContact CE2-CB 4.04Å; F125-H147 HydrophobicContact CZ-CB 4.27Å
148S95.1Very high94.7Very high1 Ų139.6 Ų39.61%0.00720%0.199CC..  trans-140121164.3-152.40000110M14 T102 A103 V150M14-S148 PolarHBondContact O-OG 2.88Å; T102-S148 PolarHBondContact O-N 2.92Å; A103-S148 WeakPolarHBondContact CA-O 3.46Å; S148-V150 PolarHBondContact O-N 2.79Å
149P93.7Very high94.6Very high5 Ų537 Ų373%0.03219%0.186CC..  trans-80.765-173.334.2-35.8000111.2M14 V151 A214M14-P149 HydrophobicContact CG-CG 4.2Å; M14-P149 HydrophobicContact SD-CG 3.66Å; P149-V151 PolarHBondContact O-N 3.04Å; P149-A214 HydrophobicContact CB-CB 4.15Å
150V94.7Very high94.6Very high1 Ų132.1 Ų32.11%0.00616%0.162CC..THydrogen-bonded Turntrans-7951.2-179.6-68.50000112.1M14 W15 V18 A36 V73 A103 S148M14-V150 HydrophobicContact CB-CG1 4.37Å; M14-V150 WeakPolarHBondContact O-CG1 3.45Å; W15-V150 HydrophobicContact CD2-CB 4.08Å; W15-V150 HydrophobicContact CD2-CG1 3.65Å; W15-V150 HydrophobicContact CE3-CB 4.44Å; W15-V150 HydrophobicContact CE3-CG1 3.93Å; W15-V150 HydrophobicContact CG-CG1 4.02Å; W15-V150 HydrophobicContact CH2-CB 3.93Å; W15-V150 HydrophobicContact CH2-CG1 4.29Å; W15-V150 HydrophobicContact CH2-CG2 3.99Å; W15-V150 HydrophobicContact CZ2-CB 3.56Å; W15-V150 HydrophobicContact CZ2-CG1 4.09Å; W15-V150 HydrophobicContact CZ2-CG2 4.07Å; W15-V150 HydrophobicContact CZ3-CB 4.38Å; W15-V150 HydrophobicContact CZ3-CG1 4.25Å; W15-V150 HydrophobicContact CZ3-CG2 4.47Å; V18-V150 HydrophobicContact CG2-CG1 4.19Å; A36-V150 WeakPolarHBondContact CB-O 3.25Å; V73-V150 HydrophobicContact CG1-CG2 3.83Å; A103-V150 HydrophobicContact CB-CG2 4.39Å; S148-V150 PolarHBondContact O-N 2.79Å
151V93.5Very high94.5Very high4 Ų425.2 Ų25.22%0.02413%0.125CC..THydrogen-bonded Turntrans-109.8-14.2-171.8-56.60000114.1A103 P149 A162 S163 P164 F165 A214A103-V151 HydrophobicContact CB-CG1 3.62Å; P149-V151 PolarHBondContact O-N 3.04Å; V151-A162 CarbonylContact O-C 3.2Å; V151-A162 WeakPolarHBondContact O-CA 3.44Å; V151-S163 PolarHBondContact O-N 2.9Å; V151-P164 HydrophobicContact CB-CG 3.86Å; V151-P164 HydrophobicContact CG1-CG 4.04Å; V151-P164 WeakPolarHBondContact O-CD 3.42Å; V151-F165 HydrophobicContact CB-CE2 3.9Å; V151-F165 HydrophobicContact CG1-CE2 4.09Å; V151-F165 HydrophobicContact CG2-CE2 3.96Å; V151-A214 HydrophobicContact CG2-CB 3.45Å; V151-A214 VanDerWaalsContact CG2-CB 3.45Å
152F94.2Very high94.4Very high6 Ų621.7 Ų21.73%0.02611%0.111CC..  trans-96.6142179.8-64.4-66.3000110.6P11 I160 V161 A162 A214 L215 M218 L664P11-F152 HydrophobicContact CB-CB 4.23Å; P11-F152 WeakPolarHBondContact CB-O 3.42Å; P11-F152 HydrophobicContact CG-CB 4.03Å; F152-I160 HydrophobicContact CB-CG2 3.76Å; F152-I160 HydrophobicContact CD1-CG2 3.87Å; F152-I160 HydrophobicContact CG-CG2 4.11Å; F152-V161 CarbonylContact C-O 3.54Å; F152-V161 VanDerWaalsContact CA-O 3.31Å; F152-V161 WeakPolarHBondContact CA-O 3.37Å; F152-A162 HydrophobicContact CD1-CB 3.84Å; F152-A162 HydrophobicContact CE1-CB 3.73Å; F152-A214 HydrophobicContact CE2-CB 3.76Å; F152-A214 HydrophobicContact CZ-CB 4.03Å; F152-L215 HydrophobicContact CE1-CD2 4.2Å; F152-L215 HydrophobicContact CZ-CD2 3.76Å; F152-L215 HydrophobicContact CZ-CG 4.04Å; F152-M218 HydrophobicContact CD2-SD 4.43Å; F152-M218 HydrophobicContact CE2-CB 4.18Å; F152-M218 HydrophobicContact CE2-SD 4.39Å; F152-L664 HydrophobicContact CE1-CD2 4.37Å
153A92.4Very high93.9Very high0 Ų018.7 Ų18.70%09%0.093CC..EExtended strand (participates in β ladder)trans-123.9128.2174.400000109.4W39 V155 I160 V161W39-A153 HydrophobicContact CB-CB 3.62Å; W39-A153 HydrophobicContact CG-CB 4.04Å; A153-V155 PolarHBondContact O-N 3.19Å; A153-I160 CarbonylContact O-C 3.53Å; A153-I160 WeakPolarHBondContact O-CA 3.37Å; A153-V161 HydrophobicContact CB-CG2 3.63Å; A153-V161 PolarHBondContact N-O 3.37Å; A153-V161 PolarHBondContact O-N 2.84Å
154H90.3Very high93.6Very high41 Ų4118.2 Ų18.219%0.199%0.089CC..EExtended strand (participates in β ladder)trans-83.898.9174.2174.3-94.5000109.7T8 P11 S156T8-H154 VanDerWaalsContact CB-CD2 3.46Å; T8-H154 WeakPolarHBondContact CB-CD2 3.46Å; T8-H154 VanDerWaalsContact CB-NE2 3.25Å; T8-H154 WeakPolarHBondContact CB-NE2 3.4Å; T8-H154 WeakPolarHBondContact CG2-NE2 3.34Å; P11-H154 HydrophobicContact CG-CB 4.15Å; H154-S156 PolarHBondContact CD2-O 3.07Å; H154-S156 VanDerWaalsContact CD2-O 3.32Å; H154-S156 PolarHBondContact NE2-O 3.39Å
155V92.3Very high93.5Very high4 Ų416.6 Ų16.62%0.0248%0.081CC..EExtended strand (participates in β ladder)trans-85.3-34.5-177.8176.10000111.3W39 A153 L159 V161 T297 W336 L668W39-V155 HydrophobicContact CD2-CG2 3.99Å; W39-V155 HydrophobicContact CE3-CB 4.28Å; W39-V155 HydrophobicContact CE3-CG1 4.24Å; W39-V155 HydrophobicContact CE3-CG2 4.14Å; W39-V155 HydrophobicContact CG-CG2 4.3Å; W39-V155 HydrophobicContact CH2-CG1 4.09Å; W39-V155 HydrophobicContact CZ3-CB 4.42Å; W39-V155 HydrophobicContact CZ3-CG1 3.88Å; A153-V155 PolarHBondContact O-N 3.19Å; V155-L159 HydrophobicContact CB-CD2 4.03Å; V155-L159 HydrophobicContact CB-CG 4.21Å; V155-L159 HydrophobicContact CG1-CD2 4.04Å; V155-L159 PolarHBondContact N-O 3.42Å; V155-L159 VanDerWaalsContact N-O 3.07Å; V155-V161 HydrophobicContact CG2-CB 4.26Å; V155-V161 HydrophobicContact CG2-CG1 3.79Å; V155-V161 HydrophobicContact CG2-CG2 3.53Å; V155-T297 HydrophobicContact CG2-CG2 4.12Å; V155-W336 HydrophobicContact CG1-CZ2 4.19Å; V155-W336 PolarHBondContact O-NE1 2.72Å; V155-L668 HydrophobicContact CG1-CD2 4.41Å
156S90.8Very high93.3Very high1 Ų116.5 Ų16.51%0.0078%0.081CC..EExtended strand (participates in β ladder)trans-157.6168.7176.276.20000111H154 Q158 L159 E337 L340H154-S156 PolarHBondContact CD2-O 3.07Å; H154-S156 VanDerWaalsContact CD2-O 3.32Å; H154-S156 PolarHBondContact NE2-O 3.39Å; S156-Q158 PolarHBondContact O-N 3.49Å; S156-Q158 PolarHBondContact OG-N 3.3Å; S156-L159 PolarHBondContact N-O 2.7Å; S156-L159 VanDerWaalsContact N-O 3.16Å; S156-L159 CarbonylContact O-C 3.59Å; S156-L159 PolarHBondContact O-N 2.83Å; S156-L159 VanDerWaalsContact OG-CB 3.29Å; S156-L159 WeakPolarHBondContact OG-CB 3.27Å; S156-L159 PolarHBondContact OG-N 3.23Å; S156-L159 VanDerWaalsContact OG-N 3.09Å; S156-E337 WeakPolarHBondContact CA-OE1 3.45Å; S156-E337 WeakPolarHBondContact CB-OE1 3.35Å; S156-E337 WeakPolarHBondContact CB-OE2 3.28Å; S156-L340 VanDerWaalsContact CB-CD1 3.49Å
157Q88.2Confident93.1Very high126 Ų12616.2 Ų16.259%0.5898%0.079SC*.THydrogen-bonded Turntrans-54.1-27.8177.7-70.5-177.2-2.800113.6E337 L662Q157-E337 HydrophobicContact CG-CG 4.44Å; Q157-E337 PolarHBondContact N-OE1 3.08Å; Q157-E337 PolarHBondContact N-OE2 2.77Å; Q157-L662 WeakPolarHBondContact O-CD2 3.21Å
158Q90.3Very high93.1Very high26 Ų2614.2 Ų14.212%0.1217%0.07CC..THydrogen-bonded Turntrans-100.8-15.9179-167.51778.100113.2S156 V663S156-Q158 PolarHBondContact O-N 3.49Å; S156-Q158 PolarHBondContact OG-N 3.3Å; Q158-V663 HydrophobicContact CG-CG2 4.38Å; Q158-V663 PolarHBondContact O-N 3.19Å
159L94.1Very high93.2Very high0 Ų014.2 Ų14.20%07%0.07CC..EExtended strand (participates in β ladder)trans-124.4123.9-170.5177.562.5000113V155 S156 V161 V640 L645 V663 L668V155-L159 HydrophobicContact CB-CD2 4.03Å; V155-L159 HydrophobicContact CB-CG 4.21Å; V155-L159 HydrophobicContact CG1-CD2 4.04Å; V155-L159 PolarHBondContact N-O 3.42Å; V155-L159 VanDerWaalsContact N-O 3.07Å; S156-L159 PolarHBondContact N-O 2.7Å; S156-L159 VanDerWaalsContact N-O 3.16Å; S156-L159 CarbonylContact O-C 3.59Å; S156-L159 PolarHBondContact O-N 2.83Å; S156-L159 VanDerWaalsContact OG-CB 3.29Å; S156-L159 WeakPolarHBondContact OG-CB 3.27Å; S156-L159 PolarHBondContact OG-N 3.23Å; S156-L159 VanDerWaalsContact OG-N 3.09Å; L159-V161 HydrophobicContact CD1-CG1 3.98Å; L159-V161 HydrophobicContact CD2-CG1 3.88Å; L159-V161 HydrophobicContact CG-CG1 3.89Å; L159-V640 HydrophobicContact CD1-CG1 3.84Å; L159-V640 HydrophobicContact CD2-CG1 4.28Å; L159-L645 HydrophobicContact CB-CD1 4.23Å; L159-L645 HydrophobicContact CB-CD2 4.15Å; L159-L645 HydrophobicContact CD1-CD2 4.17Å; L159-L645 HydrophobicContact CD2-CD1 3.73Å; L159-L645 HydrophobicContact CD2-CD2 4.36Å; L159-L645 HydrophobicContact CG-CD2 4.45Å; L159-V663 WeakPolarHBondContact CA-O 3.32Å; L159-V663 HydrophobicContact CD1-CB 4.26Å; L159-V663 HydrophobicContact CD1-CG1 4.03Å; L159-L668 HydrophobicContact CD2-CD1 3.83Å
160I95.3Very high93.4Very high9 Ų914 Ų145%0.0467%0.068CC..EExtended strand (participates in β ladder)trans-113.6128.8163.6-62.3173.1000108.6P11 F152 A153 V663 L664 S665P11-I160 HydrophobicContact CG-CD1 4.36Å; P11-I160 HydrophobicContact CG-CG2 4.28Å; F152-I160 HydrophobicContact CB-CG2 3.76Å; F152-I160 HydrophobicContact CD1-CG2 3.87Å; F152-I160 HydrophobicContact CG-CG2 4.11Å; A153-I160 CarbonylContact O-C 3.53Å; A153-I160 WeakPolarHBondContact O-CA 3.37Å; I160-V663 PolarHBondContact N-O 3.11Å; I160-L664 HydrophobicContact CB-CG 4.43Å; I160-L664 VanDerWaalsContact O-CA 3.28Å; I160-L664 WeakPolarHBondContact O-CA 3.45Å; I160-S665 PolarHBondContact O-N 3.47Å; I160-S665 VanDerWaalsContact O-N 3.08Å
161V95.6Very high93.4Very high0 Ų014 Ų140%07%0.068CC..EExtended strand (participates in β ladder)trans-105.8147.4175.1-57.50000111F152 A153 V155 L159 T297 S665F152-V161 CarbonylContact C-O 3.54Å; F152-V161 VanDerWaalsContact CA-O 3.31Å; F152-V161 WeakPolarHBondContact CA-O 3.37Å; A153-V161 HydrophobicContact CB-CG2 3.63Å; A153-V161 PolarHBondContact N-O 3.37Å; A153-V161 PolarHBondContact O-N 2.84Å; V155-V161 HydrophobicContact CG2-CB 4.26Å; V155-V161 HydrophobicContact CG2-CG1 3.79Å; V155-V161 HydrophobicContact CG2-CG2 3.53Å; L159-V161 HydrophobicContact CD1-CG1 3.98Å; L159-V161 HydrophobicContact CD2-CG1 3.88Å; L159-V161 HydrophobicContact CG-CG1 3.89Å; V161-T297 HydrophobicContact CG2-CG2 4.41Å; V161-S665 CarbonylContact C-O 3.58Å; V161-S665 VanDerWaalsContact CA-O 3.25Å; V161-S665 WeakPolarHBondContact CA-O 3.37Å
162A95.3Very high93.5Very high1 Ų114 Ų141%0.0087%0.068CC..  trans-105.365.5175.400000109.5V151 F152 P164 F165 L211 S665 T666V151-A162 CarbonylContact O-C 3.2Å; V151-A162 WeakPolarHBondContact O-CA 3.44Å; F152-A162 HydrophobicContact CD1-CB 3.84Å; F152-A162 HydrophobicContact CE1-CB 3.73Å; A162-P164 VanDerWaalsContact C-N 3.33Å; A162-P164 VanDerWaalsContact O-N 3.15Å; A162-F165 HydrophobicContact CB-CD2 3.91Å; A162-F165 WeakPolarHBondContact O-CA 3.38Å; A162-F165 WeakPolarHBondContact O-CB 3.38Å; A162-F165 PolarHBondContact O-N 3.17Å; A162-L211 HydrophobicContact CB-CD1 4.36Å; A162-S665 PolarHBondContact N-O 3.42Å; A162-T666 CarbonylContact C-O 3.59Å
163S88.4Confident93.4Very high4 Ų415.9 Ų15.93%0.0288%0.081CC..G310 helixtrans-55.1-32.4-166.356.70000115.7V151 F165 A166V151-S163 PolarHBondContact O-N 2.9Å; S163-F165 PolarHBondContact O-N 3.31Å; S163-F165 VanDerWaalsContact O-N 3.1Å; S163-A166 WeakPolarHBondContact O-CB 3.35Å; S163-A166 PolarHBondContact O-N 3.22Å
164P91.6Very high93.4Very high6 Ų617.9 Ų17.94%0.03910%0.097CC..G310 helixtrans-62.4-19.1173.8-2537.9000114.4R32 V151 A162 H167R32-P164 HydrophobicContact CB-CB 4Å; R32-P164 HydrophobicContact CB-CG 4.11Å; V151-P164 HydrophobicContact CB-CG 3.86Å; V151-P164 HydrophobicContact CG1-CG 4.04Å; V151-P164 WeakPolarHBondContact O-CD 3.42Å; A162-P164 VanDerWaalsContact C-N 3.33Å; A162-P164 VanDerWaalsContact O-N 3.15Å; P164-H167 PolarHBondContact O-CE1 3.33Å
165F95.3Very high93.6Very high13 Ų1316.5 Ų16.56%0.0579%0.091CC..G310 helixtrans-102.616.6177.6-55-80.8000112.4V151 A162 S163 H167 L168 E207 L211 T666V151-F165 HydrophobicContact CB-CE2 3.9Å; V151-F165 HydrophobicContact CG1-CE2 4.09Å; V151-F165 HydrophobicContact CG2-CE2 3.96Å; A162-F165 HydrophobicContact CB-CD2 3.91Å; A162-F165 WeakPolarHBondContact O-CA 3.38Å; A162-F165 WeakPolarHBondContact O-CB 3.38Å; A162-F165 PolarHBondContact O-N 3.17Å; S163-F165 PolarHBondContact O-N 3.31Å; S163-F165 VanDerWaalsContact O-N 3.1Å; F165-H167 PolarHBondContact O-N 3.12Å; F165-L168 HydrophobicContact CB-CB 4.3Å; F165-L168 VanDerWaalsContact O-CB 3.25Å; F165-L168 WeakPolarHBondContact O-CB 3.42Å; F165-L168 PolarHBondContact O-N 2.87Å; F165-E207 HydrophobicContact CD1-CG 3.64Å; F165-E207 HydrophobicContact CE1-CG 3.93Å; F165-E207 WeakPolarHBondContact CE1-O 3.34Å; F165-L211 HydrophobicContact CD1-CB 4.04Å; F165-L211 HydrophobicContact CD2-CD1 3.94Å; F165-L211 HydrophobicContact CE1-CB 3.78Å; F165-L211 HydrophobicContact CE2-CB 4.26Å; F165-L211 HydrophobicContact CE2-CD1 4.07Å; F165-L211 HydrophobicContact CG-CB 4.39Å; F165-L211 HydrophobicContact CG-CD1 4.3Å; F165-L211 HydrophobicContact CZ-CB 3.89Å; F165-T666 HydrophobicContact CB-CG2 4.38Å; F165-T666 VanDerWaalsContact O-CB 3.3Å; F165-T666 WeakPolarHBondContact O-CB 3.48Å; F165-T666 WeakPolarHBondContact O-CG2 3.14Å
166A94.2Very high93.7Very high6 Ų617.1 Ų17.15%0.059%0.094CC..THydrogen-bonded Turntrans-58.4-21.3-177.400000114.5S163 V296 T666 R667S163-A166 WeakPolarHBondContact O-CB 3.35Å; S163-A166 PolarHBondContact O-N 3.22Å; A166-V296 HydrophobicContact CB-CB 4.35Å; A166-V296 HydrophobicContact CB-CG2 3.49Å; A166-V296 VanDerWaalsContact CB-CG2 3.49Å; A166-T666 WeakPolarHBondContact CA-O 3.16Å; A166-R667 HydrophobicContact CB-CB 3.95Å; A166-R667 WeakPolarHBondContact O-CD 3.44Å
167H93.6Very high93.9Very high41 Ų4123.8 Ų23.819%0.1913%0.125CC..THydrogen-bonded Turntrans-89.9-11.3176.864-72.6000113.5P164 F165 F169 E207 T681 P686P164-H167 PolarHBondContact O-CE1 3.33Å; F165-H167 PolarHBondContact O-N 3.12Å; H167-F169 PolarHBondContact O-N 3.45Å; H167-E207 IonicContact CD2-OE1 3.71Å; H167-E207 IonicContact CE1-OE1 3.21Å; H167-E207 PolarHBondContact CE1-OE1 3.47Å; H167-E207 IonicContact CG-OE1 3.93Å; H167-E207 IonicContact ND1-OE1 2.92Å; H167-E207 IonicContact NE2-OE1 3.82Å; H167-E207 PolarHBondContact NE2-OE1 2.9Å; H167-E207 IonicContact NE2-OE2 3.15Å; H167-T681 HydrophobicContact CB-CG2 4.35Å; H167-P686 VanDerWaalsContact NE2-CB 3.27Å; H167-P686 WeakPolarHBondContact NE2-CB 3.4Å
168L96.3Very high94.1Very high3 Ų321 Ų212%0.01612%0.12CC..  trans-67.3107.3175.2-178.365.6000109.1F165 L204 L211 M234 I238 V637 G638 T666F165-L168 HydrophobicContact CB-CB 4.3Å; F165-L168 VanDerWaalsContact O-CB 3.25Å; F165-L168 WeakPolarHBondContact O-CB 3.42Å; F165-L168 PolarHBondContact O-N 2.87Å; L168-L204 HydrophobicContact CD1-CD1 3.87Å; L168-L211 HydrophobicContact CD2-CD2 3.62Å; L168-M234 HydrophobicContact CD1-CE 3.88Å; L168-I238 HydrophobicContact CD2-CD1 4.11Å; L168-V637 HydrophobicContact CG-CG1 4.32Å; L168-G638 PolarHBondContact O-N 3.36Å; L168-T666 HydrophobicContact CB-CG2 4.16Å; L168-T666 HydrophobicContact CD2-CG2 4.4Å
169F97Very high94.3Very high2 Ų220.3 Ų20.31%0.00912%0.117CC..  trans-125.3148.2-177.6-162.9-100.1000110.6H167 M234 R266 T267 L270 I674 L677 L678 R683H167-F169 PolarHBondContact O-N 3.45Å; F169-M234 WeakPolarHBondContact O-CE 3.33Å; F169-R266 HydrophobicContact CE2-CB 4.04Å; F169-R266 HydrophobicContact CE2-CG 3.88Å; F169-R266 HydrophobicContact CZ-CB 4.47Å; F169-R266 HydrophobicContact CZ-CG 4.31Å; F169-T267 HydrophobicContact CD1-CG2 4.48Å; F169-T267 HydrophobicContact CE1-CG2 3.62Å; F169-T267 HydrophobicContact CZ-CG2 4.03Å; F169-L270 HydrophobicContact CZ-CD2 4.04Å; F169-I674 HydrophobicContact CE2-CD1 4.26Å; F169-L677 HydrophobicContact CB-CB 4.5Å; F169-L677 HydrophobicContact CB-CD2 4.39Å; F169-L677 HydrophobicContact CD2-CB 3.67Å; F169-L677 HydrophobicContact CD2-CD1 3.82Å; F169-L677 HydrophobicContact CD2-CD2 4.33Å; F169-L677 HydrophobicContact CD2-CG 4.15Å; F169-L677 HydrophobicContact CE2-CB 3.92Å; F169-L677 HydrophobicContact CE2-CD1 4.05Å; F169-L677 HydrophobicContact CG-CB 3.98Å; F169-L677 HydrophobicContact CZ-CB 4.45Å; F169-L678 HydrophobicContact CE1-CD2 3.65Å; F169-L678 HydrophobicContact CE1-CG 4.35Å; F169-L678 HydrophobicContact CZ-CD2 4.05Å; F169-L678 HydrophobicContact CZ-CG 4.42Å; F169-R683 HydrophobicContact CB-CG 4.3Å
170P97.4Very high94.4Very high0 Ų021.2 Ų21.20%012%0.121CC..  trans-57.7147.3178-24.734.2000113.2M234 D265 R266 T267 V637 R683P170-M234 HydrophobicContact CB-CB 4.11Å; P170-D265 HydrophobicContact CB-CB 3.89Å; P170-D265 HydrophobicContact CG-CB 3.6Å; P170-R266 HydrophobicContact CG-CB 4.42Å; P170-T267 HydrophobicContact CB-CG2 3.8Å; P170-T267 WeakPolarHBondContact CB-OG1 3.25Å; P170-T267 HydrophobicContact CG-CG2 4.16Å; P170-V637 WeakPolarHBondContact CD-O 3.45Å; P170-V637 HydrophobicContact CG-CG1 4.37Å; P170-V637 WeakPolarHBondContact CG-O 3.25Å; P170-R683 WeakPolarHBondContact O-CD 3.39Å
171L96.2Very high94.3Very high2 Ų224.2 Ų24.21%0.0115%0.148CC..  trans-67.9148.1178.4-60.9177.2000111.4D175 L192 L195 L200 L204 M234 L684L171-D175 HydrophobicContact CB-CB 4.43Å; L171-D175 HydrophobicContact CD2-CB 4.18Å; L171-L192 HydrophobicContact CB-CD2 3.87Å; L171-L192 WeakPolarHBondContact O-CD1 3.45Å; L171-L195 HydrophobicContact CD1-CD1 3.69Å; L171-L200 HydrophobicContact CD1-CD2 3.8Å; L171-L204 HydrophobicContact CD2-CD2 4.07Å; L171-M234 HydrophobicContact CD2-CE 4.2Å; L171-M234 HydrophobicContact CG-CE 4.05Å; L171-L684 HydrophobicContact CD2-CD2 3.78Å
172L94.9Very high93.9Very high3 Ų332.4 Ų32.42%0.01618%0.184CC..  trans-111.6163.5177.8-57-177.4000111A174 D175 L176 T267 T549 L553 L678L172-A174 PolarHBondContact O-N 3.38Å; L172-D175 PolarHBondContact N-OD2 3.27Å; L172-D175 WeakPolarHBondContact O-CA 3.18Å; L172-D175 VanDerWaalsContact O-CB 3.31Å; L172-D175 WeakPolarHBondContact O-CB 3.39Å; L172-D175 PolarHBondContact O-N 3.17Å; L172-L176 PolarHBondContact O-N 2.8Å; L172-T267 HydrophobicContact CD2-CG2 3.76Å; L172-T549 HydrophobicContact CD1-CG2 3.56Å; L172-L553 HydrophobicContact CD2-CD2 3.99Å; L172-L678 HydrophobicContact CD1-CD2 3.84Å; L172-L678 HydrophobicContact CD2-CD2 4.27Å
173P92.8Very high93.7Very high46 Ų4635.9 Ų35.930%0.29920%0.196SC..Hα-helixtrans-52.9-38.6177-3037.4000114.1D175 L176 E177 M556P173-D175 PolarHBondContact O-N 3.3Å; P173-L176 VanDerWaalsContact O-CB 3.25Å; P173-L176 WeakPolarHBondContact O-CB 3.41Å; P173-L176 PolarHBondContact O-N 3.47Å; P173-E177 PolarHBondContact O-N 2.93Å; P173-E177 VanDerWaalsContact O-N 3.14Å; P173-M556 HydrophobicContact CG-SD 4.35Å
174A91.8Very high93.9Very high41 Ų4139.7 Ų39.734%0.33922%0.221SC..Hα-helixtrans-61.7-29.3175.300000113.6L172 S178L172-A174 PolarHBondContact O-N 3.38Å; A174-S178 PolarHBondContact O-N 3.19Å; A174-S178 PolarHBondContact O-OG 3.47Å; A174-S178 VanDerWaalsContact O-OG 3.13Å
175D94.6Very high93.8Very high13 Ų1346.9 Ų46.97%0.0725%0.254CS..Hα-helixtrans-72.4-36.4175.5-55.7-42.6000110.7L171 L172 P173 E177 S178 I179 R683 L684L171-D175 HydrophobicContact CB-CB 4.43Å; L171-D175 HydrophobicContact CD2-CB 4.18Å; L172-D175 PolarHBondContact N-OD2 3.27Å; L172-D175 WeakPolarHBondContact O-CA 3.18Å; L172-D175 VanDerWaalsContact O-CB 3.31Å; L172-D175 WeakPolarHBondContact O-CB 3.39Å; L172-D175 PolarHBondContact O-N 3.17Å; P173-D175 PolarHBondContact O-N 3.3Å; D175-E177 VanDerWaalsContact C-N 3.35Å; D175-S178 WeakPolarHBondContact O-CB 3.28Å; D175-S178 PolarHBondContact O-N 3.31Å; D175-I179 WeakPolarHBondContact O-CG1 3.4Å; D175-I179 PolarHBondContact O-N 3.44Å; D175-R683 IonicContact OD1-CZ 3.54Å; D175-R683 IonicContact OD1-NE 4Å; D175-R683 IonicContact OD1-NH2 3.28Å; D175-R683 PolarHBondContact OD1-NH2 3Å; D175-R683 IonicContact OD2-CZ 3.86Å; D175-R683 IonicContact OD2-NE 2.82Å; D175-R683 PolarHBondContact OD2-NE 2.91Å; D175-R683 IonicContact OD2-NH2 3.12Å; D175-R683 PolarHBondContact OD2-NH2 2.89Å; D175-L684 HydrophobicContact CB-CD1 4.03Å; D175-L684 HydrophobicContact CB-CD2 4.14Å; D175-L684 HydrophobicContact CB-CG 4.03Å
176L94.7Very high93.5Very high16 Ų1656.4 Ų56.48%0.08430%0.296CS..Hα-helixtrans-60.9-44.5174-175.962.4000111.3L172 P173 S178 I179 N180 F189 L192 L195L172-L176 PolarHBondContact O-N 2.8Å; P173-L176 VanDerWaalsContact O-CB 3.25Å; P173-L176 WeakPolarHBondContact O-CB 3.41Å; P173-L176 PolarHBondContact O-N 3.47Å; L176-S178 VanDerWaalsContact C-N 3.31Å; L176-S178 PolarHBondContact O-N 2.97Å; L176-I179 PolarHBondContact O-N 3.28Å; L176-N180 VanDerWaalsContact O-CB 3.31Å; L176-N180 WeakPolarHBondContact O-CB 3.45Å; L176-N180 PolarHBondContact O-N 2.82Å; L176-F189 HydrophobicContact CD1-CB 3.79Å; L176-L192 HydrophobicContact CB-CD2 3.82Å; L176-L192 HydrophobicContact CB-CG 4.47Å; L176-L192 HydrophobicContact CD1-CD2 4.47Å; L176-L195 HydrophobicContact CD1-CD1 4.11Å; L176-L195 HydrophobicContact CD1-CD2 3.86Å; L176-L195 HydrophobicContact CD1-CG 4.05Å
177E93.6Very high93.4Very high142 Ų14263.2 Ų63.266%0.66432%0.324SS*.Hα-helixtrans-57.8-46.2175.2-67.1-177.9-179.800111.1P173 D175 I179 N180 A181P173-E177 PolarHBondContact O-N 2.93Å; P173-E177 VanDerWaalsContact O-N 3.14Å; D175-E177 VanDerWaalsContact C-N 3.35Å; E177-I179 PolarHBondContact O-N 2.92Å; E177-N180 CarbonylContact O-C 3.51Å; E177-N180 PolarHBondContact O-N 3.22Å; E177-A181 WeakPolarHBondContact O-CB 3.31Å; E177-A181 PolarHBondContact O-N 2.93Å
178S93.8Very high93.4Very high67 Ų6767.2 Ų67.247%0.46934%0.338SS..Hα-helixtrans-61.3-40.1177.6-66.10000112.8A174 D175 L176A174-S178 PolarHBondContact O-N 3.19Å; A174-S178 PolarHBondContact O-OG 3.47Å; A174-S178 VanDerWaalsContact O-OG 3.13Å; D175-S178 WeakPolarHBondContact O-CB 3.28Å; D175-S178 PolarHBondContact O-N 3.31Å; L176-S178 VanDerWaalsContact C-N 3.31Å; L176-S178 PolarHBondContact O-N 2.97Å
179I94.6Very high93.3Very high12 Ų1268.8 Ų68.86%0.06234%0.344CS..Hα-helixtrans-65.8-44.6174-69.5167000110.5D175 L176 E177 A181 F189 L195 L200 L684D175-I179 WeakPolarHBondContact O-CG1 3.4Å; D175-I179 PolarHBondContact O-N 3.44Å; L176-I179 PolarHBondContact O-N 3.28Å; E177-I179 PolarHBondContact O-N 2.92Å; I179-A181 VanDerWaalsContact C-N 3.31Å; I179-A181 PolarHBondContact O-N 2.74Å; I179-F189 HydrophobicContact CG2-CD2 4.3Å; I179-F189 HydrophobicContact CG2-CE2 4.21Å; I179-L195 HydrophobicContact CD1-CD1 4.06Å; I179-L195 HydrophobicContact CD1-CD2 4.17Å; I179-L195 HydrophobicContact CG2-CD2 4.28Å; I179-L200 HydrophobicContact CD1-CD2 4.1Å; I179-L684 HydrophobicContact CD1-CD2 3.85Å; I179-L684 HydrophobicContact CG1-CD1 4.17Å; I179-L684 HydrophobicContact CG1-CD2 4.07Å
180N95.6Very high93.1Very high18 Ų1871.7 Ų71.710%0.09638%0.375CS..Hα-helixtrans-70.2-25.1-179-83.5-25.2000113.4L176 E177 K182 R183 R188 F189L176-N180 VanDerWaalsContact O-CB 3.31Å; L176-N180 WeakPolarHBondContact O-CB 3.45Å; L176-N180 PolarHBondContact O-N 2.82Å; E177-N180 CarbonylContact O-C 3.51Å; E177-N180 PolarHBondContact O-N 3.22Å; N180-K182 PolarHBondContact O-N 2.95Å; N180-R183 PolarHBondContact O-N 3.28Å; N180-R188 HydrophobicContact CB-CB 4.34Å; N180-R188 HydrophobicContact CB-CG 3.97Å; N180-R188 PolarHBondContact O-NE 3.37Å; N180-R188 VanDerWaalsContact OD1-CA 3.28Å; N180-R188 WeakPolarHBondContact OD1-CA 3.37Å; N180-F189 PolarHBondContact ND2-O 3.33Å; N180-F189 PolarHBondContact OD1-N 2.97Å
181A93.5Very high92.9Very high73 Ų7374.9 Ų74.960%0.60340%0.395SS*.Hα-helixtrans-58.3-31.4179.300000112.2E177 I179E177-A181 WeakPolarHBondContact O-CB 3.31Å; E177-A181 PolarHBondContact O-N 2.93Å; I179-A181 VanDerWaalsContact C-N 3.31Å; I179-A181 PolarHBondContact O-N 2.74Å
182K87.1Confident92.8Very high172 Ų17275.6 Ų75.675%0.74840%0.398SS*.THydrogen-bonded Turntrans-87.4-1.4178-62.7-177.5-179.8179.40113.8N180N180-K182 PolarHBondContact O-N 2.95Å
183R91.7Very high92.6Very high73 Ų7377.4 Ų77.428%0.27541%0.408SS..SBendtrans-107.8141.9-172.7-67.9176.7168.9-111.4-5.6111.7N180 R188 F189N180-R183 PolarHBondContact O-N 3.28Å; R183-R188 HydrophobicContact CB-CG 4.24Å; R183-F189 VanDerWaalsContact NH2-CE2 3.34Å
184P91.5Very high92.6Very high85 Ų8579.3 Ų79.355%0.55242%0.416SS*.  trans-57142.9167.4-20.931.6000110.8K186 K187 R188P184-K186 VanDerWaalsContact C-N 3.28Å; P184-K186 PolarHBondContact O-N 2.9Å; P184-K186 VanDerWaalsContact O-N 3.12Å; P184-K187 CarbonylContact O-C 3.6Å; P184-K187 WeakPolarHBondContact O-CA 3.17Å; P184-K187 PolarHBondContact O-N 3.36Å; P184-R188 PolarHBondContact O-N 3.25Å
185E88.8Confident92.6Very high157 Ų15777.9 Ų77.973%0.73440%0.402SS*.G310 helixtrans-49.1-45-174.3-69.3-178.9165.300113.7K187 R188E185-K187 PolarHBondContact O-N 2.91Å; E185-K187 VanDerWaalsContact O-N 3.11Å; E185-R188 WeakPolarHBondContact O-CB 3.26Å; E185-R188 PolarHBondContact O-N 3.28Å
186K90Very high92.5Very high213 Ų21381.2 Ų81.293%0.92642%0.42SS*.G310 helixtrans-66.4-11.3179.8-62.9-176.9179.3-179.60115P184P184-K186 VanDerWaalsContact C-N 3.28Å; P184-K186 PolarHBondContact O-N 2.9Å; P184-K186 VanDerWaalsContact O-N 3.12Å
187K91Very high92.3Very high149 Ų14981.4 Ų81.465%0.64843%0.426SS*.G310 helixtrans-117.110.3-179.2-64.4-170.9176.9-174.90112.4P184 E185P184-K187 CarbonylContact O-C 3.6Å; P184-K187 WeakPolarHBondContact O-CA 3.17Å; P184-K187 PolarHBondContact O-N 3.36Å; E185-K187 PolarHBondContact O-N 2.91Å; E185-K187 VanDerWaalsContact O-N 3.11Å
188R94.3Very high92.2Very high125 Ų12581.7 Ų81.747%0.47243%0.427SS..  trans-71.4144.2173.4-70.8-177.1177.3174.71.4109.6N180 R183 P184 E185N180-R188 HydrophobicContact CB-CB 4.34Å; N180-R188 HydrophobicContact CB-CG 3.97Å; N180-R188 PolarHBondContact O-NE 3.37Å; N180-R188 VanDerWaalsContact OD1-CA 3.28Å; N180-R188 WeakPolarHBondContact OD1-CA 3.37Å; R183-R188 HydrophobicContact CB-CG 4.24Å; P184-R188 PolarHBondContact O-N 3.25Å; E185-R188 WeakPolarHBondContact O-CB 3.26Å; E185-R188 PolarHBondContact O-N 3.28Å
189F94.8Very high92.2Very high35 Ų3579 Ų7915%0.15441%0.408CS..  trans-79.5142.3172.7-61.2-68.5000109.7L176 I179 N180 R183 D194 L195 S199L176-F189 HydrophobicContact CD1-CB 3.79Å; I179-F189 HydrophobicContact CG2-CD2 4.3Å; I179-F189 HydrophobicContact CG2-CE2 4.21Å; N180-F189 PolarHBondContact ND2-O 3.33Å; N180-F189 PolarHBondContact OD1-N 2.97Å; R183-F189 VanDerWaalsContact NH2-CE2 3.34Å; F189-D194 HydrophobicContact CB-CB 4.13Å; F189-D194 HydrophobicContact CD1-CB 3.76Å; F189-D194 WeakPolarHBondContact CD1-O 3.44Å; F189-D194 VanDerWaalsContact CE1-O 3.24Å; F189-D194 WeakPolarHBondContact CE1-O 3.38Å; F189-D194 HydrophobicContact CG-CB 4.36Å; F189-L195 HydrophobicContact CB-CD2 4.38Å; F189-L195 HydrophobicContact CD1-CD2 4.49Å; F189-L195 HydrophobicContact CD2-CD2 3.33Å; F189-L195 HydrophobicContact CE2-CD2 3.44Å; F189-L195 VanDerWaalsContact CE2-CD2 3.44Å; F189-L195 HydrophobicContact CG-CD2 3.86Å; F189-L195 HydrophobicContact CZ-CD2 4.12Å; F189-S199 VanDerWaalsContact CZ-CB 3.49Å
190G92.3Very high92.2Very high63 Ų6378.8 Ų78.865%0.64941%0.407SS*.SBendtrans-82.9-39.1179.100000111.9D194G190-D194 PolarHBondContact N-OD2 2.93Å
191T93Very high92.2Very high68 Ų6879.5 Ų79.542%0.41741%0.412SS..SBendtrans-136.3165.9-178.471.40000111.4N193 D194T191-N193 PolarHBondContact O-N 2.87Å; T191-N193 PolarHBondContact OG1-N 2.77Å; T191-D194 PolarHBondContact N-OD2 2.81Å; T191-D194 PolarHBondContact O-N 2.86Å; T191-D194 VanDerWaalsContact O-N 3.13Å; T191-D194 PolarHBondContact OG1-OD2 2.8Å
192L93.8Very high92.3Very high17 Ų1778.9 Ų78.99%0.08940%0.401CS..G310 helixtrans-59.1-26.1172.6-71.3170.9000112.3L171 L176 D194 L195 P233 M556L171-L192 HydrophobicContact CB-CD2 3.87Å; L171-L192 WeakPolarHBondContact O-CD1 3.45Å; L176-L192 HydrophobicContact CB-CD2 3.82Å; L176-L192 HydrophobicContact CB-CG 4.47Å; L176-L192 HydrophobicContact CD1-CD2 4.47Å; L192-D194 PolarHBondContact O-N 3.4Å; L192-L195 HydrophobicContact CD2-CD1 3.8Å; L192-L195 WeakPolarHBondContact O-CB 3.22Å; L192-L195 PolarHBondContact O-N 3.12Å; L192-P233 HydrophobicContact CB-CB 3.82Å; L192-P233 HydrophobicContact CB-CG 3.71Å; L192-M556 HydrophobicContact CD1-CE 4.12Å; L192-M556 HydrophobicContact CD1-SD 4.46Å
193N91.4Very high92.7Very high41 Ų4173.1 Ų73.122%0.21938%0.377CS..G310 helixtrans-70.9-19.6179.5-71.2-48.1000113.8T191 L195 R236 H559T191-N193 PolarHBondContact O-N 2.87Å; T191-N193 PolarHBondContact OG1-N 2.77Å; N193-L195 VanDerWaalsContact C-N 3.26Å; N193-R236 VanDerWaalsContact CA-NH1 3.31Å; N193-R236 PolarHBondContact O-NH1 3.46Å; N193-R236 VanDerWaalsContact OD1-CZ 3.28Å; N193-R236 PolarHBondContact OD1-NH1 3.4Å; N193-R236 PolarHBondContact OD1-NH2 2.88Å; N193-H559 WeakPolarHBondContact ND2-CB 3.46Å; N193-H559 PolarHBondContact ND2-CD2 2.77Å; N193-H559 VanDerWaalsContact ND2-CD2 3.27Å
194D92.3Very high92.9Very high86 Ų8669.7 Ų69.746%0.4636%0.364SS..G310 helixtrans-81.3-8178.3-53.8-40.7000112.4F189 G190 T191 L192F189-D194 HydrophobicContact CB-CB 4.13Å; F189-D194 HydrophobicContact CD1-CB 3.76Å; F189-D194 WeakPolarHBondContact CD1-O 3.44Å; F189-D194 VanDerWaalsContact CE1-O 3.24Å; F189-D194 WeakPolarHBondContact CE1-O 3.38Å; F189-D194 HydrophobicContact CG-CB 4.36Å; G190-D194 PolarHBondContact N-OD2 2.93Å; T191-D194 PolarHBondContact N-OD2 2.81Å; T191-D194 PolarHBondContact O-N 2.86Å; T191-D194 VanDerWaalsContact O-N 3.13Å; T191-D194 PolarHBondContact OG1-OD2 2.8Å; L192-D194 PolarHBondContact O-N 3.4Å
195L93Very high93.2Very high11 Ų1166.5 Ų66.56%0.05834%0.342CS..  trans-73.1139.4179.5-65176.4000111.5L171 L176 I179 F189 L192 N193 I237L171-L195 HydrophobicContact CD1-CD1 3.69Å; L176-L195 HydrophobicContact CD1-CD1 4.11Å; L176-L195 HydrophobicContact CD1-CD2 3.86Å; L176-L195 HydrophobicContact CD1-CG 4.05Å; I179-L195 HydrophobicContact CD1-CD1 4.06Å; I179-L195 HydrophobicContact CD1-CD2 4.17Å; I179-L195 HydrophobicContact CG2-CD2 4.28Å; F189-L195 HydrophobicContact CB-CD2 4.38Å; F189-L195 HydrophobicContact CD1-CD2 4.49Å; F189-L195 HydrophobicContact CD2-CD2 3.33Å; F189-L195 HydrophobicContact CE2-CD2 3.44Å; F189-L195 VanDerWaalsContact CE2-CD2 3.44Å; F189-L195 HydrophobicContact CG-CD2 3.86Å; F189-L195 HydrophobicContact CZ-CD2 4.12Å; L192-L195 HydrophobicContact CD2-CD1 3.8Å; L192-L195 WeakPolarHBondContact O-CB 3.22Å; L192-L195 PolarHBondContact O-N 3.12Å; N193-L195 VanDerWaalsContact C-N 3.26Å; L195-I237 HydrophobicContact CB-CD1 4.13Å
196D91Very high93.6Very high82 Ų8259.2 Ų59.244%0.43931%0.308SS..  trans-114.9166.316866.535.3000111H198 S199D196-H198 PolarHBondContact O-N 2.94Å; D196-H198 WeakPolarHBondContact OD1-CA 3.47Å; D196-H198 PolarHBondContact OD1-N 3.2Å; D196-S199 PolarHBondContact N-OG 3.38Å; D196-S199 WeakPolarHBondContact O-CB 3.29Å; D196-S199 PolarHBondContact O-N 3.5Å; D196-S199 VanDerWaalsContact O-N 3.11Å; D196-S199 PolarHBondContact O-OG 3.31Å; D196-S199 VanDerWaalsContact OD1-CB 3.32Å; D196-S199 WeakPolarHBondContact OD1-CB 3.46Å; D196-S199 PolarHBondContact OD1-N 3.09Å
197G91Very high93.9Very high20 Ų2049.6 Ų49.621%0.20627%0.266CS..G310 helixtrans-58.7-32.7-179.500000113.8S199 L200 Q205G197-S199 VanDerWaalsContact C-N 3.28Å; G197-S199 PolarHBondContact O-N 3.26Å; G197-L200 PolarHBondContact O-N 3.29Å; G197-Q205 WeakPolarHBondContact O-CG 3.36Å
198H92Very high94.2Very high148 Ų14842.8 Ų42.869%0.68524%0.237SC*.G310 helixtrans-75-20.3-179.4-63.7-57.4000113.3D196 L200 Q205D196-H198 PolarHBondContact O-N 2.94Å; D196-H198 WeakPolarHBondContact OD1-CA 3.47Å; D196-H198 PolarHBondContact OD1-N 3.2Å; H198-L200 VanDerWaalsContact C-N 3.28Å; H198-Q205 PolarHBondContact O-NE2 3Å
199S93Very high94.3Very high11 Ų1138.5 Ų38.58%0.07722%0.222CC..G310 helixtrans-75.5-17.5178.176.40000113.8F189 D196 G197F189-S199 VanDerWaalsContact CZ-CB 3.49Å; D196-S199 PolarHBondContact N-OG 3.38Å; D196-S199 WeakPolarHBondContact O-CB 3.29Å; D196-S199 PolarHBondContact O-N 3.5Å; D196-S199 VanDerWaalsContact O-N 3.11Å; D196-S199 PolarHBondContact O-OG 3.31Å; D196-S199 VanDerWaalsContact OD1-CB 3.32Å; D196-S199 WeakPolarHBondContact OD1-CB 3.46Å; D196-S199 PolarHBondContact OD1-N 3.09Å; G197-S199 VanDerWaalsContact C-N 3.28Å; G197-S199 PolarHBondContact O-N 3.26Å
200L95.8Very high94.4Very high7 Ų737.3 Ų37.34%0.03722%0.218CC..SBendtrans-78.7157.6-177.6-57.1-178.7000112L171 I179 G197 H198 L204 Q205 I208 I237L171-L200 HydrophobicContact CD1-CD2 3.8Å; I179-L200 HydrophobicContact CD1-CD2 4.1Å; G197-L200 PolarHBondContact O-N 3.29Å; H198-L200 VanDerWaalsContact C-N 3.28Å; L200-L204 HydrophobicContact CB-CD2 4.32Å; L200-L204 HydrophobicContact CD1-CD2 3.86Å; L200-L204 HydrophobicContact CD1-CG 4.12Å; L200-L204 HydrophobicContact CD2-CD2 4.24Å; L200-L204 HydrophobicContact CG-CD2 4.37Å; L200-Q205 HydrophobicContact CB-CG 4.05Å; L200-Q205 PolarHBondContact O-NE2 3.29Å; L200-I208 HydrophobicContact CD1-CD1 3.63Å; L200-I237 HydrophobicContact CD1-CD1 4.01Å; L200-I237 HydrophobicContact CD1-CG2 4.07Å; L200-I237 HydrophobicContact CD2-CD1 4.34Å; L200-I237 HydrophobicContact CG-CD1 4.43Å
201P95.4Very high94.7Very high33 Ų3334.3 Ų34.321%0.21419%0.187CC..  trans-58.7154169-24.236.5000112.8E203 L204 Q205 L684P201-E203 VanDerWaalsContact C-N 3.29Å; P201-E203 PolarHBondContact O-N 2.67Å; P201-L204 PolarHBondContact O-N 3.39Å; P201-Q205 WeakPolarHBondContact O-CG 3.12Å; P201-Q205 PolarHBondContact O-N 3.27Å; P201-L684 VanDerWaalsContact CB-O 3.29Å; P201-L684 WeakPolarHBondContact CB-O 3.42Å; P201-L684 HydrophobicContact CG-CB 4.16Å; P201-L684 HydrophobicContact CG-CD2 4.32Å; P201-L684 WeakPolarHBondContact CG-O 3.49Å
202V94.9Very high94.9Very high61 Ų6131.1 Ų31.137%0.3717%0.167SC..Hα-helixtrans-61.8-38.1-173.5172.10000111.6F111 Q205 I206F111-V202 HydrophobicContact CE1-CG1 4.13Å; V202-Q205 WeakPolarHBondContact O-CB 3.32Å; V202-Q205 PolarHBondContact O-N 2.91Å; V202-I206 HydrophobicContact CG1-CD1 3.73Å; V202-I206 HydrophobicContact CG1-CG1 4.38Å; V202-I206 WeakPolarHBondContact O-CD1 3.5Å; V202-I206 VanDerWaalsContact O-CG1 3.29Å; V202-I206 WeakPolarHBondContact O-CG1 3.46Å; V202-I206 PolarHBondContact O-N 3.4Å
203E95.4Very high95Very high50 Ų5030.4 Ų30.423%0.23416%0.163CC..Hα-helixtrans-59.6-48.8178.3-61.680.6179.100111.1P201 I206 E207 P686 V688 F690P201-E203 VanDerWaalsContact C-N 3.29Å; P201-E203 PolarHBondContact O-N 2.67Å; E203-I206 WeakPolarHBondContact O-CB 3.25Å; E203-I206 PolarHBondContact O-N 2.83Å; E203-E207 PolarHBondContact O-N 3.16Å; E203-E207 VanDerWaalsContact O-N 3.1Å; E203-P686 HydrophobicContact CB-CG 4.15Å; E203-V688 HydrophobicContact CB-CG1 4.48Å; E203-V688 HydrophobicContact CB-CG2 4.25Å; E203-V688 HydrophobicContact CG-CG2 4.08Å; E203-F690 HydrophobicContact CG-CD2 4.16Å; E203-F690 HydrophobicContact CG-CE2 3.89Å
204L97.1Very high95.2Very high1 Ų128.6 Ų28.61%0.00515%0.154CC..Hα-helixtrans-68.4-35.5177.5-17758.4000112.1L168 L171 L200 P201 I206 E207 I208 M234 L684 P686L168-L204 HydrophobicContact CD1-CD1 3.87Å; L171-L204 HydrophobicContact CD2-CD2 4.07Å; L200-L204 HydrophobicContact CB-CD2 4.32Å; L200-L204 HydrophobicContact CD1-CD2 3.86Å; L200-L204 HydrophobicContact CD1-CG 4.12Å; L200-L204 HydrophobicContact CD2-CD2 4.24Å; L200-L204 HydrophobicContact CG-CD2 4.37Å; P201-L204 PolarHBondContact O-N 3.39Å; L204-I206 VanDerWaalsContact C-N 3.34Å; L204-I206 PolarHBondContact O-N 3.41Å; L204-E207 PolarHBondContact O-N 3.41Å; L204-I208 HydrophobicContact CD1-CD1 4.19Å; L204-I208 HydrophobicContact CD1-CG1 4.32Å; L204-I208 HydrophobicContact CG-CD1 4.01Å; L204-I208 WeakPolarHBondContact O-CG1 3.28Å; L204-I208 PolarHBondContact O-N 3.14Å; L204-M234 HydrophobicContact CD1-CE 4.09Å; L204-M234 HydrophobicContact CD2-CE 4.21Å; L204-L684 HydrophobicContact CD2-CD2 4.34Å; L204-P686 HydrophobicContact CB-CG 4.37Å; L204-P686 HydrophobicContact CD1-CG 4.42Å
205Q97.3Very high95.4Very high19 Ų1924.5 Ų24.59%0.08913%0.132CC..Hα-helixtrans-61.6-41.2172.1-71-173.754.900112.2F111 G197 H198 L200 P201 V202 K209F111-Q205 HydrophobicContact CE1-CB 3.93Å; F111-Q205 HydrophobicContact CZ-CB 4.09Å; G197-Q205 WeakPolarHBondContact O-CG 3.36Å; H198-Q205 PolarHBondContact O-NE2 3Å; L200-Q205 HydrophobicContact CB-CG 4.05Å; L200-Q205 PolarHBondContact O-NE2 3.29Å; P201-Q205 WeakPolarHBondContact O-CG 3.12Å; P201-Q205 PolarHBondContact O-N 3.27Å; V202-Q205 WeakPolarHBondContact O-CB 3.32Å; V202-Q205 PolarHBondContact O-N 2.91Å; Q205-K209 VanDerWaalsContact O-CB 3.3Å; Q205-K209 WeakPolarHBondContact O-CB 3.37Å; Q205-K209 WeakPolarHBondContact O-CG 3.33Å; Q205-K209 PolarHBondContact O-N 2.98Å
206I96.2Very high95.5Very high3 Ų324 Ų242%0.01513%0.13CC..Hα-helixtrans-61.2-46176.7-75.5158.6000110.4L77 V108 F111 A112 V202 E203 L204 K209 S210 V688 F690L77-I206 HydrophobicContact CD1-CD1 4.03Å; L77-I206 HydrophobicContact CD1-CG2 4.19Å; L77-I206 HydrophobicContact CG-CG2 4.46Å; V108-I206 HydrophobicContact CG1-CB 4.27Å; V108-I206 HydrophobicContact CG1-CG1 4.27Å; V108-I206 HydrophobicContact CG1-CG2 3.74Å; F111-I206 HydrophobicContact CD1-CG1 3.88Å; F111-I206 HydrophobicContact CE1-CG1 4.06Å; A112-I206 HydrophobicContact CB-CD1 3.81Å; A112-I206 HydrophobicContact CB-CG1 4.32Å; V202-I206 HydrophobicContact CG1-CD1 3.73Å; V202-I206 HydrophobicContact CG1-CG1 4.38Å; V202-I206 WeakPolarHBondContact O-CD1 3.5Å; V202-I206 VanDerWaalsContact O-CG1 3.29Å; V202-I206 WeakPolarHBondContact O-CG1 3.46Å; V202-I206 PolarHBondContact O-N 3.4Å; E203-I206 WeakPolarHBondContact O-CB 3.25Å; E203-I206 PolarHBondContact O-N 2.83Å; L204-I206 VanDerWaalsContact C-N 3.34Å; L204-I206 PolarHBondContact O-N 3.41Å; I206-K209 PolarHBondContact O-N 3.19Å; I206-S210 WeakPolarHBondContact O-CB 3.42Å; I206-S210 PolarHBondContact O-N 3.4Å; I206-S210 PolarHBondContact O-OG 3.05Å; I206-V688 HydrophobicContact CB-CG1 4.22Å; I206-V688 HydrophobicContact CD1-CG2 4.48Å; I206-V688 HydrophobicContact CG2-CB 4.14Å; I206-V688 HydrophobicContact CG2-CG1 3.79Å; I206-F690 HydrophobicContact CD1-CZ 3.85Å
207E96.1Very high95.6Very high12 Ų1221.1 Ų21.16%0.05612%0.116CC..Hα-helixtrans-62.6-50.5179.6-170.3178-160.900111.6F165 H167 E203 L204 K209 S210 L211 P686F165-E207 HydrophobicContact CD1-CG 3.64Å; F165-E207 HydrophobicContact CE1-CG 3.93Å; F165-E207 WeakPolarHBondContact CE1-O 3.34Å; H167-E207 IonicContact CD2-OE1 3.71Å; H167-E207 IonicContact CE1-OE1 3.21Å; H167-E207 PolarHBondContact CE1-OE1 3.47Å; H167-E207 IonicContact CG-OE1 3.93Å; H167-E207 IonicContact ND1-OE1 2.92Å; H167-E207 IonicContact NE2-OE1 3.82Å; H167-E207 PolarHBondContact NE2-OE1 2.9Å; H167-E207 IonicContact NE2-OE2 3.15Å; E203-E207 PolarHBondContact O-N 3.16Å; E203-E207 VanDerWaalsContact O-N 3.1Å; L204-E207 PolarHBondContact O-N 3.41Å; E207-K209 PolarHBondContact O-N 3.5Å; E207-S210 WeakPolarHBondContact O-CB 3.43Å; E207-S210 PolarHBondContact O-N 2.95Å; E207-S210 VanDerWaalsContact O-N 3.16Å; E207-L211 PolarHBondContact O-N 3.3Å; E207-P686 HydrophobicContact CB-CG 4.04Å; E207-P686 WeakPolarHBondContact OE2-CB 3.48Å; E207-P686 VanDerWaalsContact OE2-CG 3.28Å; E207-P686 WeakPolarHBondContact OE2-CG 2.94Å
208I97.8Very high95.6Very high5 Ų520.3 Ų20.33%0.02611%0.107CC..Hα-helixtrans-59.3-45.8178.5-68.6169.1000111.1L200 L204 S210 L211 V212 M234 I237 I238 E241L200-I208 HydrophobicContact CD1-CD1 3.63Å; L204-I208 HydrophobicContact CD1-CD1 4.19Å; L204-I208 HydrophobicContact CD1-CG1 4.32Å; L204-I208 HydrophobicContact CG-CD1 4.01Å; L204-I208 WeakPolarHBondContact O-CG1 3.28Å; L204-I208 PolarHBondContact O-N 3.14Å; I208-S210 VanDerWaalsContact C-N 3.29Å; I208-S210 PolarHBondContact O-N 2.9Å; I208-L211 PolarHBondContact O-N 3.5Å; I208-V212 HydrophobicContact CG2-CG2 4.42Å; I208-V212 WeakPolarHBondContact O-CB 3.33Å; I208-V212 WeakPolarHBondContact O-CG2 3.32Å; I208-V212 PolarHBondContact O-N 3.14Å; I208-M234 HydrophobicContact CD1-SD 3.94Å; I208-I237 HydrophobicContact CD1-CG2 4.07Å; I208-I238 HydrophobicContact CG1-CG1 4.32Å; I208-I238 HydrophobicContact CG2-CG1 4.11Å; I208-E241 HydrophobicContact CG2-CB 4.31Å; I208-E241 HydrophobicContact CG2-CG 4.31Å
209K97Very high95.7Very high36 Ų3613.2 Ų13.216%0.1577%0.074CC..Hα-helixtrans-64.4-35179-73176.1-175.9-64.50112.2V108 F111 Q205 I206 E207 S213 E241V108-K209 HydrophobicContact CG2-CB 3.68Å; F111-K209 HydrophobicContact CD1-CD 4.37Å; F111-K209 HydrophobicContact CG-CD 4.49Å; Q205-K209 VanDerWaalsContact O-CB 3.3Å; Q205-K209 WeakPolarHBondContact O-CB 3.37Å; Q205-K209 WeakPolarHBondContact O-CG 3.33Å; Q205-K209 PolarHBondContact O-N 2.98Å; I206-K209 PolarHBondContact O-N 3.19Å; E207-K209 PolarHBondContact O-N 3.5Å; K209-S213 WeakPolarHBondContact O-CB 3.49Å; K209-S213 PolarHBondContact O-N 3.33Å; K209-E241 HydrophobicContact CG-CG 4.36Å; K209-E241 VanDerWaalsContact NZ-CD 3.25Å; K209-E241 IonicContact NZ-OE1 3.49Å; K209-E241 PolarHBondContact NZ-OE1 2.86Å; K209-E241 IonicContact NZ-OE2 2.74Å; K209-E241 PolarHBondContact NZ-OE2 3.41Å
210S96.9Very high95.6Very high10 Ų1018.4 Ų18.47%0.0710%0.097CC..Hα-helixtrans-66.8-46.7175.8-58.10000111.1I206 E207 I208 V212 S213 A214I206-S210 WeakPolarHBondContact O-CB 3.42Å; I206-S210 PolarHBondContact O-N 3.4Å; I206-S210 PolarHBondContact O-OG 3.05Å; E207-S210 WeakPolarHBondContact O-CB 3.43Å; E207-S210 PolarHBondContact O-N 2.95Å; E207-S210 VanDerWaalsContact O-N 3.16Å; I208-S210 VanDerWaalsContact C-N 3.29Å; I208-S210 PolarHBondContact O-N 2.9Å; S210-V212 PolarHBondContact O-N 3.15Å; S210-S213 PolarHBondContact O-N 3.49Å; S210-A214 PolarHBondContact O-N 2.79Å
211L97.6Very high95.4Very high0 Ų020.6 Ų20.60%012%0.116CC..Hα-helixtrans-59.3-47175.2174.860.6000111.6A162 F165 L168 E207 I208 S213 A214 L215 I238 F635A162-L211 HydrophobicContact CB-CD1 4.36Å; F165-L211 HydrophobicContact CD1-CB 4.04Å; F165-L211 HydrophobicContact CD2-CD1 3.94Å; F165-L211 HydrophobicContact CE1-CB 3.78Å; F165-L211 HydrophobicContact CE2-CB 4.26Å; F165-L211 HydrophobicContact CE2-CD1 4.07Å; F165-L211 HydrophobicContact CG-CB 4.39Å; F165-L211 HydrophobicContact CG-CD1 4.3Å; F165-L211 HydrophobicContact CZ-CB 3.89Å; L168-L211 HydrophobicContact CD2-CD2 3.62Å; E207-L211 PolarHBondContact O-N 3.3Å; I208-L211 PolarHBondContact O-N 3.5Å; L211-S213 VanDerWaalsContact C-N 3.33Å; L211-S213 PolarHBondContact O-N 2.91Å; L211-A214 PolarHBondContact O-N 2.69Å; L211-L215 HydrophobicContact CD1-CD1 4.32Å; L211-L215 HydrophobicContact CD1-CG 4.31Å; L211-L215 HydrophobicContact CG-CD1 4.21Å; L211-L215 WeakPolarHBondContact O-CG 3.41Å; L211-L215 PolarHBondContact O-N 3.43Å; L211-I238 HydrophobicContact CD2-CG2 4.45Å; L211-F635 HydrophobicContact CD1-CE2 4.17Å; L211-F635 HydrophobicContact CD1-CZ 3.9Å; L211-F635 HydrophobicContact CD2-CE1 4.3Å; L211-F635 HydrophobicContact CD2-CZ 3.87Å; L211-F635 HydrophobicContact CG-CZ 4.42Å
212V97.4Very high95.1Very high0 Ų019.6 Ų19.60%011%0.11CC..Hα-helixtrans-61.2-41.6178.8165.10000111.6I208 S210 L215 N216 I238 E241 L242 H245I208-V212 HydrophobicContact CG2-CG2 4.42Å; I208-V212 WeakPolarHBondContact O-CB 3.33Å; I208-V212 WeakPolarHBondContact O-CG2 3.32Å; I208-V212 PolarHBondContact O-N 3.14Å; S210-V212 PolarHBondContact O-N 3.15Å; V212-L215 PolarHBondContact O-N 3.49Å; V212-N216 WeakPolarHBondContact O-CB 3.49Å; V212-N216 PolarHBondContact O-N 2.96Å; V212-I238 HydrophobicContact CG2-CG2 4.26Å; V212-E241 HydrophobicContact CB-CG 4.27Å; V212-E241 HydrophobicContact CG1-CG 4.23Å; V212-E241 HydrophobicContact CG2-CB 4.07Å; V212-E241 HydrophobicContact CG2-CG 3.91Å; V212-L242 HydrophobicContact CG1-CB 4.07Å; V212-L242 HydrophobicContact CG1-CD1 3.98Å; V212-L242 HydrophobicContact CG2-CB 4.19Å; V212-H245 HydrophobicContact CG1-CB 4.09Å
213S96.4Very high94.9Very high2 Ų217.8 Ų17.81%0.01410%0.104CC..Hα-helixtrans-67.5-36.7177-172.30000112.5P105 K209 S210 L211 N216 S217P105-S213 WeakPolarHBondContact CB-OG 3.19Å; P105-S213 WeakPolarHBondContact CG-OG 3.48Å; K209-S213 WeakPolarHBondContact O-CB 3.49Å; K209-S213 PolarHBondContact O-N 3.33Å; S210-S213 PolarHBondContact O-N 3.49Å; L211-S213 VanDerWaalsContact C-N 3.33Å; L211-S213 PolarHBondContact O-N 2.91Å; S213-N216 WeakPolarHBondContact O-CB 3.45Å; S213-N216 PolarHBondContact O-N 2.96Å; S213-S217 PolarHBondContact O-N 3.32Å; S213-S217 PolarHBondContact O-OG 3.05Å
214A95.9Very high94.6Very high3 Ų315.4 Ų15.43%0.0259%0.093CC..Hα-helixtrans-64.8-47.2173.600000111.7P149 V151 F152 S210 L211 N216 S217 M218P149-A214 HydrophobicContact CB-CB 4.15Å; V151-A214 HydrophobicContact CG2-CB 3.45Å; V151-A214 VanDerWaalsContact CG2-CB 3.45Å; F152-A214 HydrophobicContact CE2-CB 3.76Å; F152-A214 HydrophobicContact CZ-CB 4.03Å; S210-A214 PolarHBondContact O-N 2.79Å; L211-A214 PolarHBondContact O-N 2.69Å; A214-N216 VanDerWaalsContact C-N 3.28Å; A214-N216 PolarHBondContact O-N 3.34Å; A214-S217 WeakPolarHBondContact O-CB 3.21Å; A214-S217 PolarHBondContact O-N 3.23Å; A214-S217 VanDerWaalsContact O-N 3.08Å; A214-M218 PolarHBondContact O-N 3.34Å
215L95.8Very high94.4Very high0 Ų021 Ų210%011%0.114CC..Hα-helixtrans-57.4-43.1173.6-75.5171.2000111.5F152 L211 V212 S217 M218 F219 F263 F635 L664F152-L215 HydrophobicContact CE1-CD2 4.2Å; F152-L215 HydrophobicContact CZ-CD2 3.76Å; F152-L215 HydrophobicContact CZ-CG 4.04Å; L211-L215 HydrophobicContact CD1-CD1 4.32Å; L211-L215 HydrophobicContact CD1-CG 4.31Å; L211-L215 HydrophobicContact CG-CD1 4.21Å; L211-L215 WeakPolarHBondContact O-CG 3.41Å; L211-L215 PolarHBondContact O-N 3.43Å; V212-L215 PolarHBondContact O-N 3.49Å; L215-S217 VanDerWaalsContact C-N 3.33Å; L215-S217 PolarHBondContact O-N 2.84Å; L215-M218 HydrophobicContact CD2-CE 3.88Å; L215-M218 PolarHBondContact O-N 3.19Å; L215-F219 HydrophobicContact CB-CE2 4.46Å; L215-F219 WeakPolarHBondContact O-CD2 3.45Å; L215-F219 VanDerWaalsContact O-CG 3.26Å; L215-F219 WeakPolarHBondContact O-CG 3.27Å; L215-F219 PolarHBondContact O-N 3.05Å; L215-F263 HydrophobicContact CD1-CE1 3.83Å; L215-F263 HydrophobicContact CD1-CZ 3.78Å; L215-F635 HydrophobicContact CD1-CD2 4.28Å; L215-F635 HydrophobicContact CD1-CE2 4.09Å; L215-F635 HydrophobicContact CD2-CD2 4.11Å; L215-F635 HydrophobicContact CD2-CE2 3.95Å; L215-F635 HydrophobicContact CG-CE2 4.42Å; L215-L664 HydrophobicContact CD2-CD2 3.72Å
216N95.3Very high94.2Very high1 Ų120.6 Ų20.61%0.00511%0.112CC..Hα-helixtrans-58.4-45.5174.1178.972.9000111.6V212 S213 A214 M218 F219 E220 A248 R251V212-N216 WeakPolarHBondContact O-CB 3.49Å; V212-N216 PolarHBondContact O-N 2.96Å; S213-N216 WeakPolarHBondContact O-CB 3.45Å; S213-N216 PolarHBondContact O-N 2.96Å; A214-N216 VanDerWaalsContact C-N 3.28Å; A214-N216 PolarHBondContact O-N 3.34Å; N216-M218 VanDerWaalsContact C-N 3.32Å; N216-M218 PolarHBondContact O-N 3.03Å; N216-F219 PolarHBondContact O-N 3.03Å; N216-E220 WeakPolarHBondContact O-CB 3.36Å; N216-E220 PolarHBondContact O-N 3.37Å; N216-A248 VanDerWaalsContact OD1-CB 3.25Å; N216-A248 WeakPolarHBondContact OD1-CB 3.19Å; N216-R251 PolarHBondContact O-NH1 3.1Å; N216-R251 PolarHBondContact OD1-NH1 2.84Å; N216-R251 PolarHBondContact OD1-NH2 2.86Å
217S93.4Very high94.1Very high21 Ų2122.6 Ų22.615%0.14712%0.121CC..Hα-helixtrans-63.2-40.3179.4-56.90000111.9S213 A214 L215 E220 A221S213-S217 PolarHBondContact O-N 3.32Å; S213-S217 PolarHBondContact O-OG 3.05Å; A214-S217 WeakPolarHBondContact O-CB 3.21Å; A214-S217 PolarHBondContact O-N 3.23Å; A214-S217 VanDerWaalsContact O-N 3.08Å; L215-S217 VanDerWaalsContact C-N 3.33Å; L215-S217 PolarHBondContact O-N 2.84Å; S217-E220 PolarHBondContact O-N 3.12Å; S217-A221 PolarHBondContact O-N 3.47Å
218M91.7Very high94.1Very high3 Ų322.2 Ų22.22%0.01512%0.12CC..Hα-helixtrans-62.5-45.2174.7-175.5-172.964.600111.7L10 F152 A214 L215 N216 E220 A221 A222 L664L10-M218 HydrophobicContact CB-CG 4.17Å; L10-M218 HydrophobicContact CD1-CG 3.66Å; F152-M218 HydrophobicContact CD2-SD 4.43Å; F152-M218 HydrophobicContact CE2-CB 4.18Å; F152-M218 HydrophobicContact CE2-SD 4.39Å; A214-M218 PolarHBondContact O-N 3.34Å; L215-M218 HydrophobicContact CD2-CE 3.88Å; L215-M218 PolarHBondContact O-N 3.19Å; N216-M218 VanDerWaalsContact C-N 3.32Å; N216-M218 PolarHBondContact O-N 3.03Å; M218-E220 VanDerWaalsContact C-N 3.34Å; M218-E220 PolarHBondContact O-N 3.19Å; M218-A221 PolarHBondContact O-N 3.26Å; M218-A222 WeakPolarHBondContact O-CB 3.4Å; M218-A222 PolarHBondContact O-N 3.29Å; M218-L664 HydrophobicContact CE-CD2 3.7Å; M218-L664 HydrophobicContact SD-CD2 4.24Å
219F92.9Very high94.1Very high0 Ų022.1 Ų22.10%012%0.119CC..Hα-helixtrans-68.2-31.6177.2-65-22.7000113.2L215 N216 A222 G223 M224 E226 L242 R251 I261 F633L215-F219 HydrophobicContact CB-CE2 4.46Å; L215-F219 WeakPolarHBondContact O-CD2 3.45Å; L215-F219 VanDerWaalsContact O-CG 3.26Å; L215-F219 WeakPolarHBondContact O-CG 3.27Å; L215-F219 PolarHBondContact O-N 3.05Å; N216-F219 PolarHBondContact O-N 3.03Å; F219-A222 PolarHBondContact O-N 2.93Å; F219-G223 PolarHBondContact O-N 3.28Å; F219-M224 HydrophobicContact CB-CB 4.44Å; F219-M224 HydrophobicContact CB-CE 4.44Å; F219-M224 HydrophobicContact CD1-CE 3.04Å; F219-M224 HydrophobicContact CE1-CE 3.32Å; F219-M224 HydrophobicContact CG-CE 3.92Å; F219-M224 HydrophobicContact CZ-CE 4.41Å; F219-M224 PolarHBondContact O-N 2.86Å; F219-E226 HydrophobicContact CD2-CB 4.05Å; F219-E226 HydrophobicContact CD2-CG 3.85Å; F219-E226 HydrophobicContact CE2-CB 3.83Å; F219-E226 HydrophobicContact CE2-CG 3.67Å; F219-E226 HydrophobicContact CZ-CB 4.26Å; F219-L242 HydrophobicContact CE2-CD2 4.09Å; F219-R251 VanDerWaalsContact CB-CZ 3.45Å; F219-I261 HydrophobicContact CZ-CD1 3.93Å; F219-F633 HydrophobicContact CE1-CE2 4.33Å
220E92.2Very high94.1Very high120 Ų12020.4 Ų20.456%0.56111%0.112SC*.Hα-helixtrans-65.8-48.1172.6-173.4170.1-176.200111.7N216 S217 M218 A222 G223 R251N216-E220 WeakPolarHBondContact O-CB 3.36Å; N216-E220 PolarHBondContact O-N 3.37Å; S217-E220 PolarHBondContact O-N 3.12Å; M218-E220 VanDerWaalsContact C-N 3.34Å; M218-E220 PolarHBondContact O-N 3.19Å; E220-A222 PolarHBondContact O-N 3.02Å; E220-G223 PolarHBondContact O-N 2.77Å; E220-R251 VanDerWaalsContact CA-CD 3.45Å
221A89.9Confident94.2Very high52 Ų5220 Ų2043%0.4311%0.109SC..Hα-helixtrans-60.1-34.3175.200000112.6L10 M14 S217 M218 G223L10-A221 HydrophobicContact CD2-CB 3.72Å; M14-A221 HydrophobicContact CE-CB 3.63Å; S217-A221 PolarHBondContact O-N 3.47Å; M218-A221 PolarHBondContact O-N 3.26Å; A221-G223 VanDerWaalsContact C-N 3.3Å; A221-G223 PolarHBondContact O-N 2.96Å
222A89.1Confident94.1Very high12 Ų1220 Ų2010%0.09911%0.11CC..THydrogen-bonded Turntrans-80.9-3.1175.200000114.7F7 L10 M218 F219 E220 M224 N257F7-A222 HydrophobicContact CD1-CB 4.32Å; F7-A222 HydrophobicContact CE1-CB 3.45Å; F7-A222 VanDerWaalsContact CE1-CB 3.45Å; F7-A222 HydrophobicContact CZ-CB 3.73Å; L10-A222 HydrophobicContact CD1-CB 3.9Å; L10-A222 HydrophobicContact CD2-CB 4.23Å; M218-A222 WeakPolarHBondContact O-CB 3.4Å; M218-A222 PolarHBondContact O-N 3.29Å; F219-A222 PolarHBondContact O-N 2.93Å; E220-A222 PolarHBondContact O-N 3.02Å; A222-M224 VanDerWaalsContact C-N 3.32Å; A222-M224 HydrophobicContact CB-CB 4.17Å; A222-M224 PolarHBondContact O-N 2.83Å; A222-N257 PolarHBondContact O-ND2 3.01Å
223G90.9Very high94Very high23 Ų2320.3 Ų20.324%0.23711%0.112CC..THydrogen-bonded Turntrans5744.3-174.800000112.5F219 E220 A221 A255 P256 N257F219-G223 PolarHBondContact O-N 3.28Å; E220-G223 PolarHBondContact O-N 2.77Å; A221-G223 VanDerWaalsContact C-N 3.3Å; A221-G223 PolarHBondContact O-N 2.96Å; G223-A255 WeakPolarHBondContact O-CB 3.37Å; G223-P256 VanDerWaalsContact O-CD 3.24Å; G223-P256 WeakPolarHBondContact O-CD 3.45Å; G223-N257 WeakPolarHBondContact O-CB 3.36Å; G223-N257 PolarHBondContact O-N 3.36Å
224M90.3Very high94Very high1 Ų120.2 Ų20.21%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-113.3139.2-166.9-169.2157.462.900113.8F7 F219 A222 R251 A255 N257 A259 L631 F633F7-M224 HydrophobicContact CE1-CE 3.47Å; F7-M224 VanDerWaalsContact CE1-CE 3.47Å; F7-M224 HydrophobicContact CE1-SD 3.88Å; F7-M224 HydrophobicContact CZ-CE 3.77Å; F7-M224 HydrophobicContact CZ-SD 3.49Å; F7-M224 WeakPolarHBondContact CZ-SD 3.36Å; F219-M224 HydrophobicContact CB-CB 4.44Å; F219-M224 HydrophobicContact CB-CE 4.44Å; F219-M224 HydrophobicContact CD1-CE 3.04Å; F219-M224 HydrophobicContact CE1-CE 3.32Å; F219-M224 HydrophobicContact CG-CE 3.92Å; F219-M224 HydrophobicContact CZ-CE 4.41Å; F219-M224 PolarHBondContact O-N 2.86Å; A222-M224 VanDerWaalsContact C-N 3.32Å; A222-M224 HydrophobicContact CB-CB 4.17Å; A222-M224 PolarHBondContact O-N 2.83Å; M224-R251 VanDerWaalsContact O-CD 3.32Å; M224-R251 WeakPolarHBondContact O-CD 3.5Å; M224-R251 PolarHBondContact O-NE 3.47Å; M224-A255 VanDerWaalsContact C-CB 3.46Å; M224-N257 HydrophobicContact CB-CB 4.48Å; M224-N257 HydrophobicContact CG-CB 4.47Å; M224-A259 HydrophobicContact CE-CB 4.23Å; M224-A259 HydrophobicContact CG-CB 4.04Å; M224-A259 HydrophobicContact SD-CB 3.3Å; M224-A259 WeakPolarHBondContact SD-CB 3.27Å; M224-L631 HydrophobicContact SD-CD2 4.07Å; M224-F633 HydrophobicContact CE-CD2 4.37Å; M224-F633 HydrophobicContact CE-CE2 3.33Å; M224-F633 HydrophobicContact CE-CZ 3.64Å; M224-F633 HydrophobicContact SD-CE2 3.73Å; M224-F633 HydrophobicContact SD-CZ 4.2Å
225R92.8Very high94.1Very high119 Ų11920 Ų2045%0.44911%0.11SC..EExtended strand (participates in β ladder)trans-101.1110.4164.6178.2-173176.3159.1-6.5108.4R252 A255 N257 K258 A259R225-R252 WeakPolarHBondContact CD-O 3.49Å; R225-R252 HydrophobicContact CG-CB 4.21Å; R225-R252 HydrophobicContact CG-CG 4.4Å; R225-A255 HydrophobicContact CB-CB 4.04Å; R225-N257 PolarHBondContact N-O 3.41Å; R225-K258 CarbonylContact O-C 3.21Å; R225-K258 VanDerWaalsContact O-CA 3.29Å; R225-K258 WeakPolarHBondContact O-CA 3.27Å; R225-A259 PolarHBondContact O-N 3.06Å
226E93.2Very high94.2Very high9 Ų921.9 Ų21.94%0.04212%0.117CC..EExtended strand (participates in β ladder)trans-87.1151173.678.9-73.2-164.300111.9F219 L242 R251 R252 A259 I261F219-E226 HydrophobicContact CD2-CB 4.05Å; F219-E226 HydrophobicContact CD2-CG 3.85Å; F219-E226 HydrophobicContact CE2-CB 3.83Å; F219-E226 HydrophobicContact CE2-CG 3.67Å; F219-E226 HydrophobicContact CZ-CB 4.26Å; E226-L242 HydrophobicContact CG-CD2 4.39Å; E226-R251 IonicContact OE1-NH2 3.74Å; E226-R251 PolarHBondContact OE1-NH2 3.19Å; E226-R251 IonicContact OE2-CZ 2.7Å; E226-R251 IonicContact OE2-NE 3.6Å; E226-R251 IonicContact OE2-NH2 3.46Å; E226-R251 PolarHBondContact OE2-NH2 3.44Å; E226-R252 VanDerWaalsContact CD-NE 3.35Å; E226-R252 IonicContact OE1-CZ 3Å; E226-R252 IonicContact OE1-NE 2.75Å; E226-R252 PolarHBondContact OE1-NE 3Å; E226-R252 IonicContact OE1-NH2 2.61Å; E226-R252 PolarHBondContact OE1-NH2 2.99Å; E226-R252 IonicContact OE2-NE 3.24Å; E226-R252 PolarHBondContact OE2-NE 2.79Å; E226-A259 CarbonylContact C-O 3.55Å; E226-A259 VanDerWaalsContact CA-O 3.27Å; E226-A259 WeakPolarHBondContact CA-O 3.39Å; E226-I261 HydrophobicContact CB-CG2 4.38Å
227E93.8Very high94.3Very high45 Ų4522.6 Ų22.621%0.2112%0.12CC..EExtended strand (participates in β ladder)trans-119.8125164.9-168.8158.2-131.200108.7F229 A259 S260 I261 H602 P624 N629E227-F229 HydrophobicContact CB-CE2 4.09Å; E227-F229 HydrophobicContact CG-CE2 3.74Å; E227-F229 HydrophobicContact CG-CZ 3.9Å; E227-A259 PolarHBondContact N-O 2.99Å; E227-S260 CarbonylContact O-C 3.41Å; E227-S260 WeakPolarHBondContact O-CA 3.48Å; E227-I261 PolarHBondContact O-N 3.47Å; E227-H602 WeakPolarHBondContact CG-NE2 3.41Å; E227-H602 IonicContact OE1-NE2 2.76Å; E227-H602 PolarHBondContact OE1-NE2 2.81Å; E227-P624 HydrophobicContact CG-CB 4.39Å; E227-P624 WeakPolarHBondContact OE1-CB 3.44Å; E227-P624 VanDerWaalsContact OE1-CG 3.28Å; E227-P624 WeakPolarHBondContact OE1-CG 3.49Å; E227-N629 PolarHBondContact OE2-ND2 3.46Å
228S95.8Very high94.6Very high5 Ų521.6 Ų21.64%0.03511%0.113CC..EExtended strand (participates in β ladder)trans-99.3133.4-167.1-600000111.8M603S228-M603 PolarHBondContact O-N 2.8Å
229F97.6Very high94.8Very high2 Ų221.4 Ų21.41%0.00911%0.112CC..EExtended strand (participates in β ladder)trans-130.3157.1174.2-56.9-96.8000110E227 I261 I262 F263 I600 E601 H602 P624 P626E227-F229 HydrophobicContact CB-CE2 4.09Å; E227-F229 HydrophobicContact CG-CE2 3.74Å; E227-F229 HydrophobicContact CG-CZ 3.9Å; F229-I261 PolarHBondContact N-O 3.17Å; F229-I262 HydrophobicContact CB-CB 4.43Å; F229-I262 HydrophobicContact CB-CG1 4.09Å; F229-I262 HydrophobicContact CB-CG2 4.35Å; F229-I262 WeakPolarHBondContact O-CA 3.43Å; F229-F263 PolarHBondContact O-N 2.98Å; F229-I600 HydrophobicContact CB-CG2 3.96Å; F229-I600 HydrophobicContact CD1-CG2 4.14Å; F229-I600 HydrophobicContact CG-CG2 4.33Å; F229-E601 CarbonylContact C-O 3.58Å; F229-E601 WeakPolarHBondContact CA-O 3.35Å; F229-H602 HydrophobicContact CD1-CB 3.82Å; F229-H602 HydrophobicContact CE1-CB 3.71Å; F229-H602 AromaticContact CE1-CD2 3.64Å; F229-H602 AromaticContact CZ-CD2 3.75Å; F229-P624 HydrophobicContact CZ-CB 4.38Å; F229-P626 HydrophobicContact CD1-CG 3.88Å; F229-P626 HydrophobicContact CD2-CB 4.32Å; F229-P626 HydrophobicContact CD2-CG 3.94Å; F229-P626 HydrophobicContact CE1-CG 3.96Å; F229-P626 HydrophobicContact CE2-CB 4.26Å; F229-P626 HydrophobicContact CE2-CG 4.04Å; F229-P626 HydrophobicContact CG-CG 3.88Å; F229-P626 HydrophobicContact CZ-CG 4.06Å
230A97.9Very high94.9Very high1 Ų122 Ų221%0.00812%0.118CC..EExtended strand (participates in β ladder)trans-139.4147.6-179.900000112.2R236 A239 F263 E601 M603A230-R236 HydrophobicContact CB-CB 4.32Å; A230-A239 HydrophobicContact CB-CB 3.96Å; A230-F263 CarbonylContact C-O 3.57Å; A230-F263 WeakPolarHBondContact CA-O 3.45Å; A230-E601 PolarHBondContact N-O 3Å; A230-E601 PolarHBondContact O-N 3.28Å; A230-M603 HydrophobicContact CB-CG 4.34Å
231V97.8Very high95.1Very high0 Ų018.3 Ų18.30%010%0.101CC..EExtended strand (participates in β ladder)trans-134106.5168.3-1710000107.6I262 F263 D265 M268 L560 F581 I585 I600V231-I262 HydrophobicContact CG2-CG2 4.06Å; V231-F263 PolarHBondContact N-O 3.4Å; V231-D265 PolarHBondContact O-N 2.9Å; V231-M268 HydrophobicContact CG1-CG 4.44Å; V231-L560 HydrophobicContact CG1-CD2 4.41Å; V231-F581 HydrophobicContact CG1-CE1 3.72Å; V231-F581 HydrophobicContact CG1-CZ 3.57Å; V231-I585 HydrophobicContact CG2-CD1 4.19Å; V231-I600 HydrophobicContact CG2-CB 4.43Å; V231-I600 HydrophobicContact CG2-CG1 3.97Å
232G96.1Very high95.4Very high2 Ų215.8 Ų15.82%0.0218%0.08CC..SBendtrans110156.4-178.100000114.5S235 R236 D265G232-S235 PolarHBondContact O-N 3Å; G232-R236 PolarHBondContact O-N 3.16Å; G232-D265 WeakPolarHBondContact CA-OD2 3.24Å
233P95.7Very high95.5Very high5 Ų515.6 Ų15.63%0.0328%0.078CC..Hα-helixtrans-60.8-47-173.1-22.131000115.5L192 R236 I237 D265L192-P233 HydrophobicContact CB-CB 3.82Å; L192-P233 HydrophobicContact CB-CG 3.71Å; P233-R236 WeakPolarHBondContact O-CB 3.4Å; P233-R236 PolarHBondContact O-N 2.87Å; P233-I237 PolarHBondContact O-N 2.85Å; P233-D265 VanDerWaalsContact CD-OD2 3.28Å; P233-D265 WeakPolarHBondContact CD-OD2 3.47Å
234M97.3Very high95.5Very high0 Ų018.4 Ų18.40%09%0.088CC..Hα-helixtrans-68.6-41.8-178.6175.367.6101.400110.1L168 F169 P170 L171 L204 I208 R236 I237 I238 D265 V637L168-M234 HydrophobicContact CD1-CE 3.88Å; F169-M234 WeakPolarHBondContact O-CE 3.33Å; P170-M234 HydrophobicContact CB-CB 4.11Å; L171-M234 HydrophobicContact CD2-CE 4.2Å; L171-M234 HydrophobicContact CG-CE 4.05Å; L204-M234 HydrophobicContact CD1-CE 4.09Å; L204-M234 HydrophobicContact CD2-CE 4.21Å; I208-M234 HydrophobicContact CD1-SD 3.94Å; M234-R236 VanDerWaalsContact C-N 3.28Å; M234-R236 PolarHBondContact O-N 3.25Å; M234-I237 WeakPolarHBondContact O-CB 3.38Å; M234-I237 PolarHBondContact O-N 3.31Å; M234-I237 VanDerWaalsContact O-N 3.08Å; M234-I238 HydrophobicContact CG-CD1 3.86Å; M234-I238 HydrophobicContact CG-CG1 4.47Å; M234-I238 WeakPolarHBondContact O-CG1 3.48Å; M234-I238 PolarHBondContact O-N 2.83Å; M234-I238 HydrophobicContact SD-CD1 4.28Å; M234-I238 HydrophobicContact SD-CG1 4.44Å; M234-D265 WeakPolarHBondContact CB-OD1 3.29Å; M234-D265 PolarHBondContact N-OD2 3.07Å; M234-V637 HydrophobicContact CG-CG1 3.95Å
235S98.1Very high95.6Very high0 Ų019.2 Ų19.20%09%0.092CC..Hα-helixtrans-57.9-38.2173.8-74.40000112.4G232 I238 A239 F263 I264 D265G232-S235 PolarHBondContact O-N 3Å; S235-I238 PolarHBondContact O-N 3.33Å; S235-A239 WeakPolarHBondContact O-CB 3.46Å; S235-A239 PolarHBondContact O-N 2.96Å; S235-F263 WeakPolarHBondContact CB-O 3.47Å; S235-F263 VanDerWaalsContact OG-C 3.23Å; S235-F263 PolarHBondContact OG-O 3.33Å; S235-I264 WeakPolarHBondContact OG-CA 3.28Å; S235-I264 PolarHBondContact OG-N 3.34Å; S235-I264 VanDerWaalsContact OG-N 3.14Å; S235-D265 WeakPolarHBondContact CA-OD1 3.49Å; S235-D265 WeakPolarHBondContact CB-OD1 3.39Å; S235-D265 PolarHBondContact N-OD1 3.16Å; S235-D265 PolarHBondContact OG-N 3.09Å; S235-D265 VanDerWaalsContact OG-N 3.1Å; S235-D265 PolarHBondContact OG-OD1 2.99Å
236R97.3Very high95.3Very high39 Ų3917.6 Ų17.615%0.1479%0.092CC..Hα-helixtrans-61.7-43.2173.7-167.9-172.7-61.1106.78.1111.4N193 A230 G232 P233 M234 G240 E601 M603N193-R236 VanDerWaalsContact CA-NH1 3.31Å; N193-R236 PolarHBondContact O-NH1 3.46Å; N193-R236 VanDerWaalsContact OD1-CZ 3.28Å; N193-R236 PolarHBondContact OD1-NH1 3.4Å; N193-R236 PolarHBondContact OD1-NH2 2.88Å; A230-R236 HydrophobicContact CB-CB 4.32Å; G232-R236 PolarHBondContact O-N 3.16Å; P233-R236 WeakPolarHBondContact O-CB 3.4Å; P233-R236 PolarHBondContact O-N 2.87Å; M234-R236 VanDerWaalsContact C-N 3.28Å; M234-R236 PolarHBondContact O-N 3.25Å; R236-G240 PolarHBondContact O-N 3.37Å; R236-E601 IonicContact CZ-OE1 2.76Å; R236-E601 IonicContact CZ-OE2 3.68Å; R236-E601 IonicContact NE-OE1 3.42Å; R236-E601 PolarHBondContact NE-OE1 3.31Å; R236-E601 IonicContact NE-OE2 2.76Å; R236-E601 PolarHBondContact NE-OE2 2.69Å; R236-E601 IonicContact NH2-OE1 2.92Å; R236-E601 PolarHBondContact NH2-OE1 2.61Å; R236-E601 IonicContact NH2-OE2 3.4Å; R236-M603 HydrophobicContact CG-CE 3.59Å; R236-M603 HydrophobicContact CG-SD 3.83Å; R236-M603 WeakPolarHBondContact O-CE 3.36Å
237I97.6Very high95Very high15 Ų1522.7 Ų22.78%0.07712%0.116CC..Hα-helixtrans-64.3-48.6178.3-63.3173000110.7L195 L200 I208 P233 M234 G240 E241L195-I237 HydrophobicContact CB-CD1 4.13Å; L200-I237 HydrophobicContact CD1-CD1 4.01Å; L200-I237 HydrophobicContact CD1-CG2 4.07Å; L200-I237 HydrophobicContact CD2-CD1 4.34Å; L200-I237 HydrophobicContact CG-CD1 4.43Å; I208-I237 HydrophobicContact CD1-CG2 4.07Å; P233-I237 PolarHBondContact O-N 2.85Å; M234-I237 WeakPolarHBondContact O-CB 3.38Å; M234-I237 PolarHBondContact O-N 3.31Å; M234-I237 VanDerWaalsContact O-N 3.08Å; I237-G240 PolarHBondContact O-N 2.72Å; I237-E241 WeakPolarHBondContact O-CB 3.49Å; I237-E241 PolarHBondContact O-N 2.91Å
238I98.1Very high94.8Very high0 Ų020.5 Ų20.50%011%0.106CC..Hα-helixtrans-63.4-48.7-180-64.4166.5000110.8L168 I208 L211 V212 M234 S235 G240 E241 L242 F263 V637L168-I238 HydrophobicContact CD2-CD1 4.11Å; I208-I238 HydrophobicContact CG1-CG1 4.32Å; I208-I238 HydrophobicContact CG2-CG1 4.11Å; L211-I238 HydrophobicContact CD2-CG2 4.45Å; V212-I238 HydrophobicContact CG2-CG2 4.26Å; M234-I238 HydrophobicContact CG-CD1 3.86Å; M234-I238 HydrophobicContact CG-CG1 4.47Å; M234-I238 WeakPolarHBondContact O-CG1 3.48Å; M234-I238 PolarHBondContact O-N 2.83Å; M234-I238 HydrophobicContact SD-CD1 4.28Å; M234-I238 HydrophobicContact SD-CG1 4.44Å; S235-I238 PolarHBondContact O-N 3.33Å; I238-G240 VanDerWaalsContact C-N 3.31Å; I238-G240 PolarHBondContact O-N 3.41Å; I238-E241 PolarHBondContact O-N 2.96Å; I238-L242 WeakPolarHBondContact O-CB 3.42Å; I238-L242 PolarHBondContact O-N 3.46Å; I238-F263 HydrophobicContact CB-CD1 4.42Å; I238-F263 HydrophobicContact CG2-CD1 3.75Å; I238-F263 HydrophobicContact CG2-CE1 3.54Å; I238-F263 HydrophobicContact CG2-CG 4.5Å; I238-F263 HydrophobicContact CG2-CZ 4.12Å; I238-V637 HydrophobicContact CD1-CG1 3.89Å; I238-V637 HydrophobicContact CD1-CG2 3.77Å
239A97.3Very high94.4Very high0 Ų025.8 Ų25.80%013%0.128CC..Hα-helixtrans-64.2-36.9179.400000111.9A230 S235 A243 F263 M603A230-A239 HydrophobicContact CB-CB 3.96Å; S235-A239 WeakPolarHBondContact O-CB 3.46Å; S235-A239 PolarHBondContact O-N 2.96Å; A239-A243 VanDerWaalsContact O-CB 3.28Å; A239-A243 WeakPolarHBondContact O-CB 3.45Å; A239-A243 PolarHBondContact O-N 2.66Å; A239-F263 HydrophobicContact CB-CD2 3.6Å; A239-F263 HydrophobicContact CB-CE2 4.11Å; A239-F263 HydrophobicContact CB-CG 4.25Å; A239-M603 HydrophobicContact CB-CB 4.25Å; A239-M603 HydrophobicContact CB-CG 3.64Å
240G95.4Very high94Very high11 Ų1131.4 Ų31.411%0.11316%0.158CC..Hα-helixtrans-67-43.6174.600000113R236 I237 I238 A243 N244R236-G240 PolarHBondContact O-N 3.37Å; I237-G240 PolarHBondContact O-N 2.72Å; I238-G240 VanDerWaalsContact C-N 3.31Å; I238-G240 PolarHBondContact O-N 3.41Å; G240-A243 PolarHBondContact O-N 2.84Å; G240-N244 WeakPolarHBondContact O-CB 3.42Å; G240-N244 PolarHBondContact O-N 2.94Å; G240-N244 PolarHBondContact O-ND2 2.98Å
241E95.8Very high93.7Very high43 Ų4332.4 Ų32.420%0.20116%0.162CC..Hα-helixtrans-63.1-42.8174.3-17868.7-155.500110.7I208 K209 V212 I237 I238 N244 H245I208-E241 HydrophobicContact CG2-CB 4.31Å; I208-E241 HydrophobicContact CG2-CG 4.31Å; K209-E241 HydrophobicContact CG-CG 4.36Å; K209-E241 VanDerWaalsContact NZ-CD 3.25Å; K209-E241 IonicContact NZ-OE1 3.49Å; K209-E241 PolarHBondContact NZ-OE1 2.86Å; K209-E241 IonicContact NZ-OE2 2.74Å; K209-E241 PolarHBondContact NZ-OE2 3.41Å; V212-E241 HydrophobicContact CB-CG 4.27Å; V212-E241 HydrophobicContact CG1-CG 4.23Å; V212-E241 HydrophobicContact CG2-CB 4.07Å; V212-E241 HydrophobicContact CG2-CG 3.91Å; I237-E241 WeakPolarHBondContact O-CB 3.49Å; I237-E241 PolarHBondContact O-N 2.91Å; I238-E241 PolarHBondContact O-N 2.96Å; E241-N244 CarbonylContact O-C 3.56Å; E241-N244 PolarHBondContact O-N 3.15Å; E241-H245 PolarHBondContact O-N 3.01Å
242L95.6Very high93.4Very high0 Ų034.3 Ų34.30%017%0.169CC..Hα-helixtrans-60.3-51.7172.6179.263.2000110.9V212 F219 E226 I238 N244 H245 R252 I261 F263V212-L242 HydrophobicContact CG1-CB 4.07Å; V212-L242 HydrophobicContact CG1-CD1 3.98Å; V212-L242 HydrophobicContact CG2-CB 4.19Å; F219-L242 HydrophobicContact CE2-CD2 4.09Å; E226-L242 HydrophobicContact CG-CD2 4.39Å; I238-L242 WeakPolarHBondContact O-CB 3.42Å; I238-L242 PolarHBondContact O-N 3.46Å; L242-N244 PolarHBondContact O-N 3.41Å; L242-H245 WeakPolarHBondContact O-CB 3.27Å; L242-H245 PolarHBondContact O-N 3.47Å; L242-R252 PolarHBondContact O-NH2 3.01Å; L242-I261 HydrophobicContact CD2-CG2 4.39Å; L242-F263 HydrophobicContact CD2-CE2 3.85Å; L242-F263 HydrophobicContact CD2-CZ 3.78Å
243A92.1Very high93.1Very high7 Ų742 Ų426%0.05820%0.202CC..Hα-helixtrans-56.8-35-179.700000112.5A239 G240 R252 M603 G605A239-A243 VanDerWaalsContact O-CB 3.28Å; A239-A243 WeakPolarHBondContact O-CB 3.45Å; A239-A243 PolarHBondContact O-N 2.66Å; G240-A243 PolarHBondContact O-N 2.84Å; A243-R252 PolarHBondContact O-NH1 3.12Å; A243-M603 HydrophobicContact CB-CB 4.19Å; A243-G605 WeakPolarHBondContact O-CA 3.34Å
244N90.9Very high92.9Very high83 Ų8347.3 Ų47.344%0.44423%0.234SC..Hα-helixtrans-90.20.9177.9-68.2-58.1000114.6G240 E241 L242 N246 G605 G606G240-N244 WeakPolarHBondContact O-CB 3.42Å; G240-N244 PolarHBondContact O-N 2.94Å; G240-N244 PolarHBondContact O-ND2 2.98Å; E241-N244 CarbonylContact O-C 3.56Å; E241-N244 PolarHBondContact O-N 3.15Å; L242-N244 PolarHBondContact O-N 3.41Å; N244-N246 PolarHBondContact O-N 3.44Å; N244-N246 VanDerWaalsContact O-N 3.1Å; N244-G605 VanDerWaalsContact OD1-CA 3.3Å; N244-G605 WeakPolarHBondContact OD1-CA 3.49Å; N244-G606 PolarHBondContact OD1-N 3.49Å; N244-G606 VanDerWaalsContact OD1-N 3.11Å
245H91.5Very high92.6Very high18 Ų1848.1 Ų48.18%0.08324%0.241CC..  trans-61.1114-176.8-167.168.4000112.2V212 E241 L242 Q247 A248V212-H245 HydrophobicContact CG1-CB 4.09Å; E241-H245 PolarHBondContact O-N 3.01Å; L242-H245 WeakPolarHBondContact O-CB 3.27Å; L242-H245 PolarHBondContact O-N 3.47Å; H245-Q247 PolarHBondContact O-N 3.42Å; H245-A248 HydrophobicContact CB-CB 4.32Å; H245-A248 WeakPolarHBondContact O-CB 3.17Å; H245-A248 PolarHBondContact O-N 3.19Å; H245-A248 VanDerWaalsContact O-N 3.16Å
246N86.9Confident92.2Very high84 Ų8453.4 Ų53.445%0.44928%0.275SS..THydrogen-bonded Turntrans-61.4-40.4-170.9-79.5-29.7000113.5N244 A248 K249N244-N246 PolarHBondContact O-N 3.44Å; N244-N246 VanDerWaalsContact O-N 3.1Å; N246-A248 PolarHBondContact O-N 2.92Å; N246-K249 WeakPolarHBondContact O-CB 3.32Å; N246-K249 WeakPolarHBondContact O-CG 3.42Å; N246-K249 PolarHBondContact O-N 3.21Å; N246-K249 WeakPolarHBondContact OD1-CE 3.47Å; N246-K249 PolarHBondContact OD1-NZ 3.49Å
247Q86.9Confident91.8Very high116 Ų11653.4 Ų53.454%0.54228%0.278SS..THydrogen-bonded Turntrans-67.2-21.7-178.5-61.8177.2-11.900112.5H245 K249H245-Q247 PolarHBondContact O-N 3.42Å; Q247-K249 PolarHBondContact O-N 3.16Å
248A89.3Confident91.5Very high0 Ų058.2 Ų58.20%030%0.299CS..Hα-helixtrans-76.9-17.4177.800000114N216 H245 N246 N250 R251 R252N216-A248 VanDerWaalsContact OD1-CB 3.25Å; N216-A248 WeakPolarHBondContact OD1-CB 3.19Å; H245-A248 HydrophobicContact CB-CB 4.32Å; H245-A248 WeakPolarHBondContact O-CB 3.17Å; H245-A248 PolarHBondContact O-N 3.19Å; H245-A248 VanDerWaalsContact O-N 3.16Å; N246-A248 PolarHBondContact O-N 2.92Å; A248-N250 PolarHBondContact O-N 3.3Å; A248-R251 PolarHBondContact O-N 2.92Å; A248-R252 WeakPolarHBondContact O-CG 3.35Å; A248-R252 PolarHBondContact O-N 2.92Å
249K87.8Confident91.3Very high115 Ų11558.2 Ų58.250%0.530%0.299SS..Hα-helixtrans-57.5-43.8-169.6-76.5174.7173.1164.70113.3N246 Q247 K253N246-K249 WeakPolarHBondContact O-CB 3.32Å; N246-K249 WeakPolarHBondContact O-CG 3.42Å; N246-K249 PolarHBondContact O-N 3.21Å; N246-K249 WeakPolarHBondContact OD1-CE 3.47Å; N246-K249 PolarHBondContact OD1-NZ 3.49Å; Q247-K249 PolarHBondContact O-N 3.16Å; K249-K253 WeakPolarHBondContact O-CG 3.1Å
250N87.8Confident91.2Very high120 Ų12058.2 Ų58.264%0.64230%0.299SS*.Hα-helixtrans-74.1-44.4-179.6-72.6-18.8000111.2A248 R252 K253 T254A248-N250 PolarHBondContact O-N 3.3Å; N250-R252 VanDerWaalsContact C-N 3.34Å; N250-R252 PolarHBondContact O-N 3.44Å; N250-K253 WeakPolarHBondContact O-CB 3.45Å; N250-K253 PolarHBondContact O-N 3.49Å; N250-T254 PolarHBondContact O-N 2.77Å; N250-T254 PolarHBondContact O-OG1 3.1Å
251R92.6Very high91.3Very high22 Ų2257.7 Ų57.78%0.08329%0.293CS..Hα-helixtrans-54-49.4175.6-175.1-166.771.3-137.4-8.6111.5N216 F219 E220 M224 E226 A248 K253 T254 A255N216-R251 PolarHBondContact O-NH1 3.1Å; N216-R251 PolarHBondContact OD1-NH1 2.84Å; N216-R251 PolarHBondContact OD1-NH2 2.86Å; F219-R251 VanDerWaalsContact CB-CZ 3.45Å; E220-R251 VanDerWaalsContact CA-CD 3.45Å; M224-R251 VanDerWaalsContact O-CD 3.32Å; M224-R251 WeakPolarHBondContact O-CD 3.5Å; M224-R251 PolarHBondContact O-NE 3.47Å; E226-R251 IonicContact OE1-NH2 3.74Å; E226-R251 PolarHBondContact OE1-NH2 3.19Å; E226-R251 IonicContact OE2-CZ 2.7Å; E226-R251 IonicContact OE2-NE 3.6Å; E226-R251 IonicContact OE2-NH2 3.46Å; E226-R251 PolarHBondContact OE2-NH2 3.44Å; A248-R251 PolarHBondContact O-N 2.92Å; R251-K253 PolarHBondContact O-N 3.37Å; R251-K253 VanDerWaalsContact O-N 3.08Å; R251-T254 PolarHBondContact O-N 3.28Å; R251-T254 VanDerWaalsContact O-N 3.08Å; R251-A255 HydrophobicContact CG-CB 4.12Å; R251-A255 WeakPolarHBondContact O-CB 3.28Å; R251-A255 PolarHBondContact O-N 3.48Å
252R90.9Very high91.4Very high40 Ų4055.7 Ų55.715%0.15128%0.284CS..Hα-helixtrans-62.4-19.1-178.6-69.9178.5-169144.24.1114R225 E226 L242 A243 A248 N250R225-R252 WeakPolarHBondContact CD-O 3.49Å; R225-R252 HydrophobicContact CG-CB 4.21Å; R225-R252 HydrophobicContact CG-CG 4.4Å; E226-R252 VanDerWaalsContact CD-NE 3.35Å; E226-R252 IonicContact OE1-CZ 3Å; E226-R252 IonicContact OE1-NE 2.75Å; E226-R252 PolarHBondContact OE1-NE 3Å; E226-R252 IonicContact OE1-NH2 2.61Å; E226-R252 PolarHBondContact OE1-NH2 2.99Å; E226-R252 IonicContact OE2-NE 3.24Å; E226-R252 PolarHBondContact OE2-NE 2.79Å; L242-R252 PolarHBondContact O-NH2 3.01Å; A243-R252 PolarHBondContact O-NH1 3.12Å; A248-R252 WeakPolarHBondContact O-CG 3.35Å; A248-R252 PolarHBondContact O-N 2.92Å; N250-R252 VanDerWaalsContact C-N 3.34Å; N250-R252 PolarHBondContact O-N 3.44Å
253K89.8Confident91.6Very high165 Ų16555.7 Ų55.772%0.71728%0.284SS*.Hα-helixtrans-83.5-34.7174.7-69.3174.8-177.4176.40112.7K249 N250 R251K249-K253 WeakPolarHBondContact O-CG 3.1Å; N250-K253 WeakPolarHBondContact O-CB 3.45Å; N250-K253 PolarHBondContact O-N 3.49Å; R251-K253 PolarHBondContact O-N 3.37Å; R251-K253 VanDerWaalsContact O-N 3.08Å
254T91.1Very high91.9Very high115 Ų11555.4 Ų55.471%0.70628%0.281SS*.Hα-helixtrans-109.1-18.4-168.657.60000114.1N250 R251N250-T254 PolarHBondContact O-N 2.77Å; N250-T254 PolarHBondContact O-OG1 3.1Å; R251-T254 PolarHBondContact O-N 3.28Å; R251-T254 VanDerWaalsContact O-N 3.08Å
255A91.4Very high92.3Very high18 Ų1851.5 Ų51.515%0.14926%0.26CS..  trans-60.8130.6-175.400000112.2G223 M224 R225 R251G223-A255 WeakPolarHBondContact O-CB 3.37Å; M224-A255 VanDerWaalsContact C-CB 3.46Å; R225-A255 HydrophobicContact CB-CB 4.04Å; R251-A255 HydrophobicContact CG-CB 4.12Å; R251-A255 WeakPolarHBondContact O-CB 3.28Å; R251-A255 PolarHBondContact O-N 3.48Å
256P89.1Confident92.6Very high110 Ų11050.8 Ų50.871%0.71426%0.257SS*.SBendtrans-76.5-30.9-177.929.4-36.8000113.5G223G223-P256 VanDerWaalsContact O-CD 3.24Å; G223-P256 WeakPolarHBondContact O-CD 3.45Å
257N90.3Very high93Very high40 Ų4046.9 Ų46.921%0.21424%0.236CC..EExtended strand (participates in β ladder)trans-91.8145-176.7-60.1-46000110.2A222 G223 M224 R225A222-N257 PolarHBondContact O-ND2 3.01Å; G223-N257 WeakPolarHBondContact O-CB 3.36Å; G223-N257 PolarHBondContact O-N 3.36Å; M224-N257 HydrophobicContact CB-CB 4.48Å; M224-N257 HydrophobicContact CG-CB 4.47Å; R225-N257 PolarHBondContact N-O 3.41Å
258K91.6Very high93.4Very high116 Ų11641.3 Ų41.350%0.50421%0.21SC..EExtended strand (participates in β ladder)trans-122.2140.3176.5-58.6-178.3-177.3177.20110.8R225 N629R225-K258 CarbonylContact O-C 3.21Å; R225-K258 VanDerWaalsContact O-CA 3.29Å; R225-K258 WeakPolarHBondContact O-CA 3.27Å; K258-N629 HydrophobicContact CB-CB 4.38Å; K258-N629 VanDerWaalsContact CB-OD1 3.3Å; K258-N629 WeakPolarHBondContact CB-OD1 3.12Å
259A93Very high93.8Very high0 Ų041.3 Ų41.30%021%0.21CC..EExtended strand (participates in β ladder)trans-145160.717300000111.2M224 R225 E226 E227 L631 F633M224-A259 HydrophobicContact CE-CB 4.23Å; M224-A259 HydrophobicContact CG-CB 4.04Å; M224-A259 HydrophobicContact SD-CB 3.3Å; M224-A259 WeakPolarHBondContact SD-CB 3.27Å; R225-A259 PolarHBondContact O-N 3.06Å; E226-A259 CarbonylContact C-O 3.55Å; E226-A259 VanDerWaalsContact CA-O 3.27Å; E226-A259 WeakPolarHBondContact CA-O 3.39Å; E227-A259 PolarHBondContact N-O 2.99Å; A259-L631 CarbonylContact C-O 3.59Å; A259-L631 VanDerWaalsContact CA-O 3.26Å; A259-L631 WeakPolarHBondContact CA-O 3.26Å; A259-L631 HydrophobicContact CB-CB 3.96Å; A259-L631 HydrophobicContact CB-CD2 4.2Å; A259-L631 HydrophobicContact CB-CG 4.13Å; A259-L631 WeakPolarHBondContact CB-O 3.16Å; A259-F633 HydrophobicContact CB-CD2 3.9Å; A259-F633 HydrophobicContact CB-CE2 3.56Å
260S95.3Very high94.2Very high0 Ų035.9 Ų35.90%019%0.187CC..EExtended strand (participates in β ladder)trans-107.4145.4166.4-58.40000109.2E227 P626 N629 L631 L632 F633E227-S260 CarbonylContact O-C 3.41Å; E227-S260 WeakPolarHBondContact O-CA 3.48Å; S260-P626 WeakPolarHBondContact CB-O 3.31Å; S260-P626 WeakPolarHBondContact OG-CA 3.17Å; S260-P626 PolarHBondContact OG-O 3.14Å; S260-N629 PolarHBondContact OG-ND2 3.48Å; S260-L631 PolarHBondContact N-O 3.24Å; S260-L632 CarbonylContact O-C 3.5Å; S260-L632 WeakPolarHBondContact O-CA 3.09Å; S260-F633 PolarHBondContact O-N 3.25Å
261I97.6Very high94.5Very high0 Ų030.2 Ų30.20%016%0.156CC..EExtended strand (participates in β ladder)trans-125.5127.8170.8-178.2163.3000109.2F219 E226 E227 F229 L242 F263 F633 F635F219-I261 HydrophobicContact CZ-CD1 3.93Å; E226-I261 HydrophobicContact CB-CG2 4.38Å; E227-I261 PolarHBondContact O-N 3.47Å; F229-I261 PolarHBondContact N-O 3.17Å; L242-I261 HydrophobicContact CD2-CG2 4.39Å; I261-F263 HydrophobicContact CB-CE2 4.42Å; I261-F263 HydrophobicContact CD1-CE1 4.14Å; I261-F263 HydrophobicContact CD1-CE2 3.74Å; I261-F263 HydrophobicContact CD1-CZ 3.51Å; I261-F263 HydrophobicContact CG1-CD2 4.14Å; I261-F263 HydrophobicContact CG1-CE2 3.73Å; I261-F263 HydrophobicContact CG1-CZ 4.03Å; I261-F263 HydrophobicContact CG2-CE2 3.85Å; I261-F633 CarbonylContact C-O 3.51Å; I261-F633 WeakPolarHBondContact CA-O 3.46Å; I261-F633 HydrophobicContact CB-CB 3.95Å; I261-F633 HydrophobicContact CD1-CB 4.17Å; I261-F633 HydrophobicContact CG1-CB 3.83Å; I261-F635 HydrophobicContact CD1-CB 4.06Å; I261-F635 HydrophobicContact CD1-CD2 4.41Å; I261-F635 HydrophobicContact CG1-CB 4.24Å
262I98.6Very high94.5Very high0 Ų029.3 Ų29.30%015%0.154CC..EExtended strand (participates in β ladder)trans-109.3115.2173.6-49.9176.1000107.6F229 V231 I264 I585 V589 I600 P626 L632 F633 L634 F635F229-I262 HydrophobicContact CB-CB 4.43Å; F229-I262 HydrophobicContact CB-CG1 4.09Å; F229-I262 HydrophobicContact CB-CG2 4.35Å; F229-I262 WeakPolarHBondContact O-CA 3.43Å; V231-I262 HydrophobicContact CG2-CG2 4.06Å; I262-I264 HydrophobicContact CG2-CD1 4.28Å; I262-I264 HydrophobicContact CG2-CG1 3.86Å; I262-I585 HydrophobicContact CD1-CG2 4.14Å; I262-V589 HydrophobicContact CD1-CG2 3.77Å; I262-I600 HydrophobicContact CG2-CG2 4.44Å; I262-P626 HydrophobicContact CD1-CB 3.75Å; I262-P626 HydrophobicContact CD1-CG 3.79Å; I262-P626 HydrophobicContact CG1-CB 4.08Å; I262-P626 HydrophobicContact CG1-CG 4.11Å; I262-L632 HydrophobicContact CD1-CD1 3.91Å; I262-L632 HydrophobicContact CG1-CD1 3.93Å; I262-F633 PolarHBondContact N-O 3.01Å; I262-L634 HydrophobicContact CB-CD2 4.22Å; I262-L634 HydrophobicContact CD1-CD2 4.07Å; I262-L634 HydrophobicContact CG1-CD2 4.45Å; I262-F635 PolarHBondContact O-N 3.31Å
263F98.8Very high94.7Very high0 Ų027.4 Ų27.40%015%0.146CC..EExtended strand (participates in β ladder)trans-83.3131.7169.8-66.5-94000109.4L215 F229 A230 V231 S235 I238 A239 L242 I261 F635 V637L215-F263 HydrophobicContact CD1-CE1 3.83Å; L215-F263 HydrophobicContact CD1-CZ 3.78Å; F229-F263 PolarHBondContact O-N 2.98Å; A230-F263 CarbonylContact C-O 3.57Å; A230-F263 WeakPolarHBondContact CA-O 3.45Å; V231-F263 PolarHBondContact N-O 3.4Å; S235-F263 WeakPolarHBondContact CB-O 3.47Å; S235-F263 VanDerWaalsContact OG-C 3.23Å; S235-F263 PolarHBondContact OG-O 3.33Å; I238-F263 HydrophobicContact CB-CD1 4.42Å; I238-F263 HydrophobicContact CG2-CD1 3.75Å; I238-F263 HydrophobicContact CG2-CE1 3.54Å; I238-F263 HydrophobicContact CG2-CG 4.5Å; I238-F263 HydrophobicContact CG2-CZ 4.12Å; A239-F263 HydrophobicContact CB-CD2 3.6Å; A239-F263 HydrophobicContact CB-CE2 4.11Å; A239-F263 HydrophobicContact CB-CG 4.25Å; L242-F263 HydrophobicContact CD2-CE2 3.85Å; L242-F263 HydrophobicContact CD2-CZ 3.78Å; I261-F263 HydrophobicContact CB-CE2 4.42Å; I261-F263 HydrophobicContact CD1-CE1 4.14Å; I261-F263 HydrophobicContact CD1-CE2 3.74Å; I261-F263 HydrophobicContact CD1-CZ 3.51Å; I261-F263 HydrophobicContact CG1-CD2 4.14Å; I261-F263 HydrophobicContact CG1-CE2 3.73Å; I261-F263 HydrophobicContact CG1-CZ 4.03Å; I261-F263 HydrophobicContact CG2-CE2 3.85Å; F263-F635 CarbonylContact C-O 3.51Å; F263-F635 WeakPolarHBondContact CA-O 3.25Å; F263-F635 HydrophobicContact CD1-CB 3.61Å; F263-F635 AromaticContact CD1-CD1 3.72Å; F263-F635 HydrophobicContact CD1-CD1 3.72Å; F263-F635 HydrophobicContact CD1-CD2 4.36Å; F263-F635 AromaticContact CD1-CG 3.62Å; F263-F635 HydrophobicContact CD1-CG 3.62Å; F263-F635 HydrophobicContact CE1-CB 3.82Å; F263-F635 AromaticContact CE1-CD1 3.97Å; F263-F635 HydrophobicContact CE1-CD1 3.97Å; F263-F635 AromaticContact CE1-CD2 3.85Å; F263-F635 HydrophobicContact CE1-CD2 3.85Å; F263-F635 HydrophobicContact CE1-CE2 4.48Å; F263-F635 AromaticContact CE1-CG 3.59Å; F263-F635 HydrophobicContact CE1-CG 3.59Å; F263-F635 HydrophobicContact CG-CB 4.2Å; F263-V637 HydrophobicContact CD1-CG2 4.39Å
264I98.8Very high94.9Very high2 Ų219.5 Ų19.51%0.0111%0.112CC..EExtended strand (participates in β ladder)trans-130.9122-173.7-55166000108.6S235 I262 F581 L582 I585 L634 F635 L636 V637S235-I264 WeakPolarHBondContact OG-CA 3.28Å; S235-I264 PolarHBondContact OG-N 3.34Å; S235-I264 VanDerWaalsContact OG-N 3.14Å; I262-I264 HydrophobicContact CG2-CD1 4.28Å; I262-I264 HydrophobicContact CG2-CG1 3.86Å; I264-F581 HydrophobicContact CG2-CD1 4.22Å; I264-F581 HydrophobicContact CG2-CE1 4.06Å; I264-L582 HydrophobicContact CD1-CD2 3.66Å; I264-I585 HydrophobicContact CD1-CD1 3.56Å; I264-I585 HydrophobicContact CG1-CD1 3.88Å; I264-I585 HydrophobicContact CG2-CD1 4.07Å; I264-L634 HydrophobicContact CD1-CB 4.45Å; I264-L634 HydrophobicContact CD1-CD2 4.23Å; I264-F635 PolarHBondContact N-O 3.3Å; I264-L636 HydrophobicContact CB-CD1 4.41Å; I264-L636 HydrophobicContact CD1-CD1 4Å; I264-V637 PolarHBondContact O-N 2.92Å
265D98.5Very high94.9Very high1 Ų114 Ų141%0.0058%0.079CC..EExtended strand (participates in β ladder)trans-71.8128.4175.1-78.4-0.3000110.3P170 V231 G232 P233 M234 S235 T267 M268P170-D265 HydrophobicContact CB-CB 3.89Å; P170-D265 HydrophobicContact CG-CB 3.6Å; V231-D265 PolarHBondContact O-N 2.9Å; G232-D265 WeakPolarHBondContact CA-OD2 3.24Å; P233-D265 VanDerWaalsContact CD-OD2 3.28Å; P233-D265 WeakPolarHBondContact CD-OD2 3.47Å; M234-D265 WeakPolarHBondContact CB-OD1 3.29Å; M234-D265 PolarHBondContact N-OD2 3.07Å; S235-D265 WeakPolarHBondContact CA-OD1 3.49Å; S235-D265 WeakPolarHBondContact CB-OD1 3.39Å; S235-D265 PolarHBondContact N-OD1 3.16Å; S235-D265 PolarHBondContact OG-N 3.09Å; S235-D265 VanDerWaalsContact OG-N 3.1Å; S235-D265 PolarHBondContact OG-OD1 2.99Å; D265-T267 PolarHBondContact O-N 3.49Å; D265-M268 HydrophobicContact CB-CE 4.45Å; D265-M268 HydrophobicContact CB-CG 4.08Å; D265-M268 VanDerWaalsContact O-CB 3.31Å; D265-M268 WeakPolarHBondContact O-CB 3.34Å; D265-M268 WeakPolarHBondContact O-CG 3.39Å; D265-M268 PolarHBondContact O-N 2.97Å
266R97.8Very high94.8Very high2 Ų213.6 Ų13.61%0.0087%0.074CC..G310 helixtrans-57.5-31.2176.9-18067-66.8159.7-7.3113F169 P170 M268 D269 L270 V637 G639 E644 L669 I674F169-R266 HydrophobicContact CE2-CB 4.04Å; F169-R266 HydrophobicContact CE2-CG 3.88Å; F169-R266 HydrophobicContact CZ-CB 4.47Å; F169-R266 HydrophobicContact CZ-CG 4.31Å; P170-R266 HydrophobicContact CG-CB 4.42Å; R266-M268 PolarHBondContact O-N 3.48Å; R266-M268 VanDerWaalsContact O-N 3.17Å; R266-D269 PolarHBondContact NE-O 3.29Å; R266-D269 PolarHBondContact NH2-O 3.3Å; R266-D269 CarbonylContact O-C 3.52Å; R266-D269 PolarHBondContact O-N 3.04Å; R266-D269 VanDerWaalsContact O-O 3.05Å; R266-L270 HydrophobicContact CG-CD2 3.81Å; R266-V637 WeakPolarHBondContact CB-O 3.31Å; R266-V637 PolarHBondContact N-O 3.3Å; R266-G639 WeakPolarHBondContact CD-O 3.18Å; R266-G639 PolarHBondContact NH1-O 3.41Å; R266-E644 IonicContact CZ-OE1 3.61Å; R266-E644 IonicContact CZ-OE2 2.69Å; R266-E644 IonicContact NH1-OE1 3.52Å; R266-E644 PolarHBondContact NH1-OE1 3.44Å; R266-E644 IonicContact NH1-OE2 3.62Å; R266-E644 PolarHBondContact NH1-OE2 3.26Å; R266-E644 IonicContact NH2-OE1 2.8Å; R266-E644 PolarHBondContact NH2-OE1 3.2Å; R266-L669 HydrophobicContact CG-CD1 4.44Å; R266-I674 HydrophobicContact CG-CD1 4.09Å
267T96Very high94.7Very high2 Ų211.8 Ų11.81%0.0126%0.055CC..G310 helixtrans-64.7-14176.751.80000113.7F169 P170 L172 D265 D269 M556F169-T267 HydrophobicContact CD1-CG2 4.48Å; F169-T267 HydrophobicContact CE1-CG2 3.62Å; F169-T267 HydrophobicContact CZ-CG2 4.03Å; P170-T267 HydrophobicContact CB-CG2 3.8Å; P170-T267 WeakPolarHBondContact CB-OG1 3.25Å; P170-T267 HydrophobicContact CG-CG2 4.16Å; L172-T267 HydrophobicContact CD2-CG2 3.76Å; D265-T267 PolarHBondContact O-N 3.49Å; T267-D269 PolarHBondContact O-N 2.99Å; T267-M556 HydrophobicContact CG2-CE 4.48Å
268M95.9Very high94.3Very high0 Ų010.1 Ų10.10%05%0.047CC..G310 helixtrans-68.6-22.3171.2-59.3-59.793.700111.9V231 D265 R266 M556 R557 L560 F581V231-M268 HydrophobicContact CG1-CG 4.44Å; D265-M268 HydrophobicContact CB-CE 4.45Å; D265-M268 HydrophobicContact CB-CG 4.08Å; D265-M268 VanDerWaalsContact O-CB 3.31Å; D265-M268 WeakPolarHBondContact O-CB 3.34Å; D265-M268 WeakPolarHBondContact O-CG 3.39Å; D265-M268 PolarHBondContact O-N 2.97Å; R266-M268 PolarHBondContact O-N 3.48Å; R266-M268 VanDerWaalsContact O-N 3.17Å; M268-M556 HydrophobicContact CE-CB 4.23Å; M268-M556 HydrophobicContact CE-CE 4.06Å; M268-M556 WeakPolarHBondContact CE-O 3.33Å; M268-R557 VanDerWaalsContact O-CD 3.27Å; M268-R557 WeakPolarHBondContact O-CD 3.44Å; M268-R557 PolarHBondContact O-NH1 2.98Å; M268-R557 HydrophobicContact SD-CG 4.35Å; M268-L560 HydrophobicContact SD-CD1 4.01Å; M268-F581 HydrophobicContact CB-CD1 3.85Å; M268-F581 HydrophobicContact CB-CE1 3.47Å; M268-F581 VanDerWaalsContact CB-CE1 3.47Å; M268-F581 HydrophobicContact CB-CE2 4.22Å; M268-F581 HydrophobicContact CB-CG 4.37Å; M268-F581 HydrophobicContact CB-CZ 3.69Å; M268-F581 HydrophobicContact CG-CE1 3.99Å; M268-F581 HydrophobicContact CG-CZ 4.09Å
269D96.3Very high94.2Very high0 Ų08 Ų80%04%0.041CC..  trans-156.697.8174.8-177.1-3.8000110.6R266 T267 T271 G272 V566 Y578 F581R266-D269 PolarHBondContact NE-O 3.29Å; R266-D269 PolarHBondContact NH2-O 3.3Å; R266-D269 CarbonylContact O-C 3.52Å; R266-D269 PolarHBondContact O-N 3.04Å; R266-D269 VanDerWaalsContact O-O 3.05Å; T267-D269 PolarHBondContact O-N 2.99Å; D269-T271 PolarHBondContact OD1-N 3.25Å; D269-G272 PolarHBondContact OD1-N 3.32Å; D269-V566 HydrophobicContact CB-CG1 4.4Å; D269-Y578 PolarHBondContact OD1-OH 3.26Å; D269-Y578 PolarHBondContact OD2-OH 3.43Å; D269-F581 HydrophobicContact CB-CB 3.44Å; D269-F581 VanDerWaalsContact CB-CB 3.44Å; D269-F581 HydrophobicContact CB-CG 4.21Å; D269-F581 VanDerWaalsContact OD2-CB 3.31Å; D269-F581 WeakPolarHBondContact OD2-CB 3.4Å; D269-F581 PolarHBondContact OD2-N 3.08Å
270L96.9Very high94.3Very high1 Ų18 Ų81%0.0054%0.041CC..  trans-93.3-20.7172.2-61.5171.8000112F169 R266 G272 A273 V274 I477 T481 L553 I674 L678F169-L270 HydrophobicContact CZ-CD2 4.04Å; R266-L270 HydrophobicContact CG-CD2 3.81Å; L270-G272 VanDerWaalsContact C-N 3.29Å; L270-G272 PolarHBondContact O-N 3.42Å; L270-A273 WeakPolarHBondContact O-CA 3.33Å; L270-A273 PolarHBondContact O-N 2.91Å; L270-V274 WeakPolarHBondContact O-CG2 2.9Å; L270-V274 PolarHBondContact O-N 3.01Å; L270-I477 HydrophobicContact CB-CG2 4.29Å; L270-I477 HydrophobicContact CD1-CG2 4.36Å; L270-T481 HydrophobicContact CB-CG2 4.16Å; L270-L553 HydrophobicContact CD1-CD1 3.91Å; L270-L553 HydrophobicContact CD1-CD2 3.81Å; L270-L553 HydrophobicContact CD1-CG 4.42Å; L270-I674 HydrophobicContact CD2-CD1 4.09Å; L270-I674 HydrophobicContact CD2-CG2 4.03Å; L270-L678 HydrophobicContact CD1-CD1 4.2Å; L270-L678 HydrophobicContact CD1-CD2 4.29Å
271T94.6Very high94.3Very high0 Ų08 Ų80%04%0.041CC..Hα-helixtrans-55.2-45.5180-53.70000111.1D269 A273 G275 Y478 T481 L482 Y578D269-T271 PolarHBondContact OD1-N 3.25Å; T271-A273 VanDerWaalsContact C-N 3.29Å; T271-A273 PolarHBondContact O-N 3.18Å; T271-G275 WeakPolarHBondContact O-CA 3.47Å; T271-G275 PolarHBondContact O-N 2.89Å; T271-Y478 HydrophobicContact CG2-CD2 3.83Å; T271-Y478 HydrophobicContact CG2-CE2 3.4Å; T271-Y478 VanDerWaalsContact CG2-CE2 3.4Å; T271-T481 WeakPolarHBondContact OG1-CG2 3.32Å; T271-L482 HydrophobicContact CG2-CD1 4Å; T271-L482 HydrophobicContact CG2-CD2 4.03Å; T271-L482 HydrophobicContact CG2-CG 4.16Å; T271-Y578 HydrophobicContact CG2-CD2 3.64Å; T271-Y578 HydrophobicContact CG2-CE2 3.84Å; T271-Y578 HydrophobicContact CG2-CG 4.05Å
272G92.3Very high94.2Very high3 Ų38 Ų83%0.0314%0.041CC..Hα-helixtrans-60-36.717400000113.9D269 L270 Y578D269-G272 PolarHBondContact OD1-N 3.32Å; L270-G272 VanDerWaalsContact C-N 3.29Å; L270-G272 PolarHBondContact O-N 3.42Å; G272-Y578 WeakPolarHBondContact CA-OH 3.39Å; G272-Y578 PolarHBondContact N-OH 2.91Å
273A95.1Very high94Very high0 Ų08.1 Ų8.10%04%0.042CC..Hα-helixtrans-85.4-33.7-171.200000113.6L270 T271 T641 L669 P671 I674L270-A273 WeakPolarHBondContact O-CA 3.33Å; L270-A273 PolarHBondContact O-N 2.91Å; T271-A273 VanDerWaalsContact C-N 3.29Å; T271-A273 PolarHBondContact O-N 3.18Å; A273-T641 HydrophobicContact CB-CG2 4.21Å; A273-L669 HydrophobicContact CB-CD1 4.32Å; A273-P671 WeakPolarHBondContact O-CA 3.49Å; A273-I674 HydrophobicContact CB-CD1 3.96Å; A273-I674 HydrophobicContact CB-CG1 3.81Å
274V94.9Very high93.8Very high0 Ų09 Ų90%05%0.046CC..Hα-helixtrans-93.3-15.1176.7-56.70000113.3L270 L474 I477 Y478 I674L270-V274 WeakPolarHBondContact O-CG2 2.9Å; L270-V274 PolarHBondContact O-N 3.01Å; V274-L474 HydrophobicContact CB-CD2 4.03Å; V274-L474 HydrophobicContact CG1-CD2 4.06Å; V274-I477 HydrophobicContact CG1-CB 4.28Å; V274-I477 HydrophobicContact CG1-CD1 4.49Å; V274-I477 HydrophobicContact CG1-CG2 3.8Å; V274-I477 HydrophobicContact CG2-CB 4.43Å; V274-I477 HydrophobicContact CG2-CG2 4.18Å; V274-Y478 HydrophobicContact CG2-CD2 4.18Å; V274-I674 HydrophobicContact CG1-CB 3.69Å; V274-I674 HydrophobicContact CG1-CG1 4.01Å; V274-I674 HydrophobicContact CG1-CG2 3.54Å
275G90.4Very high93.7Very high0 Ų09 Ų90%05%0.046CC..  trans-77.4149.2-175.300000114.1T271 H277 E424T271-G275 WeakPolarHBondContact O-CA 3.47Å; T271-G275 PolarHBondContact O-N 2.89Å; G275-H277 VanDerWaalsContact C-N 3.34Å; G275-E424 WeakPolarHBondContact CA-OE1 3.46Å
276H90.1Very high93.5Very high9 Ų99.1 Ų9.14%0.0425%0.046CC..SBendtrans-94.813.4-179.3-63.272000113G278 W417 C420 L421 E424H276-G278 VanDerWaalsContact C-N 3.25Å; H276-G278 PolarHBondContact O-N 2.96Å; H276-W417 HydrophobicContact CB-CD2 4.15Å; H276-W417 HydrophobicContact CB-CG 4.45Å; H276-W417 HydrophobicContact CB-CZ2 3.99Å; H276-W417 AromaticContact CD2-CD2 3.36Å; H276-W417 AromaticContact CD2-CE2 3.86Å; H276-W417 AromaticContact CD2-CE3 3.28Å; H276-W417 AromaticContact CD2-CG 3.75Å; H276-W417 AromaticContact CD2-CZ3 3.72Å; H276-W417 AromaticContact NE2-CE3 3.96Å; H276-W417 PolarHBondContact O-NE1 3.35Å; H276-W417 VanDerWaalsContact O-NE1 3.08Å; H276-C420 HydrophobicContact CB-CB 4.4Å; H276-L421 HydrophobicContact CB-CB 3.9Å; H276-E424 IonicContact CE1-OE1 3.25Å; H276-E424 IonicContact CG-OE1 3.63Å; H276-E424 VanDerWaalsContact N-CD 3.27Å; H276-E424 PolarHBondContact N-OE1 2.79Å; H276-E424 PolarHBondContact N-OE2 2.87Å; H276-E424 IonicContact ND1-OE1 3.88Å; H276-E424 PolarHBondContact ND1-OE1 3.3Å
277H85.7Confident93.2Very high72 Ų7211 Ų1133%0.3336%0.059SC..  trans-78.8-5.2-177.559.9-84.2000113.8G275 D279 L421 Y578G275-H277 VanDerWaalsContact C-N 3.34Å; H277-D279 PolarHBondContact O-N 3.43Å; H277-L421 HydrophobicContact CB-CD1 4.02Å; H277-Y578 AromaticContact CE1-CD1 3.94Å; H277-Y578 AromaticContact CE1-CE1 3.74Å; H277-Y578 AromaticContact NE2-CD1 3.63Å; H277-Y578 AromaticContact NE2-CE1 3.31Å; H277-Y578 VanDerWaalsContact NE2-CE1 3.31Å; H277-Y578 WeakPolarHBondContact NE2-CE1 3.37Å
278G82.5Confident93Very high4 Ų411.4 Ų11.44%0.0416%0.061CC..  trans-64.7109.1175.200000113.3H276 N280 S643H276-G278 VanDerWaalsContact C-N 3.25Å; H276-G278 PolarHBondContact O-N 2.96Å; G278-N280 PolarHBondContact O-N 2.9Å; G278-N280 VanDerWaalsContact O-N 3.12Å; G278-S643 WeakPolarHBondContact CA-OG 3.34Å
279D88.8Confident92.9Very high71 Ų7112 Ų1238%0.386%0.064SC..  trans-84.555.1171.8-177.231.9000111.5H277 K343 H344 R646H277-D279 PolarHBondContact O-N 3.43Å; D279-K343 WeakPolarHBondContact O-CA 3.41Å; D279-H344 PolarHBondContact O-N 3.2Å; D279-H344 WeakPolarHBondContact OD1-CB 3.09Å; D279-R646 PolarHBondContact O-NH1 2.9Å
280N94.6Very high92.7Very high0 Ų016.5 Ų16.50%09%0.088CC..  trans-128.1137.3-173.3-173.7-78.2000111.7G278 A282 E283 K284 M339 L340 S342G278-N280 PolarHBondContact O-N 2.9Å; G278-N280 VanDerWaalsContact O-N 3.12Å; N280-A282 WeakPolarHBondContact OD1-CA 3.34Å; N280-A282 WeakPolarHBondContact OD1-CB 3.21Å; N280-A282 PolarHBondContact OD1-N 3.05Å; N280-E283 HydrophobicContact CB-CB 3.93Å; N280-E283 PolarHBondContact OD1-N 3.28Å; N280-K284 PolarHBondContact O-N 3.14Å; N280-M339 PolarHBondContact ND2-O 3.38Å; N280-M339 PolarHBondContact OD1-O 2.89Å; N280-L340 PolarHBondContact ND2-O 3.06Å; N280-S342 PolarHBondContact ND2-O 3.34Å
281L95.8Very high92.5Very high0 Ų019.4 Ų19.40%011%0.107CC..Hα-helixtrans-75.3-43-178.3177.861.5000112.4E283 K284 I285 M339 A347 L348 V351 T405L281-E283 VanDerWaalsContact C-N 3.28Å; L281-E283 PolarHBondContact O-N 3.08Å; L281-K284 PolarHBondContact O-N 2.91Å; L281-I285 HydrophobicContact CD1-CD1 4.19Å; L281-I285 HydrophobicContact CD1-CG1 4.32Å; L281-I285 HydrophobicContact CG-CD1 3.91Å; L281-I285 HydrophobicContact CG-CG1 4.49Å; L281-I285 WeakPolarHBondContact O-CG1 3.41Å; L281-I285 PolarHBondContact O-N 3.03Å; L281-M339 HydrophobicContact CD2-CE 4Å; L281-M339 HydrophobicContact CD2-CG 4.28Å; L281-M339 HydrophobicContact CG-CE 4.2Å; L281-A347 HydrophobicContact CB-CB 3.76Å; L281-A347 HydrophobicContact CD2-CB 3.84Å; L281-A347 HydrophobicContact CG-CB 4.47Å; L281-L348 HydrophobicContact CD1-CD2 3.94Å; L281-L348 HydrophobicContact CD1-CG 4.48Å; L281-L348 HydrophobicContact CD2-CD2 3.88Å; L281-L348 HydrophobicContact CD2-CG 4.3Å; L281-V351 HydrophobicContact CD2-CG2 4.08Å; L281-T405 HydrophobicContact CD1-CG2 4.24Å; L281-T405 HydrophobicContact CD2-CG2 4.05Å
282A96Very high92.5Very high0 Ų020.2 Ų20.20%011%0.111CC..Hα-helixtrans-62.1-39179.100000111.3N280 I285 L286 W336 M339 L340 P642N280-A282 WeakPolarHBondContact OD1-CA 3.34Å; N280-A282 WeakPolarHBondContact OD1-CB 3.21Å; N280-A282 PolarHBondContact OD1-N 3.05Å; A282-I285 WeakPolarHBondContact O-CB 3.49Å; A282-I285 PolarHBondContact O-N 3.36Å; A282-L286 WeakPolarHBondContact O-CB 3.49Å; A282-L286 VanDerWaalsContact O-CG 3.24Å; A282-L286 WeakPolarHBondContact O-CG 3.42Å; A282-L286 PolarHBondContact O-N 3.36Å; A282-W336 HydrophobicContact CB-CH2 4.19Å; A282-W336 HydrophobicContact CB-CZ3 4.02Å; A282-M339 HydrophobicContact CB-CB 4.41Å; A282-L340 HydrophobicContact CB-CD2 3.8Å; A282-L340 HydrophobicContact CB-CG 4.34Å; A282-P642 HydrophobicContact CB-CB 4.44Å
283E94.8Very high92.3Very high3 Ų324.5 Ų24.51%0.01414%0.138CC..Hα-helixtrans-59.4-51.1174.6-171166.2-172.200112.3N280 L281 I285 L286 T287 W417 P642 S643N280-E283 HydrophobicContact CB-CB 3.93Å; N280-E283 PolarHBondContact OD1-N 3.28Å; L281-E283 VanDerWaalsContact C-N 3.28Å; L281-E283 PolarHBondContact O-N 3.08Å; E283-I285 VanDerWaalsContact C-N 3.26Å; E283-I285 PolarHBondContact O-N 3.11Å; E283-L286 PolarHBondContact O-N 3.21Å; E283-T287 PolarHBondContact O-N 3.32Å; E283-T287 PolarHBondContact O-OG1 3.46Å; E283-W417 HydrophobicContact CG-CH2 4.07Å; E283-P642 HydrophobicContact CB-CB 4.08Å; E283-P642 HydrophobicContact CB-CG 3.96Å; E283-S643 WeakPolarHBondContact OE2-CB 3.41Å; E283-S643 PolarHBondContact OE2-N 3.24Å; E283-S643 PolarHBondContact OE2-OG 2.86Å
284K95Very high92Very high20 Ų2026.4 Ų26.49%0.08716%0.158CC..Hα-helixtrans-59.1-37.6176.1-72.8-177.5168.6-150.70112.4N280 L281 V288 T408 L414 D418N280-K284 PolarHBondContact O-N 3.14Å; L281-K284 PolarHBondContact O-N 2.91Å; K284-V288 WeakPolarHBondContact O-CG2 3.48Å; K284-V288 PolarHBondContact O-N 3.24Å; K284-T408 HydrophobicContact CB-CG2 4.07Å; K284-L414 HydrophobicContact CD-CD1 3.85Å; K284-L414 HydrophobicContact CG-CD1 4.34Å; K284-D418 IonicContact NZ-OD1 3.52Å
285I96.4Very high91.9Very high0 Ų028 Ų280%017%0.165CC..Hα-helixtrans-62.8-52.8175.4-71.3166.5000110.5L281 A282 E283 T287 V288 L289 V299 L324 M339 A404 T408L281-I285 HydrophobicContact CD1-CD1 4.19Å; L281-I285 HydrophobicContact CD1-CG1 4.32Å; L281-I285 HydrophobicContact CG-CD1 3.91Å; L281-I285 HydrophobicContact CG-CG1 4.49Å; L281-I285 WeakPolarHBondContact O-CG1 3.41Å; L281-I285 PolarHBondContact O-N 3.03Å; A282-I285 WeakPolarHBondContact O-CB 3.49Å; A282-I285 PolarHBondContact O-N 3.36Å; E283-I285 VanDerWaalsContact C-N 3.26Å; E283-I285 PolarHBondContact O-N 3.11Å; I285-T287 VanDerWaalsContact C-N 3.25Å; I285-T287 PolarHBondContact O-N 3.15Å; I285-V288 PolarHBondContact O-N 2.75Å; I285-L289 HydrophobicContact CG2-CD1 3.8Å; I285-L289 HydrophobicContact CG2-CG 4.31Å; I285-L289 WeakPolarHBondContact O-CB 3.4Å; I285-L289 WeakPolarHBondContact O-CG 3.28Å; I285-L289 PolarHBondContact O-N 2.9Å; I285-V299 HydrophobicContact CG2-CG2 4.06Å; I285-L324 HydrophobicContact CG2-CD1 3.97Å; I285-L324 HydrophobicContact CG2-CD2 3.94Å; I285-M339 HydrophobicContact CD1-CE 3.21Å; I285-A404 HydrophobicContact CD1-CB 4.37Å; I285-A404 HydrophobicContact CG2-CB 4.14Å; I285-T408 WeakPolarHBondContact CA-OG1 3.38Å; I285-T408 HydrophobicContact CG1-CG2 4.09Å; I285-T408 WeakPolarHBondContact CG1-OG1 3.06Å
286L94.6Very high92Very high4 Ų430.2 Ų30.22%0.02118%0.178CC..Hα-helixtrans-61-35.3-178.6-68.9165.7000111.6A282 E283 V299 L324 P642 L668 R670A282-L286 WeakPolarHBondContact O-CB 3.49Å; A282-L286 VanDerWaalsContact O-CG 3.24Å; A282-L286 WeakPolarHBondContact O-CG 3.42Å; A282-L286 PolarHBondContact O-N 3.36Å; E283-L286 PolarHBondContact O-N 3.21Å; L286-V299 HydrophobicContact CD2-CG1 4.09Å; L286-L324 HydrophobicContact CD2-CD1 3.67Å; L286-L324 HydrophobicContact CG-CD1 4.25Å; L286-P642 HydrophobicContact CD1-CG 3.84Å; L286-L668 HydrophobicContact CD1-CD2 3.51Å; L286-L668 HydrophobicContact CD1-CG 3.97Å; L286-R670 HydrophobicContact CB-CG 3.85Å; L286-R670 WeakPolarHBondContact O-CD 3.27Å; L286-R670 WeakPolarHBondContact O-CG 3.4Å
287T91.1Very high92Very high43 Ų4329.9 Ų29.926%0.26418%0.177SC..Hα-helixtrans-71.8-41.6179.4-54.90000113.6E283 I285 W417 P671E283-T287 PolarHBondContact O-N 3.32Å; E283-T287 PolarHBondContact O-OG1 3.46Å; I285-T287 VanDerWaalsContact C-N 3.25Å; I285-T287 PolarHBondContact O-N 3.15Å; T287-W417 HydrophobicContact CG2-CE3 3.78Å; T287-W417 HydrophobicContact CG2-CZ3 3.64Å; T287-W417 VanDerWaalsContact OG1-CZ3 3.28Å; T287-W417 WeakPolarHBondContact OG1-CZ3 3.33Å; T287-P671 WeakPolarHBondContact OG1-CD 3.42Å
288V91.8Very high92.5Very high9 Ų926.5 Ų26.56%0.05516%0.161CC..Hα-helixtrans-97.9-22.1-169.4-51.80000114.4K284 I285 T408 H411 N413K284-V288 WeakPolarHBondContact O-CG2 3.48Å; K284-V288 PolarHBondContact O-N 3.24Å; I285-V288 PolarHBondContact O-N 2.75Å; V288-T408 HydrophobicContact CG2-CG2 3.68Å; V288-H411 HydrophobicContact CB-CB 4.21Å; V288-H411 HydrophobicContact CG2-CB 3.9Å; V288-N413 HydrophobicContact CG1-CB 4.41Å
289L94.2Very high93.1Very high13 Ų1326.3 Ų26.37%0.06816%0.16CC..SBendtrans-87.6146.5175.7-57.4-170.3000110.1I285 V299 A404 Q407I285-L289 HydrophobicContact CG2-CD1 3.8Å; I285-L289 HydrophobicContact CG2-CG 4.31Å; I285-L289 WeakPolarHBondContact O-CB 3.4Å; I285-L289 WeakPolarHBondContact O-CG 3.28Å; I285-L289 PolarHBondContact O-N 2.9Å; L289-V299 HydrophobicContact CB-CB 3.9Å; L289-V299 HydrophobicContact CB-CG1 4.27Å; L289-V299 HydrophobicContact CB-CG2 4.05Å; L289-V299 HydrophobicContact CD1-CG2 4.19Å; L289-A404 HydrophobicContact CD1-CB 4.05Å; L289-Q407 HydrophobicContact CD2-CB 3.87Å
290D91.9Very high93.4Very high95 Ų9525 Ų2551%0.50815%0.151SC..PPolyproline II helixtrans-64.7149.2179.8-63-40.3000111.6V299 Q300D290-V299 CarbonylContact O-C 3.59Å; D290-V299 WeakPolarHBondContact O-CA 3.24Å; D290-V299 WeakPolarHBondContact O-CB 3.48Å; D290-Q300 HydrophobicContact CB-CG 3.65Å; D290-Q300 WeakPolarHBondContact O-CG 3.42Å; D290-Q300 PolarHBondContact O-N 2.94Å; D290-Q300 PolarHBondContact OD2-NE2 3.18Å
291P92.4Very high93.5Very high62 Ų6225 Ų2540%0.40315%0.151SC..BIsolated β-bridgetrans-56143.3172.9-47.8000112
292L93.4Very high93.3Very high17 Ų1726.3 Ų26.39%0.08916%0.158CC..PPolyproline II helixtrans-68.7130.5167.9-17669000108G294 H295 D298 Q300 P321 C323L292-G294 PolarHBondContact O-N 3.45Å; L292-H295 HydrophobicContact CB-CB 4.09Å; L292-H295 WeakPolarHBondContact O-CB 3.49Å; L292-H295 PolarHBondContact O-N 3.03Å; L292-D298 HydrophobicContact CB-CB 4.25Å; L292-D298 HydrophobicContact CD2-CB 4.22Å; L292-D298 PolarHBondContact N-O 3.27Å; L292-Q300 HydrophobicContact CD1-CB 4.27Å; L292-P321 HydrophobicContact CD1-CB 4.13Å; L292-P321 HydrophobicContact CD1-CG 3.72Å; L292-C323 HydrophobicContact CD2-CB 4.04Å
293P89.6Confident93.2Very high93 Ų9327.6 Ų27.660%0.60417%0.165SC*.THydrogen-bonded Turntrans-53.4134-177.9-29.136.5000112.6H295P293-H295 PolarHBondContact O-N 3.1Å; P293-H295 PolarHBondContact O-ND1 3.02Å
294G89.1Confident92.9Very high39 Ų3929.1 Ų29.140%0.40217%0.173SC..THydrogen-bonded Turntrans74.45.1-177.100000115.3L292L292-G294 PolarHBondContact O-N 3.45Å
295H92.4Very high92.7Very high33 Ų3330.2 Ų30.215%0.15318%0.178CC..  trans-120.4148.9-179.4-6266.6000111.5E35 H38 L292 P293 D298E35-H295 HydrophobicContact CG-CB 4.47Å; H38-H295 AromaticContact CD2-CD2 3.63Å; H38-H295 AromaticContact CD2-NE2 3.5Å; H38-H295 AromaticContact CG-NE2 3.47Å; L292-H295 HydrophobicContact CB-CB 4.09Å; L292-H295 WeakPolarHBondContact O-CB 3.49Å; L292-H295 PolarHBondContact O-N 3.03Å; P293-H295 PolarHBondContact O-N 3.1Å; P293-H295 PolarHBondContact O-ND1 3.02Å; H295-D298 HydrophobicContact CB-CB 4.33Å
296V91.4Very high92.4Very high47 Ų4731.1 Ų31.129%0.28518%0.183SC..SBendtrans-111.8-12.5177.1-53.50000113E35 A166 R667E35-V296 VanDerWaalsContact CD-N 3.34Å; E35-V296 PolarHBondContact OE1-N 3.36Å; E35-V296 WeakPolarHBondContact OE2-CG2 3.43Å; E35-V296 PolarHBondContact OE2-N 2.76Å; E35-V296 VanDerWaalsContact OE2-N 3.16Å; A166-V296 HydrophobicContact CB-CB 4.35Å; A166-V296 HydrophobicContact CB-CG2 3.49Å; A166-V296 VanDerWaalsContact CB-CG2 3.49Å; V296-R667 PolarHBondContact O-NH2 3.23Å
297T91.6Very high92.1Very high2 Ų233.3 Ų33.31%0.01220%0.196CC..SBendtrans-117.6-5.8-174.6-59.70000113.3E35 W39 V155 V161 L668E35-T297 VanDerWaalsContact OE1-CB 3.27Å; E35-T297 WeakPolarHBondContact OE1-CB 3.38Å; E35-T297 PolarHBondContact OE1-N 3Å; W39-T297 HydrophobicContact CZ2-CG2 4.12Å; V155-T297 HydrophobicContact CG2-CG2 4.12Å; V161-T297 HydrophobicContact CG2-CG2 4.41Å; T297-L668 HydrophobicContact CG2-CB 3.65Å; T297-L668 HydrophobicContact CG2-CD2 4.39Å
298D94.6Very high91.7Very high1 Ų136.3 Ų36.31%0.00522%0.219CC..  trans-126.5162.4-179.9-151.6-13000112H38 W39 L292 H295 C323 L324 A325H38-D298 IonicContact CD2-OD2 2.62Å; H38-D298 IonicContact CE1-OD2 3.85Å; H38-D298 IonicContact NE2-OD2 3.18Å; H38-D298 PolarHBondContact NE2-OD2 3.47Å; W39-D298 HydrophobicContact CZ2-CB 3.91Å; L292-D298 HydrophobicContact CB-CB 4.25Å; L292-D298 HydrophobicContact CD2-CB 4.22Å; L292-D298 PolarHBondContact N-O 3.27Å; H295-D298 HydrophobicContact CB-CB 4.33Å; D298-C323 WeakPolarHBondContact OD2-CB 3.15Å; D298-L324 WeakPolarHBondContact OD1-CB 3.47Å; D298-L324 VanDerWaalsContact OD1-CG 3.32Å; D298-L324 WeakPolarHBondContact OD1-CG 3.47Å; D298-L324 PolarHBondContact OD1-N 3.22Å; D298-L324 PolarHBondContact OD2-N 2.71Å; D298-A325 PolarHBondContact OD2-N 3.23Å
299V95.5Very high91.3Very high1 Ų140.1 Ų40.11%0.00624%0.242CC..BIsolated β-bridgetrans-124.5151.9-178.1-67.40000111.4I285 L286 L289 D290 L324I285-V299 HydrophobicContact CG2-CG2 4.06Å; L286-V299 HydrophobicContact CD2-CG1 4.09Å; L289-V299 HydrophobicContact CB-CB 3.9Å; L289-V299 HydrophobicContact CB-CG1 4.27Å; L289-V299 HydrophobicContact CB-CG2 4.05Å; L289-V299 HydrophobicContact CD1-CG2 4.19Å; D290-V299 CarbonylContact O-C 3.59Å; D290-V299 WeakPolarHBondContact O-CA 3.24Å; D290-V299 WeakPolarHBondContact O-CB 3.48Å; V299-L324 HydrophobicContact CG2-CD1 3.54Å; V299-L324 HydrophobicContact CG2-CD2 4.16Å; V299-L324 HydrophobicContact CG2-CG 3.66Å
300Q95.4Very high90.6Very high42 Ų4247.3 Ų47.320%0.19628%0.276CS..PPolyproline II helixtrans-75.9128.1173.354.6169.6-0.100111D290 L292 P321D290-Q300 HydrophobicContact CB-CG 3.65Å; D290-Q300 WeakPolarHBondContact O-CG 3.42Å; D290-Q300 PolarHBondContact O-N 2.94Å; D290-Q300 PolarHBondContact OD2-NE2 3.18Å; L292-Q300 HydrophobicContact CD1-CB 4.27Å; Q300-P321 HydrophobicContact CB-CB 3.57Å; Q300-P321 HydrophobicContact CB-CG 4.32Å
301V95.8Very high90.1Very high0 Ų050 Ų500%028%0.278CS..BIsolated β-bridgetrans-102.2120.5172.3-178.20000108.6M303 G322 L324 L403 A404V301-M303 HydrophobicContact CB-SD 4.48Å; V301-M303 HydrophobicContact CG1-SD 4.09Å; V301-M303 PolarHBondContact O-N 3.5Å; V301-G322 PolarHBondContact N-O 3.03Å; V301-G322 PolarHBondContact O-N 2.9Å; V301-L324 HydrophobicContact CG2-CD2 4.27Å; V301-L403 HydrophobicContact CG1-CB 3.67Å; V301-A404 HydrophobicContact CG1-CB 4.22Å; V301-A404 HydrophobicContact CG2-CB 3.76Å
302D92.9Very high89.3Confident28 Ų2850.2 Ų50.215%0.1528%0.279CS..PPolyproline II helixtrans-68.8117175.8-178.810.9000111.3L304 R311 Q407D302-L304 VanDerWaalsContact C-N 3.33Å; D302-L304 VanDerWaalsContact OD1-CB 3.23Å; D302-L304 WeakPolarHBondContact OD1-CB 3.46Å; D302-L304 PolarHBondContact OD1-N 3.33Å; D302-R311 IonicContact OD2-CZ 2.76Å; D302-R311 IonicContact OD2-NE 3.65Å; D302-R311 IonicContact OD2-NH2 2.77Å; D302-R311 PolarHBondContact OD2-NH2 3.46Å; D302-Q407 VanDerWaalsContact N-NE2 3.13Å; D302-Q407 PolarHBondContact O-NE2 3.16Å
303M92.5Very high88.5Confident28 Ų2854.7 Ų54.714%0.13831%0.309CS..  trans-88.42.2-177.5-59.7-56.9-79.900113.5V301 E305 L306 G322 Q400 L403V301-M303 HydrophobicContact CB-SD 4.48Å; V301-M303 HydrophobicContact CG1-SD 4.09Å; V301-M303 PolarHBondContact O-N 3.5Å; M303-E305 PolarHBondContact O-N 3.41Å; M303-L306 HydrophobicContact CE-CD1 3.63Å; M303-L306 WeakPolarHBondContact O-CB 3.49Å; M303-L306 PolarHBondContact O-N 2.67Å; M303-G322 VanDerWaalsContact CG-N 3.33Å; M303-Q400 HydrophobicContact CE-CG 3.39Å; M303-Q400 HydrophobicContact SD-CG 3.7Å; M303-L403 HydrophobicContact CE-CD1 4.26Å; M303-L403 HydrophobicContact SD-CD1 3.78Å
304L89.7Confident87.6Confident35 Ų3559 Ų5918%0.18332%0.321CS..G310 helixtrans-48.8-41.4-173.1-177.570.8000113.9D302 L306 T307 V309 R311D302-L304 VanDerWaalsContact C-N 3.33Å; D302-L304 VanDerWaalsContact OD1-CB 3.23Å; D302-L304 WeakPolarHBondContact OD1-CB 3.46Å; D302-L304 PolarHBondContact OD1-N 3.33Å; L304-L306 PolarHBondContact O-N 3.22Å; L304-L306 VanDerWaalsContact O-N 3.07Å; L304-T307 PolarHBondContact O-N 3.34Å; L304-T307 PolarHBondContact O-OG1 3.43Å; L304-V309 HydrophobicContact CD1-CB 3.92Å; L304-V309 HydrophobicContact CD1-CG1 4.11Å; L304-V309 WeakPolarHBondContact CD1-O 3.42Å; L304-R311 HydrophobicContact CD2-CG 3.6Å
305E90.5Very high86.6Confident43 Ų4359.6 Ų59.620%0.20132%0.319CS..G310 helixtrans-61.6-18.1-178-64.4-75.6-134.700113.4M303 K383 L403 R410M303-E305 PolarHBondContact O-N 3.41Å; E305-K383 WeakPolarHBondContact OE1-CE 3.3Å; E305-K383 IonicContact OE1-NZ 2.77Å; E305-K383 PolarHBondContact OE1-NZ 2.88Å; E305-K383 WeakPolarHBondContact OE2-CE 3.36Å; E305-K383 IonicContact OE2-NZ 3.91Å; E305-K383 PolarHBondContact OE2-NZ 3.46Å; E305-L403 HydrophobicContact CB-CD2 3.82Å; E305-L403 HydrophobicContact CG-CD2 4.08Å; E305-R410 IonicContact OE1-NH1 2.68Å
306L90.9Very high85.4Confident18 Ų1864.5 Ų64.59%0.09434%0.342CS..G310 helixtrans-98.4-4176.1-69.4174.9000114.1M303 L304 V382 F385 R386 L392 L399 L403M303-L306 HydrophobicContact CE-CD1 3.63Å; M303-L306 WeakPolarHBondContact O-CB 3.49Å; M303-L306 PolarHBondContact O-N 2.67Å; L304-L306 PolarHBondContact O-N 3.22Å; L304-L306 VanDerWaalsContact O-N 3.07Å; L306-V382 HydrophobicContact CD1-CG1 4.09Å; L306-V382 HydrophobicContact CD2-CG1 3.32Å; L306-V382 WeakPolarHBondContact CD2-O 3.42Å; L306-V382 HydrophobicContact CG-CG1 3.66Å; L306-F385 HydrophobicContact CD2-CB 4.34Å; L306-R386 WeakPolarHBondContact O-CG 3.16Å; L306-L392 HydrophobicContact CB-CD2 4.43Å; L306-L392 HydrophobicContact CD1-CD2 4.21Å; L306-L392 HydrophobicContact CD2-CD2 3.68Å; L306-L392 HydrophobicContact CG-CD2 4.33Å; L306-L399 HydrophobicContact CD1-CB 4.09Å; L306-L399 HydrophobicContact CD1-CD1 4.34Å; L306-L399 HydrophobicContact CD2-CD1 4.45Å; L306-L403 HydrophobicContact CD1-CD1 3.73Å; L306-L403 HydrophobicContact CG-CD1 4.03Å
307T86.6Confident84.5Confident50 Ų5069.2 Ų69.231%0.30737%0.365SS..SBendtrans-111.4158.4-177.374.20000110.4L304 V309 R386L304-T307 PolarHBondContact O-N 3.34Å; L304-T307 PolarHBondContact O-OG1 3.43Å; T307-V309 PolarHBondContact O-N 3.39Å; T307-V309 WeakPolarHBondContact OG1-CB 3.3Å; T307-V309 PolarHBondContact OG1-N 2.85Å; T307-R386 PolarHBondContact O-NE 3.37Å; T307-R386 PolarHBondContact O-NH2 3.3Å
308S83.8Confident83.8Confident106 Ų10671.1 Ų71.174%0.74138%0.377SS*.SBendtrans-78.93.9171-61.10000113.9
309V82.6Confident82.7Confident90 Ų9078 Ų7855%0.54542%0.418SS..  trans-69.7142.7-176.9-179.40000109.9L304 T307L304-V309 HydrophobicContact CD1-CB 3.92Å; L304-V309 HydrophobicContact CD1-CG1 4.11Å; L304-V309 WeakPolarHBondContact CD1-O 3.42Å; T307-V309 PolarHBondContact O-N 3.39Å; T307-V309 WeakPolarHBondContact OG1-CB 3.3Å; T307-V309 PolarHBondContact OG1-N 2.85Å
310Q78.8Confident82.2Confident164 Ų16481.3 Ų81.377%0.76645%0.446SS*.  trans-110.9134.8173.8-63.8-174.40.800109.3T312Q310-T312 PolarHBondContact O-N 3.25Å
311R81.4Confident82Confident150 Ų15081.6 Ų81.657%0.56645%0.452SS*.  trans-68132.4171.1-78.5177.4-177.4-170.52.4109.4D302 L304D302-R311 IonicContact OD2-CZ 2.76Å; D302-R311 IonicContact OD2-NE 3.65Å; D302-R311 IonicContact OD2-NH2 2.77Å; D302-R311 PolarHBondContact OD2-NH2 3.46Å; L304-R311 HydrophobicContact CD2-CG 3.6Å
312T76.9Confident81.9Confident67 Ų6781.8 Ų81.841%0.41145%0.454SS..  trans-108162.1165.772.70000108.7Q310 H314 S315Q310-T312 PolarHBondContact O-N 3.25Å; T312-H314 PolarHBondContact O-N 2.9Å; T312-H314 PolarHBondContact OG1-N 3.42Å; T312-S315 PolarHBondContact N-OG 2.81Å; T312-S315 PolarHBondContact O-N 3.16Å; T312-S315 WeakPolarHBondContact OG1-CB 3.13Å; T312-S315 PolarHBondContact OG1-N 2.84Å; T312-S315 PolarHBondContact OG1-OG 3.03Å
313P75.5Confident82Confident111 Ų11181.4 Ų81.472%0.72145%0.453SS*.THydrogen-bonded Turntrans-53.8-25.8174.8-27.235.5000113.9
314H70.6Confident82.2Confident184 Ų18480.1 Ų80.185%0.85245%0.447SS*.THydrogen-bonded Turntrans-98-1.8-178.1-5295000113.7T312T312-H314 PolarHBondContact O-N 2.9Å; T312-H314 PolarHBondContact OG1-N 3.42Å
315S68Low82.3Confident51 Ų5178.8 Ų78.836%0.35744%0.441SS..  trans-130.364.5-174.771.60000110.5T312T312-S315 PolarHBondContact N-OG 2.81Å; T312-S315 PolarHBondContact O-N 3.16Å; T312-S315 WeakPolarHBondContact OG1-CB 3.13Å; T312-S315 PolarHBondContact OG1-N 2.84Å; T312-S315 PolarHBondContact OG1-OG 3.03Å
316Q68.6Low82.3Confident137 Ų13777.8 Ų77.864%0.6444%0.436SS*.  trans-89.5-16.8178.3-59.1-154.915.300113.2
317N71.3Confident81.7Confident146 Ų14679.5 Ų79.578%0.78145%0.445SS*.SBendtrans-74.2137.5-176-62.7-3000111.7V319N317-V319 PolarHBondContact O-N 3.26Å
318T76.9Confident81.1Confident41 Ų4184 Ų8425%0.25246%0.463SS..  trans-68.8119.2170.6-51.90000109.2P321T318-P321 HydrophobicContact CG2-CB 3.8Å
319V73Confident81.2Confident145 Ų14580.3 Ų80.388%0.87944%0.437SS*.SBendtrans-76.5-41.9-177.3179.90000111.7N317N317-V319 PolarHBondContact O-N 3.26Å
320A83.8Confident81.5Confident72 Ų7280.2 Ų80.260%0.59544%0.44SS*.SBendtrans-141.595.3177.700000108.3
321P91.6Very high82.2Confident48 Ų4874.2 Ų74.231%0.31242%0.417SS..  trans-70.5147.9-17829.4-34.5000111.1L292 Q300 T318L292-P321 HydrophobicContact CD1-CB 4.13Å; L292-P321 HydrophobicContact CD1-CG 3.72Å; Q300-P321 HydrophobicContact CB-CB 3.57Å; Q300-P321 HydrophobicContact CB-CG 4.32Å; T318-P321 HydrophobicContact CG2-CB 3.8Å
322G94Very high82.8Confident4 Ų467.1 Ų67.14%0.04139%0.39CS..BIsolated β-bridgetrans-78.2-177.3158.400000111V301 M303V301-G322 PolarHBondContact N-O 3.03Å; V301-G322 PolarHBondContact O-N 2.9Å; M303-G322 VanDerWaalsContact CG-N 3.33Å
323C95.4Very high83.6Confident20 Ų2069.7 Ų69.714%0.13539%0.392CS..  trans-151.1167.3-171.564.20000111.3H38 L292 D298 Q326 Q400H38-C323 VanDerWaalsContact CE1-SG 3.57Å; L292-C323 HydrophobicContact CD2-CB 4.04Å; D298-C323 WeakPolarHBondContact OD2-CB 3.15Å; C323-Q326 PolarHBondContact O-NE2 3.46Å; C323-Q400 PolarHBondContact O-OE1 2.85Å
324L95.4Very high84.5Confident0 Ų068.9 Ų68.90%038%0.381CS..SBendtrans-85.6-25.2175.6-55.9-179.2000112.6W39 I285 L286 D298 V299 V301 Q326 W336 L401 A404W39-L324 HydrophobicContact CH2-CB 4.35Å; I285-L324 HydrophobicContact CG2-CD1 3.97Å; I285-L324 HydrophobicContact CG2-CD2 3.94Å; L286-L324 HydrophobicContact CD2-CD1 3.67Å; L286-L324 HydrophobicContact CG-CD1 4.25Å; D298-L324 WeakPolarHBondContact OD1-CB 3.47Å; D298-L324 VanDerWaalsContact OD1-CG 3.32Å; D298-L324 WeakPolarHBondContact OD1-CG 3.47Å; D298-L324 PolarHBondContact OD1-N 3.22Å; D298-L324 PolarHBondContact OD2-N 2.71Å; V299-L324 HydrophobicContact CG2-CD1 3.54Å; V299-L324 HydrophobicContact CG2-CD2 4.16Å; V299-L324 HydrophobicContact CG2-CG 3.66Å; V301-L324 HydrophobicContact CG2-CD2 4.27Å; L324-Q326 VanDerWaalsContact C-NE2 3.33Å; L324-Q326 VanDerWaalsContact O-CG 3.27Å; L324-Q326 WeakPolarHBondContact O-CG 3.43Å; L324-Q326 PolarHBondContact O-N 2.97Å; L324-Q326 PolarHBondContact O-NE2 3.48Å; L324-W336 HydrophobicContact CB-CE3 4.47Å; L324-W336 HydrophobicContact CB-CH2 4.11Å; L324-W336 HydrophobicContact CB-CZ3 4.03Å; L324-W336 HydrophobicContact CD1-CH2 3.76Å; L324-W336 HydrophobicContact CD1-CZ3 3.85Å; L324-W336 HydrophobicContact CG-CZ3 4.37Å; L324-L401 HydrophobicContact CB-CD2 4.49Å; L324-L401 HydrophobicContact CD2-CD2 3.98Å; L324-A404 HydrophobicContact CD2-CB 3.82Å
325A93.4Very high85.8Confident7 Ų760.1 Ų60.16%0.05834%0.341CS..  trans-59.6119.8-179.400000112.7H38 W39 D298H38-A325 WeakPolarHBondContact NE2-CB 3.39Å; W39-A325 HydrophobicContact CD2-CB 3.8Å; W39-A325 HydrophobicContact CE3-CB 3.62Å; W39-A325 HydrophobicContact CH2-CB 3.99Å; W39-A325 HydrophobicContact CZ2-CB 4.16Å; W39-A325 VanDerWaalsContact CZ3-CA 3.45Å; W39-A325 HydrophobicContact CZ3-CB 3.74Å; D298-A325 PolarHBondContact OD2-N 3.23Å
326Q89.4Confident87.1Confident23 Ų2358 Ų5811%0.10733%0.325CS..  trans-118.3100.5179.5-54.6-46.1-44.300110.4C323 L324 A332 R333 W336 L401C323-Q326 PolarHBondContact O-NE2 3.46Å; L324-Q326 VanDerWaalsContact C-NE2 3.33Å; L324-Q326 VanDerWaalsContact O-CG 3.27Å; L324-Q326 WeakPolarHBondContact O-CG 3.43Å; L324-Q326 PolarHBondContact O-N 2.97Å; L324-Q326 PolarHBondContact O-NE2 3.48Å; Q326-A332 HydrophobicContact CB-CB 3.89Å; Q326-A332 HydrophobicContact CG-CB 3.79Å; Q326-R333 HydrophobicContact CB-CG 4.24Å; Q326-R333 WeakPolarHBondContact O-CD 3.36Å; Q326-R333 WeakPolarHBondContact O-CG 3.25Å; Q326-W336 HydrophobicContact CG-CB 4.45Å; Q326-L401 HydrophobicContact CG-CD1 3.86Å; Q326-L401 HydrophobicContact CG-CD2 4.41Å; Q326-L401 HydrophobicContact CG-CG 4.18Å
327N77.6Confident88.4Confident53 Ų5352.6 Ų52.628%0.28330%0.299SS..  trans-109.9-23.6-177.252.824.6000113.6H38 G41H38-N327 PolarHBondContact O-ND2 3.11Å; H38-N327 VanDerWaalsContact O-ND2 3.12Å; G41-N327 VanDerWaalsContact CA-ND2 3.27Å; G41-N327 WeakPolarHBondContact CA-ND2 3.26Å; G41-N327 PolarHBondContact N-ND2 3.49Å
328Q74.9Confident89.5Confident144 Ų14447 Ų4767%0.67327%0.271SS*.SBendtrans-94.7-43.2-173.7-72.2170.117.500114.3
329S85.2Confident90.5Very high29 Ų2945 Ų4520%0.20326%0.259CS..  trans-93.6125.2-174.41730000111.8S331 A332 R333S329-S331 VanDerWaalsContact C-N 3.27Å; S329-S331 PolarHBondContact O-N 2.81Å; S329-S331 PolarHBondContact OG-N 3.24Å; S329-A332 PolarHBondContact O-N 3.12Å; S329-A332 PolarHBondContact OG-N 2.87Å; S329-R333 WeakPolarHBondContact O-CB 3.44Å; S329-R333 WeakPolarHBondContact O-CG 3.45Å; S329-R333 PolarHBondContact O-N 3.02Å
330S89.6Confident91.5Very high88 Ų8838.1 Ų38.162%0.61522%0.217SC*.Hα-helixtrans-61.6-36.9173.654.90000112.3L334S330-L334 WeakPolarHBondContact O-CB 3.41Å; S330-L334 PolarHBondContact O-N 2.84Å
331S93.5Very high91.9Very high39 Ų3935.4 Ų35.427%0.27319%0.193SC..Hα-helixtrans-68.4-43.3177.51780000111.9S329 L334 L335 H354S329-S331 VanDerWaalsContact C-N 3.27Å; S329-S331 PolarHBondContact O-N 2.81Å; S329-S331 PolarHBondContact OG-N 3.24Å; S331-L334 PolarHBondContact O-N 3.24Å; S331-L335 WeakPolarHBondContact O-CB 3.44Å; S331-L335 PolarHBondContact O-N 3.38Å; S331-H354 PolarHBondContact OG-CD2 2.91Å
332A94.6Very high92.1Very high0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-66.8-38.7177.100000111.7Q326 S329 L335 W336 V398 L401Q326-A332 HydrophobicContact CB-CB 3.89Å; Q326-A332 HydrophobicContact CG-CB 3.79Å; S329-A332 PolarHBondContact O-N 3.12Å; S329-A332 PolarHBondContact OG-N 2.87Å; A332-L335 PolarHBondContact O-N 3.49Å; A332-W336 WeakPolarHBondContact O-CB 3.32Å; A332-W336 PolarHBondContact O-N 3.32Å; A332-V398 HydrophobicContact CB-CG2 4.02Å; A332-L401 WeakPolarHBondContact O-CD1 3.45Å
333R93.1Very high92.2Very high122 Ų12238.8 Ų38.846%0.4620%0.204SC..Hα-helixtrans-57.7-52.4171.5-80.2-171.3-68.1149.6-5.3111.8Q326 S329 L335 W336 E337Q326-R333 HydrophobicContact CB-CG 4.24Å; Q326-R333 WeakPolarHBondContact O-CD 3.36Å; Q326-R333 WeakPolarHBondContact O-CG 3.25Å; S329-R333 WeakPolarHBondContact O-CB 3.44Å; S329-R333 WeakPolarHBondContact O-CG 3.45Å; S329-R333 PolarHBondContact O-N 3.02Å; R333-L335 VanDerWaalsContact C-N 3.28Å; R333-L335 PolarHBondContact O-N 3.46Å; R333-W336 WeakPolarHBondContact O-CB 3.28Å; R333-W336 PolarHBondContact O-N 3.27Å; R333-W336 VanDerWaalsContact O-N 3.14Å; R333-E337 VanDerWaalsContact O-CG 3.32Å; R333-E337 WeakPolarHBondContact O-CG 3.46Å; R333-E337 PolarHBondContact O-N 2.82Å
334L94.8Very high92.2Very high94 Ų9439.2 Ų39.249%0.49220%0.204SC..Hα-helixtrans-58.9-40.5178.6-179.364.6000112.4S330 S331 E337 T338S330-L334 WeakPolarHBondContact O-CB 3.41Å; S330-L334 PolarHBondContact O-N 2.84Å; S331-L334 PolarHBondContact O-N 3.24Å; L334-E337 PolarHBondContact O-N 2.86Å; L334-T338 PolarHBondContact O-N 3.08Å; L334-T338 PolarHBondContact O-OG1 3.38Å
335L97.3Very high92.1Very high0 Ų047.1 Ų47.10%024%0.238CC..Hα-helixtrans-62.5-47175.5177.557.8000111.2S331 A332 R333 E337 T338 M339 E350 V351 H354 V398 L401S331-L335 WeakPolarHBondContact O-CB 3.44Å; S331-L335 PolarHBondContact O-N 3.38Å; A332-L335 PolarHBondContact O-N 3.49Å; R333-L335 VanDerWaalsContact C-N 3.28Å; R333-L335 PolarHBondContact O-N 3.46Å; L335-E337 PolarHBondContact O-N 2.77Å; L335-T338 WeakPolarHBondContact O-CB 3.26Å; L335-T338 PolarHBondContact O-N 2.8Å; L335-T338 VanDerWaalsContact O-N 3.15Å; L335-M339 HydrophobicContact CD1-CG 4.22Å; L335-M339 HydrophobicContact CD1-SD 4.23Å; L335-M339 HydrophobicContact CG-CG 4.48Å; L335-M339 HydrophobicContact CG-SD 3.99Å; L335-M339 VanDerWaalsContact O-CG 3.29Å; L335-M339 WeakPolarHBondContact O-CG 3.28Å; L335-M339 PolarHBondContact O-N 2.94Å; L335-E350 HydrophobicContact CD1-CB 4.25Å; L335-E350 HydrophobicContact CD1-CG 3.85Å; L335-V351 HydrophobicContact CD1-CB 4.41Å; L335-V351 HydrophobicContact CD1-CG2 3.84Å; L335-V351 HydrophobicContact CD2-CG2 4.43Å; L335-H354 HydrophobicContact CD2-CB 4.1Å; L335-V398 HydrophobicContact CD2-CG1 4.25Å; L335-L401 HydrophobicContact CB-CD1 4.08Å; L335-L401 HydrophobicContact CD2-CB 3.97Å; L335-L401 HydrophobicContact CD2-CD1 3.87Å; L335-L401 HydrophobicContact CG-CD1 3.84Å
336W96.2Very high92.3Very high6 Ų652 Ų522%0.02326%0.26CS..Hα-helixtrans-58.7-46.3176.5176.5-118.9000112.6W39 V155 A282 L324 Q326 A332 R333 T338 M339 L340 L401W39-W336 HydrophobicContact CH2-CZ2 4.01Å; W39-W336 HydrophobicContact CZ3-CZ2 4.34Å; W39-W336 AromaticContact CZ3-NE1 3.91Å; V155-W336 HydrophobicContact CG1-CZ2 4.19Å; V155-W336 PolarHBondContact O-NE1 2.72Å; A282-W336 HydrophobicContact CB-CH2 4.19Å; A282-W336 HydrophobicContact CB-CZ3 4.02Å; L324-W336 HydrophobicContact CB-CE3 4.47Å; L324-W336 HydrophobicContact CB-CH2 4.11Å; L324-W336 HydrophobicContact CB-CZ3 4.03Å; L324-W336 HydrophobicContact CD1-CH2 3.76Å; L324-W336 HydrophobicContact CD1-CZ3 3.85Å; L324-W336 HydrophobicContact CG-CZ3 4.37Å; Q326-W336 HydrophobicContact CG-CB 4.45Å; A332-W336 WeakPolarHBondContact O-CB 3.32Å; A332-W336 PolarHBondContact O-N 3.32Å; R333-W336 WeakPolarHBondContact O-CB 3.28Å; R333-W336 PolarHBondContact O-N 3.27Å; R333-W336 VanDerWaalsContact O-N 3.14Å; W336-T338 VanDerWaalsContact C-N 3.25Å; W336-T338 PolarHBondContact O-N 3.45Å; W336-M339 HydrophobicContact CE3-CB 4.49Å; W336-M339 WeakPolarHBondContact O-CB 3.49Å; W336-M339 PolarHBondContact O-N 2.92Å; W336-M339 VanDerWaalsContact O-N 3.12Å; W336-L340 HydrophobicContact CD2-CD1 4.15Å; W336-L340 HydrophobicContact CD2-CG 4.2Å; W336-L340 VanDerWaalsContact CE2-CD1 3.45Å; W336-L340 HydrophobicContact CG-CD1 4.46Å; W336-L340 HydrophobicContact CH2-CD2 3.91Å; W336-L340 HydrophobicContact CH2-CG 4.13Å; W336-L340 HydrophobicContact CZ2-CD1 3.68Å; W336-L340 HydrophobicContact CZ2-CD2 3.75Å; W336-L340 HydrophobicContact CZ2-CG 3.77Å; W336-L340 HydrophobicContact CZ3-CG 4.49Å; W336-L340 PolarHBondContact O-N 2.7Å; W336-L401 HydrophobicContact CB-CD1 4.07Å; W336-L401 HydrophobicContact CE3-CD2 3.99Å
337E94.6Very high92.6Very high23 Ų2350.9 Ų50.911%0.10726%0.255CS..Hα-helixtrans-55.7-42.3174.1-67.8-60.615700112S156 Q157 R333 L334 L335 L340 T341S156-E337 WeakPolarHBondContact CA-OE1 3.45Å; S156-E337 WeakPolarHBondContact CB-OE1 3.35Å; S156-E337 WeakPolarHBondContact CB-OE2 3.28Å; Q157-E337 HydrophobicContact CG-CG 4.44Å; Q157-E337 PolarHBondContact N-OE1 3.08Å; Q157-E337 PolarHBondContact N-OE2 2.77Å; R333-E337 VanDerWaalsContact O-CG 3.32Å; R333-E337 WeakPolarHBondContact O-CG 3.46Å; R333-E337 PolarHBondContact O-N 2.82Å; L334-E337 PolarHBondContact O-N 2.86Å; L335-E337 PolarHBondContact O-N 2.77Å; E337-L340 PolarHBondContact O-N 3.34Å; E337-T341 PolarHBondContact O-N 3.5Å; E337-T341 VanDerWaalsContact O-N 3.1Å; E337-T341 PolarHBondContact O-OG1 3.24Å
338T95.9Very high93.6Very high29 Ų2949.2 Ų49.218%0.17825%0.246CC..Hα-helixtrans-68-40.9178.9-53.20000111L334 L335 W336 L340 T341 S342 E350L334-T338 PolarHBondContact O-N 3.08Å; L334-T338 PolarHBondContact O-OG1 3.38Å; L335-T338 WeakPolarHBondContact O-CB 3.26Å; L335-T338 PolarHBondContact O-N 2.8Å; L335-T338 VanDerWaalsContact O-N 3.15Å; W336-T338 VanDerWaalsContact C-N 3.25Å; W336-T338 PolarHBondContact O-N 3.45Å; T338-L340 VanDerWaalsContact C-N 3.35Å; T338-L340 PolarHBondContact O-N 2.9Å; T338-T341 PolarHBondContact O-N 3.45Å; T338-S342 VanDerWaalsContact CG2-OG 3.27Å; T338-S342 WeakPolarHBondContact CG2-OG 3.45Å; T338-S342 WeakPolarHBondContact O-CB 3.3Å; T338-S342 PolarHBondContact O-N 3.08Å; T338-S342 PolarHBondContact O-OG 3Å; T338-E350 HydrophobicContact CG2-CB 4.09Å; T338-E350 HydrophobicContact CG2-CG 3.85Å
339M96.8Very high94.6Very high0 Ų046.3 Ų46.30%023%0.233CC..Hα-helixtrans-63.4-38.8177.4-70173.562.300112.5N280 L281 A282 I285 L335 W336 A347 V351 L401N280-M339 PolarHBondContact ND2-O 3.38Å; N280-M339 PolarHBondContact OD1-O 2.89Å; L281-M339 HydrophobicContact CD2-CE 4Å; L281-M339 HydrophobicContact CD2-CG 4.28Å; L281-M339 HydrophobicContact CG-CE 4.2Å; A282-M339 HydrophobicContact CB-CB 4.41Å; I285-M339 HydrophobicContact CD1-CE 3.21Å; L335-M339 HydrophobicContact CD1-CG 4.22Å; L335-M339 HydrophobicContact CD1-SD 4.23Å; L335-M339 HydrophobicContact CG-CG 4.48Å; L335-M339 HydrophobicContact CG-SD 3.99Å; L335-M339 VanDerWaalsContact O-CG 3.29Å; L335-M339 WeakPolarHBondContact O-CG 3.28Å; L335-M339 PolarHBondContact O-N 2.94Å; W336-M339 HydrophobicContact CE3-CB 4.49Å; W336-M339 WeakPolarHBondContact O-CB 3.49Å; W336-M339 PolarHBondContact O-N 2.92Å; W336-M339 VanDerWaalsContact O-N 3.12Å; M339-A347 HydrophobicContact CG-CB 4.36Å; M339-V351 HydrophobicContact CG-CG2 4.29Å; M339-V351 HydrophobicContact SD-CG2 3.93Å; M339-L401 HydrophobicContact CE-CD2 4.49Å; M339-L401 HydrophobicContact SD-CB 4.12Å; M339-L401 HydrophobicContact SD-CD1 4.21Å; M339-L401 HydrophobicContact SD-CD2 4.28Å; M339-L401 HydrophobicContact SD-CG 4.44Å
340L94.3Very high95.2Very high0 Ų046.8 Ų46.80%023%0.232CC..Hα-helixtrans-70.9-35.2177.1-78.4173.8000113.1S156 N280 A282 W336 E337 T338 P642 L645 L668S156-L340 VanDerWaalsContact CB-CD1 3.49Å; N280-L340 PolarHBondContact ND2-O 3.06Å; A282-L340 HydrophobicContact CB-CD2 3.8Å; A282-L340 HydrophobicContact CB-CG 4.34Å; W336-L340 HydrophobicContact CD2-CD1 4.15Å; W336-L340 HydrophobicContact CD2-CG 4.2Å; W336-L340 VanDerWaalsContact CE2-CD1 3.45Å; W336-L340 HydrophobicContact CG-CD1 4.46Å; W336-L340 HydrophobicContact CH2-CD2 3.91Å; W336-L340 HydrophobicContact CH2-CG 4.13Å; W336-L340 HydrophobicContact CZ2-CD1 3.68Å; W336-L340 HydrophobicContact CZ2-CD2 3.75Å; W336-L340 HydrophobicContact CZ2-CG 3.77Å; W336-L340 HydrophobicContact CZ3-CG 4.49Å; W336-L340 PolarHBondContact O-N 2.7Å; E337-L340 PolarHBondContact O-N 3.34Å; T338-L340 VanDerWaalsContact C-N 3.35Å; T338-L340 PolarHBondContact O-N 2.9Å; L340-P642 HydrophobicContact CD2-CB 4.13Å; L340-P642 HydrophobicContact CD2-CG 4.34Å; L340-L645 HydrophobicContact CD2-CD1 4.41Å; L340-L668 HydrophobicContact CD2-CD2 4.45Å
341T93.3Very high95.6Very high14 Ų1442.6 Ų42.69%0.08620%0.203CC..Hα-helixtrans-115.86-165.966.10000115.6E337 T338 R646 K649E337-T341 PolarHBondContact O-N 3.5Å; E337-T341 VanDerWaalsContact O-N 3.1Å; E337-T341 PolarHBondContact O-OG1 3.24Å; T338-T341 PolarHBondContact O-N 3.45Å; T341-R646 WeakPolarHBondContact O-CG 3.24Å; T341-K649 HydrophobicContact CG2-CD 4.11Å; T341-K649 PolarHBondContact OG1-NZ 3.26Å
342S95.4Very high95.7Very high19 Ų1942.5 Ų42.513%0.13320%0.196CC..SBendtrans-114.6173.9-179.5-48.40000112.5N280 T338 R646N280-S342 PolarHBondContact ND2-O 3.34Å; T338-S342 VanDerWaalsContact CG2-OG 3.27Å; T338-S342 WeakPolarHBondContact CG2-OG 3.45Å; T338-S342 WeakPolarHBondContact O-CB 3.3Å; T338-S342 PolarHBondContact O-N 3.08Å; T338-S342 PolarHBondContact O-OG 3Å; S342-R646 PolarHBondContact O-NH1 2.86Å
343K95.9Very high95.8Very high104 Ų10446.7 Ų46.745%0.45221%0.212SC..  trans-71.1151.5169.6-68.9177.7179.9177.20111.3D279 K345 E346 A347 R646D279-K343 WeakPolarHBondContact O-CA 3.41Å; K343-K345 VanDerWaalsContact C-N 3.27Å; K343-K345 PolarHBondContact O-N 3.45Å; K343-E346 HydrophobicContact CB-CG 4.37Å; K343-E346 PolarHBondContact N-OE2 3.41Å; K343-E346 WeakPolarHBondContact O-CB 3.43Å; K343-E346 PolarHBondContact O-N 3.45Å; K343-A347 PolarHBondContact O-N 3.4Å; K343-R646 VanDerWaalsContact CA-NH1 3.34Å
344H94.6Very high96Very high30 Ų3041 Ų4114%0.13919%0.191CC..Hα-helixtrans-49.4-48-178.6177.182.3000112.4D279 E346 A347 L348D279-H344 PolarHBondContact O-N 3.2Å; D279-H344 WeakPolarHBondContact OD1-CB 3.09Å; H344-E346 PolarHBondContact O-N 3.27Å; H344-A347 PolarHBondContact O-N 3.02Å; H344-L348 VanDerWaalsContact NE2-CD1 3.28Å; H344-L348 WeakPolarHBondContact NE2-CD1 3.41Å; H344-L348 WeakPolarHBondContact O-CG 3.44Å; H344-L348 PolarHBondContact O-N 2.98Å
345K94.8Very high96.1Very high165 Ų16536.6 Ų36.672%0.71717%0.168SC*.Hα-helixtrans-63-40179.8-174.4-177.4177.5-174.90112.9K343 M349K343-K345 VanDerWaalsContact C-N 3.27Å; K343-K345 PolarHBondContact O-N 3.45Å; K345-M349 WeakPolarHBondContact O-CG 3.45Å; K345-M349 PolarHBondContact O-N 3.33Å
346E96.1Very high96.1Very high110 Ų11037.7 Ų37.751%0.51417%0.174SC..Hα-helixtrans-68.6-47.1179.6-67.7164.1-178.400110.2K343 H344 L348 M349 E350K343-E346 HydrophobicContact CB-CG 4.37Å; K343-E346 PolarHBondContact N-OE2 3.41Å; K343-E346 WeakPolarHBondContact O-CB 3.43Å; K343-E346 PolarHBondContact O-N 3.45Å; H344-E346 PolarHBondContact O-N 3.27Å; E346-L348 VanDerWaalsContact C-N 3.34Å; E346-L348 PolarHBondContact O-N 3.2Å; E346-M349 WeakPolarHBondContact O-CB 3.3Å; E346-M349 PolarHBondContact O-N 2.8Å; E346-M349 VanDerWaalsContact O-N 3.16Å; E346-E350 PolarHBondContact O-N 2.95Å
347A97.3Very high96.1Very high0 Ų041.7 Ų41.70%019%0.193CC..Hα-helixtrans-58.6-43.1175.600000112.1L281 M339 K343 H344 M349 E350 V351L281-A347 HydrophobicContact CB-CB 3.76Å; L281-A347 HydrophobicContact CD2-CB 3.84Å; L281-A347 HydrophobicContact CG-CB 4.47Å; M339-A347 HydrophobicContact CG-CB 4.36Å; K343-A347 PolarHBondContact O-N 3.4Å; H344-A347 PolarHBondContact O-N 3.02Å; A347-M349 VanDerWaalsContact C-N 3.33Å; A347-M349 PolarHBondContact O-N 2.86Å; A347-E350 WeakPolarHBondContact O-CB 3.41Å; A347-E350 PolarHBondContact O-N 3.43Å; A347-E350 VanDerWaalsContact O-N 3.14Å; A347-V351 WeakPolarHBondContact O-CG2 3.36Å; A347-V351 PolarHBondContact O-N 3.47Å
348L96.8Very high96.1Very high18 Ų1840.9 Ų40.99%0.09419%0.191CC..Hα-helixtrans-59.9-42175.3-78.8-177.4000113L281 H344 E346 E350 V351 R352 T405 L409L281-L348 HydrophobicContact CD1-CD2 3.94Å; L281-L348 HydrophobicContact CD1-CG 4.48Å; L281-L348 HydrophobicContact CD2-CD2 3.88Å; L281-L348 HydrophobicContact CD2-CG 4.3Å; H344-L348 VanDerWaalsContact NE2-CD1 3.28Å; H344-L348 WeakPolarHBondContact NE2-CD1 3.41Å; H344-L348 WeakPolarHBondContact O-CG 3.44Å; H344-L348 PolarHBondContact O-N 2.98Å; E346-L348 VanDerWaalsContact C-N 3.34Å; E346-L348 PolarHBondContact O-N 3.2Å; L348-E350 VanDerWaalsContact C-N 3.25Å; L348-E350 PolarHBondContact O-N 2.77Å; L348-V351 PolarHBondContact O-N 3.47Å; L348-R352 PolarHBondContact O-N 3.29Å; L348-R352 VanDerWaalsContact O-N 3.15Å; L348-T405 HydrophobicContact CD2-CG2 3.35Å; L348-L409 HydrophobicContact CD1-CD2 4.46Å; L348-L409 HydrophobicContact CD2-CD1 3.88Å; L348-L409 HydrophobicContact CD2-CD2 4.4Å; L348-L409 HydrophobicContact CD2-CG 4.44Å
349M96.3Very high96.1Very high83 Ų8339.5 Ų39.541%0.40918%0.182SC..Hα-helixtrans-65-36.1177.2-69.8-72.2-67.600110.9K345 E346 A347 R352 R353 V373K345-M349 WeakPolarHBondContact O-CG 3.45Å; K345-M349 PolarHBondContact O-N 3.33Å; E346-M349 WeakPolarHBondContact O-CB 3.3Å; E346-M349 PolarHBondContact O-N 2.8Å; E346-M349 VanDerWaalsContact O-N 3.16Å; A347-M349 VanDerWaalsContact C-N 3.33Å; A347-M349 PolarHBondContact O-N 2.86Å; M349-R352 PolarHBondContact O-N 3.22Å; M349-R352 PolarHBondContact SD-NH2 3.11Å; M349-R353 WeakPolarHBondContact O-CB 3.25Å; M349-R353 PolarHBondContact O-N 3.12Å; M349-V373 HydrophobicContact SD-CG2 3.86Å
350E97.6Very high96.1Very high38 Ų3843.2 Ų43.218%0.17821%0.205CC..Hα-helixtrans-71.6-39178.6-168.566.4-176.300113.3L335 T338 E346 A347 L348 R352 R353 H354L335-E350 HydrophobicContact CD1-CB 4.25Å; L335-E350 HydrophobicContact CD1-CG 3.85Å; T338-E350 HydrophobicContact CG2-CB 4.09Å; T338-E350 HydrophobicContact CG2-CG 3.85Å; E346-E350 PolarHBondContact O-N 2.95Å; A347-E350 WeakPolarHBondContact O-CB 3.41Å; A347-E350 PolarHBondContact O-N 3.43Å; A347-E350 VanDerWaalsContact O-N 3.14Å; L348-E350 VanDerWaalsContact C-N 3.25Å; L348-E350 PolarHBondContact O-N 2.77Å; E350-R352 VanDerWaalsContact C-N 3.3Å; E350-R352 PolarHBondContact O-N 2.97Å; E350-R353 PolarHBondContact O-N 3.42Å; E350-R353 IonicContact OE1-CZ 2.75Å; E350-R353 IonicContact OE1-NE 3.65Å; E350-R353 PolarHBondContact OE1-NE 3.23Å; E350-R353 IonicContact OE1-NH2 2.62Å; E350-R353 PolarHBondContact OE1-NH2 3.31Å; E350-R353 IonicContact OE2-CZ 3.61Å; E350-R353 IonicContact OE2-NE 2.59Å; E350-R353 PolarHBondContact OE2-NE 3.49Å; E350-R353 IonicContact OE2-NH2 3.89Å; E350-H354 PolarHBondContact O-N 2.86Å; E350-H354 PolarHBondContact O-ND1 3.04Å; E350-H354 IonicContact OE1-CE1 3.51Å; E350-H354 PolarHBondContact OE1-CE1 2.97Å; E350-H354 IonicContact OE1-ND1 2.63Å; E350-H354 PolarHBondContact OE1-ND1 2.95Å; E350-H354 IonicContact OE1-NE2 2.72Å
351V97.9Very high96.1Very high0 Ų050.8 Ų50.80%024%0.238CC..Hα-helixtrans-57.2-48170.4172.10000109.7L281 L335 M339 A347 L348 R353 H354 L355 L378 T405L281-V351 HydrophobicContact CD2-CG2 4.08Å; L335-V351 HydrophobicContact CD1-CB 4.41Å; L335-V351 HydrophobicContact CD1-CG2 3.84Å; L335-V351 HydrophobicContact CD2-CG2 4.43Å; M339-V351 HydrophobicContact CG-CG2 4.29Å; M339-V351 HydrophobicContact SD-CG2 3.93Å; A347-V351 WeakPolarHBondContact O-CG2 3.36Å; A347-V351 PolarHBondContact O-N 3.47Å; L348-V351 PolarHBondContact O-N 3.47Å; V351-R353 PolarHBondContact O-N 3.28Å; V351-H354 PolarHBondContact O-N 3.03Å; V351-L355 HydrophobicContact CG1-CD1 4.11Å; V351-L355 WeakPolarHBondContact O-CG 3.46Å; V351-L355 PolarHBondContact O-N 3.32Å; V351-L378 HydrophobicContact CG1-CD1 4.4Å; V351-L378 HydrophobicContact CG1-CD2 4.14Å; V351-T405 HydrophobicContact CG1-CG2 4.33Å; V351-T405 HydrophobicContact CG2-CG2 4.48Å
352R97.1Very high96.2Very high37 Ų3753 Ų5314%0.1425%0.247CC..Hα-helixtrans-60.5-45.4177.3-173.518065.3-172.34111.6L348 M349 E350 L355 V356 G371 V373 L378 Y381L348-R352 PolarHBondContact O-N 3.29Å; L348-R352 VanDerWaalsContact O-N 3.15Å; M349-R352 PolarHBondContact O-N 3.22Å; M349-R352 PolarHBondContact SD-NH2 3.11Å; E350-R352 VanDerWaalsContact C-N 3.3Å; E350-R352 PolarHBondContact O-N 2.97Å; R352-L355 PolarHBondContact O-N 2.72Å; R352-V356 HydrophobicContact CG-CG2 4.39Å; R352-V356 WeakPolarHBondContact O-CB 3.36Å; R352-V356 VanDerWaalsContact O-CG2 3.24Å; R352-V356 WeakPolarHBondContact O-CG2 3.27Å; R352-V356 PolarHBondContact O-N 3.16Å; R352-G371 PolarHBondContact NH1-O 2.82Å; R352-V373 HydrophobicContact CB-CG1 4.41Å; R352-V373 HydrophobicContact CB-CG2 4.21Å; R352-L378 HydrophobicContact CB-CD2 4.28Å; R352-Y381 HydrophobicContact CG-CE2 3.94Å
353R96.4Very high96.2Very high88 Ų8861.3 Ų61.333%0.33228%0.281SS..Hα-helixtrans-57-50.6179.3-172.6-173.473.177.45.3110.9M349 E350 V351 V356 E357M349-R353 WeakPolarHBondContact O-CB 3.25Å; M349-R353 PolarHBondContact O-N 3.12Å; E350-R353 PolarHBondContact O-N 3.42Å; E350-R353 IonicContact OE1-CZ 2.75Å; E350-R353 IonicContact OE1-NE 3.65Å; E350-R353 PolarHBondContact OE1-NE 3.23Å; E350-R353 IonicContact OE1-NH2 2.62Å; E350-R353 PolarHBondContact OE1-NH2 3.31Å; E350-R353 IonicContact OE2-CZ 3.61Å; E350-R353 IonicContact OE2-NE 2.59Å; E350-R353 PolarHBondContact OE2-NE 3.49Å; E350-R353 IonicContact OE2-NH2 3.89Å; V351-R353 PolarHBondContact O-N 3.28Å; R353-V356 WeakPolarHBondContact O-CB 3.11Å; R353-V356 PolarHBondContact O-N 2.82Å; R353-E357 WeakPolarHBondContact CG-OE1 3.44Å; R353-E357 IonicContact CZ-OE1 3.52Å; R353-E357 IonicContact CZ-OE2 2.85Å; R353-E357 IonicContact NH1-OE1 3.21Å; R353-E357 PolarHBondContact NH1-OE1 3.48Å; R353-E357 IonicContact NH1-OE2 3.73Å; R353-E357 PolarHBondContact NH1-OE2 2.75Å; R353-E357 WeakPolarHBondContact O-CG 3.38Å; R353-E357 PolarHBondContact O-N 3.4Å
354H97.4Very high96.1Very high4 Ų458 Ų582%0.01927%0.268CS..Hα-helixtrans-64.8-40.5-179-79.5101.1000113.6S331 L335 E350 V351 V356 E357 A358 V398S331-H354 PolarHBondContact OG-CD2 2.91Å; L335-H354 HydrophobicContact CD2-CB 4.1Å; E350-H354 PolarHBondContact O-N 2.86Å; E350-H354 PolarHBondContact O-ND1 3.04Å; E350-H354 IonicContact OE1-CE1 3.51Å; E350-H354 PolarHBondContact OE1-CE1 2.97Å; E350-H354 IonicContact OE1-ND1 2.63Å; E350-H354 PolarHBondContact OE1-ND1 2.95Å; E350-H354 IonicContact OE1-NE2 2.72Å; V351-H354 PolarHBondContact O-N 3.03Å; H354-V356 VanDerWaalsContact C-N 3.32Å; H354-V356 PolarHBondContact O-N 2.96Å; H354-E357 PolarHBondContact O-N 3.49Å; H354-A358 WeakPolarHBondContact O-CB 3.44Å; H354-A358 PolarHBondContact O-N 3.01Å; H354-V398 HydrophobicContact CB-CG1 3.83Å
355L97Very high96Very high0 Ų061.7 Ų61.70%029%0.294CS..Hα-helixtrans-62.5-40.9174.2-72.7171.4000111.9V351 R352 A359 L378 Y381 V382 V398 L399V351-L355 HydrophobicContact CG1-CD1 4.11Å; V351-L355 WeakPolarHBondContact O-CG 3.46Å; V351-L355 PolarHBondContact O-N 3.32Å; R352-L355 PolarHBondContact O-N 2.72Å; L355-A359 WeakPolarHBondContact O-CB 3.38Å; L355-A359 PolarHBondContact O-N 2.66Å; L355-L378 HydrophobicContact CD1-CB 4.36Å; L355-L378 HydrophobicContact CD1-CD2 3.79Å; L355-Y381 HydrophobicContact CB-CD2 4.27Å; L355-V382 HydrophobicContact CD1-CG2 4.21Å; L355-V382 HydrophobicContact CD2-CG2 3.74Å; L355-V398 HydrophobicContact CD2-CG1 4.07Å; L355-V398 HydrophobicContact CG-CG1 4.43Å; L355-L399 HydrophobicContact CD2-CD2 3.9Å
356V96Very high95.9Very high23 Ų2355.4 Ų55.414%0.13927%0.268CS..Hα-helixtrans-64.4-44.1177166.90000111.2R352 R353 H354 A359 T360 I366 M368 Y381R352-V356 HydrophobicContact CG-CG2 4.39Å; R352-V356 WeakPolarHBondContact O-CB 3.36Å; R352-V356 VanDerWaalsContact O-CG2 3.24Å; R352-V356 WeakPolarHBondContact O-CG2 3.27Å; R352-V356 PolarHBondContact O-N 3.16Å; R353-V356 WeakPolarHBondContact O-CB 3.11Å; R353-V356 PolarHBondContact O-N 2.82Å; H354-V356 VanDerWaalsContact C-N 3.32Å; H354-V356 PolarHBondContact O-N 2.96Å; V356-A359 PolarHBondContact O-N 3.4Å; V356-T360 VanDerWaalsContact O-CB 3.32Å; V356-T360 WeakPolarHBondContact O-CB 3.29Å; V356-T360 PolarHBondContact O-N 2.97Å; V356-T360 PolarHBondContact O-OG1 2.89Å; V356-I366 HydrophobicContact CB-CD1 4.07Å; V356-I366 HydrophobicContact CG1-CD1 4.27Å; V356-I366 HydrophobicContact CG2-CD1 3.7Å; V356-M368 HydrophobicContact CG1-CE 3.25Å; V356-M368 HydrophobicContact CG1-SD 4.17Å; V356-Y381 HydrophobicContact CG2-CD2 4.11Å; V356-Y381 HydrophobicContact CG2-CE2 3.71Å
357E96.1Very high95.5Very high91 Ų9159 Ų5943%0.42528%0.283SS..Hα-helixtrans-65.2-44.5178.3-76.8175.5-173.200112.3R353 H354 A359 T360 K361R353-E357 WeakPolarHBondContact CG-OE1 3.44Å; R353-E357 IonicContact CZ-OE1 3.52Å; R353-E357 IonicContact CZ-OE2 2.85Å; R353-E357 IonicContact NH1-OE1 3.21Å; R353-E357 PolarHBondContact NH1-OE1 3.48Å; R353-E357 IonicContact NH1-OE2 3.73Å; R353-E357 PolarHBondContact NH1-OE2 2.75Å; R353-E357 WeakPolarHBondContact O-CG 3.38Å; R353-E357 PolarHBondContact O-N 3.4Å; H354-E357 PolarHBondContact O-N 3.49Å; E357-A359 PolarHBondContact O-N 3.24Å; E357-T360 PolarHBondContact O-N 2.71Å; E357-K361 WeakPolarHBondContact O-CB 3.43Å; E357-K361 PolarHBondContact O-N 3.33Å
358A96.1Very high94.9Very high6 Ų665.1 Ų65.15%0.0531%0.313CS..Hα-helixtrans-57.2-50.5174.200000110.6H354 T360 K361 E362 F385 H395H354-A358 WeakPolarHBondContact O-CB 3.44Å; H354-A358 PolarHBondContact O-N 3.01Å; A358-T360 VanDerWaalsContact C-N 3.32Å; A358-T360 PolarHBondContact O-N 3.05Å; A358-K361 PolarHBondContact O-N 3.49Å; A358-E362 WeakPolarHBondContact O-CG 3.33Å; A358-E362 PolarHBondContact O-N 3.04Å; A358-E362 VanDerWaalsContact O-N 3.13Å; A358-F385 HydrophobicContact CB-CE1 4.42Å; A358-F385 HydrophobicContact CB-CZ 3.81Å; A358-H395 HydrophobicContact CB-CB 4.35Å
359A95.6Very high94Very high0 Ų067.4 Ų67.40%033%0.33CS..Hα-helixtrans-64.2-37.9-179.100000112.4L355 V356 E357 E362 K363 L364 I366 L384 F385L355-A359 WeakPolarHBondContact O-CB 3.38Å; L355-A359 PolarHBondContact O-N 2.66Å; V356-A359 PolarHBondContact O-N 3.4Å; E357-A359 PolarHBondContact O-N 3.24Å; A359-E362 CarbonylContact O-C 3.46Å; A359-E362 PolarHBondContact O-N 2.94Å; A359-K363 PolarHBondContact O-N 3.21Å; A359-K363 VanDerWaalsContact O-N 3.15Å; A359-L364 HydrophobicContact CB-CB 4.31Å; A359-L364 HydrophobicContact CB-CD1 4.5Å; A359-L364 PolarHBondContact O-N 3.03Å; A359-I366 HydrophobicContact CB-CB 4.26Å; A359-I366 HydrophobicContact CB-CD1 3.83Å; A359-L384 HydrophobicContact CB-CD1 4.27Å; A359-F385 HydrophobicContact CB-CE2 4.05Å; A359-F385 HydrophobicContact CB-CZ 4.13Å
360T95.5Very high93Very high77 Ų7772.3 Ų72.347%0.47235%0.354SS..Hα-helixtrans-66.6-42.4177.7-57.70000111.3V356 E357 A358 E362 K363V356-T360 VanDerWaalsContact O-CB 3.32Å; V356-T360 WeakPolarHBondContact O-CB 3.29Å; V356-T360 PolarHBondContact O-N 2.97Å; V356-T360 PolarHBondContact O-OG1 2.89Å; E357-T360 PolarHBondContact O-N 2.71Å; A358-T360 VanDerWaalsContact C-N 3.32Å; A358-T360 PolarHBondContact O-N 3.05Å; T360-E362 VanDerWaalsContact C-N 3.28Å; T360-E362 PolarHBondContact O-N 3.31Å; T360-K363 PolarHBondContact O-N 2.9Å
361K95.4Very high92.3Very high159 Ų15972.9 Ų72.969%0.69137%0.37SS*.Hα-helixtrans-60.5-39.6177.2-173.2-179.1176.7-172.10111.7E357 A358 K363E357-K361 WeakPolarHBondContact O-CB 3.43Å; E357-K361 PolarHBondContact O-N 3.33Å; A358-K361 PolarHBondContact O-N 3.49Å; K361-K363 PolarHBondContact O-N 3.46Å
362E96Very high91.8Very high62 Ų6283.9 Ų83.929%0.2941%0.412SS..THydrogen-bonded Turntrans-81.92.3176.7-59.7-54.3139.900113.6A358 A359 T360 L364 F385 A391 H395A358-E362 WeakPolarHBondContact O-CG 3.33Å; A358-E362 PolarHBondContact O-N 3.04Å; A358-E362 VanDerWaalsContact O-N 3.13Å; A359-E362 CarbonylContact O-C 3.46Å; A359-E362 PolarHBondContact O-N 2.94Å; T360-E362 VanDerWaalsContact C-N 3.28Å; T360-E362 PolarHBondContact O-N 3.31Å; E362-L364 HydrophobicContact CB-CD1 3.99Å; E362-L364 HydrophobicContact CB-CG 3.8Å; E362-L364 PolarHBondContact O-N 3.15Å; E362-F385 HydrophobicContact CG-CE1 4Å; E362-A391 HydrophobicContact CB-CB 4.41Å; E362-A391 HydrophobicContact CG-CB 3.82Å; E362-H395 IonicContact OE1-CD2 2.66Å; E362-H395 PolarHBondContact OE1-CD2 3.12Å; E362-H395 IonicContact OE1-CE1 3.18Å; E362-H395 IonicContact OE1-NE2 2.85Å; E362-H395 PolarHBondContact OE1-NE2 2.98Å
363K94.8Very high91.6Very high193 Ų19382.6 Ų82.684%0.83941%0.408SS*.THydrogen-bonded Turntrans56.132.2-178.6-54.6175.6-176.6172.40113.5A359 T360 K361A359-K363 PolarHBondContact O-N 3.21Å; A359-K363 VanDerWaalsContact O-N 3.15Å; T360-K363 PolarHBondContact O-N 2.9Å; K361-K363 PolarHBondContact O-N 3.46Å
364L93.8Very high91.5Very high34 Ų3481.1 Ų81.118%0.17841%0.409CS..  trans-76.5151.2178.3-60.9175.4000110.8A359 E362 I366 L384 F385A359-L364 HydrophobicContact CB-CB 4.31Å; A359-L364 HydrophobicContact CB-CD1 4.5Å; A359-L364 PolarHBondContact O-N 3.03Å; E362-L364 HydrophobicContact CB-CD1 3.99Å; E362-L364 HydrophobicContact CB-CG 3.8Å; E362-L364 PolarHBondContact O-N 3.15Å; L364-I366 PolarHBondContact O-N 3.03Å; L364-L384 HydrophobicContact CB-CB 4.13Å; L364-L384 HydrophobicContact CB-CD1 4.27Å; L364-L384 HydrophobicContact CD1-CB 3.85Å; L364-F385 HydrophobicContact CD1-CD1 3.9Å; L364-F385 HydrophobicContact CD1-CD2 3.87Å; L364-F385 HydrophobicContact CD1-CE1 3.83Å; L364-F385 HydrophobicContact CD1-CE2 3.8Å; L364-F385 HydrophobicContact CD1-CG 3.92Å; L364-F385 HydrophobicContact CD1-CZ 3.79Å
365P92.6Very high91.5Very high107 Ų10782.1 Ų82.170%0.69542%0.416SS*.  trans-76.370.4-174.732.2-36.5000112L384P365-L384 HydrophobicContact CG-CD2 4.21Å
366I91.6Very high91.4Very high33 Ų3387.2 Ų87.217%0.16944%0.443CS..  trans-78.8130.4-179.2-167.9163.1000111.8V356 A359 L364 M368 Y381 L384V356-I366 HydrophobicContact CB-CD1 4.07Å; V356-I366 HydrophobicContact CG1-CD1 4.27Å; V356-I366 HydrophobicContact CG2-CD1 3.7Å; A359-I366 HydrophobicContact CB-CB 4.26Å; A359-I366 HydrophobicContact CB-CD1 3.83Å; L364-I366 PolarHBondContact O-N 3.03Å; I366-M368 HydrophobicContact CG2-CE 4.48Å; I366-Y381 HydrophobicContact CD1-CD1 3.75Å; I366-Y381 HydrophobicContact CD1-CD2 4.28Å; I366-Y381 HydrophobicContact CD1-CE1 3.94Å; I366-Y381 HydrophobicContact CD1-CE2 4.43Å; I366-Y381 HydrophobicContact CD1-CG 3.94Å; I366-Y381 HydrophobicContact CG1-CD1 3.78Å; I366-Y381 HydrophobicContact CG1-CE1 3.77Å; I366-Y381 HydrophobicContact CG1-CG 4.47Å; I366-L384 HydrophobicContact CB-CD1 3.95Å; I366-L384 HydrophobicContact CG1-CD1 4.23Å
367K88.8Confident91.3Very high187 Ų18786.7 Ų86.781%0.81344%0.439SS*.  trans-100.9104.8172.1-67.7-176.8-179178.60109.2Y381K367-Y381 WeakPolarHBondContact O-CE1 3.41Å; K367-Y381 PolarHBondContact O-OH 3.02Å
368M83.4Confident91.3Very high128 Ų12882.4 Ų82.463%0.63142%0.419SS*.  trans-73.4130.5177.7-59.7-158.6-176.100110.7V356 I366V356-M368 HydrophobicContact CG1-CE 3.25Å; V356-M368 HydrophobicContact CG1-SD 4.17Å; I366-M368 HydrophobicContact CG2-CE 4.48Å
369S78.7Confident91.3Very high65 Ų6582.3 Ų82.346%0.45542%0.418SS..  trans-118.8132.2168.3580000111.3Q377S369-Q377 PolarHBondContact O-NE2 3.06Å; S369-Q377 PolarHBondContact OG-NE2 3.43Å
370M75.4Confident91.3Very high187 Ų18785 Ų8592%0.92144%0.437SS*.  trans-81.7132175.9-63.5-63.5-75.600109.2
371G82.5Confident91.3Very high50 Ų5081.6 Ų81.652%0.51542%0.415SS..SBendtrans143-164.317700000114.6R352R352-G371 PolarHBondContact NH1-O 2.82Å
372R87.9Confident91.3Very high230 Ų23074 Ų7487%0.86838%0.382SS*.SBendtrans-61.4136.5175.2-176.7177.7179.5175.10.5109.8T374R372-T374 PolarHBondContact O-N 3.33Å
373V93.4Very high91.3Very high10 Ų1075 Ų756%0.06139%0.386CS..  trans-68.6124.8174.3-173.80000108.8M349 R352 L378M349-V373 HydrophobicContact SD-CG2 3.86Å; R352-V373 HydrophobicContact CB-CG1 4.41Å; R352-V373 HydrophobicContact CB-CG2 4.21Å; V373-L378 HydrophobicContact CG1-CD1 4.02Å; V373-L378 HydrophobicContact CG1-CD2 3.67Å; V373-L378 HydrophobicContact CG1-CG 3.84Å
374T94.6Very high91.3Very high58 Ų5868.1 Ų68.136%0.35636%0.358SS..  trans-116.5152.1176.869.30000110.5R372 D376 Q377 L378R372-T374 PolarHBondContact O-N 3.33Å; T374-D376 VanDerWaalsContact C-N 3.27Å; T374-D376 PolarHBondContact O-N 3.08Å; T374-Q377 WeakPolarHBondContact O-CB 3.44Å; T374-Q377 PolarHBondContact O-N 3.27Å; T374-Q377 VanDerWaalsContact O-N 3.13Å; T374-Q377 WeakPolarHBondContact OG1-CB 3.4Å; T374-Q377 PolarHBondContact OG1-N 3.13Å; T374-L378 PolarHBondContact O-N 3.42Å; T374-L378 VanDerWaalsContact O-N 3.11Å
375P95.8Very high91.3Very high25 Ų2566.5 Ų66.516%0.16235%0.349CS..Hα-helixtrans-60.6-35.2176.617.1-26.6000113.3Q377 L378 C379 A406 L409 R410P375-Q377 VanDerWaalsContact C-N 3.31Å; P375-Q377 PolarHBondContact O-N 3.26Å; P375-L378 PolarHBondContact O-N 2.95Å; P375-C379 WeakPolarHBondContact O-CB 2.96Å; P375-C379 PolarHBondContact O-N 3.38Å; P375-C379 PolarHBondContact O-SG 3.29Å; P375-C379 VanDerWaalsContact O-SG 3.42Å; P375-A406 HydrophobicContact CB-CB 4.2Å; P375-A406 WeakPolarHBondContact CB-O 3.33Å; P375-L409 HydrophobicContact CB-CB 3.95Å; P375-L409 HydrophobicContact CG-CB 3.83Å; P375-R410 HydrophobicContact CB-CG 3.54Å; P375-R410 HydrophobicContact CG-CG 3.6Å
376D94.8Very high91.3Very high107 Ų10766 Ų6657%0.57233%0.334SS*.Hα-helixtrans-62.9-38.2174.9-63.7-33000112.6T374 S380 R410T374-D376 VanDerWaalsContact C-N 3.27Å; T374-D376 PolarHBondContact O-N 3.08Å; D376-S380 WeakPolarHBondContact O-CB 3.31Å; D376-S380 PolarHBondContact O-N 2.93Å; D376-R410 IonicContact OD1-CZ 3.94Å; D376-R410 IonicContact OD1-NE 3.35Å; D376-R410 IonicContact OD1-NH2 2.91Å; D376-R410 PolarHBondContact OD1-NH2 3.48Å
377Q94.8Very high91.1Very high12 Ų1270.3 Ų70.36%0.05637%0.366CS..Hα-helixtrans-61.9-50.3174.3-176-175.543.400110.5S369 T374 P375 C379 S380 Y381S369-Q377 PolarHBondContact O-NE2 3.06Å; S369-Q377 PolarHBondContact OG-NE2 3.43Å; T374-Q377 WeakPolarHBondContact O-CB 3.44Å; T374-Q377 PolarHBondContact O-N 3.27Å; T374-Q377 VanDerWaalsContact O-N 3.13Å; T374-Q377 WeakPolarHBondContact OG1-CB 3.4Å; T374-Q377 PolarHBondContact OG1-N 3.13Å; P375-Q377 VanDerWaalsContact C-N 3.31Å; P375-Q377 PolarHBondContact O-N 3.26Å; Q377-C379 PolarHBondContact O-N 2.92Å; Q377-S380 WeakPolarHBondContact O-CB 3.33Å; Q377-S380 PolarHBondContact O-N 3.14Å; Q377-S380 VanDerWaalsContact O-N 3.16Å; Q377-S380 PolarHBondContact O-OG 3.2Å; Q377-Y381 HydrophobicContact CG-CE1 4.26Å; Q377-Y381 HydrophobicContact CG-CE2 3.79Å; Q377-Y381 PolarHBondContact NE2-OH 3.4Å; Q377-Y381 PolarHBondContact O-N 3.42Å
378L96.6Very high91.1Very high0 Ų063.4 Ų63.40%034%0.341CS..Hα-helixtrans-59.6-48.1179.4-62.3179.7000111.5V351 R352 L355 V373 T374 P375 S380 Y381 V382 T405 A406 L409V351-L378 HydrophobicContact CG1-CD1 4.4Å; V351-L378 HydrophobicContact CG1-CD2 4.14Å; R352-L378 HydrophobicContact CB-CD2 4.28Å; L355-L378 HydrophobicContact CD1-CB 4.36Å; L355-L378 HydrophobicContact CD1-CD2 3.79Å; V373-L378 HydrophobicContact CG1-CD1 4.02Å; V373-L378 HydrophobicContact CG1-CD2 3.67Å; V373-L378 HydrophobicContact CG1-CG 3.84Å; T374-L378 PolarHBondContact O-N 3.42Å; T374-L378 VanDerWaalsContact O-N 3.11Å; P375-L378 PolarHBondContact O-N 2.95Å; L378-S380 VanDerWaalsContact C-N 3.28Å; L378-S380 PolarHBondContact O-N 3.31Å; L378-Y381 PolarHBondContact O-N 3.32Å; L378-Y381 VanDerWaalsContact O-N 3.12Å; L378-V382 WeakPolarHBondContact O-CG2 3.35Å; L378-V382 PolarHBondContact O-N 3.12Å; L378-T405 HydrophobicContact CD1-CG2 3.55Å; L378-A406 HydrophobicContact CB-CB 4.04Å; L378-A406 HydrophobicContact CD1-CB 4.36Å; L378-L409 HydrophobicContact CD1-CD1 4.28Å
379C95.8Very high91.4Very high4 Ų466.5 Ų66.53%0.02735%0.346CS..Hα-helixtrans-60.2-37176-72.10000112.5P375 Q377 Y381 V382 K383 A406 R410P375-C379 WeakPolarHBondContact O-CB 2.96Å; P375-C379 PolarHBondContact O-N 3.38Å; P375-C379 PolarHBondContact O-SG 3.29Å; P375-C379 VanDerWaalsContact O-SG 3.42Å; Q377-C379 PolarHBondContact O-N 2.92Å; C379-Y381 VanDerWaalsContact C-N 3.27Å; C379-Y381 PolarHBondContact O-N 3.18Å; C379-V382 PolarHBondContact O-N 3.46Å; C379-K383 WeakPolarHBondContact O-CB 3.28Å; C379-K383 WeakPolarHBondContact O-CG 3.29Å; C379-K383 PolarHBondContact O-N 2.92Å; C379-A406 VanDerWaalsContact SG-CB 3.6Å; C379-R410 VanDerWaalsContact SG-CZ 3.53Å; C379-R410 PolarHBondContact SG-NH1 2.82Å; C379-R410 PolarHBondContact SG-NH2 2.68Å; C379-R410 VanDerWaalsContact SG-NH2 3.43Å
380S95.1Very high92Very high57 Ų5770.7 Ų70.740%0.39936%0.359SS..Hα-helixtrans-63.2-34.2177.379.40000112.6D376 Q377 L378D376-S380 WeakPolarHBondContact O-CB 3.31Å; D376-S380 PolarHBondContact O-N 2.93Å; Q377-S380 WeakPolarHBondContact O-CB 3.33Å; Q377-S380 PolarHBondContact O-N 3.14Å; Q377-S380 VanDerWaalsContact O-N 3.16Å; Q377-S380 PolarHBondContact O-OG 3.2Å; L378-S380 VanDerWaalsContact C-N 3.28Å; L378-S380 PolarHBondContact O-N 3.31Å
381Y95.6Very high92.9Very high5 Ų561.8 Ų61.82%0.0232%0.315CS..Hα-helixtrans-75.5-43.8176.8-60-17.6000111.5R352 L355 V356 I366 K367 Q377 L378 C379 K383 L384R352-Y381 HydrophobicContact CG-CE2 3.94Å; L355-Y381 HydrophobicContact CB-CD2 4.27Å; V356-Y381 HydrophobicContact CG2-CD2 4.11Å; V356-Y381 HydrophobicContact CG2-CE2 3.71Å; I366-Y381 HydrophobicContact CD1-CD1 3.75Å; I366-Y381 HydrophobicContact CD1-CD2 4.28Å; I366-Y381 HydrophobicContact CD1-CE1 3.94Å; I366-Y381 HydrophobicContact CD1-CE2 4.43Å; I366-Y381 HydrophobicContact CD1-CG 3.94Å; I366-Y381 HydrophobicContact CG1-CD1 3.78Å; I366-Y381 HydrophobicContact CG1-CE1 3.77Å; I366-Y381 HydrophobicContact CG1-CG 4.47Å; K367-Y381 WeakPolarHBondContact O-CE1 3.41Å; K367-Y381 PolarHBondContact O-OH 3.02Å; Q377-Y381 HydrophobicContact CG-CE1 4.26Å; Q377-Y381 HydrophobicContact CG-CE2 3.79Å; Q377-Y381 PolarHBondContact NE2-OH 3.4Å; Q377-Y381 PolarHBondContact O-N 3.42Å; L378-Y381 PolarHBondContact O-N 3.32Å; L378-Y381 VanDerWaalsContact O-N 3.12Å; C379-Y381 VanDerWaalsContact C-N 3.27Å; C379-Y381 PolarHBondContact O-N 3.18Å; Y381-K383 VanDerWaalsContact C-N 3.33Å; Y381-K383 PolarHBondContact O-N 3.43Å; Y381-L384 WeakPolarHBondContact O-CB 3.12Å; Y381-L384 WeakPolarHBondContact O-CG 3.13Å; Y381-L384 PolarHBondContact O-N 3Å
382V95.8Very high93.3Very high0 Ų060.6 Ų60.60%030%0.297CS..Hα-helixtrans-60.2-42.5177172.40000111.6L306 L355 L378 C379 L384 F385 L399 L403L306-V382 HydrophobicContact CD1-CG1 4.09Å; L306-V382 HydrophobicContact CD2-CG1 3.32Å; L306-V382 WeakPolarHBondContact CD2-O 3.42Å; L306-V382 HydrophobicContact CG-CG1 3.66Å; L355-V382 HydrophobicContact CD1-CG2 4.21Å; L355-V382 HydrophobicContact CD2-CG2 3.74Å; L378-V382 WeakPolarHBondContact O-CG2 3.35Å; L378-V382 PolarHBondContact O-N 3.12Å; C379-V382 PolarHBondContact O-N 3.46Å; V382-L384 PolarHBondContact O-N 3.15Å; V382-L384 VanDerWaalsContact O-N 3.08Å; V382-F385 WeakPolarHBondContact O-CD2 3.48Å; V382-F385 PolarHBondContact O-N 3.47Å; V382-F385 VanDerWaalsContact O-N 3.08Å; V382-L399 HydrophobicContact CB-CD2 4.4Å; V382-L399 HydrophobicContact CG1-CD2 4.24Å; V382-L399 HydrophobicContact CG2-CD2 4.17Å; V382-L403 HydrophobicContact CB-CD2 4.36Å; V382-L403 HydrophobicContact CG1-CD1 4.08Å; V382-L403 HydrophobicContact CG1-CD2 3.82Å; V382-L403 HydrophobicContact CG1-CG 3.83Å; V382-L403 HydrophobicContact CG2-CD2 4.44Å; V382-L403 HydrophobicContact CG2-CG 4.36Å
383K94.8Very high93.4Very high84 Ų8456.1 Ų56.137%0.36529%0.286SS..G310 helixtrans-60-21.9-179.5-78.6170.8-174.6-176.20114.5E305 C379 Y381 F385 R386E305-K383 WeakPolarHBondContact OE1-CE 3.3Å; E305-K383 IonicContact OE1-NZ 2.77Å; E305-K383 PolarHBondContact OE1-NZ 2.88Å; E305-K383 WeakPolarHBondContact OE2-CE 3.36Å; E305-K383 IonicContact OE2-NZ 3.91Å; E305-K383 PolarHBondContact OE2-NZ 3.46Å; C379-K383 WeakPolarHBondContact O-CB 3.28Å; C379-K383 WeakPolarHBondContact O-CG 3.29Å; C379-K383 PolarHBondContact O-N 2.92Å; Y381-K383 VanDerWaalsContact C-N 3.33Å; Y381-K383 PolarHBondContact O-N 3.43Å; K383-F385 PolarHBondContact O-N 3.47Å; K383-R386 WeakPolarHBondContact O-CB 3.37Å; K383-R386 PolarHBondContact O-N 3.03Å
384L94.8Very high93.4Very high48 Ų4859.1 Ų59.125%0.25131%0.307SS..G310 helixtrans-61.5-24.1177-61.7175.3000112.3A359 L364 P365 I366 Y381 V382A359-L384 HydrophobicContact CB-CD1 4.27Å; L364-L384 HydrophobicContact CB-CB 4.13Å; L364-L384 HydrophobicContact CB-CD1 4.27Å; L364-L384 HydrophobicContact CD1-CB 3.85Å; P365-L384 HydrophobicContact CG-CD2 4.21Å; I366-L384 HydrophobicContact CB-CD1 3.95Å; I366-L384 HydrophobicContact CG1-CD1 4.23Å; Y381-L384 WeakPolarHBondContact O-CB 3.12Å; Y381-L384 WeakPolarHBondContact O-CG 3.13Å; Y381-L384 PolarHBondContact O-N 3Å; V382-L384 PolarHBondContact O-N 3.15Å; V382-L384 VanDerWaalsContact O-N 3.08Å
385F95.4Very high93.4Very high0 Ų057 Ų570%029%0.293CS..G310 helixtrans-87.1-15.3-176.7-66.1-102.3000113.4L306 A358 A359 E362 L364 V382 K383 S387 S388 A391 L392 H395 L399L306-F385 HydrophobicContact CD2-CB 4.34Å; A358-F385 HydrophobicContact CB-CE1 4.42Å; A358-F385 HydrophobicContact CB-CZ 3.81Å; A359-F385 HydrophobicContact CB-CE2 4.05Å; A359-F385 HydrophobicContact CB-CZ 4.13Å; E362-F385 HydrophobicContact CG-CE1 4Å; L364-F385 HydrophobicContact CD1-CD1 3.9Å; L364-F385 HydrophobicContact CD1-CD2 3.87Å; L364-F385 HydrophobicContact CD1-CE1 3.83Å; L364-F385 HydrophobicContact CD1-CE2 3.8Å; L364-F385 HydrophobicContact CD1-CG 3.92Å; L364-F385 HydrophobicContact CD1-CZ 3.79Å; V382-F385 WeakPolarHBondContact O-CD2 3.48Å; V382-F385 PolarHBondContact O-N 3.47Å; V382-F385 VanDerWaalsContact O-N 3.08Å; K383-F385 PolarHBondContact O-N 3.47Å; F385-S387 PolarHBondContact O-N 3.18Å; F385-S388 PolarHBondContact O-N 2.89Å; F385-A391 HydrophobicContact CD1-CB 3.76Å; F385-A391 HydrophobicContact CE1-CB 4.19Å; F385-L392 HydrophobicContact CB-CD2 3.61Å; F385-L392 HydrophobicContact CB-CG 4.15Å; F385-L392 WeakPolarHBondContact O-CD1 3.48Å; F385-L392 VanDerWaalsContact O-CG 3.23Å; F385-L392 WeakPolarHBondContact O-CG 3.33Å; F385-H395 HydrophobicContact CE1-CB 4.17Å; F385-H395 AromaticContact CE1-CD2 3.96Å; F385-L399 HydrophobicContact CB-CD1 3.89Å; F385-L399 HydrophobicContact CD1-CD1 3.99Å; F385-L399 HydrophobicContact CD1-CD2 4.39Å; F385-L399 HydrophobicContact CD2-CD1 4.36Å; F385-L399 HydrophobicContact CD2-CD2 3.57Å; F385-L399 HydrophobicContact CE2-CD2 3.76Å; F385-L399 HydrophobicContact CG-CD1 3.84Å; F385-L399 HydrophobicContact CG-CD2 3.91Å; F385-L399 HydrophobicContact CZ-CD2 4.25Å
386R91.7Very high93.3Very high97 Ų9758.1 Ų58.137%0.36630%0.301SS..THydrogen-bonded Turntrans-48.8-31.6-172-167.5-174.8-151.21707114.7L306 T307 K383L306-R386 WeakPolarHBondContact O-CG 3.16Å; T307-R386 PolarHBondContact O-NE 3.37Å; T307-R386 PolarHBondContact O-NH2 3.3Å; K383-R386 WeakPolarHBondContact O-CB 3.37Å; K383-R386 PolarHBondContact O-N 3.03Å
387S87Confident93.3Very high122 Ų12253.4 Ų53.485%0.85328%0.277SS*.THydrogen-bonded Turntrans-102.8-0.7-174.7-51.40000114.4F385F385-S387 PolarHBondContact O-N 3.18Å
388S89.5Confident93.4Very high42 Ų4252.9 Ų52.929%0.29428%0.275SS..  trans-119.498-176.6-177.20000110.6F385 E390 A391 L392F385-S388 PolarHBondContact O-N 2.89Å; S388-E390 PolarHBondContact O-N 3.47Å; S388-A391 PolarHBondContact O-N 2.9Å; S388-A391 VanDerWaalsContact OG-CB 3.29Å; S388-A391 WeakPolarHBondContact OG-CB 3.35Å; S388-L392 WeakPolarHBondContact O-CB 3.34Å; S388-L392 VanDerWaalsContact O-CG 3.26Å; S388-L392 WeakPolarHBondContact O-CG 3.3Å; S388-L392 PolarHBondContact O-N 2.94Å
389W89.7Confident93.5Very high193 Ų19352.9 Ų52.973%0.73128%0.275SS*.Hα-helixtrans-60-46-177.6-176.7-98.1000112.7A391 L392 E393W389-A391 VanDerWaalsContact C-N 3.31Å; W389-A391 PolarHBondContact O-N 2.93Å; W389-L392 WeakPolarHBondContact O-CB 3.29Å; W389-L392 PolarHBondContact O-N 2.96Å; W389-E393 PolarHBondContact NE1-OE2 3.06Å; W389-E393 WeakPolarHBondContact O-CB 3.16Å; W389-E393 PolarHBondContact O-N 2.69Å
390E92.1Very high93.5Very high153 Ų15353.7 Ų53.772%0.71528%0.278SS*.Hα-helixtrans-61.3-40179.5-65.6178.9-179.300112.1S388 S394S388-E390 PolarHBondContact O-N 3.47Å; E390-S394 VanDerWaalsContact O-CB 3.26Å; E390-S394 WeakPolarHBondContact O-CB 3.47Å; E390-S394 PolarHBondContact O-N 3.21Å; E390-S394 PolarHBondContact O-OG 3.08Å
391A93.1Very high93.6Very high0 Ų051 Ų510%026%0.259CS..Hα-helixtrans-71.2-38.317700000111.9E362 F385 S388 W389 H395E362-A391 HydrophobicContact CB-CB 4.41Å; E362-A391 HydrophobicContact CG-CB 3.82Å; F385-A391 HydrophobicContact CD1-CB 3.76Å; F385-A391 HydrophobicContact CE1-CB 4.19Å; S388-A391 PolarHBondContact O-N 2.9Å; S388-A391 VanDerWaalsContact OG-CB 3.29Å; S388-A391 WeakPolarHBondContact OG-CB 3.35Å; W389-A391 VanDerWaalsContact C-N 3.31Å; W389-A391 PolarHBondContact O-N 2.93Å; A391-H395 WeakPolarHBondContact O-CB 3.45Å; A391-H395 PolarHBondContact O-CD2 2.5Å; A391-H395 VanDerWaalsContact O-CD2 3.31Å; A391-H395 PolarHBondContact O-N 2.78Å
392L91.4Very high93.8Very high25 Ų2550.8 Ų50.813%0.13126%0.258CS..Hα-helixtrans-59.6-51.6173.3-74.6166.9000110.5L306 F385 S388 W389 S394 H395 C396 L399L306-L392 HydrophobicContact CB-CD2 4.43Å; L306-L392 HydrophobicContact CD1-CD2 4.21Å; L306-L392 HydrophobicContact CD2-CD2 3.68Å; L306-L392 HydrophobicContact CG-CD2 4.33Å; F385-L392 HydrophobicContact CB-CD2 3.61Å; F385-L392 HydrophobicContact CB-CG 4.15Å; F385-L392 WeakPolarHBondContact O-CD1 3.48Å; F385-L392 VanDerWaalsContact O-CG 3.23Å; F385-L392 WeakPolarHBondContact O-CG 3.33Å; S388-L392 WeakPolarHBondContact O-CB 3.34Å; S388-L392 VanDerWaalsContact O-CG 3.26Å; S388-L392 WeakPolarHBondContact O-CG 3.3Å; S388-L392 PolarHBondContact O-N 2.94Å; W389-L392 WeakPolarHBondContact O-CB 3.29Å; W389-L392 PolarHBondContact O-N 2.96Å; L392-S394 VanDerWaalsContact C-N 3.35Å; L392-S394 PolarHBondContact O-N 2.77Å; L392-H395 PolarHBondContact O-N 3.08Å; L392-C396 WeakPolarHBondContact O-CA 3.34Å; L392-C396 WeakPolarHBondContact O-CB 3.3Å; L392-C396 PolarHBondContact O-N 3.11Å; L392-L399 HydrophobicContact CD2-CD1 3.84Å
393E90.1Very high93.9Very high137 Ų13750.8 Ų50.864%0.6426%0.259SS*.Hα-helixtrans-59.8-46.4179.7-172.8172.4-177.300111.1W389 H395W389-E393 PolarHBondContact NE1-OE2 3.06Å; W389-E393 WeakPolarHBondContact O-CB 3.16Å; W389-E393 PolarHBondContact O-N 2.69Å; E393-H395 VanDerWaalsContact C-N 3.34Å; E393-H395 PolarHBondContact O-N 3.3Å
394S92.2Very high94Very high73 Ų7346.8 Ų46.851%0.5124%0.241SC..Hα-helixtrans-66.7-30.9-177.6-61.70000114.2E390 L392E390-S394 VanDerWaalsContact O-CB 3.26Å; E390-S394 WeakPolarHBondContact O-CB 3.47Å; E390-S394 PolarHBondContact O-N 3.21Å; E390-S394 PolarHBondContact O-OG 3.08Å; L392-S394 VanDerWaalsContact C-N 3.35Å; L392-S394 PolarHBondContact O-N 2.77Å
395H95.2Very high94.2Very high14 Ų1444.5 Ų44.57%0.06523%0.229CC..Hα-helixtrans-118.410.8-174.2-61.1-80.2000113.8A358 E362 F385 A391 L392 E393 G397 V398 L399A358-H395 HydrophobicContact CB-CB 4.35Å; E362-H395 IonicContact OE1-CD2 2.66Å; E362-H395 PolarHBondContact OE1-CD2 3.12Å; E362-H395 IonicContact OE1-CE1 3.18Å; E362-H395 IonicContact OE1-NE2 2.85Å; E362-H395 PolarHBondContact OE1-NE2 2.98Å; F385-H395 HydrophobicContact CE1-CB 4.17Å; F385-H395 AromaticContact CE1-CD2 3.96Å; A391-H395 WeakPolarHBondContact O-CB 3.45Å; A391-H395 PolarHBondContact O-CD2 2.5Å; A391-H395 VanDerWaalsContact O-CD2 3.31Å; A391-H395 PolarHBondContact O-N 2.78Å; L392-H395 PolarHBondContact O-N 3.08Å; E393-H395 VanDerWaalsContact C-N 3.34Å; E393-H395 PolarHBondContact O-N 3.3Å; H395-G397 PolarHBondContact O-N 3.21Å; H395-G397 VanDerWaalsContact O-N 3.07Å; H395-V398 PolarHBondContact O-N 2.8Å; H395-L399 HydrophobicContact CB-CD1 4.44Å; H395-L399 HydrophobicContact CB-CG 4.41Å; H395-L399 WeakPolarHBondContact O-CG 3.45Å; H395-L399 PolarHBondContact O-N 2.86Å
396C93.6Very high94.3Very high48 Ų4844.6 Ų44.632%0.32423%0.23SC..Hα-helixtrans-50.6-42.9-171.4-167.70000112.3L392 L399 Q400L392-C396 WeakPolarHBondContact O-CA 3.34Å; L392-C396 WeakPolarHBondContact O-CB 3.3Å; L392-C396 PolarHBondContact O-N 3.11Å; C396-L399 PolarHBondContact O-N 3.47Å; C396-Q400 WeakPolarHBondContact O-CB 3.26Å; C396-Q400 VanDerWaalsContact O-CG 3.31Å; C396-Q400 WeakPolarHBondContact O-CG 3.2Å; C396-Q400 PolarHBondContact O-N 3.13Å; C396-Q400 PolarHBondContact SG-NE2 3.12Å
397G95.4Very high94.5Very high7 Ų742 Ų427%0.07222%0.222CC..Hα-helixtrans-63.2-44179.400000114.7H395 L399 Q400 L401H395-G397 PolarHBondContact O-N 3.21Å; H395-G397 VanDerWaalsContact O-N 3.07Å; G397-L399 VanDerWaalsContact C-N 3.3Å; G397-L399 PolarHBondContact O-N 2.84Å; G397-Q400 PolarHBondContact O-N 2.92Å; G397-L401 WeakPolarHBondContact O-CG 3.16Å; G397-L401 PolarHBondContact O-N 3.44Å
398V97.3Very high95Very high1 Ų136.2 Ų36.21%0.00618%0.181CC..Hα-helixtrans-65.6-38.8176.21760000110.4A332 L335 H354 L355 H395 G402A332-V398 HydrophobicContact CB-CG2 4.02Å; L335-V398 HydrophobicContact CD2-CG1 4.25Å; H354-V398 HydrophobicContact CB-CG1 3.83Å; L355-V398 HydrophobicContact CD2-CG1 4.07Å; L355-V398 HydrophobicContact CG-CG1 4.43Å; H395-V398 PolarHBondContact O-N 2.8Å; V398-G402 PolarHBondContact O-N 3.36Å
399L97.1Very high95.3Very high0 Ų036 Ų360%018%0.177CC..Hα-helixtrans-66.3-41.4177.9-60.8173000111.9L306 L355 V382 F385 L392 H395 C396 G397 G402 L403L306-L399 HydrophobicContact CD1-CB 4.09Å; L306-L399 HydrophobicContact CD1-CD1 4.34Å; L306-L399 HydrophobicContact CD2-CD1 4.45Å; L355-L399 HydrophobicContact CD2-CD2 3.9Å; V382-L399 HydrophobicContact CB-CD2 4.4Å; V382-L399 HydrophobicContact CG1-CD2 4.24Å; V382-L399 HydrophobicContact CG2-CD2 4.17Å; F385-L399 HydrophobicContact CB-CD1 3.89Å; F385-L399 HydrophobicContact CD1-CD1 3.99Å; F385-L399 HydrophobicContact CD1-CD2 4.39Å; F385-L399 HydrophobicContact CD2-CD1 4.36Å; F385-L399 HydrophobicContact CD2-CD2 3.57Å; F385-L399 HydrophobicContact CE2-CD2 3.76Å; F385-L399 HydrophobicContact CG-CD1 3.84Å; F385-L399 HydrophobicContact CG-CD2 3.91Å; F385-L399 HydrophobicContact CZ-CD2 4.25Å; L392-L399 HydrophobicContact CD2-CD1 3.84Å; H395-L399 HydrophobicContact CB-CD1 4.44Å; H395-L399 HydrophobicContact CB-CG 4.41Å; H395-L399 WeakPolarHBondContact O-CG 3.45Å; H395-L399 PolarHBondContact O-N 2.86Å; C396-L399 PolarHBondContact O-N 3.47Å; G397-L399 VanDerWaalsContact C-N 3.3Å; G397-L399 PolarHBondContact O-N 2.84Å; L399-G402 PolarHBondContact O-N 3.27Å; L399-L403 WeakPolarHBondContact O-CB 3.47Å; L399-L403 WeakPolarHBondContact O-CG 3.37Å; L399-L403 PolarHBondContact O-N 2.72Å
400Q96.9Very high95.5Very high22 Ų2232 Ų3210%0.10316%0.161CC..Hα-helixtrans-60.5-49.8174.5-77.11798200111.6M303 C323 C396 G397 G402 L403 A404M303-Q400 HydrophobicContact CE-CG 3.39Å; M303-Q400 HydrophobicContact SD-CG 3.7Å; C323-Q400 PolarHBondContact O-OE1 2.85Å; C396-Q400 WeakPolarHBondContact O-CB 3.26Å; C396-Q400 VanDerWaalsContact O-CG 3.31Å; C396-Q400 WeakPolarHBondContact O-CG 3.2Å; C396-Q400 PolarHBondContact O-N 3.13Å; C396-Q400 PolarHBondContact SG-NE2 3.12Å; G397-Q400 PolarHBondContact O-N 2.92Å; Q400-G402 VanDerWaalsContact C-N 3.29Å; Q400-G402 PolarHBondContact O-N 3.29Å; Q400-L403 PolarHBondContact O-N 3.39Å; Q400-L403 VanDerWaalsContact O-N 3.17Å; Q400-A404 WeakPolarHBondContact O-CB 3.38Å; Q400-A404 PolarHBondContact O-N 2.98Å
401L98Very high95.5Very high0 Ų027.2 Ų27.20%014%0.139CC..Hα-helixtrans-62.5-36.8176.4-65.5179.1000112.4L324 Q326 A332 L335 W336 M339 G397 T405L324-L401 HydrophobicContact CB-CD2 4.49Å; L324-L401 HydrophobicContact CD2-CD2 3.98Å; Q326-L401 HydrophobicContact CG-CD1 3.86Å; Q326-L401 HydrophobicContact CG-CD2 4.41Å; Q326-L401 HydrophobicContact CG-CG 4.18Å; A332-L401 WeakPolarHBondContact O-CD1 3.45Å; L335-L401 HydrophobicContact CB-CD1 4.08Å; L335-L401 HydrophobicContact CD2-CB 3.97Å; L335-L401 HydrophobicContact CD2-CD1 3.87Å; L335-L401 HydrophobicContact CG-CD1 3.84Å; W336-L401 HydrophobicContact CB-CD1 4.07Å; W336-L401 HydrophobicContact CE3-CD2 3.99Å; M339-L401 HydrophobicContact CE-CD2 4.49Å; M339-L401 HydrophobicContact SD-CB 4.12Å; M339-L401 HydrophobicContact SD-CD1 4.21Å; M339-L401 HydrophobicContact SD-CD2 4.28Å; M339-L401 HydrophobicContact SD-CG 4.44Å; G397-L401 WeakPolarHBondContact O-CG 3.16Å; G397-L401 PolarHBondContact O-N 3.44Å; L401-T405 WeakPolarHBondContact O-CB 3.08Å; L401-T405 PolarHBondContact O-N 2.66Å; L401-T405 PolarHBondContact O-OG1 2.95Å
402G98.1Very high95.2Very high0 Ų031.1 Ų31.10%016%0.164CC..Hα-helixtrans-63.9-41.6173.400000113.2V398 L399 Q400 A406V398-G402 PolarHBondContact O-N 3.36Å; L399-G402 PolarHBondContact O-N 3.27Å; Q400-G402 VanDerWaalsContact C-N 3.29Å; Q400-G402 PolarHBondContact O-N 3.29Å; G402-A406 WeakPolarHBondContact O-CB 3.32Å; G402-A406 PolarHBondContact O-N 3.09Å
403L97.8Very high95Very high1 Ų132.7 Ų32.71%0.00517%0.173CC..Hα-helixtrans-69-44.7176-77.5174.4000112.2V301 M303 E305 L306 V382 L399 Q400 T405 A406 Q407V301-L403 HydrophobicContact CG1-CB 3.67Å; M303-L403 HydrophobicContact CE-CD1 4.26Å; M303-L403 HydrophobicContact SD-CD1 3.78Å; E305-L403 HydrophobicContact CB-CD2 3.82Å; E305-L403 HydrophobicContact CG-CD2 4.08Å; L306-L403 HydrophobicContact CD1-CD1 3.73Å; L306-L403 HydrophobicContact CG-CD1 4.03Å; V382-L403 HydrophobicContact CB-CD2 4.36Å; V382-L403 HydrophobicContact CG1-CD1 4.08Å; V382-L403 HydrophobicContact CG1-CD2 3.82Å; V382-L403 HydrophobicContact CG1-CG 3.83Å; V382-L403 HydrophobicContact CG2-CD2 4.44Å; V382-L403 HydrophobicContact CG2-CG 4.36Å; L399-L403 WeakPolarHBondContact O-CB 3.47Å; L399-L403 WeakPolarHBondContact O-CG 3.37Å; L399-L403 PolarHBondContact O-N 2.72Å; Q400-L403 PolarHBondContact O-N 3.39Å; Q400-L403 VanDerWaalsContact O-N 3.17Å; L403-T405 VanDerWaalsContact C-N 3.27Å; L403-T405 PolarHBondContact O-N 2.78Å; L403-A406 PolarHBondContact O-N 2.95Å; L403-A406 VanDerWaalsContact O-N 3.11Å; L403-Q407 WeakPolarHBondContact O-CB 3.44Å; L403-Q407 VanDerWaalsContact O-CG 3.25Å; L403-Q407 WeakPolarHBondContact O-CG 3.31Å; L403-Q407 PolarHBondContact O-N 3.21Å
404A98Very high94.8Very high0 Ų027.3 Ų27.30%015%0.148CC..Hα-helixtrans-54-48.8174.300000110.1I285 L289 V301 L324 Q400 A406 Q407 T408I285-A404 HydrophobicContact CD1-CB 4.37Å; I285-A404 HydrophobicContact CG2-CB 4.14Å; L289-A404 HydrophobicContact CD1-CB 4.05Å; V301-A404 HydrophobicContact CG1-CB 4.22Å; V301-A404 HydrophobicContact CG2-CB 3.76Å; L324-A404 HydrophobicContact CD2-CB 3.82Å; Q400-A404 WeakPolarHBondContact O-CB 3.38Å; Q400-A404 PolarHBondContact O-N 2.98Å; A404-A406 PolarHBondContact O-N 2.85Å; A404-Q407 PolarHBondContact O-N 2.98Å; A404-T408 WeakPolarHBondContact O-CB 3.4Å; A404-T408 PolarHBondContact O-N 2.84Å; A404-T408 PolarHBondContact O-OG1 3.16Å
405T98.4Very high94.4Very high0 Ų025.7 Ų25.70%014%0.14CC..Hα-helixtrans-58-47.8175.8-580000112.1L281 L348 V351 L378 L401 L403 Q407 T408 L409L281-T405 HydrophobicContact CD1-CG2 4.24Å; L281-T405 HydrophobicContact CD2-CG2 4.05Å; L348-T405 HydrophobicContact CD2-CG2 3.35Å; V351-T405 HydrophobicContact CG1-CG2 4.33Å; V351-T405 HydrophobicContact CG2-CG2 4.48Å; L378-T405 HydrophobicContact CD1-CG2 3.55Å; L401-T405 WeakPolarHBondContact O-CB 3.08Å; L401-T405 PolarHBondContact O-N 2.66Å; L401-T405 PolarHBondContact O-OG1 2.95Å; L403-T405 VanDerWaalsContact C-N 3.27Å; L403-T405 PolarHBondContact O-N 2.78Å; T405-Q407 PolarHBondContact O-N 3.02Å; T405-T408 PolarHBondContact O-N 2.67Å; T405-L409 HydrophobicContact CG2-CD1 4.19Å; T405-L409 VanDerWaalsContact O-CG 3.28Å; T405-L409 WeakPolarHBondContact O-CG 3.29Å; T405-L409 PolarHBondContact O-N 3.26Å
406A97.8Very high93.9Very high1 Ų126.8 Ų26.81%0.00814%0.143CC..Hα-helixtrans-65.8-37.9-179.300000112.7P375 L378 C379 G402 L403 A404 R410P375-A406 HydrophobicContact CB-CB 4.2Å; P375-A406 WeakPolarHBondContact CB-O 3.33Å; L378-A406 HydrophobicContact CB-CB 4.04Å; L378-A406 HydrophobicContact CD1-CB 4.36Å; C379-A406 VanDerWaalsContact SG-CB 3.6Å; G402-A406 WeakPolarHBondContact O-CB 3.32Å; G402-A406 PolarHBondContact O-N 3.09Å; L403-A406 PolarHBondContact O-N 2.95Å; L403-A406 VanDerWaalsContact O-N 3.11Å; A404-A406 PolarHBondContact O-N 2.85Å; A406-R410 WeakPolarHBondContact O-CG 3.39Å; A406-R410 PolarHBondContact O-N 3.18Å
407Q96.2Very high93.5Very high43 Ų4324.9 Ų24.920%0.20113%0.129CC..Hα-helixtrans-65.1-49176.2-71.8168.542.200110.7L289 D302 L403 A404 T405 L409 R410 H411L289-Q407 HydrophobicContact CD2-CB 3.87Å; D302-Q407 VanDerWaalsContact N-NE2 3.13Å; D302-Q407 PolarHBondContact O-NE2 3.16Å; L403-Q407 WeakPolarHBondContact O-CB 3.44Å; L403-Q407 VanDerWaalsContact O-CG 3.25Å; L403-Q407 WeakPolarHBondContact O-CG 3.31Å; L403-Q407 PolarHBondContact O-N 3.21Å; A404-Q407 PolarHBondContact O-N 2.98Å; T405-Q407 PolarHBondContact O-N 3.02Å; Q407-L409 VanDerWaalsContact C-N 3.34Å; Q407-L409 PolarHBondContact O-N 3.34Å; Q407-R410 CarbonylContact O-C 3.58Å; Q407-R410 PolarHBondContact O-N 2.98Å; Q407-H411 PolarHBondContact O-N 3.22Å
408T96.8Very high93.2Very high0 Ų028.7 Ų28.70%015%0.148CC..Hα-helixtrans-56.8-45176.3-63.80000112.3K284 I285 V288 A404 T405 R410 H411K284-T408 HydrophobicContact CB-CG2 4.07Å; I285-T408 WeakPolarHBondContact CA-OG1 3.38Å; I285-T408 HydrophobicContact CG1-CG2 4.09Å; I285-T408 WeakPolarHBondContact CG1-OG1 3.06Å; V288-T408 HydrophobicContact CG2-CG2 3.68Å; A404-T408 WeakPolarHBondContact O-CB 3.4Å; A404-T408 PolarHBondContact O-N 2.84Å; A404-T408 PolarHBondContact O-OG1 3.16Å; T405-T408 PolarHBondContact O-N 2.67Å; T408-R410 PolarHBondContact O-N 3.43Å; T408-H411 WeakPolarHBondContact O-CB 3.5Å; T408-H411 PolarHBondContact O-N 3.22Å; T408-H411 VanDerWaalsContact O-N 3.12Å
409L95.5Very high92.7Very high39 Ų3930.5 Ų30.520%0.20416%0.16CC..Hα-helixtrans-67.6-20.9178.6-69.4177.8000114L348 P375 L378 T405 Q407 L414L348-L409 HydrophobicContact CD1-CD2 4.46Å; L348-L409 HydrophobicContact CD2-CD1 3.88Å; L348-L409 HydrophobicContact CD2-CD2 4.4Å; L348-L409 HydrophobicContact CD2-CG 4.44Å; P375-L409 HydrophobicContact CB-CB 3.95Å; P375-L409 HydrophobicContact CG-CB 3.83Å; L378-L409 HydrophobicContact CD1-CD1 4.28Å; T405-L409 HydrophobicContact CG2-CD1 4.19Å; T405-L409 VanDerWaalsContact O-CG 3.28Å; T405-L409 WeakPolarHBondContact O-CG 3.29Å; T405-L409 PolarHBondContact O-N 3.26Å; Q407-L409 VanDerWaalsContact C-N 3.34Å; Q407-L409 PolarHBondContact O-N 3.34Å; L409-L414 HydrophobicContact CD2-CD2 4.44Å
410R94.4Very high92.3Very high107 Ų10730.5 Ų30.540%0.40416%0.16SC..Hα-helixtrans-93.6-11.1173.9-71.4175.8176.4160.62.1112.7E305 P375 D376 C379 A406 Q407 T408E305-R410 IonicContact OE1-NH1 2.68Å; P375-R410 HydrophobicContact CB-CG 3.54Å; P375-R410 HydrophobicContact CG-CG 3.6Å; D376-R410 IonicContact OD1-CZ 3.94Å; D376-R410 IonicContact OD1-NE 3.35Å; D376-R410 IonicContact OD1-NH2 2.91Å; D376-R410 PolarHBondContact OD1-NH2 3.48Å; C379-R410 VanDerWaalsContact SG-CZ 3.53Å; C379-R410 PolarHBondContact SG-NH1 2.82Å; C379-R410 PolarHBondContact SG-NH2 2.68Å; C379-R410 VanDerWaalsContact SG-NH2 3.43Å; A406-R410 WeakPolarHBondContact O-CG 3.39Å; A406-R410 PolarHBondContact O-N 3.18Å; Q407-R410 CarbonylContact O-C 3.58Å; Q407-R410 PolarHBondContact O-N 2.98Å; T408-R410 PolarHBondContact O-N 3.43Å
411H92.9Very high92.1Very high54 Ų5430.7 Ų30.725%0.2516%0.162CC..  trans-71.1129.5-169.8-161.7-83.3000110.5V288 Q407 T408 N413 L414V288-H411 HydrophobicContact CB-CB 4.21Å; V288-H411 HydrophobicContact CG2-CB 3.9Å; Q407-H411 PolarHBondContact O-N 3.22Å; T408-H411 WeakPolarHBondContact O-CB 3.5Å; T408-H411 PolarHBondContact O-N 3.22Å; T408-H411 VanDerWaalsContact O-N 3.12Å; H411-N413 VanDerWaalsContact C-N 3.26Å; H411-N413 VanDerWaalsContact CE1-CG 3.46Å; H411-N413 PolarHBondContact CE1-ND2 3.12Å; H411-N413 VanDerWaalsContact ND1-CB 3.34Å; H411-N413 WeakPolarHBondContact ND1-CB 3.46Å; H411-N413 PolarHBondContact ND1-N 2.68Å; H411-N413 VanDerWaalsContact ND1-N 3.11Å; H411-N413 PolarHBondContact O-N 2.99Å; H411-L414 WeakPolarHBondContact O-CB 3.43Å; H411-L414 PolarHBondContact O-N 3.34Å; H411-L414 VanDerWaalsContact O-N 3.08Å
412P86.9Confident91.7Very high81 Ų8132.2 Ų32.253%0.52618%0.178SC..THydrogen-bonded Turntrans-61.4-34.2-178.123.6-33.6000112.6L414 A415P412-L414 PolarHBondContact O-N 2.87Å; P412-A415 PolarHBondContact O-N 3.34Å; P412-A415 VanDerWaalsContact O-N 3.14Å
413N85.5Confident91.4Very high58 Ų5835.4 Ų35.431%0.3119%0.192SC..Hα-helixtrans-64.2-12.2177.7-63.6-11.2000114.2V288 H411 A415 R416 W417V288-N413 HydrophobicContact CG1-CB 4.41Å; H411-N413 VanDerWaalsContact C-N 3.26Å; H411-N413 VanDerWaalsContact CE1-CG 3.46Å; H411-N413 PolarHBondContact CE1-ND2 3.12Å; H411-N413 VanDerWaalsContact ND1-CB 3.34Å; H411-N413 WeakPolarHBondContact ND1-CB 3.46Å; H411-N413 PolarHBondContact ND1-N 2.68Å; H411-N413 VanDerWaalsContact ND1-N 3.11Å; H411-N413 PolarHBondContact O-N 2.99Å; N413-A415 VanDerWaalsContact C-N 3.27Å; N413-A415 PolarHBondContact O-N 3.05Å; N413-R416 WeakPolarHBondContact O-CB 3.15Å; N413-R416 PolarHBondContact O-N 3.2Å; N413-R416 PolarHBondContact OD1-NH1 3.47Å; N413-W417 PolarHBondContact O-N 3.29Å
414L87.1Confident91.1Very high24 Ų2435.4 Ų35.413%0.12619%0.192CC..Hα-helixtrans-66.8-31.6174.5-172.663.3000112K284 L409 H411 P412 W417 D418K284-L414 HydrophobicContact CD-CD1 3.85Å; K284-L414 HydrophobicContact CG-CD1 4.34Å; L409-L414 HydrophobicContact CD2-CD2 4.44Å; H411-L414 WeakPolarHBondContact O-CB 3.43Å; H411-L414 PolarHBondContact O-N 3.34Å; H411-L414 VanDerWaalsContact O-N 3.08Å; P412-L414 PolarHBondContact O-N 2.87Å; L414-W417 WeakPolarHBondContact O-CB 3.45Å; L414-W417 PolarHBondContact O-N 2.99Å; L414-D418 PolarHBondContact O-N 3.05Å
415A84.6Confident90.8Very high40 Ų4043.1 Ų43.133%0.33122%0.221SC..Hα-helixtrans-66.1-40.717300000111.1P412 N413 W417 D418 S419P412-A415 PolarHBondContact O-N 3.34Å; P412-A415 VanDerWaalsContact O-N 3.14Å; N413-A415 VanDerWaalsContact C-N 3.27Å; N413-A415 PolarHBondContact O-N 3.05Å; A415-W417 VanDerWaalsContact C-N 3.33Å; A415-W417 PolarHBondContact O-N 3.47Å; A415-D418 PolarHBondContact O-N 3.39Å; A415-S419 PolarHBondContact O-N 2.93Å; A415-S419 PolarHBondContact O-OG 3.1Å
416R82.9Confident90.5Very high37 Ų3748.6 Ų48.614%0.1425%0.25CC..Hα-helixtrans-60-41.9174.1-68167.565.7-175.69.5111.8N413 D418 S419 C420 E471N413-R416 WeakPolarHBondContact O-CB 3.15Å; N413-R416 PolarHBondContact O-N 3.2Å; N413-R416 PolarHBondContact OD1-NH1 3.47Å; R416-D418 VanDerWaalsContact C-N 3.34Å; R416-D418 PolarHBondContact O-N 2.97Å; R416-S419 WeakPolarHBondContact O-CB 3.49Å; R416-S419 PolarHBondContact O-N 3.49Å; R416-C420 PolarHBondContact O-N 2.99Å; R416-C420 PolarHBondContact O-SG 2.87Å; R416-C420 VanDerWaalsContact O-SG 3.34Å; R416-E471 IonicContact CZ-OE1 3.72Å; R416-E471 IonicContact CZ-OE2 2.74Å; R416-E471 IonicContact NE-OE1 3.39Å; R416-E471 PolarHBondContact NE-OE1 3.07Å; R416-E471 IonicContact NE-OE2 3.83Å; R416-E471 IonicContact NH1-OE1 2.77Å; R416-E471 IonicContact NH2-OE1 3.05Å; R416-E471 PolarHBondContact NH2-OE1 2.86Å; R416-E471 IonicContact NH2-OE2 3.42Å; R416-E471 PolarHBondContact NH2-OE2 3.16Å
417W87Confident90.2Very high7 Ų748.8 Ų48.83%0.02725%0.251CS..Hα-helixtrans-54.6-48.8173.5178.3-70.6000112.1H276 E283 T287 N413 L414 A415 S419 C420 L421 P671H276-W417 HydrophobicContact CB-CD2 4.15Å; H276-W417 HydrophobicContact CB-CG 4.45Å; H276-W417 HydrophobicContact CB-CZ2 3.99Å; H276-W417 AromaticContact CD2-CD2 3.36Å; H276-W417 AromaticContact CD2-CE2 3.86Å; H276-W417 AromaticContact CD2-CE3 3.28Å; H276-W417 AromaticContact CD2-CG 3.75Å; H276-W417 AromaticContact CD2-CZ3 3.72Å; H276-W417 AromaticContact NE2-CE3 3.96Å; H276-W417 PolarHBondContact O-NE1 3.35Å; H276-W417 VanDerWaalsContact O-NE1 3.08Å; E283-W417 HydrophobicContact CG-CH2 4.07Å; T287-W417 HydrophobicContact CG2-CE3 3.78Å; T287-W417 HydrophobicContact CG2-CZ3 3.64Å; T287-W417 VanDerWaalsContact OG1-CZ3 3.28Å; T287-W417 WeakPolarHBondContact OG1-CZ3 3.33Å; N413-W417 PolarHBondContact O-N 3.29Å; L414-W417 WeakPolarHBondContact O-CB 3.45Å; L414-W417 PolarHBondContact O-N 2.99Å; A415-W417 VanDerWaalsContact C-N 3.33Å; A415-W417 PolarHBondContact O-N 3.47Å; W417-S419 VanDerWaalsContact C-N 3.34Å; W417-S419 PolarHBondContact O-N 3.24Å; W417-C420 PolarHBondContact O-N 3.22Å; W417-L421 PolarHBondContact O-N 3.3Å; W417-P671 HydrophobicContact CH2-CG 4.18Å; W417-P671 HydrophobicContact CZ3-CG 3.95Å
418D87.6Confident90Very high88 Ų8847.4 Ų47.447%0.47125%0.245SC..Hα-helixtrans-67.3-35.2-179-69.4-23.3000111.6K284 L414 A415 R416 G422K284-D418 IonicContact NZ-OD1 3.52Å; L414-D418 PolarHBondContact O-N 3.05Å; A415-D418 PolarHBondContact O-N 3.39Å; R416-D418 VanDerWaalsContact C-N 3.34Å; R416-D418 PolarHBondContact O-N 2.97Å; D418-G422 PolarHBondContact O-N 3.01Å; D418-G422 VanDerWaalsContact O-N 3.09Å
419S87.6Confident89.7Confident38 Ų3849.9 Ų49.927%0.26626%0.256SS..Hα-helixtrans-62.6-48.7171.3-66.70000112A415 R416 W417 L421 G422 F423A415-S419 PolarHBondContact O-N 2.93Å; A415-S419 PolarHBondContact O-OG 3.1Å; R416-S419 WeakPolarHBondContact O-CB 3.49Å; R416-S419 PolarHBondContact O-N 3.49Å; W417-S419 VanDerWaalsContact C-N 3.34Å; W417-S419 PolarHBondContact O-N 3.24Å; S419-L421 VanDerWaalsContact C-N 3.34Å; S419-L421 PolarHBondContact O-N 3.28Å; S419-G422 WeakPolarHBondContact O-CA 3.38Å; S419-G422 PolarHBondContact O-N 3.49Å; S419-F423 WeakPolarHBondContact O-CD2 3.49Å; S419-F423 PolarHBondContact O-N 2.83Å
420C89.1Confident89.4Confident0 Ų048.6 Ų48.60%025%0.252CS..Hα-helixtrans-58.6-44.1177-71.30000111.9H276 R416 W417 G422 F423 E424 E471H276-C420 HydrophobicContact CB-CB 4.4Å; R416-C420 PolarHBondContact O-N 2.99Å; R416-C420 PolarHBondContact O-SG 2.87Å; R416-C420 VanDerWaalsContact O-SG 3.34Å; W417-C420 PolarHBondContact O-N 3.22Å; C420-G422 VanDerWaalsContact C-N 3.26Å; C420-G422 PolarHBondContact O-N 2.98Å; C420-F423 PolarHBondContact O-N 3.06Å; C420-F423 VanDerWaalsContact O-N 3.13Å; C420-E424 WeakPolarHBondContact O-CG 3.34Å; C420-E424 PolarHBondContact O-N 3.11Å; C420-E471 VanDerWaalsContact SG-CG 3.51Å
421L91.3Very high89.1Confident26 Ų2643.7 Ų43.714%0.13623%0.233CC..Hα-helixtrans-58.7-38.8173.4175.857.3000112.3H276 H277 W417 S419 R425H276-L421 HydrophobicContact CB-CB 3.9Å; H277-L421 HydrophobicContact CB-CD1 4.02Å; W417-L421 PolarHBondContact O-N 3.3Å; S419-L421 VanDerWaalsContact C-N 3.34Å; S419-L421 PolarHBondContact O-N 3.28Å; L421-R425 HydrophobicContact CD1-CG 4.33Å; L421-R425 WeakPolarHBondContact O-CG 3.17Å; L421-R425 PolarHBondContact O-N 3.28Å; L421-R425 VanDerWaalsContact O-N 3.11Å
422G91.1Very high88.5Confident33 Ų3342.7 Ų42.734%0.3424%0.238SC..Hα-helixtrans-60-48.5173.300000112.1D418 S419 C420 R425 L426D418-G422 PolarHBondContact O-N 3.01Å; D418-G422 VanDerWaalsContact O-N 3.09Å; S419-G422 WeakPolarHBondContact O-CA 3.38Å; S419-G422 PolarHBondContact O-N 3.49Å; C420-G422 VanDerWaalsContact C-N 3.26Å; C420-G422 PolarHBondContact O-N 2.98Å; G422-R425 PolarHBondContact O-N 3.3Å; G422-L426 WeakPolarHBondContact O-CG 3.49Å; G422-L426 PolarHBondContact O-N 3.05Å
423F90.8Very high88.3Confident66 Ų6644.8 Ų44.829%0.28925%0.245SC..Hα-helixtrans-63.1-46.9177.1-73.8-66.4000112.4S419 C420 R425 L426 L427 L446 L475S419-F423 WeakPolarHBondContact O-CD2 3.49Å; S419-F423 PolarHBondContact O-N 2.83Å; C420-F423 PolarHBondContact O-N 3.06Å; C420-F423 VanDerWaalsContact O-N 3.13Å; F423-R425 VanDerWaalsContact C-N 3.29Å; F423-R425 PolarHBondContact O-N 3.35Å; F423-L426 WeakPolarHBondContact O-CB 3.28Å; F423-L426 PolarHBondContact O-N 3.36Å; F423-L426 VanDerWaalsContact O-N 3.09Å; F423-L427 WeakPolarHBondContact O-CB 3.41Å; F423-L427 VanDerWaalsContact O-CG 3.27Å; F423-L427 WeakPolarHBondContact O-CG 3.23Å; F423-L427 PolarHBondContact O-N 3.48Å; F423-L446 HydrophobicContact CD1-CD1 4.02Å; F423-L446 HydrophobicContact CE1-CD1 3.9Å; F423-L446 HydrophobicContact CE1-CD2 3.79Å; F423-L446 HydrophobicContact CE1-CG 4.47Å; F423-L446 HydrophobicContact CG-CD1 4.48Å; F423-L446 HydrophobicContact CZ-CD1 4.24Å; F423-L446 HydrophobicContact CZ-CD2 3.71Å; F423-L475 HydrophobicContact CB-CD1 4.49Å; F423-L475 HydrophobicContact CB-CD2 4.35Å
424E92.6Very high88.3Confident2 Ų244.7 Ų44.71%0.00925%0.248CC..Hα-helixtrans-55.8-43.5177.1-74171-174.700112G275 H276 C420 L426 L427 L428 L475 Y478G275-E424 WeakPolarHBondContact CA-OE1 3.46Å; H276-E424 IonicContact CE1-OE1 3.25Å; H276-E424 IonicContact CG-OE1 3.63Å; H276-E424 VanDerWaalsContact N-CD 3.27Å; H276-E424 PolarHBondContact N-OE1 2.79Å; H276-E424 PolarHBondContact N-OE2 2.87Å; H276-E424 IonicContact ND1-OE1 3.88Å; H276-E424 PolarHBondContact ND1-OE1 3.3Å; C420-E424 WeakPolarHBondContact O-CG 3.34Å; C420-E424 PolarHBondContact O-N 3.11Å; E424-L426 PolarHBondContact O-N 3.1Å; E424-L427 PolarHBondContact O-N 2.87Å; E424-L428 WeakPolarHBondContact O-CB 3.48Å; E424-L428 PolarHBondContact O-N 3.25Å; E424-L475 HydrophobicContact CG-CD2 3.81Å; E424-Y478 HydrophobicContact CB-CE1 4.27Å; E424-Y478 HydrophobicContact CB-CE2 4.43Å; E424-Y478 HydrophobicContact CG-CD1 4.42Å; E424-Y478 HydrophobicContact CG-CD2 4.27Å; E424-Y478 HydrophobicContact CG-CE1 4.36Å; E424-Y478 HydrophobicContact CG-CE2 4.19Å; E424-Y478 HydrophobicContact CG-CG 4.39Å
425R91.7Very high88.2Confident161 Ų16147 Ų4761%0.60826%0.261SS*.Hα-helixtrans-62.5-42.4176.8-75.3174.2175.6178.40.9112.1L421 G422 F423 Q429L421-R425 HydrophobicContact CD1-CG 4.33Å; L421-R425 WeakPolarHBondContact O-CG 3.17Å; L421-R425 PolarHBondContact O-N 3.28Å; L421-R425 VanDerWaalsContact O-N 3.11Å; G422-R425 PolarHBondContact O-N 3.3Å; F423-R425 VanDerWaalsContact C-N 3.29Å; F423-R425 PolarHBondContact O-N 3.35Å; R425-Q429 WeakPolarHBondContact O-CG 3.41Å; R425-Q429 PolarHBondContact O-N 3.09Å; R425-Q429 VanDerWaalsContact O-N 3.13Å
426L91.9Very high88.5Confident115 Ų11545.5 Ų45.560%0.60225%0.247SC*.Hα-helixtrans-64.6-47.8177.5-70.3169.8000111.2G422 F423 E424 L428 Q429 A430G422-L426 WeakPolarHBondContact O-CG 3.49Å; G422-L426 PolarHBondContact O-N 3.05Å; F423-L426 WeakPolarHBondContact O-CB 3.28Å; F423-L426 PolarHBondContact O-N 3.36Å; F423-L426 VanDerWaalsContact O-N 3.09Å; E424-L426 PolarHBondContact O-N 3.1Å; L426-L428 PolarHBondContact O-N 2.89Å; L426-Q429 PolarHBondContact O-N 3Å; L426-A430 WeakPolarHBondContact O-CB 3.33Å; L426-A430 PolarHBondContact O-N 3.09Å
427L91.3Very high88.8Confident6 Ų644 Ų443%0.03124%0.242CC..Hα-helixtrans-60.8-44.2178-70.5173.3000111.6F423 E424 Q429 A430 L431 V439 Q442 L443 L475 L479F423-L427 WeakPolarHBondContact O-CB 3.41Å; F423-L427 VanDerWaalsContact O-CG 3.27Å; F423-L427 WeakPolarHBondContact O-CG 3.23Å; F423-L427 PolarHBondContact O-N 3.48Å; E424-L427 PolarHBondContact O-N 2.87Å; L427-Q429 VanDerWaalsContact C-N 3.33Å; L427-Q429 PolarHBondContact O-N 3.27Å; L427-A430 PolarHBondContact O-N 3.25Å; L427-A430 VanDerWaalsContact O-N 3.15Å; L427-L431 WeakPolarHBondContact O-CG 3.47Å; L427-L431 PolarHBondContact O-N 2.69Å; L427-V439 HydrophobicContact CD2-CG1 3.82Å; L427-Q442 HydrophobicContact CD2-CB 4.44Å; L427-L443 HydrophobicContact CD1-CD2 4.16Å; L427-L475 HydrophobicContact CD1-CD2 4.06Å; L427-L479 HydrophobicContact CB-CD2 3.95Å; L427-L479 HydrophobicContact CD1-CD1 4.12Å; L427-L479 HydrophobicContact CD1-CD2 4.27Å; L427-L479 HydrophobicContact CD1-CG 4.18Å; L427-L479 HydrophobicContact CD2-CD1 4.19Å; L427-L479 HydrophobicContact CD2-CD2 4.36Å; L427-L479 HydrophobicContact CG-CD2 4.42Å
428L91.4Very high89Confident14 Ų1445.3 Ų45.37%0.07325%0.254CS..Hα-helixtrans-61.6-39177.4-173.569.7000112.4E424 L426 L482 Y567E424-L428 WeakPolarHBondContact O-CB 3.48Å; E424-L428 PolarHBondContact O-N 3.25Å; L426-L428 PolarHBondContact O-N 2.89Å; L428-L482 HydrophobicContact CD1-CD1 3.78Å; L428-Y567 HydrophobicContact CD1-CD2 3.7Å; L428-Y567 HydrophobicContact CD1-CE2 3.8Å; L428-Y567 HydrophobicContact CG-CE2 4.38Å
429Q90.7Very high89.2Confident51 Ų5141.1 Ų41.124%0.23823%0.232CC..Hα-helixtrans-68.3-43.3172.1-64.8-44-67.400111.5R425 L426 L427 L431 G432 A576R425-Q429 WeakPolarHBondContact O-CG 3.41Å; R425-Q429 PolarHBondContact O-N 3.09Å; R425-Q429 VanDerWaalsContact O-N 3.13Å; L426-Q429 PolarHBondContact O-N 3Å; L427-Q429 VanDerWaalsContact C-N 3.33Å; L427-Q429 PolarHBondContact O-N 3.27Å; Q429-L431 PolarHBondContact O-N 3.25Å; Q429-G432 PolarHBondContact O-N 3.28Å; Q429-A576 PolarHBondContact NE2-O 2.95Å
430A89.7Confident89.4Confident13 Ų1339.3 Ų39.311%0.10722%0.219CC..Hα-helixtrans-62.5-31.3-177.300000112.9L426 L427 G432 D433 S434 V439L426-A430 WeakPolarHBondContact O-CB 3.33Å; L426-A430 PolarHBondContact O-N 3.09Å; L427-A430 PolarHBondContact O-N 3.25Å; L427-A430 VanDerWaalsContact O-N 3.15Å; A430-G432 PolarHBondContact O-N 2.93Å; A430-D433 PolarHBondContact O-N 3.39Å; A430-D433 VanDerWaalsContact O-N 3.12Å; A430-S434 PolarHBondContact O-N 3.45Å; A430-V439 HydrophobicContact CB-CG1 4.33Å; A430-V439 HydrophobicContact CB-CG2 3.87Å; A430-V439 WeakPolarHBondContact O-CG2 3.32Å
431L88.3Confident89.6Confident3 Ų343.7 Ų43.72%0.01624%0.236CC..Hα-helixtrans-59.5-25.8173.1-75171.9000113.3L427 Q429 F436 V439 L479 L482 A486 Y567L427-L431 WeakPolarHBondContact O-CG 3.47Å; L427-L431 PolarHBondContact O-N 2.69Å; Q429-L431 PolarHBondContact O-N 3.25Å; L431-F436 HydrophobicContact CD2-CD2 3.85Å; L431-F436 HydrophobicContact CD2-CE2 4.41Å; L431-V439 HydrophobicContact CD2-CB 4.27Å; L431-V439 HydrophobicContact CD2-CG1 4.1Å; L431-V439 HydrophobicContact CD2-CG2 4.18Å; L431-V439 HydrophobicContact CG-CG1 4.25Å; L431-L479 HydrophobicContact CD1-CD2 4.14Å; L431-L479 HydrophobicContact CD2-CD2 4.4Å; L431-L479 HydrophobicContact CG-CD2 4.37Å; L431-L482 HydrophobicContact CD1-CB 3.72Å; L431-L482 HydrophobicContact CD1-CD1 3.9Å; L431-L482 HydrophobicContact CD1-CG 4.48Å; L431-A486 HydrophobicContact CB-CB 3.97Å; L431-A486 HydrophobicContact CD2-CB 4.34Å; L431-Y567 HydrophobicContact CB-CE2 4.37Å
432G80.5Confident89.6Confident34 Ų3446.6 Ų46.635%0.35125%0.249SC..Hα-helixtrans-82.8-23.3175.900000114.3Q429 A430 Y567Q429-G432 PolarHBondContact O-N 3.28Å; A430-G432 PolarHBondContact O-N 2.93Å; G432-Y567 WeakPolarHBondContact CA-OH 3.36Å; G432-Y567 PolarHBondContact N-OH 3.44Å
433D82.3Confident89.7Confident125 Ų12545.1 Ų45.167%0.66823%0.233SC*.Hα-helixtrans-109.9-16-169.3-67.3-23.5000113.3A430A430-D433 PolarHBondContact O-N 3.39Å; A430-D433 VanDerWaalsContact O-N 3.12Å
434S84.3Confident89.7Confident55 Ų5544 Ų4439%0.38523%0.23SC..SBendtrans-140.2161.3-171.7-64.80000111.6A430A430-S434 PolarHBondContact O-N 3.45Å
435D86.8Confident89.5Confident73 Ų7347.7 Ų47.739%0.3925%0.254SS..  trans-71.6157.8174.764.825.5000113A438 V439D435-A438 PolarHBondContact O-N 2.82Å; D435-A438 VanDerWaalsContact O-N 3.1Å; D435-A438 WeakPolarHBondContact OD1-CA 3.3Å; D435-A438 WeakPolarHBondContact OD1-CB 3.21Å; D435-A438 PolarHBondContact OD1-N 3.42Å; D435-V439 WeakPolarHBondContact O-CG2 3.29Å; D435-V439 PolarHBondContact O-N 3.02Å
436F89.1Confident89.3Confident8 Ų842.3 Ų42.34%0.03524%0.237CC..Hα-helixtrans-58-43-176.6-175.8-116.3000113.1L431 A438 V439 L440 L479 Y480 A483 Q487 L497L431-F436 HydrophobicContact CD2-CD2 3.85Å; L431-F436 HydrophobicContact CD2-CE2 4.41Å; F436-A438 PolarHBondContact O-N 3.48Å; F436-V439 PolarHBondContact O-N 2.95Å; F436-L440 HydrophobicContact CD1-CD1 3.79Å; F436-L440 HydrophobicContact CD1-CG 4.31Å; F436-L440 HydrophobicContact CD2-CG 4.46Å; F436-L440 HydrophobicContact CE1-CD1 3.28Å; F436-L440 HydrophobicContact CE1-CD2 4.46Å; F436-L440 HydrophobicContact CE1-CG 3.86Å; F436-L440 HydrophobicContact CE2-CD1 4.36Å; F436-L440 HydrophobicContact CE2-CD2 4.36Å; F436-L440 HydrophobicContact CE2-CG 4.01Å; F436-L440 HydrophobicContact CZ-CD1 3.6Å; F436-L440 HydrophobicContact CZ-CD2 3.92Å; F436-L440 HydrophobicContact CZ-CG 3.67Å; F436-L440 WeakPolarHBondContact O-CB 3.19Å; F436-L440 PolarHBondContact O-N 3.32Å; F436-L479 HydrophobicContact CE2-CB 4.1Å; F436-L479 HydrophobicContact CZ-CB 4.48Å; F436-Y480 HydrophobicContact CE1-CD1 4.36Å; F436-Y480 HydrophobicContact CE1-CE1 4.13Å; F436-Y480 HydrophobicContact CZ-CD1 4.27Å; F436-Y480 HydrophobicContact CZ-CD2 4.1Å; F436-Y480 HydrophobicContact CZ-CE1 4.37Å; F436-Y480 HydrophobicContact CZ-CE2 4.19Å; F436-Y480 HydrophobicContact CZ-CG 4.16Å; F436-A483 HydrophobicContact CD1-CB 3.95Å; F436-A483 HydrophobicContact CD2-CB 3.72Å; F436-A483 HydrophobicContact CE1-CB 3.61Å; F436-A483 HydrophobicContact CE2-CB 3.38Å; F436-A483 HydrophobicContact CG-CB 4Å; F436-A483 HydrophobicContact CZ-CB 3.34Å; F436-Q487 HydrophobicContact CB-CG 4.44Å; F436-Q487 VanDerWaalsContact N-NE2 3.15Å; F436-L497 HydrophobicContact CD1-CD1 4.05Å; F436-L497 HydrophobicContact CE1-CD1 4.18Å
437P90.8Very high89.2Confident7 Ų737.2 Ų37.25%0.04521%0.21CC..Hα-helixtrans-58.1-41.5172.3-25.335.8000113.7V439 L440 R441 E496 L497 L500P437-V439 VanDerWaalsContact C-N 3.34Å; P437-V439 PolarHBondContact O-N 3.1Å; P437-L440 PolarHBondContact O-N 2.98Å; P437-R441 WeakPolarHBondContact O-CB 3.46Å; P437-R441 PolarHBondContact O-N 2.84Å; P437-E496 HydrophobicContact CB-CG 4.37Å; P437-L497 HydrophobicContact CG-CB 4.28Å; P437-L497 HydrophobicContact CG-CD1 4.37Å; P437-L500 HydrophobicContact CB-CD2 4.14Å; P437-L500 WeakPolarHBondContact O-CD2 3.1Å
438A90.3Very high88.9Confident33 Ų3343.7 Ų43.727%0.27324%0.238SC..Hα-helixtrans-64.4-38176.600000112.4D435 F436D435-A438 PolarHBondContact O-N 2.82Å; D435-A438 VanDerWaalsContact O-N 3.1Å; D435-A438 WeakPolarHBondContact OD1-CA 3.3Å; D435-A438 WeakPolarHBondContact OD1-CB 3.21Å; D435-A438 PolarHBondContact OD1-N 3.42Å; F436-A438 PolarHBondContact O-N 3.48Å
439V92.1Very high88.2Confident0 Ų045.1 Ų45.10%025%0.248CC..Hα-helixtrans-67.3-47.6175.11800000110.9L427 A430 L431 D435 F436 P437 R441 Q442 L479L427-V439 HydrophobicContact CD2-CG1 3.82Å; A430-V439 HydrophobicContact CB-CG1 4.33Å; A430-V439 HydrophobicContact CB-CG2 3.87Å; A430-V439 WeakPolarHBondContact O-CG2 3.32Å; L431-V439 HydrophobicContact CD2-CB 4.27Å; L431-V439 HydrophobicContact CD2-CG1 4.1Å; L431-V439 HydrophobicContact CD2-CG2 4.18Å; L431-V439 HydrophobicContact CG-CG1 4.25Å; D435-V439 WeakPolarHBondContact O-CG2 3.29Å; D435-V439 PolarHBondContact O-N 3.02Å; F436-V439 PolarHBondContact O-N 2.95Å; P437-V439 VanDerWaalsContact C-N 3.34Å; P437-V439 PolarHBondContact O-N 3.1Å; V439-R441 PolarHBondContact O-N 2.9Å; V439-Q442 VanDerWaalsContact O-CB 3.24Å; V439-Q442 WeakPolarHBondContact O-CB 3.49Å; V439-Q442 WeakPolarHBondContact O-CG 3.44Å; V439-Q442 PolarHBondContact O-N 3.1Å; V439-L479 HydrophobicContact CG1-CD1 4.43Å; V439-L479 HydrophobicContact CG1-CD2 3.8Å
440L92.4Very high87.2Confident0 Ų047.4 Ų47.40%025%0.254CS..Hα-helixtrans-57.6-38.1176.6-84.3178.8000112.5F436 P437 Q442 L443 L476 L479 Y480 L497 L500 L504F436-L440 HydrophobicContact CD1-CD1 3.79Å; F436-L440 HydrophobicContact CD1-CG 4.31Å; F436-L440 HydrophobicContact CD2-CG 4.46Å; F436-L440 HydrophobicContact CE1-CD1 3.28Å; F436-L440 HydrophobicContact CE1-CD2 4.46Å; F436-L440 HydrophobicContact CE1-CG 3.86Å; F436-L440 HydrophobicContact CE2-CD1 4.36Å; F436-L440 HydrophobicContact CE2-CD2 4.36Å; F436-L440 HydrophobicContact CE2-CG 4.01Å; F436-L440 HydrophobicContact CZ-CD1 3.6Å; F436-L440 HydrophobicContact CZ-CD2 3.92Å; F436-L440 HydrophobicContact CZ-CG 3.67Å; F436-L440 WeakPolarHBondContact O-CB 3.19Å; F436-L440 PolarHBondContact O-N 3.32Å; P437-L440 PolarHBondContact O-N 2.98Å; L440-Q442 PolarHBondContact O-N 3.32Å; L440-Q442 VanDerWaalsContact O-N 3.14Å; L440-L443 HydrophobicContact CD2-CD1 4.49Å; L440-L443 WeakPolarHBondContact O-CB 3.18Å; L440-L443 PolarHBondContact O-N 3.38Å; L440-L476 HydrophobicContact CD2-CD2 4.2Å; L440-L479 HydrophobicContact CD2-CB 4.4Å; L440-L479 HydrophobicContact CD2-CD1 3.84Å; L440-Y480 HydrophobicContact CD1-CE2 4.16Å; L440-Y480 HydrophobicContact CD2-CD2 4.38Å; L440-Y480 HydrophobicContact CD2-CE2 3.78Å; L440-L497 HydrophobicContact CD1-CD1 3.52Å; L440-L500 HydrophobicContact CB-CD2 3.71Å; L440-L504 HydrophobicContact CB-CD1 4.3Å; L440-L504 HydrophobicContact CD2-CD1 4.47Å
441R92.9Very high85.6Confident93 Ų9350 Ų5035%0.35128%0.283SS..Hα-helixtrans-60.7-23.7178.5-173.2172.6-76.7118.2-6.9112.5P437 V439 L443 L444 P445 E496 L500P437-R441 WeakPolarHBondContact O-CB 3.46Å; P437-R441 PolarHBondContact O-N 2.84Å; V439-R441 PolarHBondContact O-N 2.9Å; R441-L443 PolarHBondContact O-N 2.99Å; R441-L444 HydrophobicContact CG-CD1 4.22Å; R441-L444 PolarHBondContact O-N 3.5Å; R441-P445 WeakPolarHBondContact O-CD 3.17Å; R441-E496 IonicContact CZ-OE1 3.47Å; R441-E496 IonicContact NH1-OE1 2.72Å; R441-E496 PolarHBondContact NH1-OE1 2.96Å; R441-E496 IonicContact NH2-OE1 2.84Å; R441-E496 PolarHBondContact NH2-OE1 3.27Å; R441-L500 HydrophobicContact CB-CD1 4.1Å; R441-L500 HydrophobicContact CB-CD2 4.08Å; R441-L500 HydrophobicContact CG-CD1 4.26Å
442Q91.6Very high83.8Confident87 Ų8751.9 Ų51.941%0.40730%0.302SS..THydrogen-bonded Turntrans-66.5-16.1174.5-55.5-179.124.400113.2L427 V439 L440 P445L427-Q442 HydrophobicContact CD2-CB 4.44Å; V439-Q442 VanDerWaalsContact O-CB 3.24Å; V439-Q442 WeakPolarHBondContact O-CB 3.49Å; V439-Q442 WeakPolarHBondContact O-CG 3.44Å; V439-Q442 PolarHBondContact O-N 3.1Å; L440-Q442 PolarHBondContact O-N 3.32Å; L440-Q442 VanDerWaalsContact O-N 3.14Å; Q442-P445 WeakPolarHBondContact O-CD 3.49Å
443L91.8Very high82.2Confident1 Ų159.1 Ų59.11%0.00533%0.327CS..THydrogen-bonded Turntrans-80.2-26174.7-62.8-175000113.3L427 L440 R441 L446 M447 L475 L476 L479 L504L427-L443 HydrophobicContact CD1-CD2 4.16Å; L440-L443 HydrophobicContact CD2-CD1 4.49Å; L440-L443 WeakPolarHBondContact O-CB 3.18Å; L440-L443 PolarHBondContact O-N 3.38Å; R441-L443 PolarHBondContact O-N 2.99Å; L443-L446 HydrophobicContact CD2-CD1 4.1Å; L443-L446 WeakPolarHBondContact O-CA 3.29Å; L443-L446 WeakPolarHBondContact O-CB 3.37Å; L443-L446 PolarHBondContact O-N 2.91Å; L443-M447 HydrophobicContact CB-CE 4.34Å; L443-M447 PolarHBondContact O-N 3.3Å; L443-L475 HydrophobicContact CD2-CB 4.32Å; L443-L475 HydrophobicContact CD2-CD1 4.26Å; L443-L476 HydrophobicContact CD1-CD2 3.57Å; L443-L476 HydrophobicContact CD1-CG 4.01Å; L443-L479 HydrophobicContact CD1-CD1 3.76Å; L443-L479 HydrophobicContact CG-CD1 4.15Å; L443-L504 HydrophobicContact CB-CD2 4.21Å
444L91.3Very high80.5Confident44 Ų4460.1 Ų60.123%0.2333%0.333CS..G310 helixtrans-55.8-43.9-178.3-77.9172.2000113.4R441 L446 M447 L500 E503 L504 A507R441-L444 HydrophobicContact CG-CD1 4.22Å; R441-L444 PolarHBondContact O-N 3.5Å; L444-L446 PolarHBondContact O-N 3.13Å; L444-M447 PolarHBondContact O-N 3.18Å; L444-M447 VanDerWaalsContact O-N 3.12Å; L444-L500 HydrophobicContact CD1-CD1 3.78Å; L444-E503 HydrophobicContact CD2-CB 4.43Å; L444-L504 HydrophobicContact CD2-CD2 3.68Å; L444-L504 HydrophobicContact CD2-CG 4.12Å; L444-L504 HydrophobicContact CG-CD2 3.77Å; L444-L504 HydrophobicContact CG-CG 4.37Å; L444-A507 HydrophobicContact CD2-CB 4Å
445P89.5Confident78.7Confident79 Ų7961.2 Ų61.251%0.51334%0.34SS..G310 helixtrans-61.4-24.6176-24.835.3000114.6R441 Q442 K448R441-P445 WeakPolarHBondContact O-CD 3.17Å; Q442-P445 WeakPolarHBondContact O-CD 3.49Å; P445-K448 WeakPolarHBondContact O-CD 3.4Å; P445-K448 WeakPolarHBondContact O-CE 3.28Å
446L87.1Confident76.5Confident48 Ų4863 Ų6325%0.25136%0.359SS..G310 helixtrans-82.6-22.9177.8-54.1178.3000112.1F423 L443 L444 K448 L472F423-L446 HydrophobicContact CD1-CD1 4.02Å; F423-L446 HydrophobicContact CE1-CD1 3.9Å; F423-L446 HydrophobicContact CE1-CD2 3.79Å; F423-L446 HydrophobicContact CE1-CG 4.47Å; F423-L446 HydrophobicContact CG-CD1 4.48Å; F423-L446 HydrophobicContact CZ-CD1 4.24Å; F423-L446 HydrophobicContact CZ-CD2 3.71Å; L443-L446 HydrophobicContact CD2-CD1 4.1Å; L443-L446 WeakPolarHBondContact O-CA 3.29Å; L443-L446 WeakPolarHBondContact O-CB 3.37Å; L443-L446 PolarHBondContact O-N 2.91Å; L444-L446 PolarHBondContact O-N 3.13Å; L446-K448 PolarHBondContact O-N 2.98Å; L446-L472 HydrophobicContact CB-CD2 3.79Å
447M89.8Confident74Confident8 Ų867.4 Ų67.44%0.03939%0.39CS..  trans-84.358.8179.7-64.1-177.2173.100112L443 L444 L472 L476 L504 A507 L508 V511L443-M447 HydrophobicContact CB-CE 4.34Å; L443-M447 PolarHBondContact O-N 3.3Å; L444-M447 PolarHBondContact O-N 3.18Å; L444-M447 VanDerWaalsContact O-N 3.12Å; M447-L472 HydrophobicContact CG-CD1 3.96Å; M447-L472 HydrophobicContact CG-CD2 4.02Å; M447-L476 HydrophobicContact CE-CD1 3.99Å; M447-L476 HydrophobicContact CE-CD2 4.48Å; M447-L476 HydrophobicContact CE-CG 4.39Å; M447-L504 HydrophobicContact CE-CD2 3.86Å; M447-L504 HydrophobicContact SD-CB 4.5Å; M447-L504 HydrophobicContact SD-CD2 3.67Å; M447-A507 HydrophobicContact CB-CB 3.79Å; M447-A507 HydrophobicContact SD-CB 4Å; M447-L508 HydrophobicContact CE-CB 4.36Å; M447-L508 HydrophobicContact SD-CB 4.09Å; M447-V511 VanDerWaalsContact C-CG2 3.44Å; M447-V511 HydrophobicContact CB-CG2 4.21Å
448K84Confident71.5Confident141 Ų14171 Ų7161%0.61342%0.415SS*.  trans-113.2137.7177.2-67.2-179.7-175.9177.30110.8P445 L446 R450P445-K448 WeakPolarHBondContact O-CD 3.4Å; P445-K448 WeakPolarHBondContact O-CE 3.28Å; L446-K448 PolarHBondContact O-N 2.98Å; K448-R450 PolarHBondContact O-N 3.36Å
449P76.4Confident68.8Low44 Ų4474.2 Ų74.229%0.28645%0.452SS..  trans-59136.6175.3-25.235.3000111.7G451 L510 R514P449-G451 PolarHBondContact O-N 3.03Å; P449-L510 HydrophobicContact CG-CD2 3.88Å; P449-L510 HydrophobicContact CG-CG 3.79Å; P449-R514 HydrophobicContact CB-CB 4.04Å; P449-R514 HydrophobicContact CB-CG 4.04Å; P449-R514 HydrophobicContact CG-CG 4.19Å
450R70.5Confident66.1Low99 Ų9977.5 Ų77.537%0.37448%0.475SS..THydrogen-bonded Turntrans-64.2127.3173.9-69.5173.4167.7170.1-5.1109.4K448 E466 G468 E515K448-R450 PolarHBondContact O-N 3.36Å; R450-E466 PolarHBondContact NH2-O 3.26Å; R450-G468 VanDerWaalsContact NH2-CA 3.3Å; R450-E515 IonicContact NH1-OE2 3.55Å
451G56.3Low63.6Low68 Ų6888.5 Ų88.570%0.70152%0.517SS*.THydrogen-bonded Turntrans89.42417300000117.7P449P449-G451 PolarHBondContact O-N 3.03Å
452G51Low61.1Low42 Ų4288.7 Ų88.743%0.43352%0.524SS..  trans-61.1155.1170.600000113.7D454 S455G452-D454 PolarHBondContact O-N 3.33Å; G452-S455 WeakPolarHBondContact O-CB 3.29Å; G452-S455 PolarHBondContact O-N 2.92Å; G452-S455 PolarHBondContact O-OG 2.94Å
453E46.5Very low58.9Low186 Ų18686.9 Ų86.987%0.86953%0.529SS*.G310 helixtrans-52.1-25.1-173.6-68.5-178.615300114.7S455 S456E453-S455 VanDerWaalsContact C-N 3.33Å; E453-S455 PolarHBondContact O-N 3.44Å; E453-S456 PolarHBondContact O-OG 2.6Å
454D45.5Very low56.6Low147 Ų14794 Ų9479%0.78656%0.562SS**G310 helixtrans-74.6-14.8177.6-69.2-28.1000114.8G452 S456 S457G452-D454 PolarHBondContact O-N 3.33Å; D454-S456 PolarHBondContact O-N 3.38Å; D454-S457 PolarHBondContact O-OG 2.88Å; D454-S457 VanDerWaalsContact O-OG 3.09Å
455S46.8Very low54.8Low78 Ų7895.3 Ų95.355%0.54557%0.569SS.*G310 helixtrans-72.5-8.9179.261.70000113.9G452 E453 S457G452-S455 WeakPolarHBondContact O-CB 3.29Å; G452-S455 PolarHBondContact O-N 2.92Å; G452-S455 PolarHBondContact O-OG 2.94Å; E453-S455 VanDerWaalsContact C-N 3.33Å; E453-S455 PolarHBondContact O-N 3.44Å; S455-S457 PolarHBondContact O-N 2.88Å
456S40.1Very low53.7Low111 Ų11196.2 Ų96.278%0.77657%0.566SS**G310 helixtrans-74.2-6.5177.5590000114.5E453 D454E453-S456 PolarHBondContact O-OG 2.6Å; D454-S456 PolarHBondContact O-N 3.38Å
457S38.3Very low53.1Low100 Ų10094.6 Ų94.670%0.69956%0.559SS**G310 helixtrans-101-6.4-175.2670000115.6D454 S455D454-S457 PolarHBondContact O-OG 2.88Å; D454-S457 VanDerWaalsContact O-OG 3.09Å; S455-S457 PolarHBondContact O-N 2.88Å
458S37Very low53Low81 Ų8194.3 Ų94.357%0.56656%0.558SS**  trans-132.898.2177.5-73.80000110.3S460S458-S460 PolarHBondContact O-N 3.25Å
459G34.9Very low53.3Low101 Ų10187.9 Ų87.9100%1.04153%0.531SS*.  trans-67.855.5172.900000113.2
460S35.5Very low54.1Low70 Ų7087.4 Ų87.449%0.4953%0.526SS..SBendtrans-113.5147.3179.5-173.50000110.2S458 L462S458-S460 PolarHBondContact O-N 3.25Å; S460-L462 PolarHBondContact O-N 3.08Å; S460-L462 WeakPolarHBondContact OG-CD1 3.08Å; S460-L462 VanDerWaalsContact OG-CG 3.3Å; S460-L462 WeakPolarHBondContact OG-CG 3.32Å
461R39.1Very low55.1Low231 Ų23183.9 Ų83.987%0.87251%0.514SS*.G310 helixtrans-62.814.3174.9-62.3175.5174-173.1-3.9113.9G463R461-G463 PolarHBondContact O-N 2.87Å
462L40.7Very low56.9Low96 Ų9680.7 Ų80.750%0.50348%0.481SS..G310 helixtrans-67.3-28-169.9-79.1161.7000114.5S460 Q464 D465S460-L462 PolarHBondContact O-N 3.08Å; S460-L462 WeakPolarHBondContact OG-CD1 3.08Å; S460-L462 VanDerWaalsContact OG-CG 3.3Å; S460-L462 WeakPolarHBondContact OG-CG 3.32Å; L462-Q464 PolarHBondContact O-N 3.3Å; L462-Q464 VanDerWaalsContact O-N 3.12Å; L462-D465 PolarHBondContact O-N 3.37Å; L462-D465 VanDerWaalsContact O-N 3.11Å
463G43.9Very low59Low49 Ų4978.8 Ų78.851%0.50546%0.46SS..G310 helixtrans-66-14.5-177.200000115.5R461R461-G463 PolarHBondContact O-N 2.87Å
464Q45.2Very low61.3Low150 Ų15070.5 Ų70.570%0.70142%0.422SS*.G310 helixtrans-91.2-17.1175.5-71.2-175.4-6.500113.5L462L462-Q464 PolarHBondContact O-N 3.3Å; L462-Q464 VanDerWaalsContact O-N 3.12Å
465D52.8Low63.7Low72 Ų7263.5 Ų63.539%0.38539%0.385SS..THydrogen-bonded Turntrans-97.6-3.6-177.4-66.6-27.1000112.7L462L462-D465 PolarHBondContact O-N 3.37Å; L462-D465 VanDerWaalsContact O-N 3.11Å
466E67.2Low66.1Low98 Ų9859.8 Ų59.846%0.45836%0.359SS..SBendtrans-78133.6178.9-73.2177.8177.200112.4R450 G468R450-E466 PolarHBondContact NH2-O 3.26Å; E466-G468 PolarHBondContact O-N 2.79Å
467C74.8Confident68.8Low15 Ų1554.5 Ų54.510%0.10132%0.322CS..  trans-53.4125.1174-680000110.5E471 L472C467-E471 HydrophobicContact CB-CB 4.07Å; C467-L472 HydrophobicContact CB-CD2 4.47Å; C467-L472 HydrophobicContact CB-CG 4.43Å
468G86.2Confident71.5Confident1 Ų150 Ų501%0.0129%0.289CS..  trans-81.6177.7173.100000111.7R450 E466 D470 E471 L472R450-G468 VanDerWaalsContact NH2-CA 3.3Å; E466-G468 PolarHBondContact O-N 2.79Å; G468-D470 PolarHBondContact O-N 2.86Å; G468-E471 WeakPolarHBondContact CA-OE2 3.38Å; G468-E471 PolarHBondContact N-OE2 2.75Å; G468-E471 PolarHBondContact O-N 3.18Å; G468-L472 WeakPolarHBondContact O-CG 3.46Å; G468-L472 PolarHBondContact O-N 3.42Å
469P91.2Very high74.2Confident7 Ų746.2 Ų46.25%0.04526%0.262CS..Hα-helixtrans-55.9-39.1176.421-32000112.7L472 I473 V511 V512 E515 L522P469-L472 PolarHBondContact O-N 3.03Å; P469-I473 VanDerWaalsContact O-CG1 3.29Å; P469-I473 WeakPolarHBondContact O-CG1 3.4Å; P469-I473 PolarHBondContact O-N 3.33Å; P469-V511 HydrophobicContact CB-CG1 4.15Å; P469-V511 HydrophobicContact CG-CG1 4.5Å; P469-V512 HydrophobicContact CB-CG2 3.91Å; P469-E515 HydrophobicContact CG-CG 3.96Å; P469-L522 HydrophobicContact CB-CD1 4.04Å; P469-L522 HydrophobicContact CB-CD2 4.34Å; P469-L522 HydrophobicContact CG-CD1 3.68Å
470D92.3Very high77Confident34 Ų3441.5 Ų41.518%0.18221%0.213CC..Hα-helixtrans-61.9-46.2177.8-66.29.6000111.8G468 L472 I473 L474 S519 L521G468-D470 PolarHBondContact O-N 2.86Å; D470-L472 VanDerWaalsContact C-N 3.34Å; D470-L472 PolarHBondContact O-N 3.11Å; D470-I473 PolarHBondContact O-N 3.21Å; D470-L474 WeakPolarHBondContact O-CG 3.34Å; D470-L474 PolarHBondContact O-N 2.77Å; D470-S519 VanDerWaalsContact CG-OG 3.23Å; D470-S519 PolarHBondContact OD1-OG 2.59Å; D470-S519 WeakPolarHBondContact OD2-CB 3.37Å; D470-S519 PolarHBondContact OD2-OG 3.03Å; D470-L521 HydrophobicContact CB-CD2 4.19Å
471E91.3Very high79.7Confident25 Ų2538.2 Ų38.212%0.11719%0.191CC..Hα-helixtrans-67.8-34.6177.1-67.479.1-171.500112.4R416 C420 C467 G468 I473 L474 L475R416-E471 IonicContact CZ-OE1 3.72Å; R416-E471 IonicContact CZ-OE2 2.74Å; R416-E471 IonicContact NE-OE1 3.39Å; R416-E471 PolarHBondContact NE-OE1 3.07Å; R416-E471 IonicContact NE-OE2 3.83Å; R416-E471 IonicContact NH1-OE1 2.77Å; R416-E471 IonicContact NH2-OE1 3.05Å; R416-E471 PolarHBondContact NH2-OE1 2.86Å; R416-E471 IonicContact NH2-OE2 3.42Å; R416-E471 PolarHBondContact NH2-OE2 3.16Å; C420-E471 VanDerWaalsContact SG-CG 3.51Å; C467-E471 HydrophobicContact CB-CB 4.07Å; G468-E471 WeakPolarHBondContact CA-OE2 3.38Å; G468-E471 PolarHBondContact N-OE2 2.75Å; G468-E471 PolarHBondContact O-N 3.18Å; E471-I473 VanDerWaalsContact C-N 3.32Å; E471-I473 PolarHBondContact O-N 3.32Å; E471-L474 PolarHBondContact O-N 3.3Å; E471-L475 VanDerWaalsContact O-CG 3.31Å; E471-L475 WeakPolarHBondContact O-CG 3.42Å; E471-L475 PolarHBondContact O-N 2.81Å
472L93.8Very high82.1Confident1 Ų127.2 Ų27.21%0.00515%0.149CC..Hα-helixtrans-62.7-40.5174.1-69.7165.8000111.3L446 M447 C467 G468 P469 D470 L475 L476 L508L446-L472 HydrophobicContact CB-CD2 3.79Å; M447-L472 HydrophobicContact CG-CD1 3.96Å; M447-L472 HydrophobicContact CG-CD2 4.02Å; C467-L472 HydrophobicContact CB-CD2 4.47Å; C467-L472 HydrophobicContact CB-CG 4.43Å; G468-L472 WeakPolarHBondContact O-CG 3.46Å; G468-L472 PolarHBondContact O-N 3.42Å; P469-L472 PolarHBondContact O-N 3.03Å; D470-L472 VanDerWaalsContact C-N 3.34Å; D470-L472 PolarHBondContact O-N 3.11Å; L472-L475 PolarHBondContact O-N 3.48Å; L472-L476 WeakPolarHBondContact O-CG 3.45Å; L472-L476 PolarHBondContact O-N 2.79Å; L472-L508 HydrophobicContact CB-CD1 4.3Å; L472-L508 HydrophobicContact CD1-CD1 4.29Å
473I96.1Very high83.9Confident1 Ų122.9 Ų22.91%0.00513%0.127CC..Hα-helixtrans-63.5-43.3174-67.4166.5000110.7P469 D470 E471 L475 L476 I477 L508 L521 L522 L525 M546 P675 F679P469-I473 VanDerWaalsContact O-CG1 3.29Å; P469-I473 WeakPolarHBondContact O-CG1 3.4Å; P469-I473 PolarHBondContact O-N 3.33Å; D470-I473 PolarHBondContact O-N 3.21Å; E471-I473 VanDerWaalsContact C-N 3.32Å; E471-I473 PolarHBondContact O-N 3.32Å; I473-L475 PolarHBondContact O-N 2.87Å; I473-L476 PolarHBondContact O-N 3.18Å; I473-I477 HydrophobicContact CG2-CD1 4.08Å; I473-I477 WeakPolarHBondContact O-CG1 3.24Å; I473-I477 PolarHBondContact O-N 3.35Å; I473-L508 HydrophobicContact CG1-CD2 4.17Å; I473-L521 HydrophobicContact CD1-CD2 4.22Å; I473-L522 HydrophobicContact CD1-CD2 4.15Å; I473-L525 HydrophobicContact CD1-CD2 4.1Å; I473-M546 HydrophobicContact CB-SD 4.46Å; I473-M546 HydrophobicContact CD1-SD 4.31Å; I473-M546 HydrophobicContact CG1-SD 3.86Å; I473-M546 HydrophobicContact CG2-SD 3.93Å; I473-P675 HydrophobicContact CG2-CB 4.1Å; I473-P675 HydrophobicContact CG2-CG 4.15Å; I473-F679 HydrophobicContact CG2-CE2 3.79Å
474L95.4Very high85.3Confident12 Ų1224.4 Ų24.46%0.06312%0.121CC..Hα-helixtrans-61.2-43.9176-68172.7000112.1V274 D470 E471 L476 I477 Y478 P671 P675V274-L474 HydrophobicContact CB-CD2 4.03Å; V274-L474 HydrophobicContact CG1-CD2 4.06Å; D470-L474 WeakPolarHBondContact O-CG 3.34Å; D470-L474 PolarHBondContact O-N 2.77Å; E471-L474 PolarHBondContact O-N 3.3Å; L474-L476 VanDerWaalsContact C-N 3.32Å; L474-L476 PolarHBondContact O-N 2.83Å; L474-I477 PolarHBondContact O-N 2.88Å; L474-Y478 WeakPolarHBondContact O-CB 3.48Å; L474-Y478 PolarHBondContact O-N 3.14Å; L474-P671 HydrophobicContact CD1-CB 4.12Å; L474-P671 HydrophobicContact CD2-CB 4.24Å; L474-P671 VanDerWaalsContact CD2-O 3.28Å; L474-P671 WeakPolarHBondContact CD2-O 3.29Å; L474-P675 HydrophobicContact CD2-CG 3.54Å; L474-P675 HydrophobicContact CG-CG 4.38Å
475L95.1Very high86.4Confident1 Ų119 Ų191%0.00510%0.095CC..Hα-helixtrans-63.7-36.5176.6-71.3172.8000112.4F423 E424 L427 L443 E471 L472 I473 Y478 L479F423-L475 HydrophobicContact CB-CD1 4.49Å; F423-L475 HydrophobicContact CB-CD2 4.35Å; E424-L475 HydrophobicContact CG-CD2 3.81Å; L427-L475 HydrophobicContact CD1-CD2 4.06Å; L443-L475 HydrophobicContact CD2-CB 4.32Å; L443-L475 HydrophobicContact CD2-CD1 4.26Å; E471-L475 VanDerWaalsContact O-CG 3.31Å; E471-L475 WeakPolarHBondContact O-CG 3.42Å; E471-L475 PolarHBondContact O-N 2.81Å; L472-L475 PolarHBondContact O-N 3.48Å; I473-L475 PolarHBondContact O-N 2.87Å; L475-Y478 WeakPolarHBondContact O-CB 3.13Å; L475-Y478 PolarHBondContact O-N 2.83Å; L475-L479 WeakPolarHBondContact O-CB 3.48Å; L475-L479 WeakPolarHBondContact O-CG 3.37Å; L475-L479 PolarHBondContact O-N 2.97Å
476L96.5Very high86.6Confident0 Ų016.9 Ų16.90%09%0.088CC..Hα-helixtrans-63.8-48.5172.8-74168000111L440 L443 M447 L472 I473 L474 Y478 L479 Y480 L508 M546 F547 L550L440-L476 HydrophobicContact CD2-CD2 4.2Å; L443-L476 HydrophobicContact CD1-CD2 3.57Å; L443-L476 HydrophobicContact CD1-CG 4.01Å; M447-L476 HydrophobicContact CE-CD1 3.99Å; M447-L476 HydrophobicContact CE-CD2 4.48Å; M447-L476 HydrophobicContact CE-CG 4.39Å; L472-L476 WeakPolarHBondContact O-CG 3.45Å; L472-L476 PolarHBondContact O-N 2.79Å; I473-L476 PolarHBondContact O-N 3.18Å; L474-L476 VanDerWaalsContact C-N 3.32Å; L474-L476 PolarHBondContact O-N 2.83Å; L476-Y478 VanDerWaalsContact C-N 3.28Å; L476-Y478 PolarHBondContact O-N 3.36Å; L476-L479 PolarHBondContact O-N 2.76Å; L476-Y480 HydrophobicContact CD2-CE2 4.25Å; L476-Y480 VanDerWaalsContact O-CD2 3.3Å; L476-Y480 WeakPolarHBondContact O-CD2 3.32Å; L476-Y480 PolarHBondContact O-N 2.98Å; L476-L508 HydrophobicContact CD1-CD2 4.07Å; L476-M546 HydrophobicContact CD1-CE 3.82Å; L476-F547 HydrophobicContact CD1-CE2 4.03Å; L476-F547 HydrophobicContact CD1-CZ 3.91Å; L476-F547 HydrophobicContact CD2-CE1 4.35Å; L476-F547 HydrophobicContact CD2-CZ 3.91Å; L476-L550 HydrophobicContact CB-CD1 3.88Å; L476-L550 HydrophobicContact CD1-CD1 4.43Å
477I96.9Very high86.4Confident0 Ų016.1 Ų16.10%09%0.085CC..Hα-helixtrans-59.4-42.2176.7-62.8160.4000111L270 V274 I473 L474 L479 T481 L550 L553 I674 P675 L678 F679L270-I477 HydrophobicContact CB-CG2 4.29Å; L270-I477 HydrophobicContact CD1-CG2 4.36Å; V274-I477 HydrophobicContact CG1-CB 4.28Å; V274-I477 HydrophobicContact CG1-CD1 4.49Å; V274-I477 HydrophobicContact CG1-CG2 3.8Å; V274-I477 HydrophobicContact CG2-CB 4.43Å; V274-I477 HydrophobicContact CG2-CG2 4.18Å; I473-I477 HydrophobicContact CG2-CD1 4.08Å; I473-I477 WeakPolarHBondContact O-CG1 3.24Å; I473-I477 PolarHBondContact O-N 3.35Å; L474-I477 PolarHBondContact O-N 2.88Å; I477-L479 PolarHBondContact O-N 3.13Å; I477-T481 WeakPolarHBondContact O-CB 3.4Å; I477-T481 PolarHBondContact O-N 3.05Å; I477-T481 PolarHBondContact O-OG1 2.92Å; I477-L550 HydrophobicContact CB-CD2 4.31Å; I477-L550 HydrophobicContact CG1-CD2 3.72Å; I477-L553 HydrophobicContact CG2-CD1 4.25Å; I477-I674 HydrophobicContact CD1-CG2 4.42Å; I477-I674 HydrophobicContact CG2-CG2 4.38Å; I477-P675 HydrophobicContact CD1-CB 4.17Å; I477-P675 HydrophobicContact CD1-CG 3.64Å; I477-L678 HydrophobicContact CD1-CD1 3.91Å; I477-L678 HydrophobicContact CG1-CD1 4.12Å; I477-L678 HydrophobicContact CG2-CD1 4.08Å; I477-F679 HydrophobicContact CD1-CE2 3.88Å; I477-F679 HydrophobicContact CD1-CZ 4.08Å; I477-F679 HydrophobicContact CG1-CE2 4.28Å; I477-F679 HydrophobicContact CG1-CZ 4.01Å
478Y95.7Very high85.3Confident6 Ų623.2 Ų23.22%0.02412%0.122CC..Hα-helixtrans-56.9-49.6177-176.8-88.6000111.4T271 V274 E424 L474 L475 L476 L482T271-Y478 HydrophobicContact CG2-CD2 3.83Å; T271-Y478 HydrophobicContact CG2-CE2 3.4Å; T271-Y478 VanDerWaalsContact CG2-CE2 3.4Å; V274-Y478 HydrophobicContact CG2-CD2 4.18Å; E424-Y478 HydrophobicContact CB-CE1 4.27Å; E424-Y478 HydrophobicContact CB-CE2 4.43Å; E424-Y478 HydrophobicContact CG-CD1 4.42Å; E424-Y478 HydrophobicContact CG-CD2 4.27Å; E424-Y478 HydrophobicContact CG-CE1 4.36Å; E424-Y478 HydrophobicContact CG-CE2 4.19Å; E424-Y478 HydrophobicContact CG-CG 4.39Å; L474-Y478 WeakPolarHBondContact O-CB 3.48Å; L474-Y478 PolarHBondContact O-N 3.14Å; L475-Y478 WeakPolarHBondContact O-CB 3.13Å; L475-Y478 PolarHBondContact O-N 2.83Å; L476-Y478 VanDerWaalsContact C-N 3.28Å; L476-Y478 PolarHBondContact O-N 3.36Å; Y478-L482 HydrophobicContact CD1-CD1 4.07Å; Y478-L482 HydrophobicContact CE1-CD1 3.6Å; Y478-L482 WeakPolarHBondContact O-CG 3.11Å
479L94.3Very high83.5Confident0 Ų029.2 Ų29.20%016%0.163CC..Hα-helixtrans-67.3-48.3180-79.1179.5000113L427 L431 F436 V439 L440 L443 L475 L476 I477 T481 L482 A483L427-L479 HydrophobicContact CB-CD2 3.95Å; L427-L479 HydrophobicContact CD1-CD1 4.12Å; L427-L479 HydrophobicContact CD1-CD2 4.27Å; L427-L479 HydrophobicContact CD1-CG 4.18Å; L427-L479 HydrophobicContact CD2-CD1 4.19Å; L427-L479 HydrophobicContact CD2-CD2 4.36Å; L427-L479 HydrophobicContact CG-CD2 4.42Å; L431-L479 HydrophobicContact CD1-CD2 4.14Å; L431-L479 HydrophobicContact CD2-CD2 4.4Å; L431-L479 HydrophobicContact CG-CD2 4.37Å; F436-L479 HydrophobicContact CE2-CB 4.1Å; F436-L479 HydrophobicContact CZ-CB 4.48Å; V439-L479 HydrophobicContact CG1-CD1 4.43Å; V439-L479 HydrophobicContact CG1-CD2 3.8Å; L440-L479 HydrophobicContact CD2-CB 4.4Å; L440-L479 HydrophobicContact CD2-CD1 3.84Å; L443-L479 HydrophobicContact CD1-CD1 3.76Å; L443-L479 HydrophobicContact CG-CD1 4.15Å; L475-L479 WeakPolarHBondContact O-CB 3.48Å; L475-L479 WeakPolarHBondContact O-CG 3.37Å; L475-L479 PolarHBondContact O-N 2.97Å; L476-L479 PolarHBondContact O-N 2.76Å; I477-L479 PolarHBondContact O-N 3.13Å; L479-T481 PolarHBondContact O-N 2.92Å; L479-L482 CarbonylContact O-C 3.56Å; L479-L482 PolarHBondContact O-N 2.89Å; L479-A483 PolarHBondContact O-N 2.87Å
480Y93.9Very high81.4Confident2 Ų232.9 Ų32.91%0.00819%0.194CC..Hα-helixtrans-65.2-29.4-179-85.1-96.7000112.4F436 L440 L476 L482 A483 E501 F547 L550 R551 S554F436-Y480 HydrophobicContact CE1-CD1 4.36Å; F436-Y480 HydrophobicContact CE1-CE1 4.13Å; F436-Y480 HydrophobicContact CZ-CD1 4.27Å; F436-Y480 HydrophobicContact CZ-CD2 4.1Å; F436-Y480 HydrophobicContact CZ-CE1 4.37Å; F436-Y480 HydrophobicContact CZ-CE2 4.19Å; F436-Y480 HydrophobicContact CZ-CG 4.16Å; L440-Y480 HydrophobicContact CD1-CE2 4.16Å; L440-Y480 HydrophobicContact CD2-CD2 4.38Å; L440-Y480 HydrophobicContact CD2-CE2 3.78Å; L476-Y480 HydrophobicContact CD2-CE2 4.25Å; L476-Y480 VanDerWaalsContact O-CD2 3.3Å; L476-Y480 WeakPolarHBondContact O-CD2 3.32Å; L476-Y480 PolarHBondContact O-N 2.98Å; Y480-L482 PolarHBondContact O-N 3.17Å; Y480-A483 PolarHBondContact O-N 2.97Å; Y480-E501 VanDerWaalsContact OH-CD 3.29Å; Y480-E501 VanDerWaalsContact OH-CG 3.26Å; Y480-E501 WeakPolarHBondContact OH-CG 3.45Å; Y480-E501 PolarHBondContact OH-OE1 2.83Å; Y480-F547 HydrophobicContact CE2-CE1 4.21Å; Y480-F547 WeakPolarHBondContact OH-CE1 3.4Å; Y480-L550 VanDerWaalsContact CD1-C 3.5Å; Y480-L550 HydrophobicContact CD1-CB 3.8Å; Y480-L550 WeakPolarHBondContact CD1-O 3.49Å; Y480-L550 HydrophobicContact CD2-CB 4Å; Y480-L550 HydrophobicContact CD2-CD1 4.1Å; Y480-L550 HydrophobicContact CD2-CD2 4.41Å; Y480-L550 HydrophobicContact CD2-CG 4.41Å; Y480-L550 HydrophobicContact CE1-CB 4.12Å; Y480-L550 HydrophobicContact CE2-CB 4.3Å; Y480-L550 HydrophobicContact CE2-CD1 4.16Å; Y480-L550 HydrophobicContact CG-CB 3.72Å; Y480-L550 HydrophobicContact CG-CD2 4.42Å; Y480-L550 HydrophobicContact CG-CG 4.48Å; Y480-R551 HydrophobicContact CE1-CG 4.17Å; Y480-S554 WeakPolarHBondContact O-CA 3.27Å; Y480-S554 PolarHBondContact O-OG 3.22Å; Y480-S554 VanDerWaalsContact O-OG 3.11Å
481T91.6Very high79.4Confident2 Ų239.9 Ų39.91%0.01223%0.232CC..Hα-helixtrans-66.7-22.8172.4-59.10000112.6L270 T271 I477 L479 R557L270-T481 HydrophobicContact CB-CG2 4.16Å; T271-T481 WeakPolarHBondContact OG1-CG2 3.32Å; I477-T481 WeakPolarHBondContact O-CB 3.4Å; I477-T481 PolarHBondContact O-N 3.05Å; I477-T481 PolarHBondContact O-OG1 2.92Å; L479-T481 PolarHBondContact O-N 2.92Å; T481-R557 PolarHBondContact O-NH2 3.42Å
482L89.6Confident77.7Confident0 Ų042.2 Ų42.20%026%0.263CS..Hα-helixtrans-104.3-8.6-179.3-63.2171.5000113.5T271 L428 L431 Y478 L479 Y480 E484 E485 V566T271-L482 HydrophobicContact CG2-CD1 4Å; T271-L482 HydrophobicContact CG2-CD2 4.03Å; T271-L482 HydrophobicContact CG2-CG 4.16Å; L428-L482 HydrophobicContact CD1-CD1 3.78Å; L431-L482 HydrophobicContact CD1-CB 3.72Å; L431-L482 HydrophobicContact CD1-CD1 3.9Å; L431-L482 HydrophobicContact CD1-CG 4.48Å; Y478-L482 HydrophobicContact CD1-CD1 4.07Å; Y478-L482 HydrophobicContact CE1-CD1 3.6Å; Y478-L482 WeakPolarHBondContact O-CG 3.11Å; L479-L482 CarbonylContact O-C 3.56Å; L479-L482 PolarHBondContact O-N 2.89Å; Y480-L482 PolarHBondContact O-N 3.17Å; L482-E484 PolarHBondContact O-N 3.17Å; L482-E485 PolarHBondContact O-N 3.02Å; L482-V566 HydrophobicContact CD2-CG2 3.86Å
483A77.4Confident76.5Confident5 Ų543.5 Ų43.54%0.04128%0.276CS..THydrogen-bonded Turntrans-56.4-51.6-163.700000114.5F436 L479 Y480F436-A483 HydrophobicContact CD1-CB 3.95Å; F436-A483 HydrophobicContact CD2-CB 3.72Å; F436-A483 HydrophobicContact CE1-CB 3.61Å; F436-A483 HydrophobicContact CE2-CB 3.38Å; F436-A483 HydrophobicContact CG-CB 4Å; F436-A483 HydrophobicContact CZ-CB 3.34Å; L479-A483 PolarHBondContact O-N 2.87Å; Y480-A483 PolarHBondContact O-N 2.97Å
484E73.3Confident75.7Confident80 Ų8050.1 Ų50.137%0.37431%0.307SS..THydrogen-bonded Turntrans-80.4-18.8-177.5-79.8-165133.400113.8L482 A486 S554 H555L482-E484 PolarHBondContact O-N 3.17Å; E484-A486 VanDerWaalsContact C-N 3.27Å; E484-A486 PolarHBondContact O-N 2.85Å; E484-S554 VanDerWaalsContact OE2-C 3.31Å; E484-H555 IonicContact OE1-CE1 3.61Å; E484-H555 PolarHBondContact OE1-CE1 3.44Å; E484-H555 IonicContact OE1-ND1 3.97Å; E484-H555 PolarHBondContact OE1-ND1 3.23Å; E484-H555 IonicContact OE1-NE2 2.91Å; E484-H555 WeakPolarHBondContact OE2-CA 3.16Å; E484-H555 IonicContact OE2-CE1 2.95Å; E484-H555 PolarHBondContact OE2-CE1 2.81Å; E484-H555 IonicContact OE2-CG 2.66Å; E484-H555 PolarHBondContact OE2-N 3.24Å; E484-H555 IonicContact OE2-ND1 3.63Å; E484-H555 PolarHBondContact OE2-ND1 2.89Å
485E69.4Low75.2Confident36 Ų3657.1 Ų57.117%0.16834%0.339CS..THydrogen-bonded Turntrans-75.8-22.1-178.6-56.1-171.8159.600112.9L482 R557 S565 V566 Y567L482-E485 PolarHBondContact O-N 3.02Å; E485-R557 VanDerWaalsContact CD-NH2 3.34Å; E485-R557 IonicContact OE1-CZ 3.4Å; E485-R557 IonicContact OE1-NE 2.73Å; E485-R557 PolarHBondContact OE1-NE 2.6Å; E485-R557 IonicContact OE1-NH2 3.53Å; E485-R557 PolarHBondContact OE1-NH2 2.76Å; E485-S565 VanDerWaalsContact OE1-CA 3.25Å; E485-S565 WeakPolarHBondContact OE1-CA 3.44Å; E485-S565 PolarHBondContact OE2-OG 3.12Å; E485-V566 PolarHBondContact OE1-N 3.14Å; E485-V566 WeakPolarHBondContact OE2-CG2 3.41Å; E485-V566 PolarHBondContact OE2-N 3.1Å; E485-Y567 VanDerWaalsContact OE2-CB 3.25Å; E485-Y567 WeakPolarHBondContact OE2-CB 3.39Å; E485-Y567 PolarHBondContact OE2-N 3.24Å
486A57.3Low74.9Confident28 Ų2860.8 Ų60.823%0.23136%0.357CS..THydrogen-bonded Turntrans-94.4-7.1-175.700000113.4L431 E484 Y567L431-A486 HydrophobicContact CB-CB 3.97Å; L431-A486 HydrophobicContact CD2-CB 4.34Å; E484-A486 VanDerWaalsContact C-N 3.27Å; E484-A486 PolarHBondContact O-N 2.85Å; A486-Y567 HydrophobicContact CB-CD1 4.03Å; A486-Y567 HydrophobicContact CB-CE1 3.87Å
487Q61.5Low74.6Confident83 Ų8362.6 Ų62.639%0.38837%0.366SS..  trans-127.6132.1-174.9-53.5-147.9-72.200113.1F436 S489F436-Q487 HydrophobicContact CB-CG 4.44Å; F436-Q487 VanDerWaalsContact N-NE2 3.15Å; Q487-S489 PolarHBondContact O-N 3.49Å
488D52Low74.3Confident164 Ų16466.7 Ų66.788%0.87739%0.385SS*.  trans-75.2119.2162.1-80.9-34000108.4A490D488-A490 PolarHBondContact O-N 3.45Å
489S49.2Very low74.2Confident126 Ų12672.3 Ų72.388%0.88141%0.41SS*.  trans-34.9103.3-179.156.60000113.8Q487Q487-S489 PolarHBondContact O-N 3.49Å
490A47Very low74.2Confident85 Ų8572.3 Ų72.370%0.70241%0.41SS*.  trans-116.3108.5169.500000109.1D488 G492D488-A490 PolarHBondContact O-N 3.45Å; A490-G492 PolarHBondContact O-N 3.08Å
491D50.5Low74.3Confident181 Ų18172.3 Ų72.397%0.96841%0.41SS*.THydrogen-bonded Turntrans-58.318.3-178.1-114.8-3.4000115.7
492G55.2Low74.5Confident74 Ų7479.6 Ų79.676%0.76344%0.437SS*.THydrogen-bonded Turntrans-118.3-2.1-172.500000116.2A490A490-G492 PolarHBondContact O-N 3.08Å
493G69.4Low74.9Confident28 Ų2883.7 Ų83.729%0.28946%0.456SS..SBendtrans-107-7.3-172.600000116.3E496 L497G493-E496 PolarHBondContact O-N 3.35Å; G493-L497 WeakPolarHBondContact O-CB 3.31Å; G493-L497 PolarHBondContact O-N 3.38Å
494E79.3Confident75.8Confident139 Ų13983.4 Ų83.465%0.6545%0.454SS*.Hα-helixtrans-65.4-43.7-171.2-166.3173.1-164.300112.4E496 L497 E498E494-E496 VanDerWaalsContact C-N 3.34Å; E494-E496 PolarHBondContact O-N 2.96Å; E494-L497 PolarHBondContact O-N 2.86Å; E494-E498 WeakPolarHBondContact O-CG 3.47Å; E494-E498 PolarHBondContact O-N 2.9Å
495E84.3Confident77Confident160 Ų16080.3 Ų80.375%0.74844%0.44SS*.Hα-helixtrans-64.6-37.1176.9-171.4-179.5-179.800112.3K499E495-K499 WeakPolarHBondContact O-CB 3.36Å; E495-K499 PolarHBondContact O-N 2.89Å; E495-K499 VanDerWaalsContact O-N 3.09Å
496E88.8Confident78.3Confident78 Ų7880.1 Ų80.136%0.36445%0.448SS..Hα-helixtrans-66.4-44.4174.6-175179.7172.200110.8P437 R441 G493 E494 K499 L500P437-E496 HydrophobicContact CB-CG 4.37Å; R441-E496 IonicContact CZ-OE1 3.47Å; R441-E496 IonicContact NH1-OE1 2.72Å; R441-E496 PolarHBondContact NH1-OE1 2.96Å; R441-E496 IonicContact NH2-OE1 2.84Å; R441-E496 PolarHBondContact NH2-OE1 3.27Å; G493-E496 PolarHBondContact O-N 3.35Å; E494-E496 VanDerWaalsContact C-N 3.34Å; E494-E496 PolarHBondContact O-N 2.96Å; E496-K499 PolarHBondContact O-N 3.43Å; E496-L500 WeakPolarHBondContact O-CB 3.48Å; E496-L500 PolarHBondContact O-N 2.89Å
497L89.4Confident80.1Confident38 Ų3879.7 Ų79.720%0.19944%0.444CS..Hα-helixtrans-59.6-49.7177.6-178.460.8000110.8F436 P437 L440 G493 E494 K499 L500 E501F436-L497 HydrophobicContact CD1-CD1 4.05Å; F436-L497 HydrophobicContact CE1-CD1 4.18Å; P437-L497 HydrophobicContact CG-CB 4.28Å; P437-L497 HydrophobicContact CG-CD1 4.37Å; L440-L497 HydrophobicContact CD1-CD1 3.52Å; G493-L497 WeakPolarHBondContact O-CB 3.31Å; G493-L497 PolarHBondContact O-N 3.38Å; E494-L497 PolarHBondContact O-N 2.86Å; L497-K499 VanDerWaalsContact C-N 3.28Å; L497-K499 PolarHBondContact O-N 2.99Å; L497-L500 PolarHBondContact O-N 3.5Å; L497-L500 VanDerWaalsContact O-N 3.14Å; L497-E501 HydrophobicContact CD1-CG 4.23Å; L497-E501 HydrophobicContact CG-CG 4.41Å; L497-E501 WeakPolarHBondContact O-CB 3.47Å; L497-E501 VanDerWaalsContact O-CG 3.3Å; L497-E501 WeakPolarHBondContact O-CG 3.34Å; L497-E501 PolarHBondContact O-N 2.88Å
498E91.3Very high81.8Confident86 Ų8675.8 Ų75.840%0.40243%0.426SS..Hα-helixtrans-60-36.7177.5-74.6-172.7166.500112.9E494 R502E494-E498 WeakPolarHBondContact O-CG 3.47Å; E494-E498 PolarHBondContact O-N 2.9Å; E498-R502 WeakPolarHBondContact O-CG 3.36Å; E498-R502 PolarHBondContact O-N 3.02Å; E498-R502 PolarHBondContact O-NE 3.34Å
499K93.5Very high83.9Confident123 Ų12368.1 Ų68.154%0.53539%0.385SS..Hα-helixtrans-67-47175-173.9-174.2171.8-171.40110.9E495 E496 L497 R502 E503E495-K499 WeakPolarHBondContact O-CB 3.36Å; E495-K499 PolarHBondContact O-N 2.89Å; E495-K499 VanDerWaalsContact O-N 3.09Å; E496-K499 PolarHBondContact O-N 3.43Å; L497-K499 VanDerWaalsContact C-N 3.28Å; L497-K499 PolarHBondContact O-N 2.99Å; K499-R502 WeakPolarHBondContact O-CB 3.42Å; K499-R502 PolarHBondContact O-N 3.5Å; K499-E503 PolarHBondContact O-N 2.9Å; K499-E503 VanDerWaalsContact O-N 3.16Å
500L94.7Very high86.1Confident1 Ų165.8 Ų65.81%0.00536%0.362CS..Hα-helixtrans-64.4-40.2179.417963.4000112P437 L440 R441 L444 E496 L497 R502 E503 L504P437-L500 HydrophobicContact CB-CD2 4.14Å; P437-L500 WeakPolarHBondContact O-CD2 3.1Å; L440-L500 HydrophobicContact CB-CD2 3.71Å; R441-L500 HydrophobicContact CB-CD1 4.1Å; R441-L500 HydrophobicContact CB-CD2 4.08Å; R441-L500 HydrophobicContact CG-CD1 4.26Å; L444-L500 HydrophobicContact CD1-CD1 3.78Å; E496-L500 WeakPolarHBondContact O-CB 3.48Å; E496-L500 PolarHBondContact O-N 2.89Å; L497-L500 PolarHBondContact O-N 3.5Å; L497-L500 VanDerWaalsContact O-N 3.14Å; L500-R502 VanDerWaalsContact C-N 3.31Å; L500-R502 PolarHBondContact O-N 3.41Å; L500-E503 WeakPolarHBondContact O-CA 3.28Å; L500-E503 WeakPolarHBondContact O-CB 3.45Å; L500-E503 PolarHBondContact O-N 3.46Å; L500-E503 VanDerWaalsContact O-N 3.1Å; L500-L504 HydrophobicContact CG-CD1 4.08Å; L500-L504 HydrophobicContact CG-CG 4.47Å; L500-L504 WeakPolarHBondContact O-CG 3.42Å; L500-L504 PolarHBondContact O-N 3.18Å
501E95.6Very high88.3Confident1 Ų162 Ų621%0.00533%0.331CS..Hα-helixtrans-60.7-41.3174.9-74.3178.4149.500111.4Y480 L497 E503 L504 I505 F547 R551Y480-E501 VanDerWaalsContact OH-CD 3.29Å; Y480-E501 VanDerWaalsContact OH-CG 3.26Å; Y480-E501 WeakPolarHBondContact OH-CG 3.45Å; Y480-E501 PolarHBondContact OH-OE1 2.83Å; L497-E501 HydrophobicContact CD1-CG 4.23Å; L497-E501 HydrophobicContact CG-CG 4.41Å; L497-E501 WeakPolarHBondContact O-CB 3.47Å; L497-E501 VanDerWaalsContact O-CG 3.3Å; L497-E501 WeakPolarHBondContact O-CG 3.34Å; L497-E501 PolarHBondContact O-N 2.88Å; E501-E503 VanDerWaalsContact C-N 3.29Å; E501-E503 PolarHBondContact O-N 3.27Å; E501-L504 PolarHBondContact O-N 2.71Å; E501-I505 WeakPolarHBondContact O-CB 3.17Å; E501-I505 WeakPolarHBondContact O-CD1 3.33Å; E501-I505 WeakPolarHBondContact O-CG1 3.39Å; E501-I505 PolarHBondContact O-N 3.03Å; E501-F547 HydrophobicContact CB-CD1 4Å; E501-F547 HydrophobicContact CB-CE1 4.22Å; E501-F547 HydrophobicContact CG-CD1 3.79Å; E501-F547 HydrophobicContact CG-CE1 3.93Å; E501-R551 IonicContact OE1-NE 3.4Å; E501-R551 PolarHBondContact OE1-NE 3.26Å; E501-R551 IonicContact OE2-CZ 3.5Å; E501-R551 IonicContact OE2-NE 3.04Å; E501-R551 PolarHBondContact OE2-NE 2.92Å; E501-R551 IonicContact OE2-NH2 3.66Å; E501-R551 PolarHBondContact OE2-NH2 3.35Å
502R96.6Very high90.3Very high156 Ų15653.5 Ų53.559%0.58929%0.285SS*.Hα-helixtrans-60.2-38.9173-76.1-179.5-74.4-174.4-4.4112.4E498 K499 L500 G506E498-R502 WeakPolarHBondContact O-CG 3.36Å; E498-R502 PolarHBondContact O-N 3.02Å; E498-R502 PolarHBondContact O-NE 3.34Å; K499-R502 WeakPolarHBondContact O-CB 3.42Å; K499-R502 PolarHBondContact O-N 3.5Å; L500-R502 VanDerWaalsContact C-N 3.31Å; L500-R502 PolarHBondContact O-N 3.41Å; R502-G506 PolarHBondContact O-N 2.71Å; R502-G506 VanDerWaalsContact O-N 3.08Å
503E97Very high92.2Very high85 Ų8551.8 Ų51.840%0.39726%0.26SS..Hα-helixtrans-65.3-45.7174.7-67.4175.2-163.200111.5L444 K499 L500 E501 G506 A507L444-E503 HydrophobicContact CD2-CB 4.43Å; K499-E503 PolarHBondContact O-N 2.9Å; K499-E503 VanDerWaalsContact O-N 3.16Å; L500-E503 WeakPolarHBondContact O-CA 3.28Å; L500-E503 WeakPolarHBondContact O-CB 3.45Å; L500-E503 PolarHBondContact O-N 3.46Å; L500-E503 VanDerWaalsContact O-N 3.1Å; E501-E503 VanDerWaalsContact C-N 3.29Å; E501-E503 PolarHBondContact O-N 3.27Å; E503-G506 PolarHBondContact O-N 3.39Å; E503-A507 WeakPolarHBondContact O-CB 3.35Å; E503-A507 PolarHBondContact O-N 3.05Å
504L96.9Very high93.2Very high0 Ų058.6 Ų58.60%028%0.277CS..Hα-helixtrans-63.6-42.9177-72.5165.1000112.2L440 L443 L444 M447 L500 E501 G506 A507 L508 F547L440-L504 HydrophobicContact CB-CD1 4.3Å; L440-L504 HydrophobicContact CD2-CD1 4.47Å; L443-L504 HydrophobicContact CB-CD2 4.21Å; L444-L504 HydrophobicContact CD2-CD2 3.68Å; L444-L504 HydrophobicContact CD2-CG 4.12Å; L444-L504 HydrophobicContact CG-CD2 3.77Å; L444-L504 HydrophobicContact CG-CG 4.37Å; M447-L504 HydrophobicContact CE-CD2 3.86Å; M447-L504 HydrophobicContact SD-CB 4.5Å; M447-L504 HydrophobicContact SD-CD2 3.67Å; L500-L504 HydrophobicContact CG-CD1 4.08Å; L500-L504 HydrophobicContact CG-CG 4.47Å; L500-L504 WeakPolarHBondContact O-CG 3.42Å; L500-L504 PolarHBondContact O-N 3.18Å; E501-L504 PolarHBondContact O-N 2.71Å; L504-G506 VanDerWaalsContact C-N 3.31Å; L504-G506 PolarHBondContact O-N 3.23Å; L504-A507 PolarHBondContact O-N 3.12Å; L504-L508 WeakPolarHBondContact O-CB 3.41Å; L504-L508 PolarHBondContact O-N 2.77Å; L504-F547 HydrophobicContact CB-CE1 4.22Å; L504-F547 HydrophobicContact CB-CE2 4.47Å; L504-F547 HydrophobicContact CB-CZ 3.67Å; L504-F547 HydrophobicContact CD1-CE1 4.2Å; L504-F547 HydrophobicContact CD1-CZ 4.24Å
505I97.9Very high93.7Very high15 Ų1553.4 Ų53.48%0.07725%0.253CS..Hα-helixtrans-57.9-47.9174.8-69.8162.5000109.3E501 T509 H540 V543 F547E501-I505 WeakPolarHBondContact O-CB 3.17Å; E501-I505 WeakPolarHBondContact O-CD1 3.33Å; E501-I505 WeakPolarHBondContact O-CG1 3.39Å; E501-I505 PolarHBondContact O-N 3.03Å; I505-T509 VanDerWaalsContact O-CB 3.25Å; I505-T509 WeakPolarHBondContact O-CB 3.41Å; I505-T509 PolarHBondContact O-N 3.44Å; I505-T509 PolarHBondContact O-OG1 2.85Å; I505-H540 VanDerWaalsContact CG2-CE1 3.42Å; I505-H540 WeakPolarHBondContact CG2-CE1 3.13Å; I505-V543 HydrophobicContact CB-CG1 4.17Å; I505-V543 HydrophobicContact CG1-CG1 4.16Å; I505-V543 HydrophobicContact CG2-CB 4.37Å; I505-V543 HydrophobicContact CG2-CG1 3.94Å; I505-F547 HydrophobicContact CD1-CB 4.02Å; I505-F547 HydrophobicContact CD1-CD2 4.15Å; I505-F547 HydrophobicContact CD1-CG 4.02Å; I505-F547 HydrophobicContact CG1-CB 4.22Å; I505-F547 HydrophobicContact CG1-CD1 4.42Å; I505-F547 HydrophobicContact CG1-CD2 3.39Å; I505-F547 HydrophobicContact CG1-CE2 3.78Å; I505-F547 HydrophobicContact CG1-CG 3.76Å; I505-F547 HydrophobicContact CG1-CZ 4.44Å
506G96.8Very high94Very high32 Ų3251.5 Ų51.533%0.3325%0.252SS..Hα-helixtrans-60.5-45.6177.100000112.9R502 E503 L504 T509 L510R502-G506 PolarHBondContact O-N 2.71Å; R502-G506 VanDerWaalsContact O-N 3.08Å; E503-G506 PolarHBondContact O-N 3.39Å; L504-G506 VanDerWaalsContact C-N 3.31Å; L504-G506 PolarHBondContact O-N 3.23Å; G506-T509 WeakPolarHBondContact O-CB 3.44Å; G506-T509 PolarHBondContact O-N 3.43Å; G506-L510 PolarHBondContact O-N 3.01Å; G506-L510 VanDerWaalsContact O-N 3.08Å
507A96.1Very high94Very high19 Ų1955.3 Ų55.316%0.15727%0.27CS..Hα-helixtrans-64.2-48.3179.300000112.1L444 M447 E503 L504 T509 L510 V511L444-A507 HydrophobicContact CD2-CB 4Å; M447-A507 HydrophobicContact CB-CB 3.79Å; M447-A507 HydrophobicContact SD-CB 4Å; E503-A507 WeakPolarHBondContact O-CB 3.35Å; E503-A507 PolarHBondContact O-N 3.05Å; L504-A507 PolarHBondContact O-N 3.12Å; A507-T509 PolarHBondContact O-N 3.48Å; A507-L510 WeakPolarHBondContact O-CB 3.42Å; A507-L510 PolarHBondContact O-N 3.37Å; A507-L510 VanDerWaalsContact O-N 3.15Å; A507-V511 WeakPolarHBondContact O-CG2 3.44Å; A507-V511 PolarHBondContact O-N 2.79Å
508L96.2Very high94.1Very high0 Ų054.1 Ų54.10%026%0.263CS..Hα-helixtrans-67.1-37.1178.7-174.659.6000111.9M447 L472 I473 L476 L504 L510 V511 V512 V543 M546M447-L508 HydrophobicContact CE-CB 4.36Å; M447-L508 HydrophobicContact SD-CB 4.09Å; L472-L508 HydrophobicContact CB-CD1 4.3Å; L472-L508 HydrophobicContact CD1-CD1 4.29Å; I473-L508 HydrophobicContact CG1-CD2 4.17Å; L476-L508 HydrophobicContact CD1-CD2 4.07Å; L504-L508 WeakPolarHBondContact O-CB 3.41Å; L504-L508 PolarHBondContact O-N 2.77Å; L508-L510 VanDerWaalsContact C-N 3.26Å; L508-L510 PolarHBondContact O-N 3.15Å; L508-V511 PolarHBondContact O-N 3.48Å; L508-V512 HydrophobicContact CD1-CG2 4.15Å; L508-V512 HydrophobicContact CG-CG2 4.3Å; L508-V512 WeakPolarHBondContact O-CB 3.31Å; L508-V512 VanDerWaalsContact O-CG2 3.29Å; L508-V512 WeakPolarHBondContact O-CG2 3.4Å; L508-V512 PolarHBondContact O-N 3.48Å; L508-V543 HydrophobicContact CB-CG1 4.21Å; L508-V543 HydrophobicContact CD2-CG1 3.97Å; L508-V543 HydrophobicContact CD2-CG2 4.36Å; L508-V543 HydrophobicContact CG-CG1 4.32Å; L508-V543 HydrophobicContact CG-CG2 4.3Å; L508-M546 HydrophobicContact CD2-CE 3.62Å
509T96.6Very high94.1Very high4 Ų451.2 Ų51.23%0.02525%0.252CS..Hα-helixtrans-55.3-45.2171.2-60.70000110.7I505 G506 A507 V512 T513 T536 A539 H540I505-T509 VanDerWaalsContact O-CB 3.25Å; I505-T509 WeakPolarHBondContact O-CB 3.41Å; I505-T509 PolarHBondContact O-N 3.44Å; I505-T509 PolarHBondContact O-OG1 2.85Å; G506-T509 WeakPolarHBondContact O-CB 3.44Å; G506-T509 PolarHBondContact O-N 3.43Å; A507-T509 PolarHBondContact O-N 3.48Å; T509-V512 PolarHBondContact O-N 2.9Å; T509-T513 HydrophobicContact CG2-CG2 4.37Å; T509-T513 WeakPolarHBondContact O-CB 3.22Å; T509-T513 VanDerWaalsContact O-CG2 3.24Å; T509-T513 WeakPolarHBondContact O-CG2 3.49Å; T509-T513 PolarHBondContact O-N 3.46Å; T509-T513 PolarHBondContact O-OG1 2.76Å; T509-T536 HydrophobicContact CG2-CG2 3.91Å; T509-A539 HydrophobicContact CG2-CB 4.02Å; T509-H540 HydrophobicContact CG2-CB 3.88Å; T509-H540 WeakPolarHBondContact OG1-CA 3.46Å; T509-H540 PolarHBondContact OG1-ND1 3.24Å
510L94.6Very high94Very high76 Ų7650.3 Ų50.340%0.39826%0.259SS..Hα-helixtrans-65.7-43.6179.2-177.865.5000111.6P449 G506 A507 L508 T513 R514P449-L510 HydrophobicContact CG-CD2 3.88Å; P449-L510 HydrophobicContact CG-CG 3.79Å; G506-L510 PolarHBondContact O-N 3.01Å; G506-L510 VanDerWaalsContact O-N 3.08Å; A507-L510 WeakPolarHBondContact O-CB 3.42Å; A507-L510 PolarHBondContact O-N 3.37Å; A507-L510 VanDerWaalsContact O-N 3.15Å; L508-L510 VanDerWaalsContact C-N 3.26Å; L508-L510 PolarHBondContact O-N 3.15Å; L510-T513 WeakPolarHBondContact CA-OG1 3.49Å; L510-T513 PolarHBondContact O-OG1 3.08Å; L510-T513 VanDerWaalsContact O-OG1 3.13Å; L510-R514 HydrophobicContact CD1-CG 4.22Å; L510-R514 WeakPolarHBondContact O-CB 3.42Å; L510-R514 WeakPolarHBondContact O-CG 3.43Å; L510-R514 PolarHBondContact O-N 3.25Å
511V93.3Very high93.8Very high7 Ų750.9 Ų50.94%0.04226%0.262CS..Hα-helixtrans-58-52.2175.6173.70000110.4M447 P469 A507 L508 T513 R514 E515M447-V511 VanDerWaalsContact C-CG2 3.44Å; M447-V511 HydrophobicContact CB-CG2 4.21Å; P469-V511 HydrophobicContact CB-CG1 4.15Å; P469-V511 HydrophobicContact CG-CG1 4.5Å; A507-V511 WeakPolarHBondContact O-CG2 3.44Å; A507-V511 PolarHBondContact O-N 2.79Å; L508-V511 PolarHBondContact O-N 3.48Å; V511-T513 PolarHBondContact O-N 2.91Å; V511-R514 PolarHBondContact O-N 2.63Å; V511-R514 VanDerWaalsContact O-N 3.1Å; V511-E515 PolarHBondContact O-N 3.43Å
512V93.6Very high93.8Very high2 Ų251 Ų511%0.01226%0.263CS..Hα-helixtrans-62.6-40.5-176.2168.30000112.1P469 L508 T509 R514 E515 L522 L534 A539P469-V512 HydrophobicContact CB-CG2 3.91Å; L508-V512 HydrophobicContact CD1-CG2 4.15Å; L508-V512 HydrophobicContact CG-CG2 4.3Å; L508-V512 WeakPolarHBondContact O-CB 3.31Å; L508-V512 VanDerWaalsContact O-CG2 3.29Å; L508-V512 WeakPolarHBondContact O-CG2 3.4Å; L508-V512 PolarHBondContact O-N 3.48Å; T509-V512 PolarHBondContact O-N 2.9Å; V512-R514 PolarHBondContact O-N 3.27Å; V512-E515 PolarHBondContact O-N 2.98Å; V512-L522 HydrophobicContact CG1-CD1 4.27Å; V512-L522 HydrophobicContact CG1-CD2 4.07Å; V512-L522 HydrophobicContact CG2-CD1 4.37Å; V512-L522 HydrophobicContact CG2-CD2 3.78Å; V512-L534 HydrophobicContact CG1-CD2 3.79Å; V512-A539 HydrophobicContact CG1-CB 4.41Å
513T93.5Very high93.7Very high38 Ų3847.3 Ų47.323%0.23325%0.252CS..THydrogen-bonded Turntrans-73.9-7.8178.652.50000114.5T509 L510 V511 A539T509-T513 HydrophobicContact CG2-CG2 4.37Å; T509-T513 WeakPolarHBondContact O-CB 3.22Å; T509-T513 VanDerWaalsContact O-CG2 3.24Å; T509-T513 WeakPolarHBondContact O-CG2 3.49Å; T509-T513 PolarHBondContact O-N 3.46Å; T509-T513 PolarHBondContact O-OG1 2.76Å; L510-T513 WeakPolarHBondContact CA-OG1 3.49Å; L510-T513 PolarHBondContact O-OG1 3.08Å; L510-T513 VanDerWaalsContact O-OG1 3.13Å; V511-T513 PolarHBondContact O-N 2.91Å; T513-A539 HydrophobicContact CG2-CB 3.52Å
514R91.9Very high93.4Very high170 Ų17045.6 Ų45.664%0.64225%0.25SC*.THydrogen-bonded Turntrans-103.6-5.5178.8-67.5-70.2-174.6178.32.5112.9P449 L510 V511 V512P449-R514 HydrophobicContact CB-CB 4.04Å; P449-R514 HydrophobicContact CB-CG 4.04Å; P449-R514 HydrophobicContact CG-CG 4.19Å; L510-R514 HydrophobicContact CD1-CG 4.22Å; L510-R514 WeakPolarHBondContact O-CB 3.42Å; L510-R514 WeakPolarHBondContact O-CG 3.43Å; L510-R514 PolarHBondContact O-N 3.25Å; V511-R514 PolarHBondContact O-N 2.63Å; V511-R514 VanDerWaalsContact O-N 3.1Å; V512-R514 PolarHBondContact O-N 3.27Å
515E90.1Very high93.2Very high31 Ų3146.7 Ų46.715%0.14526%0.256CS..  trans-65.6135173.5-68-61133.500110.3R450 P469 V511 V512 L518 L522 A531R450-E515 IonicContact NH1-OE2 3.55Å; P469-E515 HydrophobicContact CG-CG 3.96Å; V511-E515 PolarHBondContact O-N 3.43Å; V512-E515 PolarHBondContact O-N 2.98Å; E515-L518 HydrophobicContact CB-CD2 4.46Å; E515-L522 HydrophobicContact CG-CD1 4.33Å; E515-A531 WeakPolarHBondContact O-CB 3.36Å
516T88.9Confident93Very high119 Ų11946.7 Ų46.773%0.7326%0.256SS*.SBendtrans-80.1-24.6176.153.80000112.1
517E90.1Very high92.8Very high158 Ų15848.1 Ų48.174%0.73827%0.271SS*.SBendtrans-135.2128.6177.7-66-178.5178.100108.2
518L91.6Very high92.6Very high13 Ų1347.3 Ų47.37%0.06826%0.264CS..  trans-82.2127.3177.1-60.6-178.2000109.5E515 L522 Q523 C528 A531 L534E515-L518 HydrophobicContact CB-CD2 4.46Å; L518-L522 HydrophobicContact CB-CB 4.28Å; L518-L522 HydrophobicContact CD2-CB 4.32Å; L518-L522 HydrophobicContact CD2-CD1 4.29Å; L518-Q523 HydrophobicContact CB-CG 3.64Å; L518-Q523 HydrophobicContact CD1-CG 4.46Å; L518-Q523 PolarHBondContact O-NE2 2.85Å; L518-C528 HydrophobicContact CD1-CB 3.92Å; L518-A531 HydrophobicContact CD2-CB 4.39Å; L518-A531 HydrophobicContact CG-CB 4.17Å; L518-L534 HydrophobicContact CD1-CB 4.45Å; L518-L534 HydrophobicContact CD1-CD2 4.36Å; L518-L534 HydrophobicContact CD2-CD2 3.86Å
519S91Very high92.3Very high25 Ų2550.7 Ų50.718%0.17529%0.292CS..  trans-61157.7168.8700000110.6D470 L521 L522 Q523D470-S519 VanDerWaalsContact CG-OG 3.23Å; D470-S519 PolarHBondContact OD1-OG 2.59Å; D470-S519 WeakPolarHBondContact OD2-CB 3.37Å; D470-S519 PolarHBondContact OD2-OG 3.03Å; S519-L521 PolarHBondContact O-N 3.4Å; S519-L521 VanDerWaalsContact O-N 3.15Å; S519-L522 PolarHBondContact O-N 2.9Å; S519-L522 WeakPolarHBondContact OG-CG 3.36Å; S519-L522 PolarHBondContact OG-N 3.41Å; S519-L522 VanDerWaalsContact OG-N 3.12Å; S519-Q523 WeakPolarHBondContact O-CG 3.48Å; S519-Q523 PolarHBondContact O-N 2.89Å
520P90.3Very high92.1Very high105 Ų10552 Ų5268%0.68230%0.303SS*.Hα-helixtrans-52.5-36.2173.7-27.735.7000113S524P520-S524 VanDerWaalsContact O-CB 3.29Å; P520-S524 WeakPolarHBondContact O-CB 3.49Å; P520-S524 PolarHBondContact O-N 3.42Å
521L91.7Very high91.9Very high13 Ų1349.4 Ų49.47%0.06829%0.293CS..Hα-helixtrans-63.4-49.7175.2174.555.6000111.6D470 I473 S519 Q523 S524 L525 P675D470-L521 HydrophobicContact CB-CD2 4.19Å; I473-L521 HydrophobicContact CD1-CD2 4.22Å; S519-L521 PolarHBondContact O-N 3.4Å; S519-L521 VanDerWaalsContact O-N 3.15Å; L521-Q523 VanDerWaalsContact C-N 3.34Å; L521-Q523 PolarHBondContact O-N 3.45Å; L521-S524 PolarHBondContact O-N 3.4Å; L521-L525 VanDerWaalsContact O-CB 3.32Å; L521-L525 WeakPolarHBondContact O-CB 3.37Å; L521-L525 PolarHBondContact O-N 2.96Å; L521-P675 HydrophobicContact CD1-CB 3.46Å; L521-P675 VanDerWaalsContact CD1-CB 3.46Å; L521-P675 HydrophobicContact CD2-CB 3.67Å; L521-P675 HydrophobicContact CD2-CG 4Å; L521-P675 HydrophobicContact CG-CB 4.22Å
522L94Very high91.8Very high2 Ų256.9 Ų56.91%0.0133%0.328CS..Hα-helixtrans-65.7-36.7179.4-68.2-178.3000112.5P469 I473 V512 E515 L518 S519 S524 L525 T526P469-L522 HydrophobicContact CB-CD1 4.04Å; P469-L522 HydrophobicContact CB-CD2 4.34Å; P469-L522 HydrophobicContact CG-CD1 3.68Å; I473-L522 HydrophobicContact CD1-CD2 4.15Å; V512-L522 HydrophobicContact CG1-CD1 4.27Å; V512-L522 HydrophobicContact CG1-CD2 4.07Å; V512-L522 HydrophobicContact CG2-CD1 4.37Å; V512-L522 HydrophobicContact CG2-CD2 3.78Å; E515-L522 HydrophobicContact CG-CD1 4.33Å; L518-L522 HydrophobicContact CB-CB 4.28Å; L518-L522 HydrophobicContact CD2-CB 4.32Å; L518-L522 HydrophobicContact CD2-CD1 4.29Å; S519-L522 PolarHBondContact O-N 2.9Å; S519-L522 WeakPolarHBondContact OG-CG 3.36Å; S519-L522 PolarHBondContact OG-N 3.41Å; S519-L522 VanDerWaalsContact OG-N 3.12Å; L522-S524 VanDerWaalsContact C-N 3.32Å; L522-L525 PolarHBondContact O-N 3.08Å; L522-T526 WeakPolarHBondContact O-CB 3.35Å; L522-T526 VanDerWaalsContact O-CG2 3.31Å; L522-T526 WeakPolarHBondContact O-CG2 3.19Å; L522-T526 PolarHBondContact O-N 3.2Å; L522-T526 PolarHBondContact O-OG1 2.77Å
523Q94.6Very high91.7Very high79 Ų7961.8 Ų61.837%0.36935%0.35SS..Hα-helixtrans-59.5-46.7172.9-66.5173.719.200110.5L518 S519 L521 G527 C528L518-Q523 HydrophobicContact CB-CG 3.64Å; L518-Q523 HydrophobicContact CD1-CG 4.46Å; L518-Q523 PolarHBondContact O-NE2 2.85Å; S519-Q523 WeakPolarHBondContact O-CG 3.48Å; S519-Q523 PolarHBondContact O-N 2.89Å; L521-Q523 VanDerWaalsContact C-N 3.34Å; L521-Q523 PolarHBondContact O-N 3.45Å; Q523-G527 VanDerWaalsContact O-CA 3.29Å; Q523-G527 WeakPolarHBondContact O-CA 3.44Å; Q523-G527 PolarHBondContact O-N 2.94Å; Q523-C528 VanDerWaalsContact CA-O 3.28Å; Q523-C528 WeakPolarHBondContact CA-O 3.28Å; Q523-C528 WeakPolarHBondContact CB-O 3.35Å; Q523-C528 WeakPolarHBondContact CG-O 3.48Å
524S91.3Very high91.8Very high49 Ų4961 Ų6134%0.34334%0.344SS..Hα-helixtrans-67.4-37.5179.4-161.80000113P520 L521 L522 S680P520-S524 VanDerWaalsContact O-CB 3.29Å; P520-S524 WeakPolarHBondContact O-CB 3.49Å; P520-S524 PolarHBondContact O-N 3.42Å; L521-S524 PolarHBondContact O-N 3.4Å; L522-S524 VanDerWaalsContact C-N 3.32Å; S524-S680 PolarHBondContact O-OG 3.39Å; S524-S680 WeakPolarHBondContact OG-CB 3.48Å; S524-S680 PolarHBondContact OG-OG 3.34Å
525L93Very high91.9Very high24 Ų2456.3 Ų56.313%0.12634%0.335CS..Hα-helixtrans-72.2-39.9179.6-177.764.9000112I473 L521 L522 A542 M546 F679 S680I473-L525 HydrophobicContact CD1-CD2 4.1Å; L521-L525 VanDerWaalsContact O-CB 3.32Å; L521-L525 WeakPolarHBondContact O-CB 3.37Å; L521-L525 PolarHBondContact O-N 2.96Å; L522-L525 PolarHBondContact O-N 3.08Å; L525-A542 HydrophobicContact CG-CB 4.23Å; L525-M546 HydrophobicContact CD2-SD 4.5Å; L525-F679 HydrophobicContact CD1-CB 3.56Å; L525-F679 HydrophobicContact CD1-CD2 4.33Å; L525-F679 HydrophobicContact CD1-CG 4.13Å; L525-S680 PolarHBondContact N-OG 2.87Å
526T93.4Very high92.2Very high14 Ų1459.1 Ų59.19%0.08635%0.354CS..Hα-helixtrans-95.2-21.3-173.864.30000113.7L522 C528 L534 R538 A542L522-T526 WeakPolarHBondContact O-CB 3.35Å; L522-T526 VanDerWaalsContact O-CG2 3.31Å; L522-T526 WeakPolarHBondContact O-CG2 3.19Å; L522-T526 PolarHBondContact O-N 3.2Å; L522-T526 PolarHBondContact O-OG1 2.77Å; T526-C528 VanDerWaalsContact C-N 3.29Å; T526-C528 PolarHBondContact OG1-N 2.74Å; T526-L534 HydrophobicContact CG2-CD1 3.68Å; T526-L534 HydrophobicContact CG2-CD2 4.44Å; T526-R538 WeakPolarHBondContact O-CD 3.49Å; T526-A542 HydrophobicContact CG2-CB 4.34Å
527G92.3Very high92.6Very high62 Ų6261.2 Ų61.264%0.63936%0.356SS*.  trans72.717.1-172.400000114.1Q523Q523-G527 VanDerWaalsContact O-CA 3.29Å; Q523-G527 WeakPolarHBondContact O-CA 3.44Å; Q523-G527 PolarHBondContact O-N 2.94Å
528C92.8Very high92.9Very high2 Ų259.2 Ų59.21%0.01434%0.341CS..  trans-102.2137175.5-68.40000110.8L518 Q523 T526 E533 L534 R538L518-C528 HydrophobicContact CD1-CB 3.92Å; Q523-C528 VanDerWaalsContact CA-O 3.28Å; Q523-C528 WeakPolarHBondContact CA-O 3.28Å; Q523-C528 WeakPolarHBondContact CB-O 3.35Å; Q523-C528 WeakPolarHBondContact CG-O 3.48Å; T526-C528 VanDerWaalsContact C-N 3.29Å; T526-C528 PolarHBondContact OG1-N 2.74Å; C528-E533 HydrophobicContact CB-CB 4.16Å; C528-L534 HydrophobicContact CB-CB 4.41Å; C528-R538 WeakPolarHBondContact SG-CD 3.29Å; C528-R538 PolarHBondContact SG-NH1 3.47Å
529A90.3Very high93.1Very high71 Ų7158.6 Ų58.659%0.58734%0.338SS*.SBendtrans-82-28.8176.900000112.1E533A529-E533 PolarHBondContact N-OE2 3.34Å
530A91.1Very high93.5Very high31 Ų3161.8 Ų61.826%0.25635%0.35SS..SBendtrans-135.9156.8-17700000111.8E532 E533A530-E532 VanDerWaalsContact CB-OE2 3.28Å; A530-E532 WeakPolarHBondContact CB-OE2 3.43Å; A530-E532 PolarHBondContact O-N 3.27Å; A530-E533 HydrophobicContact CB-CG 4.49Å; A530-E533 PolarHBondContact O-N 3.04Å
531A91Very high93.8Very high23 Ų2359.6 Ų59.619%0.1934%0.338CS..G310 helixtrans-63.4-31.8-17700000112.2E515 L518 E533 L534E515-A531 WeakPolarHBondContact O-CB 3.36Å; L518-A531 HydrophobicContact CD2-CB 4.39Å; L518-A531 HydrophobicContact CG-CB 4.17Å; A531-E533 PolarHBondContact O-N 2.95Å; A531-L534 WeakPolarHBondContact O-CB 3.49Å; A531-L534 PolarHBondContact O-N 3.27Å; A531-L534 VanDerWaalsContact O-N 3.14Å
532E90.9Very high94Very high164 Ų16459.5 Ų59.577%0.76634%0.339SS*.G310 helixtrans-67.2-24.1179.6-58.582.8176.400113A530 L534A530-E532 VanDerWaalsContact CB-OE2 3.28Å; A530-E532 WeakPolarHBondContact CB-OE2 3.43Å; A530-E532 PolarHBondContact O-N 3.27Å; E532-L534 VanDerWaalsContact C-N 3.33Å
533E92.5Very high94.2Very high105 Ų10559.5 Ų59.549%0.49134%0.339SS..G310 helixtrans-81.8-16.2177.3-60178.8169.300112.4C528 A529 A530 A531 T535C528-E533 HydrophobicContact CB-CB 4.16Å; A529-E533 PolarHBondContact N-OE2 3.34Å; A530-E533 HydrophobicContact CB-CG 4.49Å; A530-E533 PolarHBondContact O-N 3.04Å; A531-E533 PolarHBondContact O-N 2.95Å; E533-T535 PolarHBondContact O-N 2.88Å
534L94.8Very high94.3Very high20 Ų2056.6 Ų56.611%0.10533%0.33CS..  trans-84.1108.9-171.6-175.964.1000111.7V512 L518 T526 C528 A531 E532 R538 A539V512-L534 HydrophobicContact CG1-CD2 3.79Å; L518-L534 HydrophobicContact CD1-CB 4.45Å; L518-L534 HydrophobicContact CD1-CD2 4.36Å; L518-L534 HydrophobicContact CD2-CD2 3.86Å; T526-L534 HydrophobicContact CG2-CD1 3.68Å; T526-L534 HydrophobicContact CG2-CD2 4.44Å; C528-L534 HydrophobicContact CB-CB 4.41Å; A531-L534 WeakPolarHBondContact O-CB 3.49Å; A531-L534 PolarHBondContact O-N 3.27Å; A531-L534 VanDerWaalsContact O-N 3.14Å; E532-L534 VanDerWaalsContact C-N 3.33Å; L534-R538 HydrophobicContact CD1-CB 4.45Å; L534-R538 HydrophobicContact CD1-CG 4.4Å; L534-A539 HydrophobicContact CD1-CB 4.04Å; L534-A539 HydrophobicContact CD2-CB 4.4Å; L534-A539 HydrophobicContact CG-CB 4.28Å
535T95.3Very high94.5Very high73 Ų7360.3 Ų60.345%0.44834%0.34SS..  trans-85.8153.4172.9700000111.5E533 E537 R538 A539E533-T535 PolarHBondContact O-N 2.88Å; T535-E537 PolarHBondContact O-N 3.41Å; T535-R538 PolarHBondContact O-N 3.24Å; T535-R538 WeakPolarHBondContact OG1-CB 3.41Å; T535-R538 PolarHBondContact OG1-N 2.9Å; T535-A539 PolarHBondContact O-N 3.04Å
536T96.3Very high94.7Very high90 Ų9059.2 Ų59.255%0.55233%0.334SS*.Hα-helixtrans-56.7-39.4174-50.20000112.3T509 H540T509-T536 HydrophobicContact CG2-CG2 3.91Å; T536-H540 WeakPolarHBondContact O-CB 3.24Å; T536-H540 PolarHBondContact O-N 2.96Å
537E96.9Very high94.8Very high163 Ų16358.6 Ų58.676%0.76233%0.33SS*.Hα-helixtrans-62.8-44.5177.6-174.7-176.4174.100112T535 H540 S541T535-E537 PolarHBondContact O-N 3.41Å; E537-H540 PolarHBondContact O-N 2.96Å; E537-S541 WeakPolarHBondContact O-CB 3.25Å; E537-S541 PolarHBondContact O-N 2.85Å
538R96.3Very high94.8Very high115 Ų11561.9 Ų61.943%0.43433%0.329SS..Hα-helixtrans-66.2-46179.1-175.7176.3-70.2177.90.3111.3T526 C528 L534 T535 S541 A542T526-R538 WeakPolarHBondContact O-CD 3.49Å; C528-R538 WeakPolarHBondContact SG-CD 3.29Å; C528-R538 PolarHBondContact SG-NH1 3.47Å; L534-R538 HydrophobicContact CD1-CB 4.45Å; L534-R538 HydrophobicContact CD1-CG 4.4Å; T535-R538 PolarHBondContact O-N 3.24Å; T535-R538 WeakPolarHBondContact OG1-CB 3.41Å; T535-R538 PolarHBondContact OG1-N 2.9Å; R538-S541 PolarHBondContact O-N 2.86Å; R538-A542 WeakPolarHBondContact O-CB 3.42Å; R538-A542 PolarHBondContact O-N 3.09Å
539A96.5Very high94.9Very high0 Ų062.9 Ų62.90%034%0.335CS..Hα-helixtrans-59.3-46.4174.800000111.4T509 V512 T513 L534 T535 S541 A542 V543T509-A539 HydrophobicContact CG2-CB 4.02Å; V512-A539 HydrophobicContact CG1-CB 4.41Å; T513-A539 HydrophobicContact CG2-CB 3.52Å; L534-A539 HydrophobicContact CD1-CB 4.04Å; L534-A539 HydrophobicContact CD2-CB 4.4Å; L534-A539 HydrophobicContact CG-CB 4.28Å; T535-A539 PolarHBondContact O-N 3.04Å; A539-S541 PolarHBondContact O-N 2.75Å; A539-A542 PolarHBondContact O-N 3.45Å; A539-V543 VanDerWaalsContact O-CG2 3.31Å; A539-V543 WeakPolarHBondContact O-CG2 3.42Å; A539-V543 PolarHBondContact O-N 2.85Å
540H97.9Very high95.2Very high92 Ų9259.5 Ų59.543%0.42631%0.307SS..Hα-helixtrans-62.4-43.1179.3-166.176.8000112.2I505 T509 T536 E537 G544I505-H540 VanDerWaalsContact CG2-CE1 3.42Å; I505-H540 WeakPolarHBondContact CG2-CE1 3.13Å; T509-H540 HydrophobicContact CG2-CB 3.88Å; T509-H540 WeakPolarHBondContact OG1-CA 3.46Å; T509-H540 PolarHBondContact OG1-ND1 3.24Å; T536-H540 WeakPolarHBondContact O-CB 3.24Å; T536-H540 PolarHBondContact O-N 2.96Å; E537-H540 PolarHBondContact O-N 2.96Å; H540-G544 PolarHBondContact O-N 2.83Å
541S97.3Very high95.2Very high60 Ų6062.6 Ų62.642%0.4231%0.312SS..Hα-helixtrans-63.2-42.4175.9-176.20000112E537 R538 A539 G544 K545E537-S541 WeakPolarHBondContact O-CB 3.25Å; E537-S541 PolarHBondContact O-N 2.85Å; R538-S541 PolarHBondContact O-N 2.86Å; A539-S541 PolarHBondContact O-N 2.75Å; S541-G544 PolarHBondContact O-N 3.49Å; S541-K545 WeakPolarHBondContact O-CG 3.31Å; S541-K545 PolarHBondContact O-N 3.13Å; S541-K545 VanDerWaalsContact O-N 3.08Å
542A96.4Very high95.1Very high11 Ų1162.1 Ų62.19%0.09131%0.309CS..Hα-helixtrans-64.5-46.7178.300000111.8L525 T526 R538 A539 K545 M546L525-A542 HydrophobicContact CG-CB 4.23Å; T526-A542 HydrophobicContact CG2-CB 4.34Å; R538-A542 WeakPolarHBondContact O-CB 3.42Å; R538-A542 PolarHBondContact O-N 3.09Å; A539-A542 PolarHBondContact O-N 3.45Å; A542-K545 PolarHBondContact O-N 3.48Å; A542-M546 PolarHBondContact O-N 3.32Å
543V97.5Very high95.2Very high2 Ų254.4 Ų54.41%0.01227%0.273CS..Hα-helixtrans-65.9-37.3176.51770000111.4I505 L508 A539 M546 F547I505-V543 HydrophobicContact CB-CG1 4.17Å; I505-V543 HydrophobicContact CG1-CG1 4.16Å; I505-V543 HydrophobicContact CG2-CB 4.37Å; I505-V543 HydrophobicContact CG2-CG1 3.94Å; L508-V543 HydrophobicContact CB-CG1 4.21Å; L508-V543 HydrophobicContact CD2-CG1 3.97Å; L508-V543 HydrophobicContact CD2-CG2 4.36Å; L508-V543 HydrophobicContact CG-CG1 4.32Å; L508-V543 HydrophobicContact CG-CG2 4.3Å; A539-V543 VanDerWaalsContact O-CG2 3.31Å; A539-V543 WeakPolarHBondContact O-CG2 3.42Å; A539-V543 PolarHBondContact O-N 2.85Å; V543-M546 HydrophobicContact CG1-CE 4.16Å; V543-M546 VanDerWaalsContact O-CB 3.28Å; V543-M546 WeakPolarHBondContact O-CB 3.19Å; V543-M546 PolarHBondContact O-N 3.42Å; V543-F547 HydrophobicContact CG1-CD2 4.12Å; V543-F547 HydrophobicContact CG1-CE2 4.15Å; V543-F547 WeakPolarHBondContact O-CD2 3.4Å; V543-F547 PolarHBondContact O-N 3.01Å; V543-F547 VanDerWaalsContact O-N 3.08Å
544G96.9Very high95Very high18 Ų1849.9 Ų49.919%0.18625%0.253CS..Hα-helixtrans-59.8-49.3174.900000112.6H540 S541 M546 F547 E548H540-G544 PolarHBondContact O-N 2.83Å; S541-G544 PolarHBondContact O-N 3.49Å; G544-M546 VanDerWaalsContact C-N 3.25Å; G544-M546 PolarHBondContact O-N 3.24Å; G544-F547 PolarHBondContact O-N 3.47Å; G544-F547 VanDerWaalsContact O-N 3.12Å; G544-E548 PolarHBondContact O-N 3.11Å; G544-E548 VanDerWaalsContact O-N 3.11Å
545K94.8Very high94.7Very high126 Ų12653.2 Ų53.255%0.54827%0.268SS..Hα-helixtrans-61.6-33.9175-70174.4-176.21760112.9S541 A542 E548 T549S541-K545 WeakPolarHBondContact O-CG 3.31Å; S541-K545 PolarHBondContact O-N 3.13Å; S541-K545 VanDerWaalsContact O-N 3.08Å; A542-K545 PolarHBondContact O-N 3.48Å; K545-E548 PolarHBondContact O-N 2.85Å; K545-T549 PolarHBondContact O-N 3.4Å; K545-T549 VanDerWaalsContact O-N 3.11Å; K545-T549 PolarHBondContact O-OG1 2.97Å; K545-T549 VanDerWaalsContact O-OG1 3.05Å
546M96.7Very high94.4Very high2 Ų250.2 Ų50.21%0.0125%0.249CC..Hα-helixtrans-60.5-46.8173.8-173.1-1687100110.6I473 L476 L508 L525 A542 V543 G544 E548 T549 L550 F679I473-M546 HydrophobicContact CB-SD 4.46Å; I473-M546 HydrophobicContact CD1-SD 4.31Å; I473-M546 HydrophobicContact CG1-SD 3.86Å; I473-M546 HydrophobicContact CG2-SD 3.93Å; L476-M546 HydrophobicContact CD1-CE 3.82Å; L508-M546 HydrophobicContact CD2-CE 3.62Å; L525-M546 HydrophobicContact CD2-SD 4.5Å; A542-M546 PolarHBondContact O-N 3.32Å; V543-M546 HydrophobicContact CG1-CE 4.16Å; V543-M546 VanDerWaalsContact O-CB 3.28Å; V543-M546 WeakPolarHBondContact O-CB 3.19Å; V543-M546 PolarHBondContact O-N 3.42Å; G544-M546 VanDerWaalsContact C-N 3.25Å; G544-M546 PolarHBondContact O-N 3.24Å; M546-E548 PolarHBondContact O-N 2.82Å; M546-T549 WeakPolarHBondContact O-CB 3.28Å; M546-T549 PolarHBondContact O-N 2.8Å; M546-T549 VanDerWaalsContact O-N 3.14Å; M546-L550 HydrophobicContact CE-CD1 4.15Å; M546-L550 HydrophobicContact CG-CD1 4.43Å; M546-L550 WeakPolarHBondContact O-CG 3.37Å; M546-L550 PolarHBondContact O-N 3.24Å; M546-F679 HydrophobicContact CB-CD1 4.4Å; M546-F679 HydrophobicContact CB-CE1 4.35Å; M546-F679 HydrophobicContact CG-CD1 3.9Å; M546-F679 HydrophobicContact CG-CD2 3.97Å; M546-F679 HydrophobicContact CG-CE1 3.53Å; M546-F679 HydrophobicContact CG-CE2 3.6Å; M546-F679 HydrophobicContact CG-CG 4.12Å; M546-F679 HydrophobicContact CG-CZ 3.38Å; M546-F679 HydrophobicContact SD-CD2 4.47Å; M546-F679 HydrophobicContact SD-CE2 4.01Å; M546-F679 HydrophobicContact SD-CZ 4.25Å
547F96.1Very high94.3Very high1 Ų146.1 Ų46.10%0.00422%0.223CC..Hα-helixtrans-65.1-36.9177.4-90.4-96.6000113.4L476 Y480 E501 L504 I505 V543 G544 T549 L550 R551L476-F547 HydrophobicContact CD1-CE2 4.03Å; L476-F547 HydrophobicContact CD1-CZ 3.91Å; L476-F547 HydrophobicContact CD2-CE1 4.35Å; L476-F547 HydrophobicContact CD2-CZ 3.91Å; Y480-F547 HydrophobicContact CE2-CE1 4.21Å; Y480-F547 WeakPolarHBondContact OH-CE1 3.4Å; E501-F547 HydrophobicContact CB-CD1 4Å; E501-F547 HydrophobicContact CB-CE1 4.22Å; E501-F547 HydrophobicContact CG-CD1 3.79Å; E501-F547 HydrophobicContact CG-CE1 3.93Å; L504-F547 HydrophobicContact CB-CE1 4.22Å; L504-F547 HydrophobicContact CB-CE2 4.47Å; L504-F547 HydrophobicContact CB-CZ 3.67Å; L504-F547 HydrophobicContact CD1-CE1 4.2Å; L504-F547 HydrophobicContact CD1-CZ 4.24Å; I505-F547 HydrophobicContact CD1-CB 4.02Å; I505-F547 HydrophobicContact CD1-CD2 4.15Å; I505-F547 HydrophobicContact CD1-CG 4.02Å; I505-F547 HydrophobicContact CG1-CB 4.22Å; I505-F547 HydrophobicContact CG1-CD1 4.42Å; I505-F547 HydrophobicContact CG1-CD2 3.39Å; I505-F547 HydrophobicContact CG1-CE2 3.78Å; I505-F547 HydrophobicContact CG1-CG 3.76Å; I505-F547 HydrophobicContact CG1-CZ 4.44Å; V543-F547 HydrophobicContact CG1-CD2 4.12Å; V543-F547 HydrophobicContact CG1-CE2 4.15Å; V543-F547 WeakPolarHBondContact O-CD2 3.4Å; V543-F547 PolarHBondContact O-N 3.01Å; V543-F547 VanDerWaalsContact O-N 3.08Å; G544-F547 PolarHBondContact O-N 3.47Å; G544-F547 VanDerWaalsContact O-N 3.12Å; F547-T549 PolarHBondContact O-N 2.84Å; F547-L550 HydrophobicContact CD1-CD1 4.37Å; F547-L550 HydrophobicContact CD2-CD1 4.42Å; F547-L550 HydrophobicContact CG-CD1 4.33Å; F547-L550 PolarHBondContact O-N 2.99Å; F547-R551 WeakPolarHBondContact O-CG 3.42Å; F547-R551 PolarHBondContact O-N 3.5Å
548E92.9Very high93.9Very high130 Ų13042.1 Ų42.161%0.60721%0.207SC*.Hα-helixtrans-56.9-42.6171.1-67.8170.6179.900111.3G544 K545 M546G544-E548 PolarHBondContact O-N 3.11Å; G544-E548 VanDerWaalsContact O-N 3.11Å; K545-E548 PolarHBondContact O-N 2.85Å; M546-E548 PolarHBondContact O-N 2.82Å
549T94.8Very high93.6Very high23 Ų2339.4 Ų39.414%0.14120%0.2CC..Hα-helixtrans-67.3-43.6176.7-560000111.7L172 K545 M546 F547 R551 G552 L553 F679L172-T549 HydrophobicContact CD1-CG2 3.56Å; K545-T549 PolarHBondContact O-N 3.4Å; K545-T549 VanDerWaalsContact O-N 3.11Å; K545-T549 PolarHBondContact O-OG1 2.97Å; K545-T549 VanDerWaalsContact O-OG1 3.05Å; M546-T549 WeakPolarHBondContact O-CB 3.28Å; M546-T549 PolarHBondContact O-N 2.8Å; M546-T549 VanDerWaalsContact O-N 3.14Å; F547-T549 PolarHBondContact O-N 2.84Å; T549-R551 PolarHBondContact O-N 3.27Å; T549-G552 PolarHBondContact O-N 3.3Å; T549-G552 VanDerWaalsContact O-N 3.14Å; T549-L553 PolarHBondContact O-N 3Å; T549-F679 HydrophobicContact CG2-CD1 4.01Å; T549-F679 HydrophobicContact CG2-CE1 3.75Å
550L95.4Very high93.5Very high0 Ų039.6 Ų39.60%020%0.2CC..Hα-helixtrans-58.7-43.8179.6-72.9173.8000112.3L476 I477 Y480 M546 F547 G552 L553 F679L476-L550 HydrophobicContact CB-CD1 3.88Å; L476-L550 HydrophobicContact CD1-CD1 4.43Å; I477-L550 HydrophobicContact CB-CD2 4.31Å; I477-L550 HydrophobicContact CG1-CD2 3.72Å; Y480-L550 VanDerWaalsContact CD1-C 3.5Å; Y480-L550 HydrophobicContact CD1-CB 3.8Å; Y480-L550 WeakPolarHBondContact CD1-O 3.49Å; Y480-L550 HydrophobicContact CD2-CB 4Å; Y480-L550 HydrophobicContact CD2-CD1 4.1Å; Y480-L550 HydrophobicContact CD2-CD2 4.41Å; Y480-L550 HydrophobicContact CD2-CG 4.41Å; Y480-L550 HydrophobicContact CE1-CB 4.12Å; Y480-L550 HydrophobicContact CE2-CB 4.3Å; Y480-L550 HydrophobicContact CE2-CD1 4.16Å; Y480-L550 HydrophobicContact CG-CB 3.72Å; Y480-L550 HydrophobicContact CG-CD2 4.42Å; Y480-L550 HydrophobicContact CG-CG 4.48Å; M546-L550 HydrophobicContact CE-CD1 4.15Å; M546-L550 HydrophobicContact CG-CD1 4.43Å; M546-L550 WeakPolarHBondContact O-CG 3.37Å; M546-L550 PolarHBondContact O-N 3.24Å; F547-L550 HydrophobicContact CD1-CD1 4.37Å; F547-L550 HydrophobicContact CD2-CD1 4.42Å; F547-L550 HydrophobicContact CG-CD1 4.33Å; F547-L550 PolarHBondContact O-N 2.99Å; L550-G552 VanDerWaalsContact C-N 3.27Å; L550-G552 PolarHBondContact O-N 3.28Å; L550-L553 HydrophobicContact CD2-CD1 4.08Å; L550-L553 VanDerWaalsContact O-CB 3.32Å; L550-L553 WeakPolarHBondContact O-CB 3.47Å; L550-L553 PolarHBondContact O-N 3.45Å; L550-F679 HydrophobicContact CD2-CZ 4.15Å; L550-F679 HydrophobicContact CG-CZ 4.43Å
551R91.6Very high93.2Very high97 Ų9742.1 Ų42.137%0.36621%0.21SC..Hα-helixtrans-57.5-41.6175.5-68.1-179.3-161.7141.3-3.3112Y480 E501 F547 T549 L553 S554 H555Y480-R551 HydrophobicContact CE1-CG 4.17Å; E501-R551 IonicContact OE1-NE 3.4Å; E501-R551 PolarHBondContact OE1-NE 3.26Å; E501-R551 IonicContact OE2-CZ 3.5Å; E501-R551 IonicContact OE2-NE 3.04Å; E501-R551 PolarHBondContact OE2-NE 2.92Å; E501-R551 IonicContact OE2-NH2 3.66Å; E501-R551 PolarHBondContact OE2-NH2 3.35Å; F547-R551 WeakPolarHBondContact O-CG 3.42Å; F547-R551 PolarHBondContact O-N 3.5Å; T549-R551 PolarHBondContact O-N 3.27Å; R551-L553 PolarHBondContact O-N 3.01Å; R551-S554 PolarHBondContact O-N 3.01Å; R551-H555 PolarHBondContact O-CD2 2.97Å; R551-H555 VanDerWaalsContact O-CD2 3.27Å
552G90.1Very high93Very high12 Ų1243.7 Ų43.712%0.12421%0.211CC..Hα-helixtrans-63-24.5176.700000114.1T549 L550 M556T549-G552 PolarHBondContact O-N 3.3Å; T549-G552 VanDerWaalsContact O-N 3.14Å; L550-G552 VanDerWaalsContact C-N 3.27Å; L550-G552 PolarHBondContact O-N 3.28Å; G552-M556 WeakPolarHBondContact O-CG 3.38Å
553L91.9Very high92.9Very high2 Ų243.3 Ų43.31%0.0121%0.207CC..Hα-helixtrans-70.5-33.9179.3-62.8-179.5000112.8L172 L270 I477 T549 L550 R551 H555 M556 L678L172-L553 HydrophobicContact CD2-CD2 3.99Å; L270-L553 HydrophobicContact CD1-CD1 3.91Å; L270-L553 HydrophobicContact CD1-CD2 3.81Å; L270-L553 HydrophobicContact CD1-CG 4.42Å; I477-L553 HydrophobicContact CG2-CD1 4.25Å; T549-L553 PolarHBondContact O-N 3Å; L550-L553 HydrophobicContact CD2-CD1 4.08Å; L550-L553 VanDerWaalsContact O-CB 3.32Å; L550-L553 WeakPolarHBondContact O-CB 3.47Å; L550-L553 PolarHBondContact O-N 3.45Å; R551-L553 PolarHBondContact O-N 3.01Å; L553-H555 PolarHBondContact O-N 3.25Å; L553-M556 HydrophobicContact CD2-CG 4.44Å; L553-M556 WeakPolarHBondContact O-CB 3.3Å; L553-M556 WeakPolarHBondContact O-CG 3.39Å; L553-M556 PolarHBondContact O-N 3.32Å; L553-L678 HydrophobicContact CD1-CD1 4.06Å; L553-L678 HydrophobicContact CD2-CD2 3.98Å
554S87.8Confident92.6Very high10 Ų1049.4 Ų49.47%0.0723%0.23CC..Hα-helixtrans-58.8-38.3-178.1-48.40000111.9Y480 E484 R551 M556Y480-S554 WeakPolarHBondContact O-CA 3.27Å; Y480-S554 PolarHBondContact O-OG 3.22Å; Y480-S554 VanDerWaalsContact O-OG 3.11Å; E484-S554 VanDerWaalsContact OE2-C 3.31Å; R551-S554 PolarHBondContact O-N 3.01Å; S554-M556 PolarHBondContact O-N 2.97Å
555H88.3Confident92.4Very high91 Ų9150.5 Ų50.542%0.42124%0.235SC..G310 helixtrans-88.22-175.2-55.5-73000114.4E484 R551 L553 R557 D558E484-H555 IonicContact OE1-CE1 3.61Å; E484-H555 PolarHBondContact OE1-CE1 3.44Å; E484-H555 IonicContact OE1-ND1 3.97Å; E484-H555 PolarHBondContact OE1-ND1 3.23Å; E484-H555 IonicContact OE1-NE2 2.91Å; E484-H555 WeakPolarHBondContact OE2-CA 3.16Å; E484-H555 IonicContact OE2-CE1 2.95Å; E484-H555 PolarHBondContact OE2-CE1 2.81Å; E484-H555 IonicContact OE2-CG 2.66Å; E484-H555 PolarHBondContact OE2-N 3.24Å; E484-H555 IonicContact OE2-ND1 3.63Å; E484-H555 PolarHBondContact OE2-ND1 2.89Å; R551-H555 PolarHBondContact O-CD2 2.97Å; R551-H555 VanDerWaalsContact O-CD2 3.27Å; L553-H555 PolarHBondContact O-N 3.25Å; H555-R557 PolarHBondContact O-N 3.2Å; H555-R557 VanDerWaalsContact O-N 3.08Å; H555-D558 WeakPolarHBondContact CB-OD2 3.29Å; H555-D558 IonicContact CG-OD2 3.73Å; H555-D558 IonicContact ND1-OD2 3.95Å; H555-D558 PolarHBondContact ND1-OD2 3.14Å; H555-D558 WeakPolarHBondContact O-CB 3.31Å; H555-D558 PolarHBondContact O-N 2.59Å
556M90.4Very high92.3Very high9 Ų944.5 Ų44.54%0.04421%0.209CC..G310 helixtrans-62.9-24.1-170.1-73.8-58.7-56.200113.4P173 L192 T267 M268 G552 L553 S554 H559P173-M556 HydrophobicContact CG-SD 4.35Å; L192-M556 HydrophobicContact CD1-CE 4.12Å; L192-M556 HydrophobicContact CD1-SD 4.46Å; T267-M556 HydrophobicContact CG2-CE 4.48Å; M268-M556 HydrophobicContact CE-CB 4.23Å; M268-M556 HydrophobicContact CE-CE 4.06Å; M268-M556 WeakPolarHBondContact CE-O 3.33Å; G552-M556 WeakPolarHBondContact O-CG 3.38Å; L553-M556 HydrophobicContact CD2-CG 4.44Å; L553-M556 WeakPolarHBondContact O-CB 3.3Å; L553-M556 WeakPolarHBondContact O-CG 3.39Å; L553-M556 PolarHBondContact O-N 3.32Å; S554-M556 PolarHBondContact O-N 2.97Å; M556-H559 PolarHBondContact O-CE1 2.9Å; M556-H559 PolarHBondContact O-ND1 3.33Å
557R92.6Very high92.1Very high4 Ų445.1 Ų45.12%0.01521%0.211CC..G310 helixtrans-101.30.1-178.9-72.4-176.6-71.4-63.3-15.9114.7M268 T481 E485 H555 H559 L560 R564M268-R557 VanDerWaalsContact O-CD 3.27Å; M268-R557 WeakPolarHBondContact O-CD 3.44Å; M268-R557 PolarHBondContact O-NH1 2.98Å; M268-R557 HydrophobicContact SD-CG 4.35Å; T481-R557 PolarHBondContact O-NH2 3.42Å; E485-R557 VanDerWaalsContact CD-NH2 3.34Å; E485-R557 IonicContact OE1-CZ 3.4Å; E485-R557 IonicContact OE1-NE 2.73Å; E485-R557 PolarHBondContact OE1-NE 2.6Å; E485-R557 IonicContact OE1-NH2 3.53Å; E485-R557 PolarHBondContact OE1-NH2 2.76Å; H555-R557 PolarHBondContact O-N 3.2Å; H555-R557 VanDerWaalsContact O-N 3.08Å; R557-H559 PolarHBondContact O-N 3.11Å; R557-L560 HydrophobicContact CB-CD1 4.07Å; R557-L560 HydrophobicContact CG-CD1 3.84Å; R557-L560 WeakPolarHBondContact O-CB 3.43Å; R557-L560 PolarHBondContact O-N 3.21Å; R557-R564 WeakPolarHBondContact CB-O 3.4Å; R557-R564 WeakPolarHBondContact CD-O 2.95Å; R557-R564 PolarHBondContact NE-O 3.11Å
558D90.4Very high91.8Very high80 Ų8047.9 Ų47.943%0.42823%0.228SC..THydrogen-bonded Turntrans-56.3-31.5-176.1-74.4-3000114.4H555 R564H555-D558 WeakPolarHBondContact CB-OD2 3.29Å; H555-D558 IonicContact CG-OD2 3.73Å; H555-D558 IonicContact ND1-OD2 3.95Å; H555-D558 PolarHBondContact ND1-OD2 3.14Å; H555-D558 WeakPolarHBondContact O-CB 3.31Å; H555-D558 PolarHBondContact O-N 2.59Å; D558-R564 PolarHBondContact O-NH2 3.08Å
559H89.9Confident91.6Very high58 Ų5844.6 Ų44.627%0.26922%0.223SC..THydrogen-bonded Turntrans-76.4-21.3-179.870.8-79.7000113.7N193 M556 R557N193-H559 WeakPolarHBondContact ND2-CB 3.46Å; N193-H559 PolarHBondContact ND2-CD2 2.77Å; N193-H559 VanDerWaalsContact ND2-CD2 3.27Å; M556-H559 PolarHBondContact O-CE1 2.9Å; M556-H559 PolarHBondContact O-ND1 3.33Å; R557-H559 PolarHBondContact O-N 3.11Å
560L93.4Very high91.1Very high3 Ų345.9 Ų45.92%0.01623%0.233CC..  trans-70.2161.5175.7-55.8-179.5000109.3V231 M268 R557 L563 R564 F581 D599V231-L560 HydrophobicContact CG1-CD2 4.41Å; M268-L560 HydrophobicContact SD-CD1 4.01Å; R557-L560 HydrophobicContact CB-CD1 4.07Å; R557-L560 HydrophobicContact CG-CD1 3.84Å; R557-L560 WeakPolarHBondContact O-CB 3.43Å; R557-L560 PolarHBondContact O-N 3.21Å; L560-L563 HydrophobicContact CD1-CB 4.2Å; L560-L563 WeakPolarHBondContact CD1-O 3.21Å; L560-R564 HydrophobicContact CB-CG 4.22Å; L560-R564 VanDerWaalsContact O-CG 3.27Å; L560-R564 WeakPolarHBondContact O-CG 3.28Å; L560-R564 PolarHBondContact O-NE 3.43Å; L560-R564 PolarHBondContact O-NH2 3.06Å; L560-F581 HydrophobicContact CD1-CE2 3.87Å; L560-F581 HydrophobicContact CD1-CZ 3.9Å; L560-D599 HydrophobicContact CD2-CB 4.08Å
561K92.3Very high90.5Very high146 Ų14650.8 Ų50.864%0.63526%0.259SS*.SBendtrans-115.8-45-176.2-64.9-178.9-1781740112.1P598 D599K561-P598 HydrophobicContact CB-CG 4.06Å; K561-P598 HydrophobicContact CD-CB 4.2Å; K561-P598 HydrophobicContact CD-CG 3.87Å; K561-P598 HydrophobicContact CG-CG 4.48Å; K561-D599 WeakPolarHBondContact CB-OD1 3.36Å; K561-D599 PolarHBondContact N-OD1 3.27Å; K561-D599 PolarHBondContact N-OD2 3.14Å
562Q92.9Very high89.9Confident93 Ų9350 Ų5044%0.43528%0.281SS..SBendtrans-104.3-39.9-179.2-67.3175.2-2.700111.1R564 E596 C597 P598 D599Q562-R564 VanDerWaalsContact C-N 3.28Å; Q562-R564 PolarHBondContact O-N 3.45Å; Q562-E596 PolarHBondContact NE2-O 3Å; Q562-C597 PolarHBondContact OE1-SG 2.79Å; Q562-P598 VanDerWaalsContact CD-CD 3.48Å; Q562-P598 VanDerWaalsContact NE2-CD 3.31Å; Q562-D599 WeakPolarHBondContact CA-OD2 3.48Å; Q562-D599 PolarHBondContact N-OD2 3.28Å
563L93.3Very high89.7Confident3 Ų355.2 Ų55.22%0.01631%0.31CS..SBendtrans-92.838.7-175.4-56.9178.4000112.2L560 F581 Q584 I585 E588 D599L560-L563 HydrophobicContact CD1-CB 4.2Å; L560-L563 WeakPolarHBondContact CD1-O 3.21Å; L563-F581 HydrophobicContact CB-CE2 3.67Å; L563-F581 HydrophobicContact CB-CZ 4.18Å; L563-F581 HydrophobicContact CD1-CE2 4.42Å; L563-F581 HydrophobicContact CD1-CZ 4.27Å; L563-F581 WeakPolarHBondContact O-CE2 3.3Å; L563-Q584 HydrophobicContact CD2-CB 3.72Å; L563-I585 HydrophobicContact CD1-CG1 4.04Å; L563-E588 HydrophobicContact CD2-CG 4.1Å; L563-D599 HydrophobicContact CD1-CB 4.07Å; L563-D599 HydrophobicContact CG-CB 4.27Å; L563-D599 PolarHBondContact N-OD2 3.49Å
564R92Very high89.4Confident130 Ų13060.9 Ų60.949%0.49134%0.336SS..  trans-74.7-30.2-173.1-73.1-177176.8-130.6-24114.3R557 D558 L560 Q562R557-R564 WeakPolarHBondContact CB-O 3.4Å; R557-R564 WeakPolarHBondContact CD-O 2.95Å; R557-R564 PolarHBondContact NE-O 3.11Å; D558-R564 PolarHBondContact O-NH2 3.08Å; L560-R564 HydrophobicContact CB-CG 4.22Å; L560-R564 VanDerWaalsContact O-CG 3.27Å; L560-R564 WeakPolarHBondContact O-CG 3.28Å; L560-R564 PolarHBondContact O-NE 3.43Å; L560-R564 PolarHBondContact O-NH2 3.06Å; Q562-R564 VanDerWaalsContact C-N 3.28Å; Q562-R564 PolarHBondContact O-N 3.45Å
565S92.3Very high89.4Confident41 Ų4167.7 Ų67.729%0.28737%0.367SS..  trans-123.9132.2-168.6-177.60000112.6E485 Y567 Q584E485-S565 VanDerWaalsContact OE1-CA 3.25Å; E485-S565 WeakPolarHBondContact OE1-CA 3.44Å; E485-S565 PolarHBondContact OE2-OG 3.12Å; S565-Y567 PolarHBondContact OG-N 3.35Å; S565-Y567 VanDerWaalsContact OG-N 3.14Å; S565-Y567 PolarHBondContact OG-O 3.03Å; S565-Q584 PolarHBondContact O-NE2 3.21Å; S565-Q584 PolarHBondContact O-OE1 2.92Å
566V93.4Very high89.5Confident0 Ų063.6 Ų63.60%035%0.349CS..SBendtrans-102.62.8166.6-60.40000112.1D269 L482 E485 Y578 R579 F581D269-V566 HydrophobicContact CB-CG1 4.4Å; L482-V566 HydrophobicContact CD2-CG2 3.86Å; E485-V566 PolarHBondContact OE1-N 3.14Å; E485-V566 WeakPolarHBondContact OE2-CG2 3.41Å; E485-V566 PolarHBondContact OE2-N 3.1Å; V566-Y578 HydrophobicContact CB-CD2 4.16Å; V566-Y578 HydrophobicContact CB-CE2 3.91Å; V566-Y578 HydrophobicContact CG2-CD2 4.31Å; V566-Y578 HydrophobicContact CG2-CE2 4.13Å; V566-Y578 WeakPolarHBondContact O-CD2 3.41Å; V566-R579 WeakPolarHBondContact CA-O 3.31Å; V566-R579 WeakPolarHBondContact CB-O 3.27Å; V566-R579 PolarHBondContact O-N 3.29Å; V566-F581 HydrophobicContact CG1-CB 3.9Å; V566-F581 HydrophobicContact CG1-CD2 4.06Å; V566-F581 HydrophobicContact CG1-CG 4.48Å
567Y92.5Very high89.5Confident15 Ų1565.6 Ų65.66%0.05936%0.364CS..EExtended strand (participates in β ladder)trans-100.2140.1173.8178.9-111.9000111.5L428 L431 G432 E485 A486 S565 A569 A576L428-Y567 HydrophobicContact CD1-CD2 3.7Å; L428-Y567 HydrophobicContact CD1-CE2 3.8Å; L428-Y567 HydrophobicContact CG-CE2 4.38Å; L431-Y567 HydrophobicContact CB-CE2 4.37Å; G432-Y567 WeakPolarHBondContact CA-OH 3.36Å; G432-Y567 PolarHBondContact N-OH 3.44Å; E485-Y567 VanDerWaalsContact OE2-CB 3.25Å; E485-Y567 WeakPolarHBondContact OE2-CB 3.39Å; E485-Y567 PolarHBondContact OE2-N 3.24Å; A486-Y567 HydrophobicContact CB-CD1 4.03Å; A486-Y567 HydrophobicContact CB-CE1 3.87Å; S565-Y567 PolarHBondContact OG-N 3.35Å; S565-Y567 VanDerWaalsContact OG-N 3.14Å; S565-Y567 PolarHBondContact OG-O 3.03Å; Y567-A569 HydrophobicContact CE1-CB 3.89Å; Y567-A576 HydrophobicContact CE2-CB 3.9Å; Y567-A576 WeakPolarHBondContact OH-CB 3.19Å
568T90.4Very high89.6Confident59 Ų5967 Ų6736%0.36237%0.369SS..EExtended strand (participates in β ladder)trans-124.9115.3169.9-59.50000108.5A576 S577T568-A576 CarbonylContact O-C 3.53Å; T568-A576 VanDerWaalsContact O-CA 3.26Å; T568-A576 WeakPolarHBondContact O-CA 3.45Å; T568-S577 PolarHBondContact N-O 3.13Å; T568-S577 PolarHBondContact O-N 3.26Å
569A86.9Confident89.7Confident60 Ų6068 Ų6850%0.49637%0.367SS..  trans-64159.7179.400000112.4Y567Y567-A569 HydrophobicContact CE1-CB 3.89Å
570S85.1Confident90Very high50 Ų5066.2 Ų66.235%0.3536%0.361SS..  trans-69.9143.717368.40000110.5H574S570-H574 VanDerWaalsContact CA-O 3.31Å; S570-H574 WeakPolarHBondContact CA-O 3.46Å; S570-H574 WeakPolarHBondContact CB-O 3.08Å
571D82.7Confident90.2Very high104 Ų10466 Ų6656%0.55636%0.36SS*.  trans-115.816.6179.768.63000112.3V573 H574D571-V573 PolarHBondContact O-N 3.05Å; D571-V573 WeakPolarHBondContact OD1-CA 3.46Å; D571-V573 PolarHBondContact OD1-N 3.11Å; D571-H574 PolarHBondContact N-O 3.26Å; D571-H574 IonicContact OD1-CG 3.73Å; D571-H574 PolarHBondContact OD1-N 3.37Å; D571-H574 IonicContact OD1-ND1 3.8Å; D571-H574 PolarHBondContact OD1-ND1 3.18Å; D571-H574 IonicContact OD2-CE1 3.57Å; D571-H574 IonicContact OD2-CG 2.86Å; D571-H574 IonicContact OD2-ND1 3.31Å; D571-H574 PolarHBondContact OD2-ND1 3.45Å
572G79Confident90.4Very high79 Ų7959.1 Ų59.181%0.81433%0.33SS*.SBendtrans78.4-13.3-174.700000114.9
573V85.1Confident90.6Very high122 Ų12258.8 Ų58.874%0.73933%0.325SS*.SBendtrans-110.2-41.7175179.90000110.7D571D571-V573 PolarHBondContact O-N 3.05Å; D571-V573 WeakPolarHBondContact OD1-CA 3.46Å; D571-V573 PolarHBondContact OD1-N 3.11Å
574H85.6Confident90.8Very high122 Ų12259 Ų5957%0.56533%0.325SS*.SBendtrans-106.9139.3178.1-52.197.9000109.7S570 D571S570-H574 VanDerWaalsContact CA-O 3.31Å; S570-H574 WeakPolarHBondContact CA-O 3.46Å; S570-H574 WeakPolarHBondContact CB-O 3.08Å; D571-H574 PolarHBondContact N-O 3.26Å; D571-H574 IonicContact OD1-CG 3.73Å; D571-H574 PolarHBondContact OD1-N 3.37Å; D571-H574 IonicContact OD1-ND1 3.8Å; D571-H574 PolarHBondContact OD1-ND1 3.18Å; D571-H574 IonicContact OD2-CE1 3.57Å; D571-H574 IonicContact OD2-CG 2.86Å; D571-H574 IonicContact OD2-ND1 3.31Å; D571-H574 PolarHBondContact OD2-ND1 3.45Å
575Q89.1Confident91.1Very high152 Ų15252.8 Ų52.871%0.7130%0.302SS*.  trans-68.9155.7171.1-74.1-178.7-10.300110.4S577Q575-S577 PolarHBondContact O-N 3.06Å
576A89.9Confident91.3Very high5 Ų550.9 Ų50.94%0.04129%0.289CS..  trans-56.7140.6172.500000109.6Q429 Y567 T568Q429-A576 PolarHBondContact NE2-O 2.95Å; Y567-A576 HydrophobicContact CE2-CB 3.9Å; Y567-A576 WeakPolarHBondContact OH-CB 3.19Å; T568-A576 CarbonylContact O-C 3.53Å; T568-A576 VanDerWaalsContact O-CA 3.26Å; T568-A576 WeakPolarHBondContact O-CA 3.45Å
577S91.5Very high91.4Very high52 Ų5253.1 Ų53.136%0.36430%0.299SS..EExtended strand (participates in β ladder)trans-142.8149.7-172.861.30000112.3T568 Q575T568-S577 PolarHBondContact N-O 3.13Å; T568-S577 PolarHBondContact O-N 3.26Å; Q575-S577 PolarHBondContact O-N 3.06Å
578Y93.2Very high91.6Very high32 Ų3254.5 Ų54.513%0.12531%0.306CS..EExtended strand (participates in β ladder)trans-83.9128.1170.1163.2-121.1000109D269 T271 G272 H277 V566 P580D269-Y578 PolarHBondContact OD1-OH 3.26Å; D269-Y578 PolarHBondContact OD2-OH 3.43Å; T271-Y578 HydrophobicContact CG2-CD2 3.64Å; T271-Y578 HydrophobicContact CG2-CE2 3.84Å; T271-Y578 HydrophobicContact CG2-CG 4.05Å; G272-Y578 WeakPolarHBondContact CA-OH 3.39Å; G272-Y578 PolarHBondContact N-OH 2.91Å; H277-Y578 AromaticContact CE1-CD1 3.94Å; H277-Y578 AromaticContact CE1-CE1 3.74Å; H277-Y578 AromaticContact NE2-CD1 3.63Å; H277-Y578 AromaticContact NE2-CE1 3.31Å; H277-Y578 VanDerWaalsContact NE2-CE1 3.31Å; H277-Y578 WeakPolarHBondContact NE2-CE1 3.37Å; V566-Y578 HydrophobicContact CB-CD2 4.16Å; V566-Y578 HydrophobicContact CB-CE2 3.91Å; V566-Y578 HydrophobicContact CG2-CD2 4.31Å; V566-Y578 HydrophobicContact CG2-CE2 4.13Å; V566-Y578 WeakPolarHBondContact O-CD2 3.41Å; Y578-P580 HydrophobicContact CD1-CG 4.12Å; Y578-P580 HydrophobicContact CE1-CB 4.05Å; Y578-P580 HydrophobicContact CE1-CG 3.59Å; Y578-P580 WeakPolarHBondContact O-CD 3.31Å; Y578-P580 WeakPolarHBondContact OH-CA 3.43Å
579R93.7Very high91.8Very high101 Ų10152 Ų5238%0.38129%0.291SS..  trans-109.597.1176.9-172.9-179.7-178.5-166.9-4.8109.3V566 F581 Q584 E587V566-R579 WeakPolarHBondContact CA-O 3.31Å; V566-R579 WeakPolarHBondContact CB-O 3.27Å; V566-R579 PolarHBondContact O-N 3.29Å; R579-F581 PolarHBondContact O-N 3.43Å; R579-Q584 HydrophobicContact CG-CG 3.96Å; R579-Q584 PolarHBondContact O-NE2 3.08Å; R579-E587 IonicContact CZ-OE2 3.24Å; R579-E587 IonicContact NE-OE2 2.62Å; R579-E587 IonicContact NH2-OE2 3.08Å; R579-E587 PolarHBondContact NH2-OE2 3.39Å
580P95.9Very high92.1Very high21 Ų2149.9 Ų49.914%0.13627%0.27CS..  trans-55.8136.4-174.3-23.429.3000113.7Y578 L582 R583 Q584 L647Y578-P580 HydrophobicContact CD1-CG 4.12Å; Y578-P580 HydrophobicContact CE1-CB 4.05Å; Y578-P580 HydrophobicContact CE1-CG 3.59Å; Y578-P580 WeakPolarHBondContact O-CD 3.31Å; Y578-P580 WeakPolarHBondContact OH-CA 3.43Å; P580-L582 PolarHBondContact O-N 2.84Å; P580-R583 HydrophobicContact CB-CB 4.37Å; P580-R583 VanDerWaalsContact O-CB 3.31Å; P580-R583 WeakPolarHBondContact O-CB 3.48Å; P580-R583 PolarHBondContact O-N 3.18Å; P580-R583 VanDerWaalsContact O-N 3.08Å; P580-Q584 PolarHBondContact O-N 3.39Å; P580-L647 HydrophobicContact CB-CD2 3.49Å; P580-L647 VanDerWaalsContact CB-CD2 3.49Å; P580-L647 HydrophobicContact CG-CD1 4.46Å; P580-L647 HydrophobicContact CG-CD2 3.99Å
581F96.8Very high92.5Very high0 Ų050.6 Ų50.60%027%0.268CS..Hα-helixtrans-64.1-38.8-174.5-170-106.1000113.2V231 I264 M268 D269 L560 L563 V566 R579 R583 Q584 I585V231-F581 HydrophobicContact CG1-CE1 3.72Å; V231-F581 HydrophobicContact CG1-CZ 3.57Å; I264-F581 HydrophobicContact CG2-CD1 4.22Å; I264-F581 HydrophobicContact CG2-CE1 4.06Å; M268-F581 HydrophobicContact CB-CD1 3.85Å; M268-F581 HydrophobicContact CB-CE1 3.47Å; M268-F581 VanDerWaalsContact CB-CE1 3.47Å; M268-F581 HydrophobicContact CB-CE2 4.22Å; M268-F581 HydrophobicContact CB-CG 4.37Å; M268-F581 HydrophobicContact CB-CZ 3.69Å; M268-F581 HydrophobicContact CG-CE1 3.99Å; M268-F581 HydrophobicContact CG-CZ 4.09Å; D269-F581 HydrophobicContact CB-CB 3.44Å; D269-F581 VanDerWaalsContact CB-CB 3.44Å; D269-F581 HydrophobicContact CB-CG 4.21Å; D269-F581 VanDerWaalsContact OD2-CB 3.31Å; D269-F581 WeakPolarHBondContact OD2-CB 3.4Å; D269-F581 PolarHBondContact OD2-N 3.08Å; L560-F581 HydrophobicContact CD1-CE2 3.87Å; L560-F581 HydrophobicContact CD1-CZ 3.9Å; L563-F581 HydrophobicContact CB-CE2 3.67Å; L563-F581 HydrophobicContact CB-CZ 4.18Å; L563-F581 HydrophobicContact CD1-CE2 4.42Å; L563-F581 HydrophobicContact CD1-CZ 4.27Å; L563-F581 WeakPolarHBondContact O-CE2 3.3Å; V566-F581 HydrophobicContact CG1-CB 3.9Å; V566-F581 HydrophobicContact CG1-CD2 4.06Å; V566-F581 HydrophobicContact CG1-CG 4.48Å; R579-F581 PolarHBondContact O-N 3.43Å; F581-R583 PolarHBondContact O-N 3.19Å; F581-Q584 WeakPolarHBondContact O-CB 3.27Å; F581-Q584 PolarHBondContact O-N 3.23Å; F581-I585 HydrophobicContact CD1-CD1 3.7Å; F581-I585 HydrophobicContact CD1-CG1 4.29Å; F581-I585 HydrophobicContact CE1-CD1 3.47Å; F581-I585 VanDerWaalsContact CE1-CD1 3.47Å; F581-I585 HydrophobicContact CE1-CG1 4.13Å; F581-I585 HydrophobicContact CZ-CD1 4.35Å; F581-I585 PolarHBondContact O-N 2.66Å
582L97.5Very high92.7Very high1 Ų150.6 Ų50.61%0.00527%0.274CS..Hα-helixtrans-61-34.6175.2-65.1178000112.5I264 P580 Q584 L586 L636 E644 L647 V648I264-L582 HydrophobicContact CD1-CD2 3.66Å; P580-L582 PolarHBondContact O-N 2.84Å; L582-Q584 VanDerWaalsContact C-N 3.35Å; L582-L586 WeakPolarHBondContact O-CB 3.47Å; L582-L586 VanDerWaalsContact O-CG 3.24Å; L582-L586 WeakPolarHBondContact O-CG 3.49Å; L582-L586 PolarHBondContact O-N 3.32Å; L582-L636 HydrophobicContact CD1-CD2 3.87Å; L582-L636 HydrophobicContact CD2-CD1 4.13Å; L582-L636 HydrophobicContact CD2-CD2 4.29Å; L582-L636 HydrophobicContact CD2-CG 4.35Å; L582-E644 HydrophobicContact CD1-CB 3.73Å; L582-E644 HydrophobicContact CD1-CG 3.81Å; L582-L647 HydrophobicContact CB-CD2 4.22Å; L582-V648 HydrophobicContact CD1-CG2 4.32Å
583R97.4Very high93.1Very high85 Ų8553.2 Ų53.232%0.32127%0.269SS..Hα-helixtrans-63.1-45.4173.5172.9-174.7-67-76.3-1.4110P580 F581 L586 E587 L647 T651P580-R583 HydrophobicContact CB-CB 4.37Å; P580-R583 VanDerWaalsContact O-CB 3.31Å; P580-R583 WeakPolarHBondContact O-CB 3.48Å; P580-R583 PolarHBondContact O-N 3.18Å; P580-R583 VanDerWaalsContact O-N 3.08Å; F581-R583 PolarHBondContact O-N 3.19Å; R583-L586 PolarHBondContact O-N 2.72Å; R583-E587 WeakPolarHBondContact CD-OE1 3.49Å; R583-E587 HydrophobicContact CG-CG 4.3Å; R583-E587 WeakPolarHBondContact CG-OE1 3.28Å; R583-E587 WeakPolarHBondContact O-CB 3.1Å; R583-E587 VanDerWaalsContact O-CG 3.29Å; R583-E587 WeakPolarHBondContact O-CG 3.45Å; R583-E587 PolarHBondContact O-N 2.83Å; R583-L647 HydrophobicContact CB-CD1 4.24Å; R583-L647 HydrophobicContact CB-CD2 4.16Å; R583-L647 HydrophobicContact CB-CG 4.45Å; R583-T651 HydrophobicContact CG-CG2 4.43Å
584Q97.2Very high92.9Very high7 Ų754.2 Ų54.23%0.03326%0.26CS..Hα-helixtrans-61.8-44.8179.3-52.8-174.742.200111.6L563 S565 R579 P580 F581 L582 L586 E587 E588L563-Q584 HydrophobicContact CD2-CB 3.72Å; S565-Q584 PolarHBondContact O-NE2 3.21Å; S565-Q584 PolarHBondContact O-OE1 2.92Å; R579-Q584 HydrophobicContact CG-CG 3.96Å; R579-Q584 PolarHBondContact O-NE2 3.08Å; P580-Q584 PolarHBondContact O-N 3.39Å; F581-Q584 WeakPolarHBondContact O-CB 3.27Å; F581-Q584 PolarHBondContact O-N 3.23Å; L582-Q584 VanDerWaalsContact C-N 3.35Å; Q584-L586 VanDerWaalsContact C-N 3.34Å; Q584-L586 PolarHBondContact O-N 3.39Å; Q584-E587 PolarHBondContact O-N 2.86Å; Q584-E588 WeakPolarHBondContact O-CG 3.42Å; Q584-E588 PolarHBondContact O-N 2.82Å
585I97.5Very high92.8Very high1 Ų151 Ų511%0.00525%0.249CC..Hα-helixtrans-57.6-47.1174.6-70.8175.5000111.1V231 I262 I264 L563 F581 E588 V589 I600V231-I585 HydrophobicContact CG2-CD1 4.19Å; I262-I585 HydrophobicContact CD1-CG2 4.14Å; I264-I585 HydrophobicContact CD1-CD1 3.56Å; I264-I585 HydrophobicContact CG1-CD1 3.88Å; I264-I585 HydrophobicContact CG2-CD1 4.07Å; L563-I585 HydrophobicContact CD1-CG1 4.04Å; F581-I585 HydrophobicContact CD1-CD1 3.7Å; F581-I585 HydrophobicContact CD1-CG1 4.29Å; F581-I585 HydrophobicContact CE1-CD1 3.47Å; F581-I585 VanDerWaalsContact CE1-CD1 3.47Å; F581-I585 HydrophobicContact CE1-CG1 4.13Å; F581-I585 HydrophobicContact CZ-CD1 4.35Å; F581-I585 PolarHBondContact O-N 2.66Å; I585-E588 PolarHBondContact O-N 2.83Å; I585-V589 HydrophobicContact CG2-CG2 4.19Å; I585-V589 WeakPolarHBondContact O-CB 3.46Å; I585-V589 WeakPolarHBondContact O-CG2 3.49Å; I585-V589 PolarHBondContact O-N 3.38Å; I585-I600 HydrophobicContact CG2-CD1 4.27Å
586L97.3Very high92.6Very high0 Ų048.5 Ų48.50%024%0.238CC..Hα-helixtrans-65.2-39.7-179.8-71.4168.9000112.1L582 R583 Q584 V589 F590 L634 V648 T651 V652 L655L582-L586 WeakPolarHBondContact O-CB 3.47Å; L582-L586 VanDerWaalsContact O-CG 3.24Å; L582-L586 WeakPolarHBondContact O-CG 3.49Å; L582-L586 PolarHBondContact O-N 3.32Å; R583-L586 PolarHBondContact O-N 2.72Å; Q584-L586 VanDerWaalsContact C-N 3.34Å; Q584-L586 PolarHBondContact O-N 3.39Å; L586-V589 PolarHBondContact O-N 2.79Å; L586-F590 HydrophobicContact CD2-CD2 4.22Å; L586-F590 HydrophobicContact CD2-CE2 3.74Å; L586-F590 WeakPolarHBondContact O-CB 3.39Å; L586-F590 WeakPolarHBondContact O-CD2 3.3Å; L586-F590 PolarHBondContact O-N 3.46Å; L586-L634 HydrophobicContact CD2-CD1 4.22Å; L586-V648 HydrophobicContact CD1-CB 4.25Å; L586-V648 HydrophobicContact CD1-CG1 4.18Å; L586-V648 HydrophobicContact CD1-CG2 4.11Å; L586-T651 HydrophobicContact CB-CG2 3.87Å; L586-T651 HydrophobicContact CD1-CG2 4Å; L586-V652 HydrophobicContact CD1-CG2 4.28Å; L586-V652 HydrophobicContact CD2-CG2 3.88Å; L586-L655 HydrophobicContact CB-CD1 4.42Å
587E96Very high92.6Very high48 Ų4849 Ų4922%0.22424%0.241CC..Hα-helixtrans-59.6-46.2174.1-75.6168.2179.800111R579 R583 Q584 H591 L655R579-E587 IonicContact CZ-OE2 3.24Å; R579-E587 IonicContact NE-OE2 2.62Å; R579-E587 IonicContact NH2-OE2 3.08Å; R579-E587 PolarHBondContact NH2-OE2 3.39Å; R583-E587 WeakPolarHBondContact CD-OE1 3.49Å; R583-E587 HydrophobicContact CG-CG 4.3Å; R583-E587 WeakPolarHBondContact CG-OE1 3.28Å; R583-E587 WeakPolarHBondContact O-CB 3.1Å; R583-E587 VanDerWaalsContact O-CG 3.29Å; R583-E587 WeakPolarHBondContact O-CG 3.45Å; R583-E587 PolarHBondContact O-N 2.83Å; Q584-E587 PolarHBondContact O-N 2.86Å; E587-H591 WeakPolarHBondContact O-CA 3.37Å; E587-H591 VanDerWaalsContact O-CB 3.28Å; E587-H591 WeakPolarHBondContact O-CB 3.45Å; E587-H591 PolarHBondContact O-N 2.96Å; E587-L655 HydrophobicContact CB-CD1 4.49Å; E587-L655 HydrophobicContact CG-CD1 3.99Å
588E95.3Very high92.5Very high43 Ų4349 Ų4920%0.20124%0.24CC..Hα-helixtrans-64.3-46.9175.7-72.7-55.8141.100112.7L563 Q584 I585 F590 H591 C597 I600L563-E588 HydrophobicContact CD2-CG 4.1Å; Q584-E588 WeakPolarHBondContact O-CG 3.42Å; Q584-E588 PolarHBondContact O-N 2.82Å; I585-E588 PolarHBondContact O-N 2.83Å; E588-F590 VanDerWaalsContact C-N 3.33Å; E588-F590 PolarHBondContact O-N 3.25Å; E588-H591 PolarHBondContact O-N 2.97Å; E588-C597 HydrophobicContact CB-CB 4.37Å; E588-C597 HydrophobicContact CG-CB 4.42Å; E588-I600 HydrophobicContact CB-CD1 4.29Å
589V95.1Very high92.6Very high7 Ų747.8 Ų47.84%0.04224%0.236CC..Hα-helixtrans-62.4-41.6-178.6168.80000111.5I262 I585 L586 I600 P626 R627 L632I262-V589 HydrophobicContact CD1-CG2 3.77Å; I585-V589 HydrophobicContact CG2-CG2 4.19Å; I585-V589 WeakPolarHBondContact O-CB 3.46Å; I585-V589 WeakPolarHBondContact O-CG2 3.49Å; I585-V589 PolarHBondContact O-N 3.38Å; L586-V589 PolarHBondContact O-N 2.79Å; V589-I600 HydrophobicContact CG2-CD1 3.96Å; V589-P626 HydrophobicContact CG1-CB 4.04Å; V589-P626 HydrophobicContact CG2-CB 4.08Å; V589-P626 HydrophobicContact CG2-CG 4.12Å; V589-R627 HydrophobicContact CG1-CB 4.01Å; V589-R627 WeakPolarHBondContact O-CB 3.41Å; V589-R627 WeakPolarHBondContact O-CG 3.46Å; V589-L632 HydrophobicContact CG1-CD2 4.08Å
590F94.3Very high92.7Very high15 Ų1543.9 Ų43.97%0.06622%0.222CC..Hα-helixtrans-98.65.1-176.3-62.5-57.3000114.3L586 E588 R627 L632 V652 L655 K656 T659 V661L586-F590 HydrophobicContact CD2-CD2 4.22Å; L586-F590 HydrophobicContact CD2-CE2 3.74Å; L586-F590 WeakPolarHBondContact O-CB 3.39Å; L586-F590 WeakPolarHBondContact O-CD2 3.3Å; L586-F590 PolarHBondContact O-N 3.46Å; E588-F590 VanDerWaalsContact C-N 3.33Å; E588-F590 PolarHBondContact O-N 3.25Å; F590-R627 HydrophobicContact CD1-CB 4.4Å; F590-R627 HydrophobicContact CE1-CB 4.34Å; F590-L632 HydrophobicContact CE2-CD2 4.13Å; F590-L632 HydrophobicContact CZ-CD2 3.83Å; F590-V652 HydrophobicContact CE2-CG2 4.16Å; F590-L655 HydrophobicContact CB-CB 4.02Å; F590-L655 HydrophobicContact CB-CD1 4.24Å; F590-K656 HydrophobicContact CB-CB 4.48Å; F590-K656 HydrophobicContact CD1-CB 4.07Å; F590-K656 HydrophobicContact CD1-CD 3.48Å; F590-K656 VanDerWaalsContact CD1-CD 3.48Å; F590-K656 HydrophobicContact CD1-CG 4.43Å; F590-K656 HydrophobicContact CE1-CD 3.81Å; F590-K656 HydrophobicContact CG-CB 4.23Å; F590-K656 HydrophobicContact CG-CD 4.39Å; F590-T659 HydrophobicContact CE1-CG2 3.83Å; F590-T659 HydrophobicContact CZ-CG2 3.79Å; F590-V661 HydrophobicContact CE2-CG2 4.21Å; F590-V661 HydrophobicContact CZ-CG2 4.05Å
591H91.6Very high92.7Very high66 Ų6645.8 Ų45.831%0.30623%0.229SC..  trans-55.7129.1179.4-164.2-72.4000111.6E587 E588 D593 R594 P595 R627E587-H591 WeakPolarHBondContact O-CA 3.37Å; E587-H591 VanDerWaalsContact O-CB 3.28Å; E587-H591 WeakPolarHBondContact O-CB 3.45Å; E587-H591 PolarHBondContact O-N 2.96Å; E588-H591 PolarHBondContact O-N 2.97Å; H591-D593 IonicContact CE1-OD2 3.83Å; H591-D593 PolarHBondContact CE1-OD2 2.73Å; H591-D593 PolarHBondContact ND1-N 3.24Å; H591-D593 PolarHBondContact O-N 3.45Å; H591-R594 PolarHBondContact O-N 3.15Å; H591-P595 HydrophobicContact CB-CG 4.04Å; H591-P595 WeakPolarHBondContact ND1-CD 3.32Å; H591-R627 PolarHBondContact O-NH1 3.42Å
592P87.3Confident92.5Very high104 Ų10448.1 Ų48.168%0.67524%0.24SC*.THydrogen-bonded Turntrans-61.8-42.7-17321.6-32.4000112.8R594P592-R594 WeakPolarHBondContact O-CG 3.41Å; P592-R594 PolarHBondContact O-N 2.91Å
593D87.1Confident92.2Very high134 Ų13449.7 Ų49.772%0.71725%0.248SC*.THydrogen-bonded Turntrans-74.4-4-177.9-60.1-35.3000114.5H591H591-D593 IonicContact CE1-OD2 3.83Å; H591-D593 PolarHBondContact CE1-OD2 2.73Å; H591-D593 PolarHBondContact ND1-N 3.24Å; H591-D593 PolarHBondContact O-N 3.45Å
594R82.6Confident91.2Very high143 Ų14346.5 Ų46.554%0.5424%0.238SC..  trans57.949.1174.7-43.4-151.7160.6-168.70.9112.9H591 P592 R625H591-R594 PolarHBondContact O-N 3.15Å; P592-R594 WeakPolarHBondContact O-CG 3.41Å; P592-R594 PolarHBondContact O-N 2.91Å; R594-R625 VanDerWaalsContact CB-NH1 3.28Å; R594-R625 PolarHBondContact O-NH1 3.35Å
595P83.4Confident89.5Confident53 Ų5348 Ų4834%0.34426%0.255SS..  trans-59.4156.3170.629.5-34.3000110.7H591H591-P595 HydrophobicContact CB-CG 4.04Å; H591-P595 WeakPolarHBondContact ND1-CD 3.32Å
596E83.6Confident87.4Confident100 Ų10050 Ų5047%0.46728%0.276SS..  trans-86.3125167.3-173.7173.8-178.800108.2Q562 R623Q562-E596 PolarHBondContact NE2-O 3Å; E596-R623 WeakPolarHBondContact OE1-CD 3.47Å; E596-R623 IonicContact OE1-CZ 3.89Å; E596-R623 IonicContact OE1-NE 2.84Å; E596-R623 IonicContact OE1-NH1 3.37Å; E596-R623 PolarHBondContact OE1-NH1 3.28Å
597C89.9Confident84.9Confident17 Ų1756.5 Ų56.512%0.11531%0.31CS..  trans-101.7107.3172.5-174.10000108.3Q562 E588 D599 I600Q562-C597 PolarHBondContact OE1-SG 2.79Å; E588-C597 HydrophobicContact CB-CB 4.37Å; E588-C597 HydrophobicContact CG-CB 4.42Å; C597-D599 PolarHBondContact O-N 3.42Å; C597-I600 HydrophobicContact CB-CD1 4.33Å; C597-I600 HydrophobicContact CB-CG1 4.39Å; C597-I600 PolarHBondContact O-N 2.82Å
598P90.9Very high82.5Confident51 Ų5157 Ų5733%0.33132%0.317SS..THydrogen-bonded Turntrans-69-15.2-177.830.5-35.8000113K561 Q562K561-P598 HydrophobicContact CB-CG 4.06Å; K561-P598 HydrophobicContact CD-CB 4.2Å; K561-P598 HydrophobicContact CD-CG 3.87Å; K561-P598 HydrophobicContact CG-CG 4.48Å; Q562-P598 VanDerWaalsContact CD-CD 3.48Å; Q562-P598 VanDerWaalsContact NE2-CD 3.31Å
599D95.1Very high80.1Confident7 Ų758 Ų584%0.03732%0.324CS..THydrogen-bonded Turntrans-82.2-18.9-178.5-62-19.3000112.8L560 K561 Q562 L563 C597 E601L560-D599 HydrophobicContact CD2-CB 4.08Å; K561-D599 WeakPolarHBondContact CB-OD1 3.36Å; K561-D599 PolarHBondContact N-OD1 3.27Å; K561-D599 PolarHBondContact N-OD2 3.14Å; Q562-D599 WeakPolarHBondContact CA-OD2 3.48Å; Q562-D599 PolarHBondContact N-OD2 3.28Å; L563-D599 HydrophobicContact CD1-CB 4.07Å; L563-D599 HydrophobicContact CG-CB 4.27Å; L563-D599 PolarHBondContact N-OD2 3.49Å; C597-D599 PolarHBondContact O-N 3.42Å; D599-E601 PolarHBondContact O-N 2.85Å
600I95.9Very high77.5Confident18 Ų1864.2 Ų64.29%0.09236%0.356CS..SBendtrans-95.487.7172.3-55.7175.7000107.6F229 V231 I262 I585 E588 V589 C597 P626F229-I600 HydrophobicContact CB-CG2 3.96Å; F229-I600 HydrophobicContact CD1-CG2 4.14Å; F229-I600 HydrophobicContact CG-CG2 4.33Å; V231-I600 HydrophobicContact CG2-CB 4.43Å; V231-I600 HydrophobicContact CG2-CG1 3.97Å; I262-I600 HydrophobicContact CG2-CG2 4.44Å; I585-I600 HydrophobicContact CG2-CD1 4.27Å; E588-I600 HydrophobicContact CB-CD1 4.29Å; V589-I600 HydrophobicContact CG2-CD1 3.96Å; C597-I600 HydrophobicContact CB-CD1 4.33Å; C597-I600 HydrophobicContact CB-CG1 4.39Å; C597-I600 PolarHBondContact O-N 2.82Å; I600-P626 HydrophobicContact CG2-CG 3.93Å
601E94.3Very high75Confident62 Ų6267.4 Ų67.429%0.2937%0.373SS..EExtended strand (participates in β ladder)trans-76.8128.6-173.1-66178.9-143.200111F229 A230 R236 D599F229-E601 CarbonylContact C-O 3.58Å; F229-E601 WeakPolarHBondContact CA-O 3.35Å; A230-E601 PolarHBondContact N-O 3Å; A230-E601 PolarHBondContact O-N 3.28Å; R236-E601 IonicContact CZ-OE1 2.76Å; R236-E601 IonicContact CZ-OE2 3.68Å; R236-E601 IonicContact NE-OE1 3.42Å; R236-E601 PolarHBondContact NE-OE1 3.31Å; R236-E601 IonicContact NE-OE2 2.76Å; R236-E601 PolarHBondContact NE-OE2 2.69Å; R236-E601 IonicContact NH2-OE1 2.92Å; R236-E601 PolarHBondContact NH2-OE1 2.61Å; R236-E601 IonicContact NH2-OE2 3.4Å; D599-E601 PolarHBondContact O-N 2.85Å
602H93.6Very high72.9Confident48 Ų4869.8 Ų69.822%0.22238%0.383CS..EExtended strand (participates in β ladder)trans-84.2127.3173.1172.4-97.6000110.8E227 F229E227-H602 WeakPolarHBondContact CG-NE2 3.41Å; E227-H602 IonicContact OE1-NE2 2.76Å; E227-H602 PolarHBondContact OE1-NE2 2.81Å; F229-H602 HydrophobicContact CD1-CB 3.82Å; F229-H602 HydrophobicContact CE1-CB 3.71Å; F229-H602 AromaticContact CE1-CD2 3.64Å; F229-H602 AromaticContact CZ-CD2 3.75Å
603M91.1Very high70.9Confident35 Ų3569.2 Ų69.217%0.17238%0.377CS..EExtended strand (participates in β ladder)trans-102.2115.8-179.3-57.6-56.4-70.800110.4S228 A230 R236 A239 A243S228-M603 PolarHBondContact O-N 2.8Å; A230-M603 HydrophobicContact CB-CG 4.34Å; R236-M603 HydrophobicContact CG-CE 3.59Å; R236-M603 HydrophobicContact CG-SD 3.83Å; R236-M603 WeakPolarHBondContact O-CE 3.36Å; A239-M603 HydrophobicContact CB-CB 4.25Å; A239-M603 HydrophobicContact CB-CG 3.64Å; A243-M603 HydrophobicContact CB-CB 4.19Å
604S75.9Confident68.7Low17 Ų1764.8 Ų64.812%0.11936%0.363CS..  trans-107.6147.4177.594.50000112.4D609S604-D609 WeakPolarHBondContact CB-OD2 3.31Å; S604-D609 PolarHBondContact N-OD2 2.74Å; S604-D609 PolarHBondContact OG-OD1 2.98Å; S604-D609 PolarHBondContact OG-OD2 3.46Å
605G61.3Low66.7Low38 Ų3864.2 Ų64.239%0.39237%0.365SS..  trans-84.3122.6175.900000112.2A243 N244 T608A243-G605 WeakPolarHBondContact O-CA 3.34Å; N244-G605 VanDerWaalsContact OD1-CA 3.3Å; N244-G605 WeakPolarHBondContact OD1-CA 3.49Å; G605-T608 PolarHBondContact O-OG1 2.8Å
606G54.1Low64.9Low44 Ų4464.8 Ų64.845%0.45437%0.37SS..SBendtrans94.2-174.7168.800000117.9N244 T608 D609N244-G606 PolarHBondContact OD1-N 3.49Å; N244-G606 VanDerWaalsContact OD1-N 3.11Å; G606-T608 PolarHBondContact O-N 3.44Å; G606-D609 PolarHBondContact O-N 3.08Å
607L43.7Very low63.2Low136 Ų13667.6 Ų67.671%0.71239%0.385SS*.THydrogen-bonded Turntrans-53.8-8.3-179-120.8100.5000114.8D609 L610 L611L607-D609 VanDerWaalsContact C-N 3.3Å; L607-D609 PolarHBondContact O-N 3.39Å; L607-L610 PolarHBondContact O-N 2.69Å; L607-L611 HydrophobicContact CD2-CD1 4.49Å; L607-L611 PolarHBondContact O-N 3.02Å; L607-L611 VanDerWaalsContact O-N 3.08Å
608T47.2Very low61.3Low59 Ų5974.6 Ų74.636%0.36241%0.414SS..Hα-helixtrans-68.9-18.8178.545.20000114.2G605 G606 K612G605-T608 PolarHBondContact O-OG1 2.8Å; G606-T608 PolarHBondContact O-N 3.44Å; T608-K612 WeakPolarHBondContact O-CA 3.38Å; T608-K612 WeakPolarHBondContact O-CB 3.32Å; T608-K612 WeakPolarHBondContact O-CG 3.46Å; T608-K612 PolarHBondContact O-N 3.33Å
609D43.9Very low59Low65 Ų6578.5 Ų78.535%0.34843%0.429SS..Hα-helixtrans-72.7-39.1171.3-91.5-34.1000112S604 G606 L607 T613S604-D609 WeakPolarHBondContact CB-OD2 3.31Å; S604-D609 PolarHBondContact N-OD2 2.74Å; S604-D609 PolarHBondContact OG-OD1 2.98Å; S604-D609 PolarHBondContact OG-OD2 3.46Å; G606-D609 PolarHBondContact O-N 3.08Å; L607-D609 VanDerWaalsContact C-N 3.3Å; L607-D609 PolarHBondContact O-N 3.39Å; D609-T613 WeakPolarHBondContact O-CB 3.44Å; D609-T613 VanDerWaalsContact O-CG2 3.29Å; D609-T613 WeakPolarHBondContact O-CG2 3.36Å; D609-T613 PolarHBondContact O-N 3.23Å; D609-T613 PolarHBondContact O-OG1 3.4Å
610L40.3Very low56.7Low136 Ų13688.8 Ų88.871%0.71247%0.474SS*.Hα-helixtrans-67.5-38.9172.5-88.1157000111.8L607 T613 G614L607-L610 PolarHBondContact O-N 2.69Å; L610-T613 PolarHBondContact O-OG1 3.31Å; L610-T613 VanDerWaalsContact O-OG1 3.12Å; L610-G614 PolarHBondContact O-N 2.95Å
611L43Very low54.9Low82 Ų8292.7 Ų92.743%0.42950%0.498SS..Hα-helixtrans-77.6-33.8177.6-71.2166000112.7L607 F615L607-L611 HydrophobicContact CD2-CD1 4.49Å; L607-L611 PolarHBondContact O-N 3.02Å; L607-L611 VanDerWaalsContact O-N 3.08Å; L611-F615 HydrophobicContact CB-CD2 4.26Å; L611-F615 HydrophobicContact CD2-CD2 3.82Å; L611-F615 HydrophobicContact CD2-CE2 3.52Å; L611-F615 WeakPolarHBondContact O-CA 3.49Å; L611-F615 WeakPolarHBondContact O-CB 3.42Å; L611-F615 WeakPolarHBondContact O-CD2 3.47Å; L611-F615 PolarHBondContact O-N 2.96Å
612K46.4Very low53.6Low117 Ų11794.3 Ų94.351%0.50952%0.517SS..Hα-helixtrans-74.3-34.7175.7-75.8175.5178.1178.10111.5T608 S616T608-K612 WeakPolarHBondContact O-CA 3.38Å; T608-K612 WeakPolarHBondContact O-CB 3.32Å; T608-K612 WeakPolarHBondContact O-CG 3.46Å; T608-K612 PolarHBondContact O-N 3.33Å; K612-S616 WeakPolarHBondContact O-CA 3.39Å; K612-S616 WeakPolarHBondContact O-CB 3.21Å; K612-S616 PolarHBondContact O-N 2.7Å
613T45.2Very low52.8Low91 Ų9199.3 Ų99.356%0.55853%0.533SS*.Hα-helixtrans-68.4-40.2170.751.60000111.8D609 L610D609-T613 WeakPolarHBondContact O-CB 3.44Å; D609-T613 VanDerWaalsContact O-CG2 3.29Å; D609-T613 WeakPolarHBondContact O-CG2 3.36Å; D609-T613 PolarHBondContact O-N 3.23Å; D609-T613 PolarHBondContact O-OG1 3.4Å; L610-T613 PolarHBondContact O-OG1 3.31Å; L610-T613 VanDerWaalsContact O-OG1 3.12Å
614G41.7Very low52.7Low41 Ų4199.3 Ų99.342%0.42354%0.536SS..Hα-helixtrans-74.2-38.9177.200000115.6L610L610-G614 PolarHBondContact O-N 2.95Å
615F41Very low53.3Low132 Ų132101.8 Ų101.858%0.57954%0.543SS*.Hα-helixtrans-88-13.5177.5-79.8-95.3000113.7L611 M617 F618 M619L611-F615 HydrophobicContact CB-CD2 4.26Å; L611-F615 HydrophobicContact CD2-CD2 3.82Å; L611-F615 HydrophobicContact CD2-CE2 3.52Å; L611-F615 WeakPolarHBondContact O-CA 3.49Å; L611-F615 WeakPolarHBondContact O-CB 3.42Å; L611-F615 WeakPolarHBondContact O-CD2 3.47Å; L611-F615 PolarHBondContact O-N 2.96Å; F615-M617 PolarHBondContact O-N 3.07Å; F615-M617 VanDerWaalsContact O-N 3.17Å; F615-F618 PolarHBondContact O-N 3.06Å; F615-M619 PolarHBondContact O-N 3.27Å
616S44.1Very low54.7Low65 Ų65100.6 Ų100.646%0.45553%0.528SS..THydrogen-bonded Turntrans-62.2-17.8169.6178.20000112.2K612 F618K612-S616 WeakPolarHBondContact O-CA 3.39Å; K612-S616 WeakPolarHBondContact O-CB 3.21Å; K612-S616 PolarHBondContact O-N 2.7Å; S616-F618 PolarHBondContact O-N 3.08Å
617M48.9Very low56.4Low158 Ų15899.9 Ų99.978%0.77851%0.512SS*.THydrogen-bonded Turntrans-69.2-18170.8-154.6-176-69.500112.5F615F615-M617 PolarHBondContact O-N 3.07Å; F615-M617 VanDerWaalsContact O-N 3.17Å
618F48.8Very low58.5Low165 Ų16597.1 Ų97.172%0.72450%0.498SS*.THydrogen-bonded Turntrans-117.8-20-175.9-67.7-76.9000114.8F615 S616F615-F618 PolarHBondContact O-N 3.06Å; S616-F618 PolarHBondContact O-N 3.08Å
619M44.6Very low60.5Low132 Ų13295.3 Ų95.365%0.6549%0.486SS*.SBendtrans-132.3128.5174.6-68.6-131.1-77.400111.6F615 V621F615-M619 PolarHBondContact O-N 3.27Å; M619-V621 HydrophobicContact CB-CG2 3.9Å; M619-V621 PolarHBondContact O-N 2.85Å
620K46Very low62.5Low224 Ų22496.1 Ų96.197%0.97450%0.495SS*.  trans-74.663177.9-144180-167.3-177.80110.3
621V59Low64.9Low100 Ų10090.2 Ų90.261%0.60646%0.464SS*.PPolyproline II helixtrans-83.1122.6177.7-172.20000108.3M619 R623M619-V621 HydrophobicContact CB-CG2 3.9Å; M619-V621 PolarHBondContact O-N 2.85Å; V621-R623 PolarHBondContact O-N 2.79Å
622S66.1Low67.4Low96 Ų9686.5 Ų86.567%0.67144%0.444SS*.PPolyproline II helixtrans-63.9128.3175.354.10000110.1
623R77.4Confident69.8Low152 Ų15281 Ų8157%0.57442%0.42SS*.PPolyproline II helixtrans-60.8138.6171.8-71.1174.7175.4-169.3-5.8109.8E596 V621 R625E596-R623 WeakPolarHBondContact OE1-CD 3.47Å; E596-R623 IonicContact OE1-CZ 3.89Å; E596-R623 IonicContact OE1-NE 2.84Å; E596-R623 IonicContact OE1-NH1 3.37Å; E596-R623 PolarHBondContact OE1-NH1 3.28Å; V621-R623 PolarHBondContact O-N 2.79Å; R623-R625 WeakPolarHBondContact O-CG 3.37Å
624P87.4Confident72.3Confident36 Ų3676.7 Ų76.723%0.23439%0.394CS..PPolyproline II helixtrans-60.7150.5176.7-18.630.4000112.1E227 F229E227-P624 HydrophobicContact CG-CB 4.39Å; E227-P624 WeakPolarHBondContact OE1-CB 3.44Å; E227-P624 VanDerWaalsContact OE1-CG 3.28Å; E227-P624 WeakPolarHBondContact OE1-CG 3.49Å; F229-P624 HydrophobicContact CZ-CB 4.38Å
625R88.9Confident75Confident68 Ų6874.7 Ų74.726%0.25737%0.374SS..  trans-132.4148.2-176.8-55.2-179.3-177.2-162.70.4110.8R594 R623 R627 D628R594-R625 VanDerWaalsContact CB-NH1 3.28Å; R594-R625 PolarHBondContact O-NH1 3.35Å; R623-R625 WeakPolarHBondContact O-CG 3.37Å; R625-R627 PolarHBondContact O-N 3.03Å; R625-R627 VanDerWaalsContact O-N 3.08Å; R625-D628 PolarHBondContact N-OD2 3.29Å; R625-D628 VanDerWaalsContact O-CB 3.3Å; R625-D628 WeakPolarHBondContact O-CB 3.48Å; R625-D628 PolarHBondContact O-N 3.28Å
626P91.7Very high77.8Confident13 Ų1368.5 Ų68.58%0.08435%0.347CS..G310 helixtrans-56.1-36-177.3-26.633.6000113.7F229 S260 I262 V589 I600 D628 L632F229-P626 HydrophobicContact CD1-CG 3.88Å; F229-P626 HydrophobicContact CD2-CB 4.32Å; F229-P626 HydrophobicContact CD2-CG 3.94Å; F229-P626 HydrophobicContact CE1-CG 3.96Å; F229-P626 HydrophobicContact CE2-CB 4.26Å; F229-P626 HydrophobicContact CE2-CG 4.04Å; F229-P626 HydrophobicContact CG-CG 3.88Å; F229-P626 HydrophobicContact CZ-CG 4.06Å; S260-P626 WeakPolarHBondContact CB-O 3.31Å; S260-P626 WeakPolarHBondContact OG-CA 3.17Å; S260-P626 PolarHBondContact OG-O 3.14Å; I262-P626 HydrophobicContact CD1-CB 3.75Å; I262-P626 HydrophobicContact CD1-CG 3.79Å; I262-P626 HydrophobicContact CG1-CB 4.08Å; I262-P626 HydrophobicContact CG1-CG 4.11Å; V589-P626 HydrophobicContact CG1-CB 4.04Å; V589-P626 HydrophobicContact CG2-CB 4.08Å; V589-P626 HydrophobicContact CG2-CG 4.12Å; I600-P626 HydrophobicContact CG2-CG 3.93Å; P626-D628 VanDerWaalsContact C-N 3.28Å; P626-D628 PolarHBondContact O-N 3.11Å; P626-L632 HydrophobicContact CB-CD1 4.03Å
627R89.4Confident80.4Confident29 Ų2965.4 Ų65.411%0.10933%0.325CS..G310 helixtrans-80-0.1-179.769.5133.2-178.9-99.3-43.9115.8V589 F590 H591 R625 N629V589-R627 HydrophobicContact CG1-CB 4.01Å; V589-R627 WeakPolarHBondContact O-CB 3.41Å; V589-R627 WeakPolarHBondContact O-CG 3.46Å; F590-R627 HydrophobicContact CD1-CB 4.4Å; F590-R627 HydrophobicContact CE1-CB 4.34Å; H591-R627 PolarHBondContact O-NH1 3.42Å; R625-R627 PolarHBondContact O-N 3.03Å; R625-R627 VanDerWaalsContact O-N 3.08Å; R627-N629 PolarHBondContact O-N 2.89Å
628D87.8Confident82.6Confident79 Ų7957.9 Ų57.942%0.42229%0.288SS..G310 helixtrans-70.5-17.6178.1-66.8-19.3000111.5R625 P626R625-D628 PolarHBondContact N-OD2 3.29Å; R625-D628 VanDerWaalsContact O-CB 3.3Å; R625-D628 WeakPolarHBondContact O-CB 3.48Å; R625-D628 PolarHBondContact O-N 3.28Å; P626-D628 VanDerWaalsContact C-N 3.28Å; P626-D628 PolarHBondContact O-N 3.11Å
629N88.8Confident85Confident21 Ų2150 Ų5011%0.11225%0.254CS..SBendtrans-106.7150176-59.6-61.2000111.2E227 K258 S260 R627 L631E227-N629 PolarHBondContact OE2-ND2 3.46Å; K258-N629 HydrophobicContact CB-CB 4.38Å; K258-N629 VanDerWaalsContact CB-OD1 3.3Å; K258-N629 WeakPolarHBondContact CB-OD1 3.12Å; S260-N629 PolarHBondContact OG-ND2 3.48Å; R627-N629 PolarHBondContact O-N 2.89Å; N629-L631 VanDerWaalsContact C-N 3.34Å; N629-L631 PolarHBondContact O-N 3.32Å
630P86.3Confident87.5Confident81 Ų8143.8 Ų43.853%0.52622%0.223SC..SBendtrans-73.7-22.8-174.728.9-36000114.2
631L90.7Very high89.9Confident13 Ų1333.2 Ų33.27%0.06818%0.177CC..EExtended strand (participates in β ladder)trans-114.5130.9179.1179.461.1000109.4F7 M224 A259 S260 N629 F633 Q660 L662F7-L631 HydrophobicContact CD2-CD2 4Å; F7-L631 HydrophobicContact CE1-CD2 4.34Å; F7-L631 HydrophobicContact CE2-CD2 3.34Å; F7-L631 HydrophobicContact CZ-CD2 3.56Å; M224-L631 HydrophobicContact SD-CD2 4.07Å; A259-L631 CarbonylContact C-O 3.59Å; A259-L631 VanDerWaalsContact CA-O 3.26Å; A259-L631 WeakPolarHBondContact CA-O 3.26Å; A259-L631 HydrophobicContact CB-CB 3.96Å; A259-L631 HydrophobicContact CB-CD2 4.2Å; A259-L631 HydrophobicContact CB-CG 4.13Å; A259-L631 WeakPolarHBondContact CB-O 3.16Å; S260-L631 PolarHBondContact N-O 3.24Å; N629-L631 VanDerWaalsContact C-N 3.34Å; N629-L631 PolarHBondContact O-N 3.32Å; L631-F633 HydrophobicContact CD2-CE1 4.41Å; L631-F633 HydrophobicContact CD2-CE2 3.55Å; L631-F633 HydrophobicContact CD2-CZ 3.44Å; L631-F633 VanDerWaalsContact CD2-CZ 3.44Å; L631-F633 HydrophobicContact CG-CD2 4.42Å; L631-F633 HydrophobicContact CG-CE2 3.78Å; L631-F633 HydrophobicContact CG-CZ 3.94Å; L631-Q660 HydrophobicContact CD1-CB 3.95Å; L631-Q660 HydrophobicContact CD1-CG 4.04Å; L631-L662 HydrophobicContact CD1-CD1 4.14Å; L631-L662 HydrophobicContact CD1-CG 4.24Å
632L95Very high91.7Very high3 Ų328.4 Ų28.42%0.01615%0.148CC..EExtended strand (participates in β ladder)trans-117.9128.5177177.365.6000109.9S260 I262 V589 F590 P626 L634 Q660 V661 L662S260-L632 CarbonylContact O-C 3.5Å; S260-L632 WeakPolarHBondContact O-CA 3.09Å; I262-L632 HydrophobicContact CD1-CD1 3.91Å; I262-L632 HydrophobicContact CG1-CD1 3.93Å; V589-L632 HydrophobicContact CG1-CD2 4.08Å; F590-L632 HydrophobicContact CE2-CD2 4.13Å; F590-L632 HydrophobicContact CZ-CD2 3.83Å; P626-L632 HydrophobicContact CB-CD1 4.03Å; L632-L634 HydrophobicContact CD2-CD2 4.15Å; L632-L634 HydrophobicContact CG-CD2 4.23Å; L632-Q660 PolarHBondContact N-O 2.95Å; L632-Q660 VanDerWaalsContact N-O 3.15Å; L632-V661 HydrophobicContact CB-CG2 4.19Å; L632-V661 HydrophobicContact CD2-CG1 4.31Å; L632-V661 HydrophobicContact CD2-CG2 4.13Å; L632-V661 HydrophobicContact CG-CG1 4.42Å; L632-V661 CarbonylContact O-C 3.55Å; L632-V661 VanDerWaalsContact O-CA 3.3Å; L632-V661 WeakPolarHBondContact O-CA 3.42Å; L632-L662 PolarHBondContact O-N 3.45Å
633F96.8Very high93Very high1 Ų124.6 Ų24.60%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-102.3131.9167.6-63.3-79000109.7F7 F219 M224 A259 S260 I261 I262 L631 L662 L664F7-F633 HydrophobicContact CD1-CE1 4.15Å; F7-F633 AromaticContact CD1-CZ 3.75Å; F7-F633 HydrophobicContact CD1-CZ 3.75Å; F7-F633 HydrophobicContact CE1-CE1 4.43Å; F7-F633 HydrophobicContact CE1-CE2 4.46Å; F7-F633 AromaticContact CE1-CZ 3.59Å; F7-F633 HydrophobicContact CE1-CZ 3.59Å; F7-F633 HydrophobicContact CG-CZ 4.37Å; F7-F633 HydrophobicContact CZ-CZ 4.03Å; F219-F633 HydrophobicContact CE1-CE2 4.33Å; M224-F633 HydrophobicContact CE-CD2 4.37Å; M224-F633 HydrophobicContact CE-CE2 3.33Å; M224-F633 HydrophobicContact CE-CZ 3.64Å; M224-F633 HydrophobicContact SD-CE2 3.73Å; M224-F633 HydrophobicContact SD-CZ 4.2Å; A259-F633 HydrophobicContact CB-CD2 3.9Å; A259-F633 HydrophobicContact CB-CE2 3.56Å; S260-F633 PolarHBondContact O-N 3.25Å; I261-F633 CarbonylContact C-O 3.51Å; I261-F633 WeakPolarHBondContact CA-O 3.46Å; I261-F633 HydrophobicContact CB-CB 3.95Å; I261-F633 HydrophobicContact CD1-CB 4.17Å; I261-F633 HydrophobicContact CG1-CB 3.83Å; I262-F633 PolarHBondContact N-O 3.01Å; L631-F633 HydrophobicContact CD2-CE1 4.41Å; L631-F633 HydrophobicContact CD2-CE2 3.55Å; L631-F633 HydrophobicContact CD2-CZ 3.44Å; L631-F633 VanDerWaalsContact CD2-CZ 3.44Å; L631-F633 HydrophobicContact CG-CD2 4.42Å; L631-F633 HydrophobicContact CG-CE2 3.78Å; L631-F633 HydrophobicContact CG-CZ 3.94Å; F633-L662 CarbonylContact C-O 3.49Å; F633-L662 VanDerWaalsContact CA-O 3.31Å; F633-L662 WeakPolarHBondContact CA-O 3.14Å; F633-L662 HydrophobicContact CD1-CB 3.7Å; F633-L662 HydrophobicContact CD1-CD1 4.35Å; F633-L662 HydrophobicContact CE1-CB 3.81Å; F633-L662 HydrophobicContact CE1-CD1 3.59Å; F633-L662 HydrophobicContact CE1-CG 4.28Å; F633-L662 HydrophobicContact CZ-CD1 4.22Å; F633-L664 HydrophobicContact CB-CD1 4.05Å; F633-L664 HydrophobicContact CD1-CD1 3.24Å; F633-L664 HydrophobicContact CE1-CD1 3.98Å; F633-L664 HydrophobicContact CG-CD1 4Å
634L98.4Very high94Very high1 Ų117.6 Ų17.61%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-103.9115.3163.8-56.8-178.6000107.2I262 I264 L586 L632 L636 V648 V661 L662 V663 L664I262-L634 HydrophobicContact CB-CD2 4.22Å; I262-L634 HydrophobicContact CD1-CD2 4.07Å; I262-L634 HydrophobicContact CG1-CD2 4.45Å; I264-L634 HydrophobicContact CD1-CB 4.45Å; I264-L634 HydrophobicContact CD1-CD2 4.23Å; L586-L634 HydrophobicContact CD2-CD1 4.22Å; L632-L634 HydrophobicContact CD2-CD2 4.15Å; L632-L634 HydrophobicContact CG-CD2 4.23Å; L634-L636 HydrophobicContact CB-CD1 3.83Å; L634-V648 HydrophobicContact CD1-CG1 4.18Å; L634-V648 HydrophobicContact CD1-CG2 4.01Å; L634-V661 HydrophobicContact CD1-CG1 4.04Å; L634-V661 HydrophobicContact CG-CG1 3.98Å; L634-L662 PolarHBondContact N-O 3.05Å; L634-V663 CarbonylContact O-C 3.27Å; L634-V663 WeakPolarHBondContact O-CA 3.37Å; L634-L664 PolarHBondContact O-N 3.22Å; L634-L664 VanDerWaalsContact O-O 3.08Å
635F98.6Very high94.4Very high0 Ų015.9 Ų15.90%08%0.084CC..EExtended strand (participates in β ladder)trans-102.7110.4175.3-167.5-64.6000109.5L211 L215 I261 I262 F263 I264 V637 L664 T666L211-F635 HydrophobicContact CD1-CE2 4.17Å; L211-F635 HydrophobicContact CD1-CZ 3.9Å; L211-F635 HydrophobicContact CD2-CE1 4.3Å; L211-F635 HydrophobicContact CD2-CZ 3.87Å; L211-F635 HydrophobicContact CG-CZ 4.42Å; L215-F635 HydrophobicContact CD1-CD2 4.28Å; L215-F635 HydrophobicContact CD1-CE2 4.09Å; L215-F635 HydrophobicContact CD2-CD2 4.11Å; L215-F635 HydrophobicContact CD2-CE2 3.95Å; L215-F635 HydrophobicContact CG-CE2 4.42Å; I261-F635 HydrophobicContact CD1-CB 4.06Å; I261-F635 HydrophobicContact CD1-CD2 4.41Å; I261-F635 HydrophobicContact CG1-CB 4.24Å; I262-F635 PolarHBondContact O-N 3.31Å; F263-F635 CarbonylContact C-O 3.51Å; F263-F635 WeakPolarHBondContact CA-O 3.25Å; F263-F635 HydrophobicContact CD1-CB 3.61Å; F263-F635 AromaticContact CD1-CD1 3.72Å; F263-F635 HydrophobicContact CD1-CD1 3.72Å; F263-F635 HydrophobicContact CD1-CD2 4.36Å; F263-F635 AromaticContact CD1-CG 3.62Å; F263-F635 HydrophobicContact CD1-CG 3.62Å; F263-F635 HydrophobicContact CE1-CB 3.82Å; F263-F635 AromaticContact CE1-CD1 3.97Å; F263-F635 HydrophobicContact CE1-CD1 3.97Å; F263-F635 AromaticContact CE1-CD2 3.85Å; F263-F635 HydrophobicContact CE1-CD2 3.85Å; F263-F635 HydrophobicContact CE1-CE2 4.48Å; F263-F635 AromaticContact CE1-CG 3.59Å; F263-F635 HydrophobicContact CE1-CG 3.59Å; F263-F635 HydrophobicContact CG-CB 4.2Å; I264-F635 PolarHBondContact N-O 3.3Å; F635-V637 HydrophobicContact CD1-CG2 3.82Å; F635-V637 HydrophobicContact CE1-CG2 4.03Å; F635-L664 CarbonylContact C-O 3.52Å; F635-L664 VanDerWaalsContact CA-O 3.29Å; F635-L664 WeakPolarHBondContact CA-O 3.28Å; F635-L664 HydrophobicContact CB-CB 4.25Å; F635-L664 HydrophobicContact CD2-CB 3.43Å; F635-L664 VanDerWaalsContact CD2-CB 3.43Å; F635-L664 HydrophobicContact CD2-CD2 3.96Å; F635-L664 HydrophobicContact CD2-CG 4.3Å; F635-L664 HydrophobicContact CE2-CB 3.93Å; F635-L664 HydrophobicContact CE2-CD2 4.18Å; F635-L664 HydrophobicContact CG-CB 4.02Å; F635-T666 HydrophobicContact CE1-CG2 4.19Å
636L98.7Very high94.7Very high2 Ų214.3 Ų14.31%0.018%0.078CC..EExtended strand (participates in β ladder)trans-95.1106.2-177.4-80.550.4000109.5I264 L582 L634 G638 G639 V640 V663 L664 S665 T666I264-L636 HydrophobicContact CB-CD1 4.41Å; I264-L636 HydrophobicContact CD1-CD1 4Å; L582-L636 HydrophobicContact CD1-CD2 3.87Å; L582-L636 HydrophobicContact CD2-CD1 4.13Å; L582-L636 HydrophobicContact CD2-CD2 4.29Å; L582-L636 HydrophobicContact CD2-CG 4.35Å; L634-L636 HydrophobicContact CB-CD1 3.83Å; L636-G638 PolarHBondContact O-N 3.13Å; L636-G639 PolarHBondContact O-N 3.29Å; L636-V640 HydrophobicContact CB-CB 4.44Å; L636-V640 HydrophobicContact CD2-CB 3.45Å; L636-V640 VanDerWaalsContact CD2-CB 3.45Å; L636-V640 HydrophobicContact CD2-CG2 3.33Å; L636-V663 HydrophobicContact CD2-CG1 4.35Å; L636-L664 PolarHBondContact N-O 3.04Å; L636-S665 WeakPolarHBondContact O-CA 3.31Å; L636-S665 PolarHBondContact O-OG 3.1Å; L636-T666 PolarHBondContact O-N 2.76Å
637V98.4Very high94.9Very high0 Ų014.7 Ų14.70%08%0.079CC..EExtended strand (participates in β ladder)trans-81.3112.3179.3-175.10000108.5L168 P170 M234 I238 F263 I264 R266 F635L168-V637 HydrophobicContact CG-CG1 4.32Å; P170-V637 WeakPolarHBondContact CD-O 3.45Å; P170-V637 HydrophobicContact CG-CG1 4.37Å; P170-V637 WeakPolarHBondContact CG-O 3.25Å; M234-V637 HydrophobicContact CG-CG1 3.95Å; I238-V637 HydrophobicContact CD1-CG1 3.89Å; I238-V637 HydrophobicContact CD1-CG2 3.77Å; F263-V637 HydrophobicContact CD1-CG2 4.39Å; I264-V637 PolarHBondContact O-N 2.92Å; R266-V637 WeakPolarHBondContact CB-O 3.31Å; R266-V637 PolarHBondContact N-O 3.3Å; F635-V637 HydrophobicContact CD1-CG2 3.82Å; F635-V637 HydrophobicContact CE1-CG2 4.03Å
638G96.9Very high95.3Very high0 Ų013.4 Ų13.40%07%0.074CC..THydrogen-bonded Turntrans100.83.5-174.600000114.4L168 L636 T666L168-G638 PolarHBondContact O-N 3.36Å; L636-G638 PolarHBondContact O-N 3.13Å; G638-T666 WeakPolarHBondContact CA-OG1 3.42Å; G638-T666 PolarHBondContact N-OG1 2.76Å
639G97.3Very high95.6Very high0 Ų013.9 Ų13.90%07%0.073CC..  trans112.9164.8165.700000116R266 L636 S665 T666 R667R266-G639 WeakPolarHBondContact CD-O 3.18Å; R266-G639 PolarHBondContact NH1-O 3.41Å; L636-G639 PolarHBondContact O-N 3.29Å; G639-S665 WeakPolarHBondContact CA-OG 3.5Å; G639-T666 PolarHBondContact N-OG1 3.19Å; G639-T666 VanDerWaalsContact N-OG1 3.12Å; G639-R667 VanDerWaalsContact CA-O 3.26Å; G639-R667 WeakPolarHBondContact CA-O 3.43Å
640V97.7Very high95.9Very high1 Ų116.7 Ų16.71%0.0069%0.088CC..BIsolated β-bridgetrans-131.7145.517865.90000111.4L159 L636 E644 L645 V663 S665 R667 L668 L669L159-V640 HydrophobicContact CD1-CG1 3.84Å; L159-V640 HydrophobicContact CD2-CG1 4.28Å; L636-V640 HydrophobicContact CB-CB 4.44Å; L636-V640 HydrophobicContact CD2-CB 3.45Å; L636-V640 VanDerWaalsContact CD2-CB 3.45Å; L636-V640 HydrophobicContact CD2-CG2 3.33Å; V640-E644 WeakPolarHBondContact CA-OE2 3.22Å; V640-E644 HydrophobicContact CG2-CB 3.8Å; V640-L645 HydrophobicContact CG1-CD2 4.19Å; V640-L645 HydrophobicContact CG2-CD2 3.91Å; V640-L645 HydrophobicContact CG2-CG 4.23Å; V640-V663 HydrophobicContact CG1-CG1 4.4Å; V640-V663 HydrophobicContact CG2-CG1 4.24Å; V640-S665 PolarHBondContact N-OG 2.81Å; V640-R667 PolarHBondContact N-O 3.27Å; V640-L668 HydrophobicContact CG1-CD1 4.28Å; V640-L668 CarbonylContact O-C 3.59Å; V640-L668 WeakPolarHBondContact O-CA 3.32Å; V640-L669 PolarHBondContact O-N 2.95Å
641T96.4Very high96.3Very high1 Ų113 Ų131%0.0066%0.064CC..  trans-93.9157.1173.373.80000112.9A273 S643 E644 L645 L669A273-T641 HydrophobicContact CB-CG2 4.21Å; T641-S643 VanDerWaalsContact C-N 3.26Å; T641-S643 PolarHBondContact O-N 3.34Å; T641-E644 PolarHBondContact N-OE2 3.38Å; T641-E644 WeakPolarHBondContact O-CB 3.49Å; T641-E644 PolarHBondContact O-N 3.24Å; T641-E644 VanDerWaalsContact O-N 3.12Å; T641-E644 WeakPolarHBondContact OG1-CG 3.42Å; T641-E644 PolarHBondContact OG1-N 3.1Å; T641-E644 VanDerWaalsContact OG1-N 3.13Å; T641-L645 PolarHBondContact O-N 2.81Å; T641-L645 VanDerWaalsContact O-N 3.11Å; T641-L669 HydrophobicContact CG2-CB 4.14Å
642P96Very high96.5Very high0 Ų012.9 Ų12.90%06%0.064CC..Hα-helixtrans-57.6-36.5171.7-24.633.8000113.6A282 E283 L286 L340 E644 L645 R646 L668A282-P642 HydrophobicContact CB-CB 4.44Å; E283-P642 HydrophobicContact CB-CB 4.08Å; E283-P642 HydrophobicContact CB-CG 3.96Å; L286-P642 HydrophobicContact CD1-CG 3.84Å; L340-P642 HydrophobicContact CD2-CB 4.13Å; L340-P642 HydrophobicContact CD2-CG 4.34Å; P642-E644 VanDerWaalsContact C-N 3.32Å; P642-E644 PolarHBondContact O-N 2.57Å; P642-L645 WeakPolarHBondContact O-CB 3.42Å; P642-L645 PolarHBondContact O-N 3.06Å; P642-R646 PolarHBondContact O-N 2.62Å; P642-R646 VanDerWaalsContact O-N 3.11Å; P642-L668 HydrophobicContact CG-CD1 4.04Å; P642-L668 HydrophobicContact CG-CG 4.44Å
643S95.1Very high96.4Very high15 Ų1515.6 Ų15.611%0.1059%0.086CC..Hα-helixtrans-64-35.8175-82.50000113.1G278 E283 T641 R646 L647G278-S643 WeakPolarHBondContact CA-OG 3.34Å; E283-S643 WeakPolarHBondContact OE2-CB 3.41Å; E283-S643 PolarHBondContact OE2-N 3.24Å; E283-S643 PolarHBondContact OE2-OG 2.86Å; T641-S643 VanDerWaalsContact C-N 3.26Å; T641-S643 PolarHBondContact O-N 3.34Å; S643-R646 PolarHBondContact O-N 2.76Å; S643-L647 WeakPolarHBondContact O-CB 3.36Å; S643-L647 PolarHBondContact O-N 3.18Å
644E97Very high96.3Very high6 Ų619.5 Ų19.53%0.02812%0.118CC..Hα-helixtrans-67.1-37.9172.7-75.7178.513500112.4R266 L582 V640 T641 P642 R646 L647 V648R266-E644 IonicContact CZ-OE1 3.61Å; R266-E644 IonicContact CZ-OE2 2.69Å; R266-E644 IonicContact NH1-OE1 3.52Å; R266-E644 PolarHBondContact NH1-OE1 3.44Å; R266-E644 IonicContact NH1-OE2 3.62Å; R266-E644 PolarHBondContact NH1-OE2 3.26Å; R266-E644 IonicContact NH2-OE1 2.8Å; R266-E644 PolarHBondContact NH2-OE1 3.2Å; L582-E644 HydrophobicContact CD1-CB 3.73Å; L582-E644 HydrophobicContact CD1-CG 3.81Å; V640-E644 WeakPolarHBondContact CA-OE2 3.22Å; V640-E644 HydrophobicContact CG2-CB 3.8Å; T641-E644 PolarHBondContact N-OE2 3.38Å; T641-E644 WeakPolarHBondContact O-CB 3.49Å; T641-E644 PolarHBondContact O-N 3.24Å; T641-E644 VanDerWaalsContact O-N 3.12Å; T641-E644 WeakPolarHBondContact OG1-CG 3.42Å; T641-E644 PolarHBondContact OG1-N 3.1Å; T641-E644 VanDerWaalsContact OG1-N 3.13Å; P642-E644 VanDerWaalsContact C-N 3.32Å; P642-E644 PolarHBondContact O-N 2.57Å; E644-R646 PolarHBondContact O-N 3.14Å; E644-L647 WeakPolarHBondContact O-CB 3.39Å; E644-L647 PolarHBondContact O-N 3.45Å; E644-V648 VanDerWaalsContact O-CG2 3.32Å; E644-V648 WeakPolarHBondContact O-CG2 3.47Å; E644-V648 PolarHBondContact O-N 3.42Å
645L96.1Very high96.1Very high0 Ų022.9 Ų22.90%014%0.136CC..Hα-helixtrans-60-47.9174.5-61.9174.3000111.3L159 L340 V640 T641 P642 L647 V648 K649 V663 L668L159-L645 HydrophobicContact CB-CD1 4.23Å; L159-L645 HydrophobicContact CB-CD2 4.15Å; L159-L645 HydrophobicContact CD1-CD2 4.17Å; L159-L645 HydrophobicContact CD2-CD1 3.73Å; L159-L645 HydrophobicContact CD2-CD2 4.36Å; L159-L645 HydrophobicContact CG-CD2 4.45Å; L340-L645 HydrophobicContact CD2-CD1 4.41Å; V640-L645 HydrophobicContact CG1-CD2 4.19Å; V640-L645 HydrophobicContact CG2-CD2 3.91Å; V640-L645 HydrophobicContact CG2-CG 4.23Å; T641-L645 PolarHBondContact O-N 2.81Å; T641-L645 VanDerWaalsContact O-N 3.11Å; P642-L645 WeakPolarHBondContact O-CB 3.42Å; P642-L645 PolarHBondContact O-N 3.06Å; L645-L647 VanDerWaalsContact C-N 3.33Å; L645-L647 PolarHBondContact O-N 2.82Å; L645-V648 PolarHBondContact O-N 2.93Å; L645-K649 PolarHBondContact O-N 2.83Å; L645-V663 HydrophobicContact CD2-CB 3.89Å; L645-V663 HydrophobicContact CD2-CG1 3.91Å; L645-V663 HydrophobicContact CD2-CG2 3.98Å; L645-L668 HydrophobicContact CD1-CD1 4.15Å
646R95.8Very high95.6Very high35 Ų3526.6 Ų26.613%0.13215%0.153CC..Hα-helixtrans-59.8-45174.2-178.1-178.870.1-172.71.8111.2D279 T341 S342 K343 P642 S643 E644 V648 K649 D650D279-R646 PolarHBondContact O-NH1 2.9Å; T341-R646 WeakPolarHBondContact O-CG 3.24Å; S342-R646 PolarHBondContact O-NH1 2.86Å; K343-R646 VanDerWaalsContact CA-NH1 3.34Å; P642-R646 PolarHBondContact O-N 2.62Å; P642-R646 VanDerWaalsContact O-N 3.11Å; S643-R646 PolarHBondContact O-N 2.76Å; E644-R646 PolarHBondContact O-N 3.14Å; R646-V648 VanDerWaalsContact C-N 3.3Å; R646-V648 PolarHBondContact O-N 3.4Å; R646-K649 WeakPolarHBondContact O-CB 3.48Å; R646-K649 PolarHBondContact O-N 2.96Å; R646-D650 WeakPolarHBondContact CG-OD2 3.24Å; R646-D650 WeakPolarHBondContact O-CB 3.39Å; R646-D650 PolarHBondContact O-N 3.27Å
647L96.1Very high94.9Very high20 Ų2031.5 Ų31.511%0.10518%0.184CC..Hα-helixtrans-55.2-46.6177.6176.175000111.4P580 L582 R583 S643 E644 L645 T651P580-L647 HydrophobicContact CB-CD2 3.49Å; P580-L647 VanDerWaalsContact CB-CD2 3.49Å; P580-L647 HydrophobicContact CG-CD1 4.46Å; P580-L647 HydrophobicContact CG-CD2 3.99Å; L582-L647 HydrophobicContact CB-CD2 4.22Å; R583-L647 HydrophobicContact CB-CD1 4.24Å; R583-L647 HydrophobicContact CB-CD2 4.16Å; R583-L647 HydrophobicContact CB-CG 4.45Å; S643-L647 WeakPolarHBondContact O-CB 3.36Å; S643-L647 PolarHBondContact O-N 3.18Å; E644-L647 WeakPolarHBondContact O-CB 3.39Å; E644-L647 PolarHBondContact O-N 3.45Å; L645-L647 VanDerWaalsContact C-N 3.33Å; L645-L647 PolarHBondContact O-N 2.82Å; L647-T651 WeakPolarHBondContact O-CB 3.47Å; L647-T651 PolarHBondContact O-N 2.72Å; L647-T651 PolarHBondContact O-OG1 3.17Å
648V96.5Very high94Very high2 Ų235.7 Ų35.71%0.01223%0.228CC..Hα-helixtrans-60.7-49.4177.4173.40000109.9L582 L586 L634 E644 L645 R646 D650 T651 V652 V661 V663L582-V648 HydrophobicContact CD1-CG2 4.32Å; L586-V648 HydrophobicContact CD1-CB 4.25Å; L586-V648 HydrophobicContact CD1-CG1 4.18Å; L586-V648 HydrophobicContact CD1-CG2 4.11Å; L634-V648 HydrophobicContact CD1-CG1 4.18Å; L634-V648 HydrophobicContact CD1-CG2 4.01Å; E644-V648 VanDerWaalsContact O-CG2 3.32Å; E644-V648 WeakPolarHBondContact O-CG2 3.47Å; E644-V648 PolarHBondContact O-N 3.42Å; L645-V648 PolarHBondContact O-N 2.93Å; R646-V648 VanDerWaalsContact C-N 3.3Å; R646-V648 PolarHBondContact O-N 3.4Å; V648-D650 PolarHBondContact O-N 2.73Å; V648-T651 PolarHBondContact O-N 3.02Å; V648-V652 HydrophobicContact CG1-CG2 4.22Å; V648-V652 WeakPolarHBondContact O-CB 3.26Å; V648-V652 WeakPolarHBondContact O-CG2 3.45Å; V648-V652 PolarHBondContact O-N 2.99Å; V648-V661 HydrophobicContact CG1-CB 4.34Å; V648-V661 HydrophobicContact CG1-CG1 3.78Å; V648-V663 HydrophobicContact CG1-CG2 4.29Å; V648-V663 HydrophobicContact CG2-CG2 4.44Å
649K94.3Very high93.4Very high90 Ų9037 Ų3739%0.39124%0.236SC..Hα-helixtrans-55.8-52.1178.7-175.9-174.3178.6-172.30112T341 L645 R646 A653T341-K649 HydrophobicContact CG2-CD 4.11Å; T341-K649 PolarHBondContact OG1-NZ 3.26Å; L645-K649 PolarHBondContact O-N 2.83Å; R646-K649 WeakPolarHBondContact O-CB 3.48Å; R646-K649 PolarHBondContact O-N 2.96Å; K649-A653 VanDerWaalsContact O-CB 3.3Å; K649-A653 WeakPolarHBondContact O-CB 3.48Å; K649-A653 PolarHBondContact O-N 3.27Å
650D95.1Very high92.9Very high80 Ų8040.5 Ų40.543%0.42825%0.252SS..Hα-helixtrans-66.8-41.8-176.4-69.1-11.4000111.5R646 V648 A653 A654R646-D650 WeakPolarHBondContact CG-OD2 3.24Å; R646-D650 WeakPolarHBondContact O-CB 3.39Å; R646-D650 PolarHBondContact O-N 3.27Å; V648-D650 PolarHBondContact O-N 2.73Å; D650-A653 PolarHBondContact O-N 3.25Å; D650-A654 WeakPolarHBondContact O-CB 3.25Å; D650-A654 PolarHBondContact O-N 2.73Å
651T96.1Very high92.7Very high3 Ų341 Ų412%0.01826%0.255CS..Hα-helixtrans-68.5-42.9-178.8-56.50000111.2R583 L586 L647 V648 A654 L655R583-T651 HydrophobicContact CG-CG2 4.43Å; L586-T651 HydrophobicContact CB-CG2 3.87Å; L586-T651 HydrophobicContact CD1-CG2 4Å; L647-T651 WeakPolarHBondContact O-CB 3.47Å; L647-T651 PolarHBondContact O-N 2.72Å; L647-T651 PolarHBondContact O-OG1 3.17Å; V648-T651 PolarHBondContact O-N 3.02Å; T651-A654 PolarHBondContact O-N 3.12Å; T651-L655 HydrophobicContact CG2-CD1 3.61Å; T651-L655 HydrophobicContact CG2-CG 4.17Å; T651-L655 WeakPolarHBondContact O-CB 3.36Å; T651-L655 WeakPolarHBondContact O-CG 3.32Å; T651-L655 PolarHBondContact O-N 3.06Å
652V93.9Very high92.6Very high11 Ų1141.5 Ų41.57%0.06726%0.258CS..Hα-helixtrans-65.3-42.8176.4172.80000111.1L586 F590 V648 A654 L655 K656 V661L586-V652 HydrophobicContact CD1-CG2 4.28Å; L586-V652 HydrophobicContact CD2-CG2 3.88Å; F590-V652 HydrophobicContact CE2-CG2 4.16Å; V648-V652 HydrophobicContact CG1-CG2 4.22Å; V648-V652 WeakPolarHBondContact O-CB 3.26Å; V648-V652 WeakPolarHBondContact O-CG2 3.45Å; V648-V652 PolarHBondContact O-N 2.99Å; V652-A654 PolarHBondContact O-N 3.24Å; V652-L655 PolarHBondContact O-N 2.65Å; V652-K656 CarbonylContact O-C 3.56Å; V652-K656 VanDerWaalsContact O-C 3.27Å; V652-K656 PolarHBondContact O-N 2.8Å; V652-V661 HydrophobicContact CB-CG2 4.33Å; V652-V661 HydrophobicContact CG1-CG2 3.86Å; V652-V661 HydrophobicContact CG2-CB 4Å; V652-V661 HydrophobicContact CG2-CG1 4.5Å; V652-V661 HydrophobicContact CG2-CG2 3.5Å; V652-V661 VanDerWaalsContact CG2-CG2 3.5Å
653A93.6Very high92.6Very high60 Ų6041.5 Ų41.550%0.49626%0.258SS..Hα-helixtrans-60-34.8176.100000112.1K649 D650 P657K649-A653 VanDerWaalsContact O-CB 3.3Å; K649-A653 WeakPolarHBondContact O-CB 3.48Å; K649-A653 PolarHBondContact O-N 3.27Å; D650-A653 PolarHBondContact O-N 3.25Å; A653-P657 WeakPolarHBondContact O-CG 3.35Å
654A95.2Very high92.7Very high82 Ų8240.9 Ų40.968%0.67825%0.253SS*.Hα-helixtrans-77.4-46.317700000113.3D650 T651 V652D650-A654 WeakPolarHBondContact O-CB 3.25Å; D650-A654 PolarHBondContact O-N 2.73Å; T651-A654 PolarHBondContact O-N 3.12Å; V652-A654 PolarHBondContact O-N 3.24Å
655L92.9Very high92.8Very high73 Ų7340.6 Ų40.638%0.38225%0.252SS..Hα-helixtrans-80.1-39.7-172.7-66.9177.4000113.2L586 E587 F590 T651 V652L586-L655 HydrophobicContact CB-CD1 4.42Å; E587-L655 HydrophobicContact CB-CD1 4.49Å; E587-L655 HydrophobicContact CG-CD1 3.99Å; F590-L655 HydrophobicContact CB-CB 4.02Å; F590-L655 HydrophobicContact CB-CD1 4.24Å; T651-L655 HydrophobicContact CG2-CD1 3.61Å; T651-L655 HydrophobicContact CG2-CG 4.17Å; T651-L655 WeakPolarHBondContact O-CB 3.36Å; T651-L655 WeakPolarHBondContact O-CG 3.32Å; T651-L655 PolarHBondContact O-N 3.06Å; V652-L655 PolarHBondContact O-N 2.65Å
656K88Confident92.8Very high78 Ų7840.6 Ų40.634%0.33925%0.252SS..SBendtrans-15274.7-174.9-158.6-179.6167.8-166.20112.2F590 V652 G658 T659F590-K656 HydrophobicContact CB-CB 4.48Å; F590-K656 HydrophobicContact CD1-CB 4.07Å; F590-K656 HydrophobicContact CD1-CD 3.48Å; F590-K656 VanDerWaalsContact CD1-CD 3.48Å; F590-K656 HydrophobicContact CD1-CG 4.43Å; F590-K656 HydrophobicContact CE1-CD 3.81Å; F590-K656 HydrophobicContact CG-CB 4.23Å; F590-K656 HydrophobicContact CG-CD 4.39Å; V652-K656 CarbonylContact O-C 3.56Å; V652-K656 VanDerWaalsContact O-C 3.27Å; V652-K656 PolarHBondContact O-N 2.8Å; K656-G658 PolarHBondContact O-N 2.74Å; K656-T659 WeakPolarHBondContact CD-OG1 3.49Å; K656-T659 WeakPolarHBondContact CE-OG1 3.3Å; K656-T659 WeakPolarHBondContact CG-OG1 3.39Å; K656-T659 WeakPolarHBondContact O-CB 3.44Å; K656-T659 PolarHBondContact O-N 2.92Å; K656-T659 VanDerWaalsContact O-N 3.12Å; K656-T659 PolarHBondContact O-OG1 2.67Å
657P85.1Confident92.8Very high104 Ų10439.5 Ų39.568%0.67525%0.248SC*.THydrogen-bonded Turntrans-48.3137.7178.6-22.726.9000112.8A653 T659A653-P657 WeakPolarHBondContact O-CG 3.35Å; P657-T659 VanDerWaalsContact C-N 3.27Å; P657-T659 PolarHBondContact O-N 3.12Å
658G79.4Confident92.8Very high89 Ų8938.8 Ų38.892%0.91824%0.244SC*.THydrogen-bonded Turntrans80.2-2.3179.800000115.2K656K656-G658 PolarHBondContact O-N 2.74Å
659T84.7Confident92.7Very high27 Ų2738.7 Ų38.717%0.16624%0.244CC..  trans-76.9137.9168.3-54.80000110.1F590 K656 P657 V661F590-T659 HydrophobicContact CE1-CG2 3.83Å; F590-T659 HydrophobicContact CZ-CG2 3.79Å; K656-T659 WeakPolarHBondContact CD-OG1 3.49Å; K656-T659 WeakPolarHBondContact CE-OG1 3.3Å; K656-T659 WeakPolarHBondContact CG-OG1 3.39Å; K656-T659 WeakPolarHBondContact O-CB 3.44Å; K656-T659 PolarHBondContact O-N 2.92Å; K656-T659 VanDerWaalsContact O-N 3.12Å; K656-T659 PolarHBondContact O-OG1 2.67Å; P657-T659 VanDerWaalsContact C-N 3.27Å; P657-T659 PolarHBondContact O-N 3.12Å; T659-V661 HydrophobicContact CG2-CG2 4.38Å
660Q85.1Confident92.5Very high74 Ų7436.3 Ų36.335%0.34623%0.232SC..EExtended strand (participates in β ladder)trans-97.6119-179.9-155.4158.26000109.7A4 L631 L632A4-Q660 HydrophobicContact CB-CG 3.83Å; L631-Q660 HydrophobicContact CD1-CB 3.95Å; L631-Q660 HydrophobicContact CD1-CG 4.04Å; L632-Q660 PolarHBondContact N-O 2.95Å; L632-Q660 VanDerWaalsContact N-O 3.15Å
661V93.5Very high92.4Very high12 Ų1232.5 Ų32.57%0.07321%0.212CC..EExtended strand (participates in β ladder)trans-121.8118.3176.1-1770000108.5F590 L632 L634 V648 V652 T659F590-V661 HydrophobicContact CE2-CG2 4.21Å; F590-V661 HydrophobicContact CZ-CG2 4.05Å; L632-V661 HydrophobicContact CB-CG2 4.19Å; L632-V661 HydrophobicContact CD2-CG1 4.31Å; L632-V661 HydrophobicContact CD2-CG2 4.13Å; L632-V661 HydrophobicContact CG-CG1 4.42Å; L632-V661 CarbonylContact O-C 3.55Å; L632-V661 VanDerWaalsContact O-CA 3.3Å; L632-V661 WeakPolarHBondContact O-CA 3.42Å; L634-V661 HydrophobicContact CD1-CG1 4.04Å; L634-V661 HydrophobicContact CG-CG1 3.98Å; V648-V661 HydrophobicContact CG1-CB 4.34Å; V648-V661 HydrophobicContact CG1-CG1 3.78Å; V652-V661 HydrophobicContact CB-CG2 4.33Å; V652-V661 HydrophobicContact CG1-CG2 3.86Å; V652-V661 HydrophobicContact CG2-CB 4Å; V652-V661 HydrophobicContact CG2-CG1 4.5Å; V652-V661 HydrophobicContact CG2-CG2 3.5Å; V652-V661 VanDerWaalsContact CG2-CG2 3.5Å; T659-V661 HydrophobicContact CG2-CG2 4.38Å
662L94.6Very high92.1Very high11 Ų1134.6 Ų34.66%0.05823%0.229CC..EExtended strand (participates in β ladder)trans-106.4141.1176.4-66177.5000109.5A4 F7 Q157 L631 L632 F633 L634A4-L662 HydrophobicContact CB-CD1 4.43Å; A4-L662 HydrophobicContact CB-CD2 4.08Å; F7-L662 HydrophobicContact CB-CD1 3.73Å; F7-L662 HydrophobicContact CD2-CD1 4.22Å; F7-L662 HydrophobicContact CG-CD1 3.91Å; Q157-L662 WeakPolarHBondContact O-CD2 3.21Å; L631-L662 HydrophobicContact CD1-CD1 4.14Å; L631-L662 HydrophobicContact CD1-CG 4.24Å; L632-L662 PolarHBondContact O-N 3.45Å; F633-L662 CarbonylContact C-O 3.49Å; F633-L662 VanDerWaalsContact CA-O 3.31Å; F633-L662 WeakPolarHBondContact CA-O 3.14Å; F633-L662 HydrophobicContact CD1-CB 3.7Å; F633-L662 HydrophobicContact CD1-CD1 4.35Å; F633-L662 HydrophobicContact CE1-CB 3.81Å; F633-L662 HydrophobicContact CE1-CD1 3.59Å; F633-L662 HydrophobicContact CE1-CG 4.28Å; F633-L662 HydrophobicContact CZ-CD1 4.22Å; L634-L662 PolarHBondContact N-O 3.05Å
663V97.1Very high92.1Very high0 Ų034.1 Ų34.10%023%0.226CC..EExtended strand (participates in β ladder)trans-104.2125.2178.1-1760000108.5Q158 L159 I160 L634 L636 V640 L645 V648Q158-V663 HydrophobicContact CG-CG2 4.38Å; Q158-V663 PolarHBondContact O-N 3.19Å; L159-V663 WeakPolarHBondContact CA-O 3.32Å; L159-V663 HydrophobicContact CD1-CB 4.26Å; L159-V663 HydrophobicContact CD1-CG1 4.03Å; I160-V663 PolarHBondContact N-O 3.11Å; L634-V663 CarbonylContact O-C 3.27Å; L634-V663 WeakPolarHBondContact O-CA 3.37Å; L636-V663 HydrophobicContact CD2-CG1 4.35Å; V640-V663 HydrophobicContact CG1-CG1 4.4Å; V640-V663 HydrophobicContact CG2-CG1 4.24Å; L645-V663 HydrophobicContact CD2-CB 3.89Å; L645-V663 HydrophobicContact CD2-CG1 3.91Å; L645-V663 HydrophobicContact CD2-CG2 3.98Å; V648-V663 HydrophobicContact CG1-CG2 4.29Å; V648-V663 HydrophobicContact CG2-CG2 4.44Å
664L97.6Very high92.2Very high1 Ų131.2 Ų31.21%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-105.8145.3164.3-75.386.8000108.4F152 I160 L215 M218 F633 L634 F635 L636F152-L664 HydrophobicContact CE1-CD2 4.37Å; I160-L664 HydrophobicContact CB-CG 4.43Å; I160-L664 VanDerWaalsContact O-CA 3.28Å; I160-L664 WeakPolarHBondContact O-CA 3.45Å; L215-L664 HydrophobicContact CD2-CD2 3.72Å; M218-L664 HydrophobicContact CE-CD2 3.7Å; M218-L664 HydrophobicContact SD-CD2 4.24Å; F633-L664 HydrophobicContact CB-CD1 4.05Å; F633-L664 HydrophobicContact CD1-CD1 3.24Å; F633-L664 HydrophobicContact CE1-CD1 3.98Å; F633-L664 HydrophobicContact CG-CD1 4Å; L634-L664 PolarHBondContact O-N 3.22Å; L634-L664 VanDerWaalsContact O-O 3.08Å; F635-L664 CarbonylContact C-O 3.52Å; F635-L664 VanDerWaalsContact CA-O 3.29Å; F635-L664 WeakPolarHBondContact CA-O 3.28Å; F635-L664 HydrophobicContact CB-CB 4.25Å; F635-L664 HydrophobicContact CD2-CB 3.43Å; F635-L664 VanDerWaalsContact CD2-CB 3.43Å; F635-L664 HydrophobicContact CD2-CD2 3.96Å; F635-L664 HydrophobicContact CD2-CG 4.3Å; F635-L664 HydrophobicContact CE2-CB 3.93Å; F635-L664 HydrophobicContact CE2-CD2 4.18Å; F635-L664 HydrophobicContact CG-CB 4.02Å; L636-L664 PolarHBondContact N-O 3.04Å
665S97.9Very high92.3Very high1 Ų127.3 Ų27.31%0.00717%0.17CC..EExtended strand (participates in β ladder)trans-153157.7174.6-165.20000112I160 V161 A162 L636 G639 V640 R667I160-S665 PolarHBondContact O-N 3.47Å; I160-S665 VanDerWaalsContact O-N 3.08Å; V161-S665 CarbonylContact C-O 3.58Å; V161-S665 VanDerWaalsContact CA-O 3.25Å; V161-S665 WeakPolarHBondContact CA-O 3.37Å; A162-S665 PolarHBondContact N-O 3.42Å; L636-S665 WeakPolarHBondContact O-CA 3.31Å; L636-S665 PolarHBondContact O-OG 3.1Å; G639-S665 WeakPolarHBondContact CA-OG 3.5Å; V640-S665 PolarHBondContact N-OG 2.81Å; S665-R667 VanDerWaalsContact C-N 3.25Å; S665-R667 PolarHBondContact O-N 2.92Å; S665-R667 PolarHBondContact OG-O 3.4Å
666T96.9Very high92.3Very high0 Ų027.8 Ų27.80%017%0.171CC..SBendtrans-64.6-32.6172.151.70000111.8A162 F165 A166 L168 F635 L636 G638 G639A162-T666 CarbonylContact C-O 3.59Å; F165-T666 HydrophobicContact CB-CG2 4.38Å; F165-T666 VanDerWaalsContact O-CB 3.3Å; F165-T666 WeakPolarHBondContact O-CB 3.48Å; F165-T666 WeakPolarHBondContact O-CG2 3.14Å; A166-T666 WeakPolarHBondContact CA-O 3.16Å; L168-T666 HydrophobicContact CB-CG2 4.16Å; L168-T666 HydrophobicContact CD2-CG2 4.4Å; F635-T666 HydrophobicContact CE1-CG2 4.19Å; L636-T666 PolarHBondContact O-N 2.76Å; G638-T666 WeakPolarHBondContact CA-OG1 3.42Å; G638-T666 PolarHBondContact N-OG1 2.76Å; G639-T666 PolarHBondContact N-OG1 3.19Å; G639-T666 VanDerWaalsContact N-OG1 3.12Å
667R95.1Very high92.6Very high12 Ų1224.2 Ų24.25%0.04516%0.155CC..  trans-161.9163175.565.3-174.1-58-173.1-4.1112.9A166 V296 G639 V640 S665 L669 D673A166-R667 HydrophobicContact CB-CB 3.95Å; A166-R667 WeakPolarHBondContact O-CD 3.44Å; V296-R667 PolarHBondContact O-NH2 3.23Å; G639-R667 VanDerWaalsContact CA-O 3.26Å; G639-R667 WeakPolarHBondContact CA-O 3.43Å; V640-R667 PolarHBondContact N-O 3.27Å; S665-R667 VanDerWaalsContact C-N 3.25Å; S665-R667 PolarHBondContact O-N 2.92Å; S665-R667 PolarHBondContact OG-O 3.4Å; R667-L669 HydrophobicContact CG-CD2 3.83Å; R667-L669 HydrophobicContact CG-CG 4.27Å; R667-D673 IonicContact CZ-OD1 3.74Å; R667-D673 IonicContact CZ-OD2 3.65Å; R667-D673 IonicContact NH1-OD1 3.47Å; R667-D673 IonicContact NH2-OD1 2.74Å; R667-D673 PolarHBondContact NH2-OD1 3.14Å; R667-D673 IonicContact NH2-OD2 3.53Å; R667-D673 PolarHBondContact NH2-OD2 3.16Å
668L95.3Very high93.1Very high4 Ų419.3 Ų19.32%0.02112%0.123CC..BIsolated β-bridgetrans-81.9125.1161.6-168.861.9000108.3V155 L159 L286 T297 L340 V640 P642 L645V155-L668 HydrophobicContact CG1-CD2 4.41Å; L159-L668 HydrophobicContact CD2-CD1 3.83Å; L286-L668 HydrophobicContact CD1-CD2 3.51Å; L286-L668 HydrophobicContact CD1-CG 3.97Å; T297-L668 HydrophobicContact CG2-CB 3.65Å; T297-L668 HydrophobicContact CG2-CD2 4.39Å; L340-L668 HydrophobicContact CD2-CD2 4.45Å; V640-L668 HydrophobicContact CG1-CD1 4.28Å; V640-L668 CarbonylContact O-C 3.59Å; V640-L668 WeakPolarHBondContact O-CA 3.32Å; P642-L668 HydrophobicContact CG-CD1 4.04Å; P642-L668 HydrophobicContact CG-CG 4.44Å; L645-L668 HydrophobicContact CD1-CD1 4.15Å
669L94.3Very high93.8Very high1 Ų117 Ų171%0.0059%0.088CC..  trans-93.3146.7-172.3-73.6171.1000113R266 A273 V640 T641 R667 D673 I674 L677R266-L669 HydrophobicContact CG-CD1 4.44Å; A273-L669 HydrophobicContact CB-CD1 4.32Å; V640-L669 PolarHBondContact O-N 2.95Å; T641-L669 HydrophobicContact CG2-CB 4.14Å; R667-L669 HydrophobicContact CG-CD2 3.83Å; R667-L669 HydrophobicContact CG-CG 4.27Å; L669-D673 HydrophobicContact CD2-CB 3.86Å; L669-I674 HydrophobicContact CD1-CD1 3.87Å; L669-I674 HydrophobicContact CD2-CD1 4.17Å; L669-L677 HydrophobicContact CD2-CD1 3.97Å
670R91.8Very high94.1Very high39 Ų3917.2 Ų17.215%0.1479%0.091CC..  trans-109154.3157.9-55.5167.6-65.7176.36.3108.4L286 A672 D673L286-R670 HydrophobicContact CB-CG 3.85Å; L286-R670 WeakPolarHBondContact O-CD 3.27Å; L286-R670 WeakPolarHBondContact O-CG 3.4Å; R670-A672 PolarHBondContact O-N 3.27Å; R670-D673 VanDerWaalsContact CB-OD2 3.28Å; R670-D673 WeakPolarHBondContact CB-OD2 3.34Å; R670-D673 IonicContact CZ-OD1 4Å; R670-D673 PolarHBondContact N-OD2 3.42Å; R670-D673 IonicContact NE-OD1 2.87Å; R670-D673 PolarHBondContact NE-OD1 2.85Å; R670-D673 IonicContact NE-OD2 2.99Å; R670-D673 PolarHBondContact NE-OD2 3.06Å; R670-D673 VanDerWaalsContact NE-OD2 3.15Å; R670-D673 IonicContact NH2-OD1 3.53Å; R670-D673 PolarHBondContact NH2-OD1 2.84Å; R670-D673 WeakPolarHBondContact O-CB 3.09Å; R670-D673 PolarHBondContact O-N 3.33Å
671P91.9Very high94.3Very high1 Ų115 Ų151%0.0068%0.082CC..THydrogen-bonded Turntrans-52.5-42.7176.8-30.737.9000113.8A273 T287 W417 L474 D673 I674 P675A273-P671 WeakPolarHBondContact O-CA 3.49Å; T287-P671 WeakPolarHBondContact OG1-CD 3.42Å; W417-P671 HydrophobicContact CH2-CG 4.18Å; W417-P671 HydrophobicContact CZ3-CG 3.95Å; L474-P671 HydrophobicContact CD1-CB 4.12Å; L474-P671 HydrophobicContact CD2-CB 4.24Å; L474-P671 VanDerWaalsContact CD2-O 3.28Å; L474-P671 WeakPolarHBondContact CD2-O 3.29Å; P671-D673 PolarHBondContact O-N 3.24Å; P671-I674 PolarHBondContact O-N 2.91Å; P671-P675 WeakPolarHBondContact O-CD 3.43Å
672A89.6Confident94.1Very high46 Ų4621.2 Ų21.238%0.3811%0.11SC..THydrogen-bonded Turntrans-66-18.6179.800000114.6R670 I674 P675R670-A672 PolarHBondContact O-N 3.27Å; A672-I674 VanDerWaalsContact C-N 3.3Å; A672-I674 PolarHBondContact O-N 2.91Å; A672-P675 WeakPolarHBondContact O-CD 3.36Å
673D94.2Very high94.1Very high1 Ų121.9 Ų21.91%0.00511%0.112CC..Hα-helixtrans-70.5-28.8176.3-63-47.6000111.5R667 L669 R670 P671 E676 L677R667-D673 IonicContact CZ-OD1 3.74Å; R667-D673 IonicContact CZ-OD2 3.65Å; R667-D673 IonicContact NH1-OD1 3.47Å; R667-D673 IonicContact NH2-OD1 2.74Å; R667-D673 PolarHBondContact NH2-OD1 3.14Å; R667-D673 IonicContact NH2-OD2 3.53Å; R667-D673 PolarHBondContact NH2-OD2 3.16Å; L669-D673 HydrophobicContact CD2-CB 3.86Å; R670-D673 VanDerWaalsContact CB-OD2 3.28Å; R670-D673 WeakPolarHBondContact CB-OD2 3.34Å; R670-D673 IonicContact CZ-OD1 4Å; R670-D673 PolarHBondContact N-OD2 3.42Å; R670-D673 IonicContact NE-OD1 2.87Å; R670-D673 PolarHBondContact NE-OD1 2.85Å; R670-D673 IonicContact NE-OD2 2.99Å; R670-D673 PolarHBondContact NE-OD2 3.06Å; R670-D673 VanDerWaalsContact NE-OD2 3.15Å; R670-D673 IonicContact NH2-OD1 3.53Å; R670-D673 PolarHBondContact NH2-OD1 2.84Å; R670-D673 WeakPolarHBondContact O-CB 3.09Å; R670-D673 PolarHBondContact O-N 3.33Å; P671-D673 PolarHBondContact O-N 3.24Å; D673-E676 PolarHBondContact O-N 2.88Å; D673-L677 WeakPolarHBondContact O-CB 3.49Å; D673-L677 WeakPolarHBondContact O-CD1 3.48Å; D673-L677 VanDerWaalsContact O-CG 3.23Å; D673-L677 WeakPolarHBondContact O-CG 2.99Å; D673-L677 PolarHBondContact O-N 2.9Å
674I96.6Very high94Very high0 Ų023.1 Ų23.10%012%0.119CC..Hα-helixtrans-65.7-50.9-177.3-66-62.6000112.3F169 R266 L270 A273 V274 I477 L669 P671 A672 E676 L677 L678F169-I674 HydrophobicContact CE2-CD1 4.26Å; R266-I674 HydrophobicContact CG-CD1 4.09Å; L270-I674 HydrophobicContact CD2-CD1 4.09Å; L270-I674 HydrophobicContact CD2-CG2 4.03Å; A273-I674 HydrophobicContact CB-CD1 3.96Å; A273-I674 HydrophobicContact CB-CG1 3.81Å; V274-I674 HydrophobicContact CG1-CB 3.69Å; V274-I674 HydrophobicContact CG1-CG1 4.01Å; V274-I674 HydrophobicContact CG1-CG2 3.54Å; I477-I674 HydrophobicContact CD1-CG2 4.42Å; I477-I674 HydrophobicContact CG2-CG2 4.38Å; L669-I674 HydrophobicContact CD1-CD1 3.87Å; L669-I674 HydrophobicContact CD2-CD1 4.17Å; P671-I674 PolarHBondContact O-N 2.91Å; A672-I674 VanDerWaalsContact C-N 3.3Å; A672-I674 PolarHBondContact O-N 2.91Å; I674-E676 VanDerWaalsContact C-N 3.26Å; I674-E676 PolarHBondContact O-N 3.27Å; I674-L677 PolarHBondContact O-N 3.3Å; I674-L677 VanDerWaalsContact O-N 3.16Å; I674-L678 HydrophobicContact CG2-CD1 3.59Å; I674-L678 HydrophobicContact CG2-CG 4.11Å; I674-L678 WeakPolarHBondContact O-CB 3.5Å; I674-L678 WeakPolarHBondContact O-CG 3.47Å; I674-L678 PolarHBondContact O-N 3.09Å
675P96.1Very high93.8Very high0 Ų029.9 Ų29.90%014%0.144CC..Hα-helixtrans-52.4-41.3172.3-27.131.2000113.8I473 L474 I477 L521 P671 A672 L678 F679I473-P675 HydrophobicContact CG2-CB 4.1Å; I473-P675 HydrophobicContact CG2-CG 4.15Å; L474-P675 HydrophobicContact CD2-CG 3.54Å; L474-P675 HydrophobicContact CG-CG 4.38Å; I477-P675 HydrophobicContact CD1-CB 4.17Å; I477-P675 HydrophobicContact CD1-CG 3.64Å; L521-P675 HydrophobicContact CD1-CB 3.46Å; L521-P675 VanDerWaalsContact CD1-CB 3.46Å; L521-P675 HydrophobicContact CD2-CB 3.67Å; L521-P675 HydrophobicContact CD2-CG 4Å; L521-P675 HydrophobicContact CG-CB 4.22Å; P671-P675 WeakPolarHBondContact O-CD 3.43Å; A672-P675 WeakPolarHBondContact O-CD 3.36Å; P675-L678 PolarHBondContact O-N 3.25Å; P675-F679 HydrophobicContact CB-CD2 4.06Å; P675-F679 HydrophobicContact CB-CE2 4.1Å; P675-F679 WeakPolarHBondContact O-CB 3.38Å; P675-F679 WeakPolarHBondContact O-CD2 3.42Å; P675-F679 WeakPolarHBondContact O-CG 3.01Å; P675-F679 PolarHBondContact O-N 2.88Å
676E93.4Very high93.5Very high83 Ų8330.1 Ų30.139%0.38815%0.146SC..Iπ-helixtrans-64.1-43.3177.9-172.8-176.917800111.8D673 I674 S680 T681D673-E676 PolarHBondContact O-N 2.88Å; I674-E676 VanDerWaalsContact C-N 3.26Å; I674-E676 PolarHBondContact O-N 3.27Å; E676-S680 CarbonylContact O-C 3.2Å; E676-S680 WeakPolarHBondContact O-CA 3.48Å; E676-S680 WeakPolarHBondContact O-CB 3.44Å; E676-S680 PolarHBondContact O-N 3.21Å; E676-T681 PolarHBondContact O-N 3.36Å; E676-T681 PolarHBondContact O-OG1 3.11Å; E676-T681 VanDerWaalsContact O-OG1 3.11Å
677L95.3Very high93.1Very high3 Ų333.3 Ų33.32%0.01616%0.163CC..Iπ-helixtrans-67.2-34.4176.6-69.1166000112.8F169 L669 D673 I674 T681 R683F169-L677 HydrophobicContact CB-CB 4.5Å; F169-L677 HydrophobicContact CB-CD2 4.39Å; F169-L677 HydrophobicContact CD2-CB 3.67Å; F169-L677 HydrophobicContact CD2-CD1 3.82Å; F169-L677 HydrophobicContact CD2-CD2 4.33Å; F169-L677 HydrophobicContact CD2-CG 4.15Å; F169-L677 HydrophobicContact CE2-CB 3.92Å; F169-L677 HydrophobicContact CE2-CD1 4.05Å; F169-L677 HydrophobicContact CG-CB 3.98Å; F169-L677 HydrophobicContact CZ-CB 4.45Å; L669-L677 HydrophobicContact CD2-CD1 3.97Å; D673-L677 WeakPolarHBondContact O-CB 3.49Å; D673-L677 WeakPolarHBondContact O-CD1 3.48Å; D673-L677 VanDerWaalsContact O-CG 3.23Å; D673-L677 WeakPolarHBondContact O-CG 2.99Å; D673-L677 PolarHBondContact O-N 2.9Å; I674-L677 PolarHBondContact O-N 3.3Å; I674-L677 VanDerWaalsContact O-N 3.16Å; L677-T681 WeakPolarHBondContact CA-OG1 3.41Å; L677-R683 PolarHBondContact O-NH1 2.85Å; L677-R683 VanDerWaalsContact O-NH1 3.09Å
678L95.7Very high92.6Very high1 Ų133.3 Ų33.31%0.00516%0.164CC..Iπ-helixtrans-77.8-45.4179.6-74.5173.3000113F169 L172 L270 I477 L553 I674 P675 R683F169-L678 HydrophobicContact CE1-CD2 3.65Å; F169-L678 HydrophobicContact CE1-CG 4.35Å; F169-L678 HydrophobicContact CZ-CD2 4.05Å; F169-L678 HydrophobicContact CZ-CG 4.42Å; L172-L678 HydrophobicContact CD1-CD2 3.84Å; L172-L678 HydrophobicContact CD2-CD2 4.27Å; L270-L678 HydrophobicContact CD1-CD1 4.2Å; L270-L678 HydrophobicContact CD1-CD2 4.29Å; I477-L678 HydrophobicContact CD1-CD1 3.91Å; I477-L678 HydrophobicContact CG1-CD1 4.12Å; I477-L678 HydrophobicContact CG2-CD1 4.08Å; L553-L678 HydrophobicContact CD1-CD1 4.06Å; L553-L678 HydrophobicContact CD2-CD2 3.98Å; I674-L678 HydrophobicContact CG2-CD1 3.59Å; I674-L678 HydrophobicContact CG2-CG 4.11Å; I674-L678 WeakPolarHBondContact O-CB 3.5Å; I674-L678 WeakPolarHBondContact O-CG 3.47Å; I674-L678 PolarHBondContact O-N 3.09Å; P675-L678 PolarHBondContact O-N 3.25Å; L678-R683 PolarHBondContact O-NH1 3.12Å
679F94.1Very high91.8Very high39 Ų3933.2 Ų33.217%0.17116%0.164CC..Iπ-helixtrans-108-23.9-165.6-50.6-49.3000114I473 I477 L525 M546 T549 L550 P675I473-F679 HydrophobicContact CG2-CE2 3.79Å; I477-F679 HydrophobicContact CD1-CE2 3.88Å; I477-F679 HydrophobicContact CD1-CZ 4.08Å; I477-F679 HydrophobicContact CG1-CE2 4.28Å; I477-F679 HydrophobicContact CG1-CZ 4.01Å; L525-F679 HydrophobicContact CD1-CB 3.56Å; L525-F679 HydrophobicContact CD1-CD2 4.33Å; L525-F679 HydrophobicContact CD1-CG 4.13Å; M546-F679 HydrophobicContact CB-CD1 4.4Å; M546-F679 HydrophobicContact CB-CE1 4.35Å; M546-F679 HydrophobicContact CG-CD1 3.9Å; M546-F679 HydrophobicContact CG-CD2 3.97Å; M546-F679 HydrophobicContact CG-CE1 3.53Å; M546-F679 HydrophobicContact CG-CE2 3.6Å; M546-F679 HydrophobicContact CG-CG 4.12Å; M546-F679 HydrophobicContact CG-CZ 3.38Å; M546-F679 HydrophobicContact SD-CD2 4.47Å; M546-F679 HydrophobicContact SD-CE2 4.01Å; M546-F679 HydrophobicContact SD-CZ 4.25Å; T549-F679 HydrophobicContact CG2-CD1 4.01Å; T549-F679 HydrophobicContact CG2-CE1 3.75Å; L550-F679 HydrophobicContact CD2-CZ 4.15Å; L550-F679 HydrophobicContact CG-CZ 4.43Å; P675-F679 HydrophobicContact CB-CD2 4.06Å; P675-F679 HydrophobicContact CB-CE2 4.1Å; P675-F679 WeakPolarHBondContact O-CB 3.38Å; P675-F679 WeakPolarHBondContact O-CD2 3.42Å; P675-F679 WeakPolarHBondContact O-CG 3.01Å; P675-F679 PolarHBondContact O-N 2.88Å
680S89.6Confident91Very high32 Ų3238.7 Ų38.722%0.22419%0.188CC..Iπ-helixtrans-117.2-16.4-170.8-58.60000114.2S524 L525 E676S524-S680 PolarHBondContact O-OG 3.39Å; S524-S680 WeakPolarHBondContact OG-CB 3.48Å; S524-S680 PolarHBondContact OG-OG 3.34Å; L525-S680 PolarHBondContact N-OG 2.87Å; E676-S680 CarbonylContact O-C 3.2Å; E676-S680 WeakPolarHBondContact O-CA 3.48Å; E676-S680 WeakPolarHBondContact O-CB 3.44Å; E676-S680 PolarHBondContact O-N 3.21Å
681T89.4Confident91Very high28 Ų2838.7 Ų38.717%0.17219%0.19CC..  trans-79.8130.2179.7-62.60000112H167 E676 L677 R683H167-T681 HydrophobicContact CB-CG2 4.35Å; E676-T681 PolarHBondContact O-N 3.36Å; E676-T681 PolarHBondContact O-OG1 3.11Å; E676-T681 VanDerWaalsContact O-OG1 3.11Å; L677-T681 WeakPolarHBondContact CA-OG1 3.41Å; T681-R683 VanDerWaalsContact C-N 3.26Å; T681-R683 HydrophobicContact CG2-CG 4.17Å; T681-R683 PolarHBondContact O-N 3.04Å
682Q90.1Very high90.9Very high142 Ų14240.6 Ų40.666%0.66420%0.2SC*.  trans-78.271.3172.5-63.2-170.816.600111.4L684 R685Q682-L684 PolarHBondContact O-N 2.89Å; Q682-L684 VanDerWaalsContact O-N 3.1Å; Q682-R685 CarbonylContact O-C 3.56Å; Q682-R685 PolarHBondContact O-N 3.17Å
683R93.9Very high91Very high26 Ų2640.3 Ų40.310%0.09819%0.19CC..THydrogen-bonded Turntrans-54.1-34.5-174.2-68.6178.1-64.1-81-6114.5F169 P170 D175 L677 L678 T681F169-R683 HydrophobicContact CB-CG 4.3Å; P170-R683 WeakPolarHBondContact O-CD 3.39Å; D175-R683 IonicContact OD1-CZ 3.54Å; D175-R683 IonicContact OD1-NE 4Å; D175-R683 IonicContact OD1-NH2 3.28Å; D175-R683 PolarHBondContact OD1-NH2 3Å; D175-R683 IonicContact OD2-CZ 3.86Å; D175-R683 IonicContact OD2-NE 2.82Å; D175-R683 PolarHBondContact OD2-NE 2.91Å; D175-R683 IonicContact OD2-NH2 3.12Å; D175-R683 PolarHBondContact OD2-NH2 2.89Å; L677-R683 PolarHBondContact O-NH1 2.85Å; L677-R683 VanDerWaalsContact O-NH1 3.09Å; L678-R683 PolarHBondContact O-NH1 3.12Å; T681-R683 VanDerWaalsContact C-N 3.26Å; T681-R683 HydrophobicContact CG2-CG 4.17Å; T681-R683 PolarHBondContact O-N 3.04Å
684L95.1Very high90.8Very high25 Ų2542.6 Ų42.613%0.13120%0.201CC..THydrogen-bonded Turntrans-82.1-14.5179-71.2-176.7000114L171 D175 I179 P201 L204 Q682L171-L684 HydrophobicContact CD2-CD2 3.78Å; D175-L684 HydrophobicContact CB-CD1 4.03Å; D175-L684 HydrophobicContact CB-CD2 4.14Å; D175-L684 HydrophobicContact CB-CG 4.03Å; I179-L684 HydrophobicContact CD1-CD2 3.85Å; I179-L684 HydrophobicContact CG1-CD1 4.17Å; I179-L684 HydrophobicContact CG1-CD2 4.07Å; P201-L684 VanDerWaalsContact CB-O 3.29Å; P201-L684 WeakPolarHBondContact CB-O 3.42Å; P201-L684 HydrophobicContact CG-CB 4.16Å; P201-L684 HydrophobicContact CG-CD2 4.32Å; P201-L684 WeakPolarHBondContact CG-O 3.49Å; L204-L684 HydrophobicContact CD2-CD2 4.34Å; Q682-L684 PolarHBondContact O-N 2.89Å; Q682-L684 VanDerWaalsContact O-N 3.1Å
685R94Very high90.5Very high143 Ų14345.3 Ų45.354%0.5421%0.213SC..SBendtrans-140.166.2-175.9-61.5-168.6-168.8-178.58.1110.6Q682Q682-R685 CarbonylContact O-C 3.56Å; Q682-R685 PolarHBondContact O-N 3.17Å
686P91.9Very high90.1Very high7 Ų748.3 Ų48.35%0.04523%0.228CC..  trans-58.2148.9173.926.4-35.6000111.3H167 E203 L204 E207 V688H167-P686 VanDerWaalsContact NE2-CB 3.27Å; H167-P686 WeakPolarHBondContact NE2-CB 3.4Å; E203-P686 HydrophobicContact CB-CG 4.15Å; L204-P686 HydrophobicContact CB-CG 4.37Å; L204-P686 HydrophobicContact CD1-CG 4.42Å; E207-P686 HydrophobicContact CB-CG 4.04Å; E207-P686 WeakPolarHBondContact OE2-CB 3.48Å; E207-P686 VanDerWaalsContact OE2-CG 3.28Å; E207-P686 WeakPolarHBondContact OE2-CG 2.94Å; P686-V688 HydrophobicContact CG-CG1 4.37Å; P686-V688 PolarHBondContact O-N 3.42Å
687D88.3Confident89.9Confident66 Ų6645.9 Ų45.935%0.35322%0.216SC..  trans-72.8102.5174.9-170.9-5.4000109.7R32 R81 G689R32-D687 PolarHBondContact NH1-O 2.96Å; R81-D687 IonicContact CZ-OD2 2.75Å; R81-D687 IonicContact NH1-OD2 2.86Å; R81-D687 PolarHBondContact NH1-OD2 3.46Å; R81-D687 IonicContact NH2-OD1 2.71Å; R81-D687 IonicContact NH2-OD2 3.18Å; R81-D687 PolarHBondContact NH2-OD2 3.29Å; D687-G689 PolarHBondContact OD1-N 2.98Å
688V85Confident89.4Confident12 Ų1249.2 Ų49.27%0.07323%0.232CC..  trans-99.911.5176.7-63.90000113L77 E203 I206 P686 F690L77-V688 HydrophobicContact CD1-CB 4.45Å; L77-V688 PolarHBondContact N-O 3.47Å; E203-V688 HydrophobicContact CB-CG1 4.48Å; E203-V688 HydrophobicContact CB-CG2 4.25Å; E203-V688 HydrophobicContact CG-CG2 4.08Å; I206-V688 HydrophobicContact CB-CG1 4.22Å; I206-V688 HydrophobicContact CD1-CG2 4.48Å; I206-V688 HydrophobicContact CG2-CB 4.14Å; I206-V688 HydrophobicContact CG2-CG1 3.79Å; P686-V688 HydrophobicContact CG-CG1 4.37Å; P686-V688 PolarHBondContact O-N 3.42Å; V688-F690 HydrophobicContact CG2-CD1 4.22Å; V688-F690 HydrophobicContact CG2-CD2 3.74Å; V688-F690 HydrophobicContact CG2-CE1 4.13Å; V688-F690 HydrophobicContact CG2-CE2 3.66Å; V688-F690 HydrophobicContact CG2-CG 4.03Å; V688-F690 HydrophobicContact CG2-CZ 3.86Å
689G78.4Confident88.9Confident3 Ų353.2 Ų53.23%0.03125%0.25CS..  trans87.817.2176.700000115.6K79 G80 R81 D687K79-G689 VanDerWaalsContact O-O 3.04Å; G80-G689 WeakPolarHBondContact CA-O 3.45Å; R81-G689 PolarHBondContact N-O 2.76Å; R81-G689 VanDerWaalsContact N-O 3.16Å; D687-G689 PolarHBondContact OD1-N 2.98Å
690F77.3Confident88.4Confident115 Ų11554.5 Ų54.550%0.50426%0.258SS..  trans-67.20177.4-70.4-23.9000114L77 K79 E203 I206 V688L77-F690 HydrophobicContact CD1-CD1 4.45Å; L77-F690 HydrophobicContact CD1-CE1 3.65Å; L77-F690 HydrophobicContact CD1-CZ 4.21Å; K79-F690 HydrophobicContact CD-CD1 4.4Å; K79-F690 HydrophobicContact CD-CE1 4.17Å; E203-F690 HydrophobicContact CG-CD2 4.16Å; E203-F690 HydrophobicContact CG-CE2 3.89Å; I206-F690 HydrophobicContact CD1-CZ 3.85Å; V688-F690 HydrophobicContact CG2-CD1 4.22Å; V688-F690 HydrophobicContact CG2-CD2 3.74Å; V688-F690 HydrophobicContact CG2-CE1 4.13Å; V688-F690 HydrophobicContact CG2-CE2 3.66Å; V688-F690 HydrophobicContact CG2-CG 4.03Å; V688-F690 HydrophobicContact CG2-CZ 3.86Å

Retrieved 690 of 690 residues in 1105.8 ms (Link to these results)

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