Z4YMS1_MOUSE Loading...

Rhomboid domain containing 3

AlphaFold DB , UniProt , Accession Z4YMS1, Species MOUSE (Mus musculus, Mouse), Gene Rhbdd3, Length 192 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
1M44.6Very low41.9Very low229 Ų229142.3 Ų142.3100%1.12881%0.81SS**  0115.90-65.1166.187.600106.2
2H39.2Very low42.8Very low198 Ų198148.8 Ų148.892%0.91781%0.812SS**  trans177.6121.6148.5-87.9-53.3000110.2
3A38.3Very low44.2Very low87 Ų87142.6 Ų142.672%0.71979%0.792SS**  trans54.286.5159.300000118.8E5A3-E5 PolarHBondContact O-N 3.1Å
4W41.7Very low46.1Very low242 Ų242141.8 Ų141.892%0.91779%0.785SS**  trans-66.1103.7142.8-168-85.3000106.3A6W4-A6 PolarHBondContact O-N 2.8Å; W4-A6 VanDerWaalsContact O-N 3.07Å
5E36.9Very low48.7Very low171 Ų171132.8 Ų132.880%0.79974%0.736SS**  trans-59.7114.9168-67.8-141.8154.100107.7A3 P7A3-E5 PolarHBondContact O-N 3.1Å; E5-P7 VanDerWaalsContact O-CD 3.29Å; E5-P7 WeakPolarHBondContact O-CD 3.22Å
6A43.6Very low51.2Low83 Ų83131.6 Ų131.669%0.68673%0.727SS**  trans-62.2118.7170.900000107.2W4 G8W4-A6 PolarHBondContact O-N 2.8Å; W4-A6 VanDerWaalsContact O-N 3.07Å; A6-G8 PolarHBondContact O-N 3.37Å; A6-G8 VanDerWaalsContact O-N 3.16Å
7P42.9Very low53.5Low114 Ų114124.1 Ų124.174%0.7469%0.686SS**  trans-57.3128.8170.122.3-29.4000107.4E5E5-P7 VanDerWaalsContact O-CD 3.29Å; E5-P7 WeakPolarHBondContact O-CD 3.22Å
8G43.3Very low55.5Low61 Ų61117.3 Ų117.363%0.62965%0.648SS**  trans-42.5145.6-163.500000114.5A6 L10A6-G8 PolarHBondContact O-N 3.37Å; A6-G8 VanDerWaalsContact O-N 3.16Å; G8-L10 PolarHBondContact O-N 3.37Å
9S39.6Very low57.4Low119 Ų119113.7 Ų113.783%0.83263%0.632SS**  trans-31.299.8162.3540000111.6S11S9-S11 PolarHBondContact O-N 2.98Å
10L45.7Very low59.2Low163 Ų163112 Ų11285%0.85363%0.625SS**  trans-59.986.8154.8-79.6155.8000105.4G8 R12G8-L10 PolarHBondContact O-N 3.37Å; L10-R12 PolarHBondContact O-N 2.89Å
11S44.7Very low60.7Low98 Ų98107.5 Ų107.569%0.68560%0.599SS**  trans-49.1107.7149.154.10000103.7S9 A13S9-S11 PolarHBondContact O-N 2.98Å; S11-A13 PolarHBondContact O-N 3.11Å
12R53Low63Low221 Ų22199 Ų9983%0.83456%0.558SS**  trans-69.467.2-176-161-175.7-69.8172.7-3.6106.6L10 L14L10-R12 PolarHBondContact O-N 2.89Å; R12-L14 PolarHBondContact O-N 3.32Å
13A61.6Low65.6Low68 Ų6895.1 Ų95.156%0.56254%0.543SS*.  trans-60126.3178.900000105.6S11S11-A13 PolarHBondContact O-N 3.11Å
14L70.5Confident68.3Low131 Ų13194.2 Ų94.269%0.68653%0.526SS*.  trans-52.8137.9173.3-78.9131.7000108.3R12 L16R12-L14 PolarHBondContact O-N 3.32Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.46Å
15P85.3Confident70.7Confident7 Ų782.7 Ų82.75%0.04548%0.482CS..  trans-64.894.9179.431-38.3000107.9S18 S19 W78 E81P15-S18 PolarHBondContact O-N 3.22Å; P15-S19 VanDerWaalsContact O-CB 3.28Å; P15-S19 WeakPolarHBondContact O-CB 3.44Å; P15-S19 PolarHBondContact O-N 2.76Å; P15-S19 PolarHBondContact O-OG 2.74Å; P15-W78 HydrophobicContact CB-CB 4.04Å; P15-W78 HydrophobicContact CB-CD2 4.33Å; P15-W78 HydrophobicContact CB-CG 3.77Å; P15-W78 VanDerWaalsContact CD-CE2 3.49Å; P15-W78 HydrophobicContact CG-CB 3.83Å; P15-W78 HydrophobicContact CG-CD2 3.52Å; P15-W78 HydrophobicContact CG-CE3 4Å; P15-W78 HydrophobicContact CG-CG 3.43Å; P15-W78 VanDerWaalsContact CG-CG 3.43Å; P15-E81 VanDerWaalsContact C-OE2 3.25Å; P15-E81 VanDerWaalsContact CA-CD 3.5Å; P15-E81 WeakPolarHBondContact CA-OE2 3.36Å; P15-E81 HydrophobicContact CB-CB 4.39Å; P15-E81 HydrophobicContact CB-CG 4.25Å; P15-E81 WeakPolarHBondContact CB-OE2 3.34Å
16L89Confident73.3Confident114 Ų11476.3 Ų76.360%0.59746%0.456SS*.Hα-helixtrans-66.8-44.4-166.8-175146.6000110.2L14 S19 V20 E81L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.46Å; L16-S19 PolarHBondContact O-N 2.96Å; L16-V20 HydrophobicContact CD2-CG2 4.12Å; L16-V20 HydrophobicContact CG-CG2 4.47Å; L16-V20 WeakPolarHBondContact O-CB 3.19Å; L16-V20 WeakPolarHBondContact O-CG2 3.44Å; L16-V20 PolarHBondContact O-N 3.33Å; L16-E81 PolarHBondContact N-OE1 2.95Å
17A89.5Confident75.7Confident4 Ų474.9 Ų74.93%0.03344%0.441CS..Hα-helixtrans-64.1-46.5177.700000111.5S19 V20 L21 E81 T86 F89 L90A17-S19 VanDerWaalsContact C-N 3.31Å; A17-S19 PolarHBondContact O-N 3.32Å; A17-V20 PolarHBondContact O-N 3.07Å; A17-L21 WeakPolarHBondContact O-CB 3.29Å; A17-L21 VanDerWaalsContact O-CG 3.26Å; A17-L21 WeakPolarHBondContact O-CG 3.29Å; A17-L21 PolarHBondContact O-N 2.96Å; A17-E81 PolarHBondContact N-OE1 3.43Å; A17-E81 PolarHBondContact N-OE2 3.16Å; A17-T86 HydrophobicContact CB-CG2 3.72Å; A17-F89 HydrophobicContact CB-CD1 3.66Å; A17-F89 HydrophobicContact CB-CE1 3.87Å; A17-L90 HydrophobicContact CB-CD1 3.92Å; A17-L90 HydrophobicContact CB-CD2 3.6Å; A17-L90 HydrophobicContact CB-CG 3.58Å
18S90.3Very high78Confident1 Ų171.2 Ų71.21%0.00742%0.415CS..Hα-helixtrans-62-41.4179.7-54.20000111.3P15 L21 M22 G77 W78 E81P15-S18 PolarHBondContact O-N 3.22Å; S18-L21 PolarHBondContact O-N 3.27Å; S18-M22 VanDerWaalsContact O-CG 3.24Å; S18-M22 WeakPolarHBondContact O-CG 3.3Å; S18-M22 PolarHBondContact O-N 3.31Å; S18-G77 PolarHBondContact OG-O 3.08Å; S18-W78 PolarHBondContact OG-N 3.12Å; S18-E81 WeakPolarHBondContact CB-OE2 3.29Å; S18-E81 PolarHBondContact N-OE2 3.37Å; S18-E81 PolarHBondContact OG-OE2 3.5Å
19S91.8Very high80.3Confident49 Ų4972.6 Ų72.634%0.34340%0.401SS..Hα-helixtrans-68.1-43.1179-54.80000112P15 L16 A17 M22 L23P15-S19 VanDerWaalsContact O-CB 3.28Å; P15-S19 WeakPolarHBondContact O-CB 3.44Å; P15-S19 PolarHBondContact O-N 2.76Å; P15-S19 PolarHBondContact O-OG 2.74Å; L16-S19 PolarHBondContact O-N 2.96Å; A17-S19 VanDerWaalsContact C-N 3.31Å; A17-S19 PolarHBondContact O-N 3.32Å; S19-M22 PolarHBondContact O-N 3.33Å; S19-L23 PolarHBondContact O-N 2.91Å
20V92.1Very high82.7Confident80 Ų8073.3 Ų73.349%0.48540%0.395SS..Hα-helixtrans-64-42.1175.31690000110.7L16 A17 L23 L24L16-V20 HydrophobicContact CD2-CG2 4.12Å; L16-V20 HydrophobicContact CG-CG2 4.47Å; L16-V20 WeakPolarHBondContact O-CB 3.19Å; L16-V20 WeakPolarHBondContact O-CG2 3.44Å; L16-V20 PolarHBondContact O-N 3.33Å; A17-V20 PolarHBondContact O-N 3.07Å; V20-L23 PolarHBondContact O-N 3.29Å; V20-L24 WeakPolarHBondContact O-CB 3.29Å; V20-L24 PolarHBondContact O-N 2.87Å
21L91.3Very high84.9Confident17 Ų1772.2 Ų72.29%0.08939%0.389CS..Hα-helixtrans-61.8-46174.7-75.1172.4000111.2A17 S18 L23 L24 L25 L58 L73 F89 Y121A17-L21 WeakPolarHBondContact O-CB 3.29Å; A17-L21 VanDerWaalsContact O-CG 3.26Å; A17-L21 WeakPolarHBondContact O-CG 3.29Å; A17-L21 PolarHBondContact O-N 2.96Å; S18-L21 PolarHBondContact O-N 3.27Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-L23 PolarHBondContact O-N 2.77Å; L21-L24 PolarHBondContact O-N 3.11Å; L21-L25 WeakPolarHBondContact O-CB 3.39Å; L21-L25 WeakPolarHBondContact O-CG 3.5Å; L21-L25 PolarHBondContact O-N 3.47Å; L21-L58 HydrophobicContact CD2-CD2 4.04Å; L21-L73 HydrophobicContact CB-CD1 4.15Å; L21-L73 HydrophobicContact CB-CD2 4.25Å; L21-L73 HydrophobicContact CD1-CD2 4.17Å; L21-F89 HydrophobicContact CD1-CE1 3.83Å; L21-F89 HydrophobicContact CD1-CZ 4.2Å; L21-Y121 HydrophobicContact CD1-CE2 4.47Å
22M93.4Very high86.9Confident52 Ų5270 Ų7026%0.25638%0.382SS..Hα-helixtrans-56.1-49.8176-72.7172.970.400111.4S18 S19 L24 L25 S26 L70 L73 P74S18-M22 VanDerWaalsContact O-CG 3.24Å; S18-M22 WeakPolarHBondContact O-CG 3.3Å; S18-M22 PolarHBondContact O-N 3.31Å; S19-M22 PolarHBondContact O-N 3.33Å; M22-L24 VanDerWaalsContact C-N 3.34Å; M22-L24 PolarHBondContact O-N 3.36Å; M22-L25 PolarHBondContact O-N 2.93Å; M22-S26 WeakPolarHBondContact O-CB 3.08Å; M22-S26 PolarHBondContact O-N 3.46Å; M22-S26 PolarHBondContact O-OG 2.86Å; M22-S26 VanDerWaalsContact O-OG 3.1Å; M22-L70 HydrophobicContact CB-CD2 3.91Å; M22-L70 HydrophobicContact CG-CD2 4.06Å; M22-L73 HydrophobicContact CB-CD1 4.41Å; M22-L73 HydrophobicContact CG-CB 3.58Å; M22-L73 HydrophobicContact CG-CD1 3.57Å; M22-L73 HydrophobicContact CG-CG 4.21Å; M22-L73 HydrophobicContact SD-CB 4.04Å; M22-P74 HydrophobicContact CE-CG 4.14Å; M22-P74 HydrophobicContact SD-CB 4.15Å; M22-P74 HydrophobicContact SD-CG 4.17Å
23L93.9Very high88.5Confident115 Ų11560.4 Ų60.460%0.60235%0.35SS*.Hα-helixtrans-59.8-45.9178-175.170.7000111.2S19 V20 L21 S26 C27S19-L23 PolarHBondContact O-N 2.91Å; V20-L23 PolarHBondContact O-N 3.29Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-L23 PolarHBondContact O-N 2.77Å; L23-S26 PolarHBondContact O-N 3.37Å; L23-C27 WeakPolarHBondContact O-CB 3.41Å; L23-C27 PolarHBondContact O-N 2.83Å; L23-C27 PolarHBondContact O-SG 2.85Å
24L93.3Very high89.4Confident69 Ų6957.2 Ų57.236%0.36132%0.324SS..Hα-helixtrans-62.1-47.3-179.3-176.763.4000111.7V20 L21 M22 S26 C27 L28 L58V20-L24 WeakPolarHBondContact O-CB 3.29Å; V20-L24 PolarHBondContact O-N 2.87Å; L21-L24 PolarHBondContact O-N 3.11Å; M22-L24 VanDerWaalsContact C-N 3.34Å; M22-L24 PolarHBondContact O-N 3.36Å; L24-S26 PolarHBondContact O-N 2.87Å; L24-C27 PolarHBondContact O-N 3.45Å; L24-L28 HydrophobicContact CD1-CD1 3.97Å; L24-L28 HydrophobicContact CD1-CG 4.16Å; L24-L28 HydrophobicContact CG-CD1 3.9Å; L24-L28 HydrophobicContact CG-CG 4.45Å; L24-L28 WeakPolarHBondContact O-CB 3.41Å; L24-L28 VanDerWaalsContact O-CG 3.25Å; L24-L28 WeakPolarHBondContact O-CG 3.28Å; L24-L28 PolarHBondContact O-N 2.87Å; L24-L58 HydrophobicContact CD2-CD1 3.9Å; L24-L58 HydrophobicContact CD2-CD2 3.97Å
25L92.2Very high90.1Very high0 Ų054.9 Ų54.90%032%0.316CS..Hα-helixtrans-60.3-45.4176.5-66.9-177.8000111.1L21 M22 W29 L58 L66 L73L21-L25 WeakPolarHBondContact O-CB 3.39Å; L21-L25 WeakPolarHBondContact O-CG 3.5Å; L21-L25 PolarHBondContact O-N 3.47Å; M22-L25 PolarHBondContact O-N 2.93Å; L25-W29 VanDerWaalsContact O-CB 3.31Å; L25-W29 WeakPolarHBondContact O-CB 3.45Å; L25-W29 PolarHBondContact O-N 2.91Å; L25-L58 HydrophobicContact CD2-CB 4.29Å; L25-L58 HydrophobicContact CD2-CD2 4.11Å; L25-L58 VanDerWaalsContact CD2-O 3.23Å; L25-L58 WeakPolarHBondContact CD2-O 3.36Å; L25-L66 HydrophobicContact CB-CD1 3.96Å; L25-L73 HydrophobicContact CD1-CD1 3.68Å
26S92.4Very high90Very high37 Ų3757.7 Ų57.726%0.25934%0.336SS..Hα-helixtrans-62.4-46.8177.2-66.50000112.2M22 L23 L24 W29 L30M22-S26 WeakPolarHBondContact O-CB 3.08Å; M22-S26 PolarHBondContact O-N 3.46Å; M22-S26 PolarHBondContact O-OG 2.86Å; M22-S26 VanDerWaalsContact O-OG 3.1Å; L23-S26 PolarHBondContact O-N 3.37Å; L24-S26 PolarHBondContact O-N 2.87Å; S26-W29 PolarHBondContact O-N 2.86Å; S26-L30 VanDerWaalsContact O-CG 3.28Å; S26-L30 WeakPolarHBondContact O-CG 3.29Å; S26-L30 PolarHBondContact O-N 3.26Å
27C93.3Very high89.7Confident53 Ų5353.4 Ų53.436%0.35831%0.314SS..Hα-helixtrans-62-51.5177.8-72.90000111.2L23 L24 W29 L30 L31L23-C27 WeakPolarHBondContact O-CB 3.41Å; L23-C27 PolarHBondContact O-N 2.83Å; L23-C27 PolarHBondContact O-SG 2.85Å; L24-C27 PolarHBondContact O-N 3.45Å; C27-W29 PolarHBondContact O-N 2.88Å; C27-L30 PolarHBondContact O-N 3.38Å; C27-L30 VanDerWaalsContact O-N 3.08Å; C27-L31 HydrophobicContact CB-CD1 4.38Å; C27-L31 WeakPolarHBondContact O-CD1 3.38Å; C27-L31 PolarHBondContact O-N 3.41Å
28L91.5Very high89.5Confident37 Ų3756.6 Ų56.619%0.19433%0.325CS..Hα-helixtrans-60.4-35.1-179.2-70.5173.7000112.5L24 G32 A33 L37 L58L24-L28 HydrophobicContact CD1-CD1 3.97Å; L24-L28 HydrophobicContact CD1-CG 4.16Å; L24-L28 HydrophobicContact CG-CD1 3.9Å; L24-L28 HydrophobicContact CG-CG 4.45Å; L24-L28 WeakPolarHBondContact O-CB 3.41Å; L24-L28 VanDerWaalsContact O-CG 3.25Å; L24-L28 WeakPolarHBondContact O-CG 3.28Å; L24-L28 PolarHBondContact O-N 2.87Å; L28-G32 PolarHBondContact O-N 3.38Å; L28-A33 HydrophobicContact CB-CB 4.43Å; L28-A33 HydrophobicContact CD2-CB 4.11Å; L28-A33 WeakPolarHBondContact O-CB 3.27Å; L28-A33 PolarHBondContact O-N 3.35Å; L28-L37 HydrophobicContact CD1-CD1 3.98Å; L28-L37 HydrophobicContact CD2-CD1 4.28Å; L28-L58 HydrophobicContact CD1-CB 3.83Å
29W91.1Very high89.1Confident90 Ų9056.7 Ų56.734%0.34133%0.325SS..Hα-helixtrans-68-44.9173.4-174.384000112.3L25 S26 C27 L31 G32 L63 L66L25-W29 VanDerWaalsContact O-CB 3.31Å; L25-W29 WeakPolarHBondContact O-CB 3.45Å; L25-W29 PolarHBondContact O-N 2.91Å; S26-W29 PolarHBondContact O-N 2.86Å; C27-W29 PolarHBondContact O-N 2.88Å; W29-L31 VanDerWaalsContact C-N 3.28Å; W29-L31 PolarHBondContact O-N 2.92Å; W29-G32 PolarHBondContact O-N 3.24Å; W29-L63 HydrophobicContact CH2-CD1 3.89Å; W29-L63 HydrophobicContact CZ2-CB 4.24Å; W29-L63 HydrophobicContact CZ2-CD1 3.78Å; W29-L66 HydrophobicContact CB-CD1 4.35Å; W29-L66 HydrophobicContact CB-CD2 3.85Å; W29-L66 HydrophobicContact CD2-CD2 3.62Å; W29-L66 HydrophobicContact CE3-CD2 4.04Å; W29-L66 HydrophobicContact CG-CD2 3.52Å
30L91Very high88.7Confident134 Ų13455.5 Ų55.570%0.70232%0.318SS*.Hα-helixtrans-61.9-34.6176-72.6171.2000112.7S26 C27 G32S26-L30 VanDerWaalsContact O-CG 3.28Å; S26-L30 WeakPolarHBondContact O-CG 3.29Å; S26-L30 PolarHBondContact O-N 3.26Å; C27-L30 PolarHBondContact O-N 3.38Å; C27-L30 VanDerWaalsContact O-N 3.08Å; L30-G32 PolarHBondContact O-N 3.25Å
31L91.1Very high88Confident140 Ų14053.6 Ų53.673%0.73331%0.308SS*.THydrogen-bonded Turntrans-75.4-6.2173.3-82.1103000113.4C27 W29 A33C27-L31 HydrophobicContact CB-CD1 4.38Å; C27-L31 WeakPolarHBondContact O-CD1 3.38Å; C27-L31 PolarHBondContact O-N 3.41Å; W29-L31 VanDerWaalsContact C-N 3.28Å; W29-L31 PolarHBondContact O-N 2.92Å; L31-A33 PolarHBondContact O-N 3.45Å
32G86.6Confident87.4Confident52 Ų5260.9 Ų60.954%0.53634%0.341SS..THydrogen-bonded Turntrans67.422-177.200000113.7L28 W29 L30 G34 P35L28-G32 PolarHBondContact O-N 3.38Å; W29-G32 PolarHBondContact O-N 3.24Å; L30-G32 PolarHBondContact O-N 3.25Å; G32-G34 PolarHBondContact O-N 3.05Å; G32-P35 WeakPolarHBondContact O-CD 3.21Å
33A86.9Confident86.5Confident19 Ų1961.5 Ų61.516%0.15735%0.345CS..  trans-72-12.4-175.300000113.4L28 L31 S36 L37L28-A33 HydrophobicContact CB-CB 4.43Å; L28-A33 HydrophobicContact CD2-CB 4.11Å; L28-A33 WeakPolarHBondContact O-CB 3.27Å; L28-A33 PolarHBondContact O-N 3.35Å; L31-A33 PolarHBondContact O-N 3.45Å; A33-S36 WeakPolarHBondContact O-CB 3.39Å; A33-S36 PolarHBondContact O-N 3.03Å; A33-S36 PolarHBondContact O-OG 2.89Å; A33-L37 HydrophobicContact CB-CD1 4.09Å; A33-L37 HydrophobicContact CB-CG 4.42Å; A33-L37 WeakPolarHBondContact O-CG 3.18Å; A33-L37 PolarHBondContact O-N 3.1Å
34G82.1Confident85.6Confident1 Ų156.5 Ų56.51%0.0132%0.319CS..Hα-helixtrans-43.5-58.3-175.400000114.9G32 S36 L37 R38G32-G34 PolarHBondContact O-N 3.05Å; G34-S36 VanDerWaalsContact C-N 3.28Å; G34-S36 PolarHBondContact O-N 3.06Å; G34-L37 PolarHBondContact O-N 3.02Å; G34-L37 VanDerWaalsContact O-N 3.08Å; G34-R38 PolarHBondContact O-N 2.71Å
35P83.4Confident84.5Confident81 Ų8159.3 Ų59.353%0.52633%0.332SS..Hα-helixtrans-57.9-37.6179.1-23.934.4000113.9G32 L37 R38 T61G32-P35 WeakPolarHBondContact O-CD 3.21Å; P35-L37 PolarHBondContact O-N 2.93Å; P35-R38 PolarHBondContact O-N 2.97Å; P35-T61 HydrophobicContact CG-CG2 4.39Å
36S83.8Confident83.3Confident66 Ų6667.2 Ų67.246%0.46237%0.369SS..Hα-helixtrans-69.8-19.7179.975.40000113.2A33 G34 R52A33-S36 WeakPolarHBondContact O-CB 3.39Å; A33-S36 PolarHBondContact O-N 3.03Å; A33-S36 PolarHBondContact O-OG 2.89Å; G34-S36 VanDerWaalsContact C-N 3.28Å; G34-S36 PolarHBondContact O-N 3.06Å; S36-R52 PolarHBondContact O-NH1 3.49Å; S36-R52 PolarHBondContact O-NH2 2.86Å
37L83.4Confident82.5Confident25 Ų2569.8 Ų69.813%0.13139%0.385CS..Hα-helixtrans-103.3-6.1-176.9-58177.9000113.6L28 A33 G34 P35 T55 H56L28-L37 HydrophobicContact CD1-CD1 3.98Å; L28-L37 HydrophobicContact CD2-CD1 4.28Å; A33-L37 HydrophobicContact CB-CD1 4.09Å; A33-L37 HydrophobicContact CB-CG 4.42Å; A33-L37 WeakPolarHBondContact O-CG 3.18Å; A33-L37 PolarHBondContact O-N 3.1Å; G34-L37 PolarHBondContact O-N 3.02Å; G34-L37 VanDerWaalsContact O-N 3.08Å; P35-L37 PolarHBondContact O-N 2.93Å; L37-T55 HydrophobicContact CD2-CG2 4.42Å; L37-H56 WeakPolarHBondContact O-CA 3.44Å; L37-H56 PolarHBondContact O-N 2.96Å
38R85.3Confident81.8Confident71 Ų7175.5 Ų75.527%0.26840%0.399SS..SBendtrans-57.8151.1-179.9-68.7178.6-164.8-142.73.2112.3G34 P35 A40 R52 T61 C119 E162G34-R38 PolarHBondContact O-N 2.71Å; P35-R38 PolarHBondContact O-N 2.97Å; R38-A40 PolarHBondContact O-N 2.85Å; R38-R52 PolarHBondContact O-NH1 3.23Å; R38-T61 VanDerWaalsContact CZ-CG2 3.44Å; R38-T61 VanDerWaalsContact NE-CG2 3.32Å; R38-T61 VanDerWaalsContact NH2-CB 3.33Å; R38-C119 HydrophobicContact CB-CB 4.47Å; R38-C119 HydrophobicContact CG-CB 3.82Å; R38-E162 IonicContact CZ-OE1 3.32Å; R38-E162 VanDerWaalsContact CZ-OE1 3.32Å; R38-E162 IonicContact NH1-OE1 2.75Å; R38-E162 PolarHBondContact NH1-OE1 2.94Å; R38-E162 IonicContact NH2-OE1 3.31Å; R38-E162 PolarHBondContact NH2-OE1 2.93Å; R38-E162 IonicContact NH2-OE2 3.93Å
39L81.9Confident81.5Confident2 Ų276 Ų761%0.0140%0.4CS..  trans-62.3116.9167.5-101.7149.4000109.5L44 L53 H56 V105 G117 G118L39-L44 HydrophobicContact CD2-CD1 4.37Å; L39-L53 HydrophobicContact CD2-CD2 4.14Å; L39-H56 HydrophobicContact CB-CB 4.2Å; L39-H56 HydrophobicContact CD1-CB 3.69Å; L39-H56 WeakPolarHBondContact CD1-CD2 3.46Å; L39-H56 HydrophobicContact CG-CB 3.67Å; L39-V105 HydrophobicContact CD2-CG2 3.35Å; L39-G117 WeakPolarHBondContact O-CA 3.39Å; L39-G117 PolarHBondContact O-N 3.15Å; L39-G118 PolarHBondContact N-O 2.65Å
40A82.6Confident81.1Confident24 Ų2474.7 Ų74.720%0.19840%0.402CS..  trans-132105.3177.300000108.1R38 E42 L43 L44R38-A40 PolarHBondContact O-N 2.85Å; A40-E42 PolarHBondContact O-N 3.2Å; A40-L43 HydrophobicContact CB-CB 4.04Å; A40-L43 HydrophobicContact CB-CD1 3.81Å; A40-L43 HydrophobicContact CB-CG 3.97Å; A40-L43 PolarHBondContact O-N 3.38Å; A40-L44 PolarHBondContact O-N 2.94Å
41P78.1Confident80.8Confident41 Ų4173.3 Ų73.327%0.26639%0.392SS..Hα-helixtrans-56.8-38-178.7-25.834.9000113L43 L44 M45 A108 A116P41-L43 PolarHBondContact O-N 2.78Å; P41-L44 WeakPolarHBondContact O-CB 3.38Å; P41-L44 PolarHBondContact O-N 3.4Å; P41-M45 PolarHBondContact O-N 2.88Å; P41-A108 HydrophobicContact CG-CB 3.8Å; P41-A116 HydrophobicContact CG-CB 3.29Å
42E77.9Confident80.6Confident170 Ų17067.7 Ų67.779%0.79436%0.361SS*.Hα-helixtrans-60.5-47.3179-60.3-178.2-176.300111.3A40 L44 M45 E46A40-E42 PolarHBondContact O-N 3.2Å; E42-L44 PolarHBondContact O-N 2.72Å; E42-M45 PolarHBondContact O-N 3.47Å; E42-E46 PolarHBondContact O-N 2.73Å
43L75.6Confident80.6Confident64 Ų6466.4 Ų66.434%0.33534%0.341SS..Hα-helixtrans-72-17.5-179.4-61178.1000113.4A40 P41 E46 Q49A40-L43 HydrophobicContact CB-CB 4.04Å; A40-L43 HydrophobicContact CB-CD1 3.81Å; A40-L43 HydrophobicContact CB-CG 3.97Å; A40-L43 PolarHBondContact O-N 3.38Å; P41-L43 PolarHBondContact O-N 2.78Å; L43-E46 WeakPolarHBondContact CA-O 3.43Å; L43-Q49 WeakPolarHBondContact O-CB 3.33Å; L43-Q49 PolarHBondContact O-N 2.94Å
44L73.9Confident80.6Confident11 Ų1168.7 Ų68.76%0.05835%0.351CS..Hα-helixtrans-75.7-31.9173.3-76.1167.7000112.2L39 A40 P41 E42 W48 Q49 R52 L53 V105L39-L44 HydrophobicContact CD2-CD1 4.37Å; A40-L44 PolarHBondContact O-N 2.94Å; P41-L44 WeakPolarHBondContact O-CB 3.38Å; P41-L44 PolarHBondContact O-N 3.4Å; E42-L44 PolarHBondContact O-N 2.72Å; L44-W48 WeakPolarHBondContact O-CA 3.29Å; L44-Q49 WeakPolarHBondContact CD2-O 3.41Å; L44-R52 HydrophobicContact CD2-CB 4.26Å; L44-L53 HydrophobicContact CD1-CD2 3.81Å; L44-L53 HydrophobicContact CD1-CG 4.41Å; L44-L53 HydrophobicContact CD2-CD2 4.18Å; L44-L53 HydrophobicContact CD2-CG 3.86Å; L44-V105 HydrophobicContact CD1-CB 4.3Å; L44-V105 HydrophobicContact CD1-CG1 4.02Å; L44-V105 HydrophobicContact CD1-CG2 3.32Å
45M71.3Confident80.9Confident127 Ų12770 Ų7063%0.62636%0.358SS*.Hα-helixtrans-85.5-47177.4-65.3-82.493.100110.6P41 E42 W48P41-M45 PolarHBondContact O-N 2.88Å; E42-M45 PolarHBondContact O-N 3.47Å; M45-W48 HydrophobicContact CE-CH2 4.46Å; M45-W48 HydrophobicContact CE-CZ3 3.79Å
46E66.6Low81.2Confident166 Ų16666.1 Ų66.178%0.77633%0.333SS*.SBendtrans-139.8111.6179.1-64.5-169.2165.900109E42 L43E42-E46 PolarHBondContact O-N 2.73Å; L43-E46 WeakPolarHBondContact CA-O 3.43Å
47P75.1Confident81.4Confident92 Ų9263.1 Ų63.160%0.59731%0.312SS*.SBendcis-102.84816.839.5-34.6000114.2Q49P47-Q49 HydrophobicContact CG-CG 3.89Å
48W78.4Confident81.6Confident172 Ų17263.6 Ų63.665%0.65232%0.315SS*.  trans61.545.2176.5-155.8-103.8000115.4L44 M45 V50L44-W48 WeakPolarHBondContact O-CA 3.29Å; M45-W48 HydrophobicContact CE-CH2 4.46Å; M45-W48 HydrophobicContact CE-CZ3 3.79Å; W48-V50 HydrophobicContact CD2-CG2 4.13Å; W48-V50 HydrophobicContact CG-CG2 4.04Å; W48-V50 HydrophobicContact CZ2-CG2 4.32Å; W48-V50 VanDerWaalsContact NE1-CG2 3.26Å; W48-V50 PolarHBondContact O-N 3.36Å
49Q84.5Confident81.7Confident48 Ų4860.2 Ų60.222%0.22430%0.302CS..  trans-80.559.3-178.8-62.5-172.92.300112.9L43 L44 P47 H51 R52L43-Q49 WeakPolarHBondContact O-CB 3.33Å; L43-Q49 PolarHBondContact O-N 2.94Å; L44-Q49 WeakPolarHBondContact CD2-O 3.41Å; P47-Q49 HydrophobicContact CG-CG 3.89Å; Q49-H51 PolarHBondContact O-N 3.29Å; Q49-H51 VanDerWaalsContact O-N 3.1Å; Q49-R52 HydrophobicContact CB-CG 4.11Å; Q49-R52 VanDerWaalsContact O-CB 3.29Å; Q49-R52 WeakPolarHBondContact O-CB 3.27Å; Q49-R52 WeakPolarHBondContact O-CG 3.38Å; Q49-R52 PolarHBondContact O-N 2.85Å; Q49-R52 VanDerWaalsContact OE1-CZ 3.22Å
50V84.5Confident81.9Confident63 Ų6360.6 Ų60.638%0.38230%0.304SS..THydrogen-bonded Turntrans-57-28.8-176.5-175.10000113W48 R52 L53W48-V50 HydrophobicContact CD2-CG2 4.13Å; W48-V50 HydrophobicContact CG-CG2 4.04Å; W48-V50 HydrophobicContact CZ2-CG2 4.32Å; W48-V50 VanDerWaalsContact NE1-CG2 3.26Å; W48-V50 PolarHBondContact O-N 3.36Å; V50-R52 PolarHBondContact O-N 2.88Å; V50-L53 HydrophobicContact CG1-CD1 3.98Å; V50-L53 WeakPolarHBondContact O-CB 3.44Å; V50-L53 PolarHBondContact O-N 2.99Å
51H84.6Confident82Confident104 Ų10461.2 Ų61.248%0.48131%0.306SS..THydrogen-bonded Turntrans-54.3-25.9175.464.8-91.8000112.8Q49 L53 L54 T55Q49-H51 PolarHBondContact O-N 3.29Å; Q49-H51 VanDerWaalsContact O-N 3.1Å; H51-L53 PolarHBondContact O-N 2.86Å; H51-L54 PolarHBondContact O-N 3.34Å; H51-T55 WeakPolarHBondContact O-CG2 3.17Å; H51-T55 PolarHBondContact O-N 2.82Å; H51-T55 PolarHBondContact O-OG1 3.38Å
52R85.9Confident82.3Confident23 Ų2360.4 Ų60.49%0.08730%0.302CS..Hα-helixtrans-59.5-29.2174.6-68.4-178.8175.3-74-18113.6S36 R38 L44 Q49 V50 L54 T55 H56S36-R52 PolarHBondContact O-NH1 3.49Å; S36-R52 PolarHBondContact O-NH2 2.86Å; R38-R52 PolarHBondContact O-NH1 3.23Å; L44-R52 HydrophobicContact CD2-CB 4.26Å; Q49-R52 HydrophobicContact CB-CG 4.11Å; Q49-R52 VanDerWaalsContact O-CB 3.29Å; Q49-R52 WeakPolarHBondContact O-CB 3.27Å; Q49-R52 WeakPolarHBondContact O-CG 3.38Å; Q49-R52 PolarHBondContact O-N 2.85Å; Q49-R52 VanDerWaalsContact OE1-CZ 3.22Å; V50-R52 PolarHBondContact O-N 2.88Å; R52-L54 PolarHBondContact O-N 2.83Å; R52-T55 WeakPolarHBondContact CA-OG1 3.45Å; R52-H56 VanDerWaalsContact O-CB 3.31Å; R52-H56 WeakPolarHBondContact O-CB 3.29Å; R52-H56 PolarHBondContact O-N 3.24Å; R52-H56 VanDerWaalsContact O-N 3.07Å; R52-H56 PolarHBondContact O-ND1 3.37Å
53L87Confident82.8Confident24 Ų2456.3 Ų56.313%0.12629%0.286CS..Hα-helixtrans-62.3-26.3174.7-66.3178.4000112.3L39 L44 V50 H51 H56 L98 V105L39-L53 HydrophobicContact CD2-CD2 4.14Å; L44-L53 HydrophobicContact CD1-CD2 3.81Å; L44-L53 HydrophobicContact CD1-CG 4.41Å; L44-L53 HydrophobicContact CD2-CD2 4.18Å; L44-L53 HydrophobicContact CD2-CG 3.86Å; V50-L53 HydrophobicContact CG1-CD1 3.98Å; V50-L53 WeakPolarHBondContact O-CB 3.44Å; V50-L53 PolarHBondContact O-N 2.99Å; H51-L53 PolarHBondContact O-N 2.86Å; L53-H56 PolarHBondContact O-CE1 3.42Å; L53-H56 PolarHBondContact O-ND1 3.45Å; L53-L98 HydrophobicContact CB-CD2 3.8Å; L53-V105 HydrophobicContact CD2-CG2 4.02Å
54L87.3Confident83.3Confident68 Ų6855.8 Ų55.836%0.35629%0.286SS..Hα-helixtrans-100-45.3175.1-174.360.4000111.5H51 R52 H56 A57 T94 A97 L98H51-L54 PolarHBondContact O-N 3.34Å; R52-L54 PolarHBondContact O-N 2.83Å; L54-H56 PolarHBondContact O-N 3.37Å; L54-A57 PolarHBondContact O-N 2.89Å; L54-T94 HydrophobicContact CD1-CG2 3.86Å; L54-T94 HydrophobicContact CD2-CG2 4.26Å; L54-A97 HydrophobicContact CD1-CB 3.98Å; L54-L98 HydrophobicContact CB-CD2 4.13Å
55T88.4Confident83.8Confident27 Ų2755.5 Ų55.517%0.16629%0.286CS..Hα-helixtrans-70.2-19.1-173.161.70000113.6L37 H51 R52 A57 L58 G59L37-T55 HydrophobicContact CD2-CG2 4.42Å; H51-T55 WeakPolarHBondContact O-CG2 3.17Å; H51-T55 PolarHBondContact O-N 2.82Å; H51-T55 PolarHBondContact O-OG1 3.38Å; R52-T55 WeakPolarHBondContact CA-OG1 3.45Å; T55-A57 PolarHBondContact O-N 3.48Å; T55-L58 WeakPolarHBondContact O-CA 3.28Å; T55-L58 WeakPolarHBondContact O-CB 3.21Å; T55-L58 PolarHBondContact O-N 2.67Å; T55-G59 PolarHBondContact O-N 3.22Å; T55-G59 VanDerWaalsContact O-N 3.12Å
56H88.7Confident84.7Confident0 Ų049.7 Ų49.70%026%0.257CS..THydrogen-bonded Turntrans-58.3-30.7173.880.3-82.9000112.4L37 L39 R52 L53 L54 L58 A97 C119 G120 Q167L37-H56 WeakPolarHBondContact O-CA 3.44Å; L37-H56 PolarHBondContact O-N 2.96Å; L39-H56 HydrophobicContact CB-CB 4.2Å; L39-H56 HydrophobicContact CD1-CB 3.69Å; L39-H56 WeakPolarHBondContact CD1-CD2 3.46Å; L39-H56 HydrophobicContact CG-CB 3.67Å; R52-H56 VanDerWaalsContact O-CB 3.31Å; R52-H56 WeakPolarHBondContact O-CB 3.29Å; R52-H56 PolarHBondContact O-N 3.24Å; R52-H56 VanDerWaalsContact O-N 3.07Å; R52-H56 PolarHBondContact O-ND1 3.37Å; L53-H56 PolarHBondContact O-CE1 3.42Å; L53-H56 PolarHBondContact O-ND1 3.45Å; L54-H56 PolarHBondContact O-N 3.37Å; H56-L58 PolarHBondContact O-N 2.91Å; H56-A97 PolarHBondContact CE1-O 2.86Å; H56-C119 CarbonylContact O-C 3.34Å; H56-C119 VanDerWaalsContact O-CA 3.24Å; H56-C119 WeakPolarHBondContact O-CA 3.25Å; H56-C119 WeakPolarHBondContact O-CB 3.15Å; H56-G120 PolarHBondContact O-N 2.89Å; H56-Q167 PolarHBondContact CD2-NE2 2.92Å
57A88.6Confident85.8Confident3 Ų346.5 Ų46.53%0.02525%0.245CC..THydrogen-bonded Turntrans-71.9-21.8177.500000111.9L54 T55 A97 G120 Y121 V124L54-A57 PolarHBondContact O-N 2.89Å; T55-A57 PolarHBondContact O-N 3.48Å; A57-A97 HydrophobicContact CB-CB 4.11Å; A57-G120 CarbonylContact O-C 3.32Å; A57-G120 VanDerWaalsContact O-C 3.29Å; A57-Y121 HydrophobicContact CB-CD2 4.13Å; A57-Y121 VanDerWaalsContact O-CA 3.23Å; A57-Y121 WeakPolarHBondContact O-CA 3.28Å; A57-Y121 VanDerWaalsContact O-CB 3.27Å; A57-Y121 WeakPolarHBondContact O-CB 3.47Å; A57-Y121 PolarHBondContact O-N 3.34Å; A57-V124 HydrophobicContact CB-CG2 3.79Å
58L87.8Confident86.5Confident35 Ų3542.7 Ų42.718%0.18322%0.219CC..THydrogen-bonded Turntrans-93.2-21.3-178.7-58.3177.6000113.5L21 L24 L25 L28 T55 H56L21-L58 HydrophobicContact CD2-CD2 4.04Å; L24-L58 HydrophobicContact CD2-CD1 3.9Å; L24-L58 HydrophobicContact CD2-CD2 3.97Å; L25-L58 HydrophobicContact CD2-CB 4.29Å; L25-L58 HydrophobicContact CD2-CD2 4.11Å; L25-L58 VanDerWaalsContact CD2-O 3.23Å; L25-L58 WeakPolarHBondContact CD2-O 3.36Å; L28-L58 HydrophobicContact CD1-CB 3.83Å; T55-L58 WeakPolarHBondContact O-CA 3.28Å; T55-L58 WeakPolarHBondContact O-CB 3.21Å; T55-L58 PolarHBondContact O-N 2.67Å; H56-L58 PolarHBondContact O-N 2.91Å
59G86.5Confident87Confident1 Ų134.5 Ų34.51%0.0119%0.188CC..  trans-79.8134.417700000111.6T55 C119 G120T55-G59 PolarHBondContact O-N 3.22Å; T55-G59 VanDerWaalsContact O-N 3.12Å; G59-C119 CarbonylContact O-C 3.51Å; G59-C119 VanDerWaalsContact O-C 3.22Å; G59-C119 WeakPolarHBondContact O-CB 3.48Å; G59-C119 PolarHBondContact O-SG 2.92Å; G59-G120 WeakPolarHBondContact O-CA 3.19Å; G59-G120 PolarHBondContact O-N 2.82Å
60H86.7Confident87.4Confident9 Ų933.9 Ų33.94%0.04219%0.186CC..  trans-126.5141166-71.481.5000109.5L66 S69 Y121H60-L66 HydrophobicContact CB-CB 4.06Å; H60-L66 HydrophobicContact CB-CD1 4.15Å; H60-L66 VanDerWaalsContact CD2-CA 3.49Å; H60-L66 WeakPolarHBondContact CD2-CA 3.24Å; H60-L66 PolarHBondContact CD2-N 3.08Å; H60-S69 PolarHBondContact NE2-OG 3.5Å; H60-Y121 PolarHBondContact CE1-N 3.15Å; H60-Y121 PolarHBondContact NE2-N 2.94Å
61T85.1Confident87.7Confident38 Ų3836.1 Ų36.123%0.23320%0.195CC..  trans-115.8-30.6-179.150.20000111.9P35 R38 C119 E162P35-T61 HydrophobicContact CG-CG2 4.39Å; R38-T61 VanDerWaalsContact CZ-CG2 3.44Å; R38-T61 VanDerWaalsContact NE-CG2 3.32Å; R38-T61 VanDerWaalsContact NH2-CB 3.33Å; T61-C119 WeakPolarHBondContact CG2-SG 3.15Å; T61-E162 WeakPolarHBondContact CB-OE2 3.49Å; T61-E162 PolarHBondContact OG1-OE1 3.47Å; T61-E162 PolarHBondContact OG1-OE2 3.34Å
62A85Confident87.9Confident24 Ų2432.1 Ų32.120%0.19818%0.178CC..SBendtrans-105.2134.2175.400000111.2G65 L66 E162A62-G65 PolarHBondContact O-N 3.33Å; A62-L66 PolarHBondContact O-N 3.37Å; A62-E162 HydrophobicContact CB-CB 4.48Å
63L86.8Confident88Confident84 Ų8431 Ų3144%0.4417%0.174SC..Hα-helixtrans-57.2-42.7176.2-178.871.4000113.1W29 G65 L66 L67W29-L63 HydrophobicContact CH2-CD1 3.89Å; W29-L63 HydrophobicContact CZ2-CB 4.24Å; W29-L63 HydrophobicContact CZ2-CD1 3.78Å; L63-G65 PolarHBondContact O-N 3.26Å; L63-L66 WeakPolarHBondContact O-CB 3.43Å; L63-L66 PolarHBondContact O-N 2.98Å; L63-L67 HydrophobicContact CD1-CD1 4.4Å; L63-L67 HydrophobicContact CD1-CG 4.18Å; L63-L67 HydrophobicContact CD2-CD1 4.35Å; L63-L67 HydrophobicContact CG-CD1 3.96Å; L63-L67 HydrophobicContact CG-CG 4.16Å; L63-L67 WeakPolarHBondContact O-CG 3.24Å; L63-L67 PolarHBondContact O-N 3.31Å
64P86.6Confident88Confident53 Ų5332.1 Ų32.134%0.34418%0.182SC..Hα-helixtrans-60.5-42.2-180-24.635.1000113.3L66 L67 L68 L159P64-L66 VanDerWaalsContact C-N 3.33Å; P64-L66 PolarHBondContact O-N 3.42Å; P64-L67 PolarHBondContact O-N 2.86Å; P64-L68 WeakPolarHBondContact O-CB 3.39Å; P64-L68 PolarHBondContact O-N 3.25Å; P64-L159 VanDerWaalsContact CB-O 3.23Å; P64-L159 WeakPolarHBondContact CB-O 3.47Å
65G85.1Confident87.9Confident5 Ų532 Ų325%0.05218%0.184CC..Hα-helixtrans-64.5-36.9176.800000112.7A62 L63 S69A62-G65 PolarHBondContact O-N 3.33Å; L63-G65 PolarHBondContact O-N 3.26Å; G65-S69 PolarHBondContact O-N 3.05Å; G65-S69 VanDerWaalsContact O-N 3.1Å; G65-S69 PolarHBondContact O-OG 2.94Å
66L89.4Confident87.7Confident5 Ų531 Ų313%0.02618%0.178CC..Hα-helixtrans-64.9-52.4173.2179.172.5000110.9L25 W29 H60 A62 L63 P64 L68 S69 L70L25-L66 HydrophobicContact CB-CD1 3.96Å; W29-L66 HydrophobicContact CB-CD1 4.35Å; W29-L66 HydrophobicContact CB-CD2 3.85Å; W29-L66 HydrophobicContact CD2-CD2 3.62Å; W29-L66 HydrophobicContact CE3-CD2 4.04Å; W29-L66 HydrophobicContact CG-CD2 3.52Å; H60-L66 HydrophobicContact CB-CB 4.06Å; H60-L66 HydrophobicContact CB-CD1 4.15Å; H60-L66 VanDerWaalsContact CD2-CA 3.49Å; H60-L66 WeakPolarHBondContact CD2-CA 3.24Å; H60-L66 PolarHBondContact CD2-N 3.08Å; A62-L66 PolarHBondContact O-N 3.37Å; L63-L66 WeakPolarHBondContact O-CB 3.43Å; L63-L66 PolarHBondContact O-N 2.98Å; P64-L66 VanDerWaalsContact C-N 3.33Å; P64-L66 PolarHBondContact O-N 3.42Å; L66-L68 VanDerWaalsContact C-N 3.27Å; L66-L68 PolarHBondContact O-N 3.48Å; L66-S69 WeakPolarHBondContact O-CA 3.36Å; L66-S69 WeakPolarHBondContact O-CB 3.25Å; L66-S69 PolarHBondContact O-N 3.37Å; L66-L70 HydrophobicContact CD1-CD1 4.22Å; L66-L70 HydrophobicContact CD1-CG 4.22Å; L66-L70 HydrophobicContact CD2-CD1 4.25Å; L66-L70 HydrophobicContact CG-CD1 3.85Å; L66-L70 HydrophobicContact CG-CG 4.2Å; L66-L70 WeakPolarHBondContact O-CG 3.17Å; L66-L70 PolarHBondContact O-N 2.9Å
67L90.8Very high87.5Confident98 Ų9831 Ų3151%0.51318%0.178SC..Hα-helixtrans-57.6-42-179.3-71.7176.4000111.6L63 P64 S69 L70 L71L63-L67 HydrophobicContact CD1-CD1 4.4Å; L63-L67 HydrophobicContact CD1-CG 4.18Å; L63-L67 HydrophobicContact CD2-CD1 4.35Å; L63-L67 HydrophobicContact CG-CD1 3.96Å; L63-L67 HydrophobicContact CG-CG 4.16Å; L63-L67 WeakPolarHBondContact O-CG 3.24Å; L63-L67 PolarHBondContact O-N 3.31Å; P64-L67 PolarHBondContact O-N 2.86Å; L67-S69 VanDerWaalsContact C-N 3.35Å; L67-S69 PolarHBondContact O-N 2.98Å; L67-L70 PolarHBondContact O-N 3.48Å; L67-L71 WeakPolarHBondContact O-CB 3.29Å; L67-L71 PolarHBondContact O-N 3.21Å
68L89Confident87.5Confident13 Ų1335.3 Ų35.37%0.06819%0.193CC..Hα-helixtrans-64.4-40.9176.9-168.260.2000111.2P64 L66 L71 L72 M122 L152 L155P64-L68 WeakPolarHBondContact O-CB 3.39Å; P64-L68 PolarHBondContact O-N 3.25Å; L66-L68 VanDerWaalsContact C-N 3.27Å; L66-L68 PolarHBondContact O-N 3.48Å; L68-L71 PolarHBondContact O-N 2.97Å; L68-L72 HydrophobicContact CD1-CD1 4.35Å; L68-L72 HydrophobicContact CG-CD1 3.99Å; L68-L72 WeakPolarHBondContact O-CB 3.34Å; L68-L72 WeakPolarHBondContact O-CD1 3.38Å; L68-L72 WeakPolarHBondContact O-CG 3.31Å; L68-L72 PolarHBondContact O-N 3.23Å; L68-M122 HydrophobicContact CB-CE 3.68Å; L68-M122 HydrophobicContact CD2-CE 3.58Å; L68-M122 HydrophobicContact CD2-SD 4.07Å; L68-M122 HydrophobicContact CG-CE 3.47Å; L68-M122 VanDerWaalsContact CG-CE 3.47Å; L68-M122 HydrophobicContact CG-SD 4.31Å; L68-L152 HydrophobicContact CD2-CD1 4.21Å; L68-L155 HydrophobicContact CD1-CD2 3.81Å; L68-L155 HydrophobicContact CD2-CD2 4.34Å; L68-L155 HydrophobicContact CD2-CG 4.47Å
69S89.8Confident87.4Confident0 Ų036 Ų360%019%0.194CC..Hα-helixtrans-64.6-43.1175.2-530000111.8H60 G65 L66 L67 L71 L72 L73H60-S69 PolarHBondContact NE2-OG 3.5Å; G65-S69 PolarHBondContact O-N 3.05Å; G65-S69 VanDerWaalsContact O-N 3.1Å; G65-S69 PolarHBondContact O-OG 2.94Å; L66-S69 WeakPolarHBondContact O-CA 3.36Å; L66-S69 WeakPolarHBondContact O-CB 3.25Å; L66-S69 PolarHBondContact O-N 3.37Å; L67-S69 VanDerWaalsContact C-N 3.35Å; L67-S69 PolarHBondContact O-N 2.98Å; S69-L71 VanDerWaalsContact C-N 3.27Å; S69-L71 PolarHBondContact O-N 3.43Å; S69-L72 PolarHBondContact O-N 2.67Å; S69-L73 WeakPolarHBondContact O-CG 3.3Å; S69-L73 PolarHBondContact O-N 3.32Å
70L92Very high87.4Confident34 Ų3436 Ų3618%0.17819%0.193CC..Hα-helixtrans-67.4-24.1177-68178.2000113.3M22 L66 L67 P74M22-L70 HydrophobicContact CB-CD2 3.91Å; M22-L70 HydrophobicContact CG-CD2 4.06Å; L66-L70 HydrophobicContact CD1-CD1 4.22Å; L66-L70 HydrophobicContact CD1-CG 4.22Å; L66-L70 HydrophobicContact CD2-CD1 4.25Å; L66-L70 HydrophobicContact CG-CD1 3.85Å; L66-L70 HydrophobicContact CG-CG 4.2Å; L66-L70 WeakPolarHBondContact O-CG 3.17Å; L66-L70 PolarHBondContact O-N 2.9Å; L67-L70 PolarHBondContact O-N 3.48Å; L70-P74 WeakPolarHBondContact O-CD 3.32Å; L70-P74 VanDerWaalsContact O-CG 3.24Å; L70-P74 WeakPolarHBondContact O-CG 3.45Å
71L91.1Very high87.5Confident110 Ų11035.8 Ų35.858%0.57619%0.192SC*.Hα-helixtrans-82.1-35.2173.8-173.368.2000112L67 L68 S69 P74 T75L67-L71 WeakPolarHBondContact O-CB 3.29Å; L67-L71 PolarHBondContact O-N 3.21Å; L68-L71 PolarHBondContact O-N 2.97Å; S69-L71 VanDerWaalsContact C-N 3.27Å; S69-L71 PolarHBondContact O-N 3.43Å; L71-P74 WeakPolarHBondContact O-CD 3.3Å; L71-P74 WeakPolarHBondContact O-CG 3.44Å; L71-T75 WeakPolarHBondContact O-CG2 3.22Å; L71-T75 PolarHBondContact O-OG1 3.49Å
72L88Confident87.5Confident21 Ų2137.7 Ų37.711%0.1121%0.207CC..Hα-helixtrans-79.8-33.5-178.1-67.3167.9000112.9L68 S69 T75 L76 G77 M122 L152L68-L72 HydrophobicContact CD1-CD1 4.35Å; L68-L72 HydrophobicContact CG-CD1 3.99Å; L68-L72 WeakPolarHBondContact O-CB 3.34Å; L68-L72 WeakPolarHBondContact O-CD1 3.38Å; L68-L72 WeakPolarHBondContact O-CG 3.31Å; L68-L72 PolarHBondContact O-N 3.23Å; S69-L72 PolarHBondContact O-N 2.67Å; L72-T75 WeakPolarHBondContact CA-OG1 3.11Å; L72-T75 PolarHBondContact O-N 3.49Å; L72-T75 PolarHBondContact O-OG1 2.87Å; L72-L76 HydrophobicContact CB-CD1 4.46Å; L72-L76 HydrophobicContact CD2-CD1 3.64Å; L72-L76 HydrophobicContact CD2-CG 4.34Å; L72-L76 WeakPolarHBondContact O-CA 3.29Å; L72-L76 WeakPolarHBondContact O-CB 3.45Å; L72-L76 PolarHBondContact O-N 2.89Å; L72-G77 PolarHBondContact O-N 3.5Å; L72-G77 VanDerWaalsContact O-N 3.09Å; L72-M122 HydrophobicContact CD1-CE 3.82Å; L72-M122 HydrophobicContact CD1-SD 3.62Å; L72-L152 HydrophobicContact CD1-CD1 3.55Å; L72-L152 HydrophobicContact CD1-CD2 3.99Å; L72-L152 HydrophobicContact CD1-CG 4.43Å; L72-L152 HydrophobicContact CD2-CD1 4.41Å
73L88.8Confident87.4Confident0 Ų041.9 Ų41.90%022%0.222CC..Iπ-helixtrans-57.2-49.2175.4-78167.8000114.1L21 M22 L25 S69 T75 G77 W78 Y121L21-L73 HydrophobicContact CB-CD1 4.15Å; L21-L73 HydrophobicContact CB-CD2 4.25Å; L21-L73 HydrophobicContact CD1-CD2 4.17Å; M22-L73 HydrophobicContact CB-CD1 4.41Å; M22-L73 HydrophobicContact CG-CB 3.58Å; M22-L73 HydrophobicContact CG-CD1 3.57Å; M22-L73 HydrophobicContact CG-CG 4.21Å; M22-L73 HydrophobicContact SD-CB 4.04Å; L25-L73 HydrophobicContact CD1-CD1 3.68Å; S69-L73 WeakPolarHBondContact O-CG 3.3Å; S69-L73 PolarHBondContact O-N 3.32Å; L73-T75 VanDerWaalsContact C-N 3.31Å; L73-T75 PolarHBondContact O-N 3.43Å; L73-G77 CarbonylContact O-C 3.22Å; L73-G77 VanDerWaalsContact O-C 3.32Å; L73-G77 WeakPolarHBondContact O-CA 3.41Å; L73-G77 PolarHBondContact O-N 3.15Å; L73-W78 PolarHBondContact O-N 3.32Å; L73-Y121 HydrophobicContact CD2-CD1 4.2Å; L73-Y121 HydrophobicContact CD2-CE1 3.69Å; L73-Y121 HydrophobicContact CG-CE1 4.44Å
74P86.4Confident87.2Confident47 Ų4739.4 Ų39.431%0.30521%0.209SC..Iπ-helixtrans-75.4-19.6179.129-34.9000113.2M22 L70 L71 W78M22-P74 HydrophobicContact CE-CG 4.14Å; M22-P74 HydrophobicContact SD-CB 4.15Å; M22-P74 HydrophobicContact SD-CG 4.17Å; L70-P74 WeakPolarHBondContact O-CD 3.32Å; L70-P74 VanDerWaalsContact O-CG 3.24Å; L70-P74 WeakPolarHBondContact O-CG 3.45Å; L71-P74 WeakPolarHBondContact O-CD 3.3Å; L71-P74 WeakPolarHBondContact O-CG 3.44Å; P74-W78 WeakPolarHBondContact O-CB 3.29Å
75T85.7Confident87.2Confident64 Ų6438.3 Ų38.339%0.39321%0.207SC..Iπ-helixtrans-93.6-59.9-179.254.30000111.9L71 L72 L73 W79L71-T75 WeakPolarHBondContact O-CG2 3.22Å; L71-T75 PolarHBondContact O-OG1 3.49Å; L72-T75 WeakPolarHBondContact CA-OG1 3.11Å; L72-T75 PolarHBondContact O-N 3.49Å; L72-T75 PolarHBondContact O-OG1 2.87Å; L73-T75 VanDerWaalsContact C-N 3.31Å; L73-T75 PolarHBondContact O-N 3.43Å; T75-W79 WeakPolarHBondContact O-CB 3.2Å
76L83.6Confident87.4Confident7 Ų740.6 Ų40.64%0.03722%0.22CC..Iπ-helixtrans-86.5-44.5179.4-64.3174.5000112.1L72 W79 Q80 L129 W138 L148L72-L76 HydrophobicContact CB-CD1 4.46Å; L72-L76 HydrophobicContact CD2-CD1 3.64Å; L72-L76 HydrophobicContact CD2-CG 4.34Å; L72-L76 WeakPolarHBondContact O-CA 3.29Å; L72-L76 WeakPolarHBondContact O-CB 3.45Å; L72-L76 PolarHBondContact O-N 2.89Å; L76-W79 PolarHBondContact O-N 3.48Å; L76-Q80 WeakPolarHBondContact O-CB 3.18Å; L76-Q80 VanDerWaalsContact O-CG 3.24Å; L76-Q80 WeakPolarHBondContact O-CG 3.47Å; L76-Q80 PolarHBondContact O-N 3.08Å; L76-L129 HydrophobicContact CD1-CD1 3.91Å; L76-L129 HydrophobicContact CD1-CD2 3.84Å; L76-L129 HydrophobicContact CD1-CG 4.15Å; L76-L129 HydrophobicContact CD2-CD2 4.13Å; L76-W138 HydrophobicContact CD2-CH2 4.45Å; L76-W138 HydrophobicContact CD2-CZ2 4.42Å; L76-L148 HydrophobicContact CD2-CD2 4.48Å
77G85.8Confident87.4Confident0 Ų045.3 Ų45.30%025%0.249CC..Iπ-helixtrans-62.5-44.8-178.300000111.8S18 L72 L73 W79 Q80 E81S18-G77 PolarHBondContact OG-O 3.08Å; L72-G77 PolarHBondContact O-N 3.5Å; L72-G77 VanDerWaalsContact O-N 3.09Å; L73-G77 CarbonylContact O-C 3.22Å; L73-G77 VanDerWaalsContact O-C 3.32Å; L73-G77 WeakPolarHBondContact O-CA 3.41Å; L73-G77 PolarHBondContact O-N 3.15Å; G77-W79 PolarHBondContact O-N 2.92Å; G77-Q80 PolarHBondContact O-N 2.94Å; G77-E81 VanDerWaalsContact O-CB 3.25Å; G77-E81 WeakPolarHBondContact O-CB 3.34Å; G77-E81 PolarHBondContact O-N 2.88Å
78W88.2Confident87.2Confident93 Ų9345.8 Ų45.835%0.35224%0.244SC..Hα-helixtrans-56.8-53.1172.5-172.5-10.3000110.8P15 S18 L73 P74 Q80 E81 C82P15-W78 HydrophobicContact CB-CB 4.04Å; P15-W78 HydrophobicContact CB-CD2 4.33Å; P15-W78 HydrophobicContact CB-CG 3.77Å; P15-W78 VanDerWaalsContact CD-CE2 3.49Å; P15-W78 HydrophobicContact CG-CB 3.83Å; P15-W78 HydrophobicContact CG-CD2 3.52Å; P15-W78 HydrophobicContact CG-CE3 4Å; P15-W78 HydrophobicContact CG-CG 3.43Å; P15-W78 VanDerWaalsContact CG-CG 3.43Å; S18-W78 PolarHBondContact OG-N 3.12Å; L73-W78 PolarHBondContact O-N 3.32Å; P74-W78 WeakPolarHBondContact O-CB 3.29Å; W78-Q80 VanDerWaalsContact C-N 3.31Å; W78-Q80 PolarHBondContact O-N 3.46Å; W78-E81 PolarHBondContact O-N 2.95Å; W78-E81 VanDerWaalsContact O-N 3.15Å; W78-C82 PolarHBondContact NE1-SG 2.67Å; W78-C82 PolarHBondContact O-N 2.87Å
79W85Confident87.2Confident50 Ų5045.2 Ų45.219%0.18924%0.241CC..Hα-helixtrans-56.5-46.6-179.9-179.982.5000111.5T75 L76 G77 E81 C82 H83 G137 W138 P139T75-W79 WeakPolarHBondContact O-CB 3.2Å; L76-W79 PolarHBondContact O-N 3.48Å; G77-W79 PolarHBondContact O-N 2.92Å; W79-E81 PolarHBondContact O-N 2.96Å; W79-C82 PolarHBondContact O-N 3Å; W79-H83 AromaticContact CD1-CD2 3.61Å; W79-H83 AromaticContact CD1-NE2 3.72Å; W79-H83 AromaticContact CD2-CD2 3.82Å; W79-H83 AromaticContact CE2-CD2 3.1Å; W79-H83 AromaticContact CE2-CG 3.9Å; W79-H83 AromaticContact CE2-NE2 3.4Å; W79-H83 HydrophobicContact CH2-CB 4.37Å; W79-H83 HydrophobicContact CZ2-CB 4.24Å; W79-H83 AromaticContact CZ2-CD2 3.29Å; W79-H83 WeakPolarHBondContact CZ2-CD2 3.34Å; W79-H83 AromaticContact CZ2-CG 3.62Å; W79-H83 AromaticContact CZ2-NE2 3.59Å; W79-H83 AromaticContact NE1-CD2 3.05Å; W79-H83 PolarHBondContact NE1-CD2 2.9Å; W79-H83 AromaticContact NE1-NE2 2.94Å; W79-H83 PolarHBondContact NE1-NE2 2.99Å; W79-H83 PolarHBondContact O-CD2 3.01Å; W79-H83 VanDerWaalsContact O-CD2 3.26Å; W79-H83 PolarHBondContact O-N 3.17Å; W79-H83 VanDerWaalsContact O-N 3.08Å; W79-G137 WeakPolarHBondContact CZ2-O 3.42Å; W79-W138 HydrophobicContact CE3-CE3 4.28Å; W79-W138 HydrophobicContact CE3-CH2 4.21Å; W79-W138 AromaticContact CE3-CZ3 3.89Å; W79-W138 HydrophobicContact CE3-CZ3 3.89Å; W79-W138 HydrophobicContact CH2-CD2 4.3Å; W79-W138 AromaticContact CH2-CE3 3.64Å; W79-W138 HydrophobicContact CH2-CE3 3.64Å; W79-W138 HydrophobicContact CH2-CZ3 4.04Å; W79-W138 HydrophobicContact CZ3-CD2 4.23Å; W79-W138 AromaticContact CZ3-CE3 3.36Å; W79-W138 HydrophobicContact CZ3-CE3 3.36Å; W79-W138 HydrophobicContact CZ3-CH2 4.01Å; W79-W138 AromaticContact CZ3-CZ3 3.25Å; W79-W138 HydrophobicContact CZ3-CZ3 3.25Å; W79-P139 HydrophobicContact CD2-CG 3.86Å; W79-P139 HydrophobicContact CE3-CG 4.46Å; W79-P139 HydrophobicContact CG-CG 4.25Å; W79-P139 HydrophobicContact CZ2-CG 4.12Å
80Q86.6Confident87.3Confident0 Ų048.5 Ų48.50%026%0.258CS..Hα-helixtrans-61.4-43.7176.7-71.4168.1-20.600112.2L76 G77 W78 H83 L84 F89 M128 Q132L76-Q80 WeakPolarHBondContact O-CB 3.18Å; L76-Q80 VanDerWaalsContact O-CG 3.24Å; L76-Q80 WeakPolarHBondContact O-CG 3.47Å; L76-Q80 PolarHBondContact O-N 3.08Å; G77-Q80 PolarHBondContact O-N 2.94Å; W78-Q80 VanDerWaalsContact C-N 3.31Å; W78-Q80 PolarHBondContact O-N 3.46Å; Q80-H83 PolarHBondContact O-N 3.31Å; Q80-L84 VanDerWaalsContact O-CB 3.28Å; Q80-L84 WeakPolarHBondContact O-CB 3.42Å; Q80-L84 WeakPolarHBondContact O-CG 3.32Å; Q80-L84 PolarHBondContact O-N 3.2Å; Q80-F89 HydrophobicContact CB-CD2 3.85Å; Q80-F89 HydrophobicContact CB-CE2 4.14Å; Q80-M128 PolarHBondContact OE1-SD 2.99Å; Q80-Q132 VanDerWaalsContact NE2-NE2 3.18Å
81E89.4Confident87.2Confident5 Ų549.3 Ų49.32%0.02326%0.261CS..Hα-helixtrans-65-39178.4177.9165.8-174.700112.3P15 L16 A17 S18 G77 W78 W79 G85 T86 F89P15-E81 VanDerWaalsContact C-OE2 3.25Å; P15-E81 VanDerWaalsContact CA-CD 3.5Å; P15-E81 WeakPolarHBondContact CA-OE2 3.36Å; P15-E81 HydrophobicContact CB-CB 4.39Å; P15-E81 HydrophobicContact CB-CG 4.25Å; P15-E81 WeakPolarHBondContact CB-OE2 3.34Å; L16-E81 PolarHBondContact N-OE1 2.95Å; A17-E81 PolarHBondContact N-OE1 3.43Å; A17-E81 PolarHBondContact N-OE2 3.16Å; S18-E81 WeakPolarHBondContact CB-OE2 3.29Å; S18-E81 PolarHBondContact N-OE2 3.37Å; S18-E81 PolarHBondContact OG-OE2 3.5Å; G77-E81 VanDerWaalsContact O-CB 3.25Å; G77-E81 WeakPolarHBondContact O-CB 3.34Å; G77-E81 PolarHBondContact O-N 2.88Å; W78-E81 PolarHBondContact O-N 2.95Å; W78-E81 VanDerWaalsContact O-N 3.15Å; W79-E81 PolarHBondContact O-N 2.96Å; E81-G85 CarbonylContact O-C 3.29Å; E81-G85 WeakPolarHBondContact O-CA 3.26Å; E81-G85 PolarHBondContact O-N 2.99Å; E81-T86 WeakPolarHBondContact OE1-CB 3.28Å; E81-T86 VanDerWaalsContact OE1-CG2 3.29Å; E81-T86 WeakPolarHBondContact OE1-CG2 3.44Å; E81-T86 PolarHBondContact OE1-OG1 3.26Å; E81-F89 HydrophobicContact CB-CB 4.28Å; E81-F89 HydrophobicContact CB-CD1 4.37Å; E81-F89 HydrophobicContact CB-CG 4.13Å
82C84.8Confident87.1Confident79 Ų7944.6 Ų44.653%0.53424%0.237SC..Hα-helixtrans-68.7-34.4175.7-79.50000113W78 W79W78-C82 PolarHBondContact NE1-SG 2.67Å; W78-C82 PolarHBondContact O-N 2.87Å; W79-C82 PolarHBondContact O-N 3Å
83H81.8Confident87.3Confident112 Ų11244 Ų4452%0.51923%0.234SC..Hα-helixtrans-86-36.7-177.8-83.7-83.1000113.7W79 Q80W79-H83 AromaticContact CD1-CD2 3.61Å; W79-H83 AromaticContact CD1-NE2 3.72Å; W79-H83 AromaticContact CD2-CD2 3.82Å; W79-H83 AromaticContact CE2-CD2 3.1Å; W79-H83 AromaticContact CE2-CG 3.9Å; W79-H83 AromaticContact CE2-NE2 3.4Å; W79-H83 HydrophobicContact CH2-CB 4.37Å; W79-H83 HydrophobicContact CZ2-CB 4.24Å; W79-H83 AromaticContact CZ2-CD2 3.29Å; W79-H83 WeakPolarHBondContact CZ2-CD2 3.34Å; W79-H83 AromaticContact CZ2-CG 3.62Å; W79-H83 AromaticContact CZ2-NE2 3.59Å; W79-H83 AromaticContact NE1-CD2 3.05Å; W79-H83 PolarHBondContact NE1-CD2 2.9Å; W79-H83 AromaticContact NE1-NE2 2.94Å; W79-H83 PolarHBondContact NE1-NE2 2.99Å; W79-H83 PolarHBondContact O-CD2 3.01Å; W79-H83 VanDerWaalsContact O-CD2 3.26Å; W79-H83 PolarHBondContact O-N 3.17Å; W79-H83 VanDerWaalsContact O-N 3.08Å; Q80-H83 PolarHBondContact O-N 3.31Å
84L83Confident87.4Confident31 Ų3146.7 Ų46.716%0.16225%0.251CS..Hα-helixtrans-92.1-23.7179.7-61.2176.5000112.6Q80 R88Q80-L84 VanDerWaalsContact O-CB 3.28Å; Q80-L84 WeakPolarHBondContact O-CB 3.42Å; Q80-L84 WeakPolarHBondContact O-CG 3.32Å; Q80-L84 PolarHBondContact O-N 3.2Å; L84-R88 HydrophobicContact CB-CB 4.06Å; L84-R88 WeakPolarHBondContact O-CB 3.31Å; L84-R88 VanDerWaalsContact O-CD 3.29Å; L84-R88 WeakPolarHBondContact O-CD 3.22Å
85G87.3Confident87.7Confident31 Ų3145.4 Ų45.432%0.3224%0.242SC..  trans85.7149.7-164.700000112.3E81 V87 R88 F89E81-G85 CarbonylContact O-C 3.29Å; E81-G85 WeakPolarHBondContact O-CA 3.26Å; E81-G85 PolarHBondContact O-N 2.99Å; G85-V87 VanDerWaalsContact C-N 3.35Å; G85-V87 PolarHBondContact O-N 2.86Å; G85-R88 PolarHBondContact O-N 3.44Å; G85-F89 WeakPolarHBondContact O-CB 3.36Å; G85-F89 PolarHBondContact O-N 3.4Å
86T88.9Confident87.9Confident53 Ų5342.5 Ų42.533%0.32522%0.224SC..Hα-helixtrans-53.8-44.3-176.2-56.30000113.7A17 E81 F89 L90A17-T86 HydrophobicContact CB-CG2 3.72Å; E81-T86 WeakPolarHBondContact OE1-CB 3.28Å; E81-T86 VanDerWaalsContact OE1-CG2 3.29Å; E81-T86 WeakPolarHBondContact OE1-CG2 3.44Å; E81-T86 PolarHBondContact OE1-OG1 3.26Å; T86-F89 PolarHBondContact O-N 2.9Å; T86-L90 HydrophobicContact CG2-CD1 4.27Å; T86-L90 WeakPolarHBondContact O-CG 3.4Å; T86-L90 PolarHBondContact O-N 3.42Å
87V88.8Confident88.4Confident104 Ų10442.2 Ų42.263%0.6322%0.222SC*.Hα-helixtrans-65.8-46.3-178.4177.70000111.2G85 L90 H91 L188G85-V87 VanDerWaalsContact C-N 3.35Å; G85-V87 PolarHBondContact O-N 2.86Å; V87-L90 PolarHBondContact O-N 2.84Å; V87-H91 VanDerWaalsContact O-CB 3.3Å; V87-H91 WeakPolarHBondContact O-CB 3.27Å; V87-H91 PolarHBondContact O-N 2.91Å; V87-L188 HydrophobicContact CG1-CD1 4.27Å
88R87.6Confident88.7Confident108 Ų10845.5 Ų45.541%0.40824%0.24SC..Hα-helixtrans-68.3-37.2179.5-70177.863.1175.97.1111.6L84 G85 H91 N92L84-R88 HydrophobicContact CB-CB 4.06Å; L84-R88 WeakPolarHBondContact O-CB 3.31Å; L84-R88 VanDerWaalsContact O-CD 3.29Å; L84-R88 WeakPolarHBondContact O-CD 3.22Å; G85-R88 PolarHBondContact O-N 3.44Å; R88-H91 PolarHBondContact O-N 3.33Å; R88-N92 VanDerWaalsContact O-CB 3.29Å; R88-N92 WeakPolarHBondContact O-CB 3.46Å; R88-N92 VanDerWaalsContact O-CG 3.27Å; R88-N92 PolarHBondContact O-N 2.81Å; R88-N92 PolarHBondContact O-OD1 3.37Å
89F89.3Confident88.8Confident0 Ų041.9 Ų41.90%023%0.23CC..Hα-helixtrans-59.9-49.3173.2170.2-100.3000111.8A17 L21 Q80 E81 G85 T86 S93 M128A17-F89 HydrophobicContact CB-CD1 3.66Å; A17-F89 HydrophobicContact CB-CE1 3.87Å; L21-F89 HydrophobicContact CD1-CE1 3.83Å; L21-F89 HydrophobicContact CD1-CZ 4.2Å; Q80-F89 HydrophobicContact CB-CD2 3.85Å; Q80-F89 HydrophobicContact CB-CE2 4.14Å; E81-F89 HydrophobicContact CB-CB 4.28Å; E81-F89 HydrophobicContact CB-CD1 4.37Å; E81-F89 HydrophobicContact CB-CG 4.13Å; G85-F89 WeakPolarHBondContact O-CB 3.36Å; G85-F89 PolarHBondContact O-N 3.4Å; T86-F89 PolarHBondContact O-N 2.9Å; F89-S93 VanDerWaalsContact O-CB 3.29Å; F89-S93 WeakPolarHBondContact O-CB 3.05Å; F89-S93 PolarHBondContact O-N 3.3Å; F89-M128 HydrophobicContact CD2-CE 3.97Å; F89-M128 HydrophobicContact CD2-SD 4.26Å; F89-M128 HydrophobicContact CE2-CE 3.74Å; F89-M128 HydrophobicContact CE2-SD 3.78Å; F89-M128 HydrophobicContact CZ-CE 4.36Å
90L90.7Very high89.1Confident69 Ų6939.5 Ų39.536%0.36122%0.221SC..Hα-helixtrans-64.3-42.5177.4-75.4174.2000112.1A17 T86 V87 S93 T94A17-L90 HydrophobicContact CB-CD1 3.92Å; A17-L90 HydrophobicContact CB-CD2 3.6Å; A17-L90 HydrophobicContact CB-CG 3.58Å; T86-L90 HydrophobicContact CG2-CD1 4.27Å; T86-L90 WeakPolarHBondContact O-CG 3.4Å; T86-L90 PolarHBondContact O-N 3.42Å; V87-L90 PolarHBondContact O-N 2.84Å; L90-S93 WeakPolarHBondContact O-CB 3.49Å; L90-S93 PolarHBondContact O-N 3.23Å; L90-T94 WeakPolarHBondContact O-CB 3.42Å; L90-T94 PolarHBondContact O-N 3.23Å; L90-T94 PolarHBondContact O-OG1 3.07Å
91H90.4Very high89.3Confident52 Ų5239.5 Ų39.524%0.24122%0.221CC..Hα-helixtrans-59.7-53176.9-178.572.9000111.2V87 R88 S93 T94 V95 L186 L188V87-H91 VanDerWaalsContact O-CB 3.3Å; V87-H91 WeakPolarHBondContact O-CB 3.27Å; V87-H91 PolarHBondContact O-N 2.91Å; R88-H91 PolarHBondContact O-N 3.33Å; H91-S93 VanDerWaalsContact C-N 3.3Å; H91-S93 PolarHBondContact O-N 3.42Å; H91-T94 WeakPolarHBondContact O-CB 3.38Å; H91-T94 PolarHBondContact O-N 2.69Å; H91-T94 VanDerWaalsContact O-N 3.11Å; H91-V95 WeakPolarHBondContact O-CG2 3.43Å; H91-V95 PolarHBondContact O-N 3.2Å; H91-L186 PolarHBondContact NE2-O 3.41Å; H91-L188 HydrophobicContact CB-CD1 3.77Å
92N90.1Very high89.4Confident11 Ų1143.7 Ų43.76%0.05924%0.242CC..Hα-helixtrans-61.8-39.4178.2-72.56.6000111.3R88 T94 L96 Y178R88-N92 VanDerWaalsContact O-CB 3.29Å; R88-N92 WeakPolarHBondContact O-CB 3.46Å; R88-N92 VanDerWaalsContact O-CG 3.27Å; R88-N92 PolarHBondContact O-N 2.81Å; R88-N92 PolarHBondContact O-OD1 3.37Å; N92-T94 VanDerWaalsContact C-N 3.34Å; N92-T94 PolarHBondContact O-N 3.31Å; N92-L96 VanDerWaalsContact O-CB 3.24Å; N92-L96 WeakPolarHBondContact O-CB 3.26Å; N92-L96 WeakPolarHBondContact O-CD1 3.42Å; N92-L96 WeakPolarHBondContact O-CG 3.49Å; N92-L96 PolarHBondContact O-N 3.26Å; N92-Y178 PolarHBondContact ND2-OH 3.27Å
93S91.1Very high89.6Confident9 Ų942.4 Ų42.46%0.06323%0.23CC..Hα-helixtrans-57.7-47.6173.4-172.70000111.9F89 L90 H91 A97 Y121 M128F89-S93 VanDerWaalsContact O-CB 3.29Å; F89-S93 WeakPolarHBondContact O-CB 3.05Å; F89-S93 PolarHBondContact O-N 3.3Å; L90-S93 WeakPolarHBondContact O-CB 3.49Å; L90-S93 PolarHBondContact O-N 3.23Å; H91-S93 VanDerWaalsContact C-N 3.3Å; H91-S93 PolarHBondContact O-N 3.42Å; S93-A97 WeakPolarHBondContact O-CB 3.44Å; S93-A97 PolarHBondContact O-N 3.21Å; S93-Y121 WeakPolarHBondContact OG-CE2 3.18Å; S93-Y121 PolarHBondContact OG-OH 3.49Å; S93-M128 VanDerWaalsContact N-CE 3.34Å
94T91.4Very high90Very high56 Ų5637 Ų3734%0.34421%0.205SC..Hα-helixtrans-65.6-47.8-178.5-54.60000111L54 L90 H91 N92 A97 L98L54-T94 HydrophobicContact CD1-CG2 3.86Å; L54-T94 HydrophobicContact CD2-CG2 4.26Å; L90-T94 WeakPolarHBondContact O-CB 3.42Å; L90-T94 PolarHBondContact O-N 3.23Å; L90-T94 PolarHBondContact O-OG1 3.07Å; H91-T94 WeakPolarHBondContact O-CB 3.38Å; H91-T94 PolarHBondContact O-N 2.69Å; H91-T94 VanDerWaalsContact O-N 3.11Å; N92-T94 VanDerWaalsContact C-N 3.34Å; N92-T94 PolarHBondContact O-N 3.31Å; T94-A97 PolarHBondContact O-N 3.3Å; T94-L98 HydrophobicContact CG2-CD1 4.17Å; T94-L98 WeakPolarHBondContact O-CB 3.31Å; T94-L98 VanDerWaalsContact O-CG 3.27Å; T94-L98 WeakPolarHBondContact O-CG 3.44Å; T94-L98 PolarHBondContact O-N 3.25Å
95V91.4Very high90.3Very high19 Ų1936.9 Ų36.912%0.11521%0.206CC..Hα-helixtrans-61.9-47.1178.8172.70000110.9H91 L98 A99 F183 L186H91-V95 WeakPolarHBondContact O-CG2 3.43Å; H91-V95 PolarHBondContact O-N 3.2Å; V95-L98 PolarHBondContact O-N 3.2Å; V95-A99 VanDerWaalsContact O-CB 3.29Å; V95-A99 WeakPolarHBondContact O-CB 3.29Å; V95-A99 PolarHBondContact O-N 3.23Å; V95-F183 HydrophobicContact CG1-CD1 4.15Å; V95-F183 HydrophobicContact CG1-CG 4.43Å; V95-L186 HydrophobicContact CG1-CD1 4.45Å
96L91.8Very high90.4Very high3 Ų340.3 Ų40.32%0.01622%0.216CC..Hα-helixtrans-68.5-36.4-179.8-67.2171.7000112N92 T100 A127 M128 T174 Y178N92-L96 VanDerWaalsContact O-CB 3.24Å; N92-L96 WeakPolarHBondContact O-CB 3.26Å; N92-L96 WeakPolarHBondContact O-CD1 3.42Å; N92-L96 WeakPolarHBondContact O-CG 3.49Å; N92-L96 PolarHBondContact O-N 3.26Å; L96-T100 WeakPolarHBondContact O-CB 3.48Å; L96-T100 PolarHBondContact O-N 3.47Å; L96-T100 PolarHBondContact O-OG1 2.81Å; L96-A127 HydrophobicContact CB-CB 3.97Å; L96-A127 HydrophobicContact CD1-CB 4.05Å; L96-A127 HydrophobicContact CD2-CB 4.13Å; L96-A127 HydrophobicContact CG-CB 4.27Å; L96-M128 HydrophobicContact CD1-CB 4.32Å; L96-M128 HydrophobicContact CD1-CG 3.6Å; L96-T174 HydrophobicContact CD2-CG2 3.92Å; L96-Y178 HydrophobicContact CD2-CD2 4.23Å; L96-Y178 HydrophobicContact CD2-CG 4.12Å
97A92.7Very high90.3Very high1 Ų140 Ų401%0.00821%0.212CC..Hα-helixtrans-61.8-50.1172.800000111L54 H56 A57 S93 T94 A99 T100 G101 V124L54-A97 HydrophobicContact CD1-CB 3.98Å; H56-A97 PolarHBondContact CE1-O 2.86Å; A57-A97 HydrophobicContact CB-CB 4.11Å; S93-A97 WeakPolarHBondContact O-CB 3.44Å; S93-A97 PolarHBondContact O-N 3.21Å; T94-A97 PolarHBondContact O-N 3.3Å; A97-A99 PolarHBondContact O-N 3.44Å; A97-T100 PolarHBondContact O-N 3.44Å; A97-G101 PolarHBondContact O-N 3.05Å; A97-V124 HydrophobicContact CB-CG2 3.75Å
98L91.8Very high90.2Very high70 Ų7036.4 Ų36.437%0.36619%0.193SC..Hα-helixtrans-60.1-47.4178-72.2173.5000111.9L53 L54 T94 V95 G101 L102L53-L98 HydrophobicContact CB-CD2 3.8Å; L54-L98 HydrophobicContact CB-CD2 4.13Å; T94-L98 HydrophobicContact CG2-CD1 4.17Å; T94-L98 WeakPolarHBondContact O-CB 3.31Å; T94-L98 VanDerWaalsContact O-CG 3.27Å; T94-L98 WeakPolarHBondContact O-CG 3.44Å; T94-L98 PolarHBondContact O-N 3.25Å; V95-L98 PolarHBondContact O-N 3.2Å; L98-G101 PolarHBondContact O-N 3.18Å; L98-L102 VanDerWaalsContact O-CB 3.28Å; L98-L102 WeakPolarHBondContact O-CB 3.38Å; L98-L102 PolarHBondContact O-N 2.83Å
99A91.6Very high90Very high17 Ų1734.5 Ų34.514%0.1421%0.207CC..Hα-helixtrans-65.2-40.6-179.900000112.1V95 A97 L102 L103 T174 F183V95-A99 VanDerWaalsContact O-CB 3.29Å; V95-A99 WeakPolarHBondContact O-CB 3.29Å; V95-A99 PolarHBondContact O-N 3.23Å; A97-A99 PolarHBondContact O-N 3.44Å; A99-L102 PolarHBondContact O-N 3.49Å; A99-L103 WeakPolarHBondContact O-CB 3.37Å; A99-L103 PolarHBondContact O-N 3.32Å; A99-T174 HydrophobicContact CB-CG2 3.44Å; A99-T174 VanDerWaalsContact CB-CG2 3.44Å; A99-F183 HydrophobicContact CB-CE1 3.89Å; A99-F183 HydrophobicContact CB-CZ 3.56Å
100T91.2Very high89.9Confident0 Ų041.2 Ų41.20%024%0.242CC..Hα-helixtrans-63.1-46.7175.1-59.70000111.2L96 A97 L103 A104 P123 C170L96-T100 WeakPolarHBondContact O-CB 3.48Å; L96-T100 PolarHBondContact O-N 3.47Å; L96-T100 PolarHBondContact O-OG1 2.81Å; A97-T100 PolarHBondContact O-N 3.44Å; T100-L103 PolarHBondContact O-N 2.77Å; T100-A104 WeakPolarHBondContact O-CB 3.48Å; T100-A104 PolarHBondContact O-N 3Å; T100-P123 HydrophobicContact CG2-CB 3.73Å; T100-C170 HydrophobicContact CG2-CB 3.98Å
101G90.1Very high89.5Confident0 Ų040.8 Ų40.80%025%0.254CS..Hα-helixtrans-63.4-41.7177.500000112.2A97 L98 A104 V105A97-G101 PolarHBondContact O-N 3.05Å; L98-G101 PolarHBondContact O-N 3.18Å; G101-A104 PolarHBondContact O-N 3.12Å; G101-V105 WeakPolarHBondContact O-CG2 3.02Å; G101-V105 PolarHBondContact O-N 3.3Å
102L91.3Very high89.2Confident92 Ų9241 Ų4148%0.48226%0.259SS..Hα-helixtrans-63.9-45.7177.1-175.164.7000111.3L98 A99 A104 V105 L106L98-L102 VanDerWaalsContact O-CB 3.28Å; L98-L102 WeakPolarHBondContact O-CB 3.38Å; L98-L102 PolarHBondContact O-N 2.83Å; A99-L102 PolarHBondContact O-N 3.49Å; L102-A104 VanDerWaalsContact C-N 3.33Å; L102-A104 PolarHBondContact O-N 3.03Å; L102-V105 PolarHBondContact O-N 3.09Å; L102-L106 HydrophobicContact CG-CD1 4.17Å; L102-L106 HydrophobicContact CG-CG 4.49Å; L102-L106 WeakPolarHBondContact O-CB 3.34Å; L102-L106 VanDerWaalsContact O-CG 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.37Å; L102-L106 PolarHBondContact O-N 3.26Å
103L90.3Very high88.6Confident52 Ų5245.7 Ų45.727%0.27229%0.293SS..Hα-helixtrans-60.5-43.2176.5-177.760000111.6A99 T100 V105 L106 L107 C170 L173A99-L103 WeakPolarHBondContact O-CB 3.37Å; A99-L103 PolarHBondContact O-N 3.32Å; T100-L103 PolarHBondContact O-N 2.77Å; L103-V105 PolarHBondContact O-N 3.45Å; L103-L106 PolarHBondContact O-N 3.08Å; L103-L107 HydrophobicContact CG-CD1 4.47Å; L103-L107 WeakPolarHBondContact O-CG 3.44Å; L103-L107 PolarHBondContact O-N 3.22Å; L103-C170 HydrophobicContact CB-CB 4.41Å; L103-C170 HydrophobicContact CD2-CB 4.01Å; L103-C170 HydrophobicContact CG-CB 4.22Å; L103-L173 HydrophobicContact CD2-CB 4.21Å
104A89.3Confident87.8Confident0 Ų047.1 Ų47.10%031%0.309CS..Hα-helixtrans-60.5-42.1175.500000112.6T100 G101 L102 A108 A115T100-A104 WeakPolarHBondContact O-CB 3.48Å; T100-A104 PolarHBondContact O-N 3Å; G101-A104 PolarHBondContact O-N 3.12Å; L102-A104 VanDerWaalsContact C-N 3.33Å; L102-A104 PolarHBondContact O-N 3.03Å; A104-A108 WeakPolarHBondContact O-CB 3.37Å; A104-A108 PolarHBondContact O-N 3.25Å; A104-A115 VanDerWaalsContact CB-O 3.31Å; A104-A115 WeakPolarHBondContact CB-O 3.42Å; A104-A115 WeakPolarHBondContact O-CB 3.44Å
105V88.9Confident87.1Confident28 Ų2844.4 Ų44.417%0.1729%0.292CS..Hα-helixtrans-69.2-41.8177.41730000111.5L39 L44 L53 G101 L102 L103 L107 A108 G109L39-V105 HydrophobicContact CD2-CG2 3.35Å; L44-V105 HydrophobicContact CD1-CB 4.3Å; L44-V105 HydrophobicContact CD1-CG1 4.02Å; L44-V105 HydrophobicContact CD1-CG2 3.32Å; L53-V105 HydrophobicContact CD2-CG2 4.02Å; G101-V105 WeakPolarHBondContact O-CG2 3.02Å; G101-V105 PolarHBondContact O-N 3.3Å; L102-V105 PolarHBondContact O-N 3.09Å; L103-V105 PolarHBondContact O-N 3.45Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-L107 PolarHBondContact O-N 3.48Å; V105-A108 PolarHBondContact O-N 2.97Å; V105-G109 PolarHBondContact O-N 2.98Å
106L88.9Confident86.2Confident102 Ų10244.4 Ų44.453%0.53429%0.294SS..Hα-helixtrans-59.8-46.4175.7-73.1171.2000110.8L102 L103 A108 G109 L110L102-L106 HydrophobicContact CG-CD1 4.17Å; L102-L106 HydrophobicContact CG-CG 4.49Å; L102-L106 WeakPolarHBondContact O-CB 3.34Å; L102-L106 VanDerWaalsContact O-CG 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.37Å; L102-L106 PolarHBondContact O-N 3.26Å; L103-L106 PolarHBondContact O-N 3.08Å; L106-A108 PolarHBondContact O-N 3.07Å; L106-G109 PolarHBondContact O-N 3.43Å; L106-L110 VanDerWaalsContact O-CG 3.31Å; L106-L110 WeakPolarHBondContact O-CG 3.23Å; L106-L110 PolarHBondContact O-N 3.42Å
107L88.2Confident85.4Confident48 Ų4845.8 Ų45.825%0.25131%0.309SS..Hα-helixtrans-62-42.4175.4-73.5174.3000112.1L103 V105 G109 L110 G111 V112 A115 C170L103-L107 HydrophobicContact CG-CD1 4.47Å; L103-L107 WeakPolarHBondContact O-CG 3.44Å; L103-L107 PolarHBondContact O-N 3.22Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-L107 PolarHBondContact O-N 3.48Å; L107-G109 VanDerWaalsContact C-N 3.34Å; L107-G109 PolarHBondContact O-N 2.89Å; L107-L110 PolarHBondContact O-N 2.95Å; L107-G111 PolarHBondContact O-N 2.83Å; L107-V112 HydrophobicContact CB-CB 4.26Å; L107-V112 HydrophobicContact CB-CG2 4.46Å; L107-V112 HydrophobicContact CD2-CG2 4.32Å; L107-V112 VanDerWaalsContact O-CB 3.26Å; L107-V112 WeakPolarHBondContact O-CB 3.46Å; L107-V112 WeakPolarHBondContact O-CG2 3.25Å; L107-V112 PolarHBondContact O-N 3.37Å; L107-A115 HydrophobicContact CB-CB 3.56Å; L107-A115 HydrophobicContact CD1-CB 4.42Å; L107-C170 VanDerWaalsContact CD1-SG 3.51Å
108A86.8Confident84.8Confident27 Ų2745.8 Ų45.822%0.22331%0.309CS..Hα-helixtrans-63.1-39.8175.500000112.1P41 A104 V105 L106 L110 G111 A115 A116P41-A108 HydrophobicContact CG-CB 3.8Å; A104-A108 WeakPolarHBondContact O-CB 3.37Å; A104-A108 PolarHBondContact O-N 3.25Å; V105-A108 PolarHBondContact O-N 2.97Å; L106-A108 PolarHBondContact O-N 3.07Å; A108-L110 VanDerWaalsContact C-N 3.28Å; A108-L110 PolarHBondContact O-N 3.09Å; A108-G111 PolarHBondContact O-N 3.37Å; A108-A115 HydrophobicContact CB-CB 4.42Å; A108-A116 HydrophobicContact CB-CB 3.52Å
109G83.5Confident84.4Confident68 Ų6842.5 Ų42.570%0.70129%0.292SS*.Hα-helixtrans-66.4-27174.900000113.7V105 L106 L107 G111V105-G109 PolarHBondContact O-N 2.98Å; L106-G109 PolarHBondContact O-N 3.43Å; L107-G109 VanDerWaalsContact C-N 3.34Å; L107-G109 PolarHBondContact O-N 2.89Å; G109-G111 PolarHBondContact O-N 3.45Å
110L86.3Confident84.2Confident142 Ų14241.8 Ų41.874%0.74329%0.286SS*.THydrogen-bonded Turntrans-78.84170.5-66.4172.1000113.3L106 L107 A108L106-L110 VanDerWaalsContact O-CG 3.31Å; L106-L110 WeakPolarHBondContact O-CG 3.23Å; L106-L110 PolarHBondContact O-N 3.42Å; L107-L110 PolarHBondContact O-N 2.95Å; A108-L110 VanDerWaalsContact C-N 3.28Å; A108-L110 PolarHBondContact O-N 3.09Å
111G82.6Confident84.2Confident59 Ų5941.9 Ų41.961%0.60829%0.286SS*.THydrogen-bonded Turntrans85.811.5178.900000114.5L107 A108 G109 S113L107-G111 PolarHBondContact O-N 2.83Å; A108-G111 PolarHBondContact O-N 3.37Å; G109-G111 PolarHBondContact O-N 3.45Å; G111-S113 PolarHBondContact O-N 3.25Å; G111-S113 VanDerWaalsContact O-N 3.09Å
112V84.3Confident84.2Confident56 Ų5642 Ų4234%0.33929%0.287SS..  trans-79.194.5175.4-171.50000109.5L107 G114 A115 L166L107-V112 HydrophobicContact CB-CB 4.26Å; L107-V112 HydrophobicContact CB-CG2 4.46Å; L107-V112 HydrophobicContact CD2-CG2 4.32Å; L107-V112 VanDerWaalsContact O-CB 3.26Å; L107-V112 WeakPolarHBondContact O-CB 3.46Å; L107-V112 WeakPolarHBondContact O-CG2 3.25Å; L107-V112 PolarHBondContact O-N 3.37Å; V112-G114 PolarHBondContact O-N 2.97Å; V112-A115 HydrophobicContact CB-CB 4.45Å; V112-A115 HydrophobicContact CG1-CB 4.45Å; V112-A115 WeakPolarHBondContact O-CB 3.13Å; V112-A115 PolarHBondContact O-N 2.87Å; V112-L166 HydrophobicContact CG1-CD1 3.64Å
113S77.1Confident84.1Confident111 Ų11137.6 Ų37.678%0.77626%0.264SS*.THydrogen-bonded Turntrans-56.9133.5177-62.50000112G111 L166G111-S113 PolarHBondContact O-N 3.25Å; G111-S113 VanDerWaalsContact O-N 3.09Å; S113-L166 VanDerWaalsContact O-CD1 3.28Å; S113-L166 WeakPolarHBondContact O-CD1 3.35Å
114G75.1Confident84.2Confident38 Ų3835.1 Ų35.139%0.39225%0.251SS..THydrogen-bonded Turntrans85.51.4178.300000115.2V112 P164V112-G114 PolarHBondContact O-N 2.97Å; G114-P164 VanDerWaalsContact O-CB 3.27Å; G114-P164 WeakPolarHBondContact O-CB 3.22Å; G114-P164 VanDerWaalsContact O-CG 3.23Å; G114-P164 WeakPolarHBondContact O-CG 3.22Å
115A75Confident84.3Confident0 Ų035.1 Ų35.10%025%0.251CS..SBendtrans-72.8-39.3171.700000112.3A104 L107 A108 V112 L166A104-A115 VanDerWaalsContact CB-O 3.31Å; A104-A115 WeakPolarHBondContact CB-O 3.42Å; A104-A115 WeakPolarHBondContact O-CB 3.44Å; L107-A115 HydrophobicContact CB-CB 3.56Å; L107-A115 HydrophobicContact CD1-CB 4.42Å; A108-A115 HydrophobicContact CB-CB 4.42Å; V112-A115 HydrophobicContact CB-CB 4.45Å; V112-A115 HydrophobicContact CG1-CB 4.45Å; V112-A115 WeakPolarHBondContact O-CB 3.13Å; V112-A115 PolarHBondContact O-N 2.87Å; A115-L166 HydrophobicContact CB-CB 4.24Å; A115-L166 HydrophobicContact CB-CD1 4.23Å
116A73.9Confident84.4Confident19 Ų1933.8 Ų33.816%0.15724%0.243CC..SBendtrans-111.9148.8173.600000110.4P41 A108P41-A116 HydrophobicContact CG-CB 3.29Å; A108-A116 HydrophobicContact CB-CB 3.52Å
117G74.3Confident84.5Confident31 Ų3129 Ų2932%0.3222%0.218SC..SBendtrans126.8-11.5-177.800000114.4L39L39-G117 WeakPolarHBondContact O-CA 3.39Å; L39-G117 PolarHBondContact O-N 3.15Å
118G79.7Confident84.6Confident1 Ų126.7 Ų26.71%0.0121%0.206CC..  trans-91.2162.9176.200000113.8L39 P164 Q167L39-G118 PolarHBondContact N-O 2.65Å; G118-P164 VanDerWaalsContact CA-CD 3.45Å; G118-Q167 VanDerWaalsContact C-OE1 3.23Å; G118-Q167 PolarHBondContact O-NE2 3.29Å; G118-Q167 PolarHBondContact O-OE1 3.43Å
119C83.8Confident84.7Confident2 Ų225.6 Ų25.61%0.01420%0.196CC..  trans-136.7154.7169.562.10000109.2R38 H56 G59 T61R38-C119 HydrophobicContact CB-CB 4.47Å; R38-C119 HydrophobicContact CG-CB 3.82Å; H56-C119 CarbonylContact O-C 3.34Å; H56-C119 VanDerWaalsContact O-CA 3.24Å; H56-C119 WeakPolarHBondContact O-CA 3.25Å; H56-C119 WeakPolarHBondContact O-CB 3.15Å; G59-C119 CarbonylContact O-C 3.51Å; G59-C119 VanDerWaalsContact O-C 3.22Å; G59-C119 WeakPolarHBondContact O-CB 3.48Å; G59-C119 PolarHBondContact O-SG 2.92Å; T61-C119 WeakPolarHBondContact CG2-SG 3.15Å
120G88.5Confident84.9Confident1 Ų122.3 Ų22.31%0.0116%0.163CC..  trans139.2154.6172.700000111.2H56 A57 G59 M122 P123H56-G120 PolarHBondContact O-N 2.89Å; A57-G120 CarbonylContact O-C 3.32Å; A57-G120 VanDerWaalsContact O-C 3.29Å; G59-G120 WeakPolarHBondContact O-CA 3.19Å; G59-G120 PolarHBondContact O-N 2.82Å; G120-M122 PolarHBondContact O-N 3.02Å; G120-P123 WeakPolarHBondContact O-CD 3.35Å
121Y90.1Very high84.8Confident2 Ų215.8 Ų15.81%0.00813%0.129CC..SBendtrans-79.4-6.5-178.8-162.8-108.4000112.9L21 A57 H60 L73 S93 V124 H125L21-Y121 HydrophobicContact CD1-CE2 4.47Å; A57-Y121 HydrophobicContact CB-CD2 4.13Å; A57-Y121 VanDerWaalsContact O-CA 3.23Å; A57-Y121 WeakPolarHBondContact O-CA 3.28Å; A57-Y121 VanDerWaalsContact O-CB 3.27Å; A57-Y121 WeakPolarHBondContact O-CB 3.47Å; A57-Y121 PolarHBondContact O-N 3.34Å; H60-Y121 PolarHBondContact CE1-N 3.15Å; H60-Y121 PolarHBondContact NE2-N 2.94Å; L73-Y121 HydrophobicContact CD2-CD1 4.2Å; L73-Y121 HydrophobicContact CD2-CE1 3.69Å; L73-Y121 HydrophobicContact CG-CE1 4.44Å; S93-Y121 WeakPolarHBondContact OG-CE2 3.18Å; S93-Y121 PolarHBondContact OG-OH 3.49Å; Y121-V124 HydrophobicContact CD2-CB 4.13Å; Y121-V124 HydrophobicContact CD2-CG1 4.49Å; Y121-V124 HydrophobicContact CD2-CG2 4.22Å; Y121-V124 HydrophobicContact CE2-CB 3.99Å; Y121-V124 HydrophobicContact CE2-CG1 3.85Å; Y121-V124 HydrophobicContact CE2-CG2 4.29Å; Y121-V124 HydrophobicContact CG-CB 4.47Å; Y121-V124 WeakPolarHBondContact O-CB 3.24Å; Y121-V124 PolarHBondContact O-N 2.89Å; Y121-V124 VanDerWaalsContact O-N 3.12Å; Y121-H125 AromaticContact CD1-CD2 3.46Å; Y121-H125 VanDerWaalsContact CD1-CD2 3.46Å; Y121-H125 WeakPolarHBondContact CD1-CD2 3.24Å; Y121-H125 AromaticContact CD1-CE1 3.78Å; Y121-H125 AromaticContact CD1-NE2 3.3Å; Y121-H125 VanDerWaalsContact CD1-NE2 3.3Å; Y121-H125 WeakPolarHBondContact CD1-NE2 3.27Å; Y121-H125 AromaticContact CE1-CD2 3.96Å; Y121-H125 AromaticContact CE1-CE1 3.56Å; Y121-H125 AromaticContact CE1-ND1 3.89Å; Y121-H125 AromaticContact CE1-NE2 3.6Å; Y121-H125 PolarHBondContact O-N 2.72Å
122M91.4Very high84.7Confident2 Ų213.4 Ų13.41%0.0110%0.102CC..Hα-helixtrans-60.7-43.2-176-159.457.154.200115.2L68 L72 G120 V124 H125 L126 L152 T156 P163 L168L68-M122 HydrophobicContact CB-CE 3.68Å; L68-M122 HydrophobicContact CD2-CE 3.58Å; L68-M122 HydrophobicContact CD2-SD 4.07Å; L68-M122 HydrophobicContact CG-CE 3.47Å; L68-M122 VanDerWaalsContact CG-CE 3.47Å; L68-M122 HydrophobicContact CG-SD 4.31Å; L72-M122 HydrophobicContact CD1-CE 3.82Å; L72-M122 HydrophobicContact CD1-SD 3.62Å; G120-M122 PolarHBondContact O-N 3.02Å; M122-V124 PolarHBondContact O-N 2.92Å; M122-H125 WeakPolarHBondContact O-CB 3.16Å; M122-H125 PolarHBondContact O-N 3.25Å; M122-H125 HydrophobicContact SD-CB 4.39Å; M122-L126 PolarHBondContact O-N 3.08Å; M122-L152 HydrophobicContact SD-CD1 3.76Å; M122-L152 HydrophobicContact SD-CD2 3.92Å; M122-L152 HydrophobicContact SD-CG 3.97Å; M122-T156 HydrophobicContact CB-CG2 4.44Å; M122-T156 HydrophobicContact CG-CG2 3.71Å; M122-T156 VanDerWaalsContact CG-OG1 3.28Å; M122-T156 WeakPolarHBondContact CG-OG1 3.23Å; M122-P163 HydrophobicContact CB-CG 4.43Å; M122-L168 HydrophobicContact CB-CD2 3.89Å; M122-L168 HydrophobicContact CG-CD2 3.75Å
123P89Confident84.3Confident0 Ų011 Ų110%09%0.088CC..Hα-helixtrans-60-33.7174.5-21.334.4000112.2T100 G120 L126 A127 P163 Q167 L168 G171T100-P123 HydrophobicContact CG2-CB 3.73Å; G120-P123 WeakPolarHBondContact O-CD 3.35Å; P123-L126 PolarHBondContact O-N 3.31Å; P123-A127 WeakPolarHBondContact O-CB 3.46Å; P123-A127 PolarHBondContact O-N 2.85Å; P123-P163 HydrophobicContact CG-CG 4.15Å; P123-Q167 HydrophobicContact CG-CG 3.95Å; P123-L168 HydrophobicContact CG-CD2 4.12Å; P123-G171 WeakPolarHBondContact O-CA 3.49Å
124V91.7Very high83.8Confident0 Ų012.3 Ų12.30%08%0.081CC..Hα-helixtrans-69.6-42.5176-174.10000110.8A57 A97 Y121 M122 L126 A127 M128A57-V124 HydrophobicContact CB-CG2 3.79Å; A97-V124 HydrophobicContact CB-CG2 3.75Å; Y121-V124 HydrophobicContact CD2-CB 4.13Å; Y121-V124 HydrophobicContact CD2-CG1 4.49Å; Y121-V124 HydrophobicContact CD2-CG2 4.22Å; Y121-V124 HydrophobicContact CE2-CB 3.99Å; Y121-V124 HydrophobicContact CE2-CG1 3.85Å; Y121-V124 HydrophobicContact CE2-CG2 4.29Å; Y121-V124 HydrophobicContact CG-CB 4.47Å; Y121-V124 WeakPolarHBondContact O-CB 3.24Å; Y121-V124 PolarHBondContact O-N 2.89Å; Y121-V124 VanDerWaalsContact O-N 3.12Å; M122-V124 PolarHBondContact O-N 2.92Å; V124-L126 VanDerWaalsContact C-N 3.33Å; V124-L126 PolarHBondContact O-N 3.44Å; V124-A127 PolarHBondContact O-N 2.89Å; V124-M128 HydrophobicContact CG1-CE 4.35Å; V124-M128 WeakPolarHBondContact O-CB 3.46Å; V124-M128 WeakPolarHBondContact O-CG 3.44Å; V124-M128 PolarHBondContact O-N 2.84Å
125H91.3Very high83.4Confident1 Ų114.6 Ų14.61%0.0058%0.082CC..Hα-helixtrans-58.3-45172.2-81.7-53.9000112.1Y121 M122 M128 L129 L152Y121-H125 AromaticContact CD1-CD2 3.46Å; Y121-H125 VanDerWaalsContact CD1-CD2 3.46Å; Y121-H125 WeakPolarHBondContact CD1-CD2 3.24Å; Y121-H125 AromaticContact CD1-CE1 3.78Å; Y121-H125 AromaticContact CD1-NE2 3.3Å; Y121-H125 VanDerWaalsContact CD1-NE2 3.3Å; Y121-H125 WeakPolarHBondContact CD1-NE2 3.27Å; Y121-H125 AromaticContact CE1-CD2 3.96Å; Y121-H125 AromaticContact CE1-CE1 3.56Å; Y121-H125 AromaticContact CE1-ND1 3.89Å; Y121-H125 AromaticContact CE1-NE2 3.6Å; Y121-H125 PolarHBondContact O-N 2.72Å; M122-H125 WeakPolarHBondContact O-CB 3.16Å; M122-H125 PolarHBondContact O-N 3.25Å; M122-H125 HydrophobicContact SD-CB 4.39Å; H125-M128 PolarHBondContact O-N 3.46Å; H125-L129 WeakPolarHBondContact O-CB 3.17Å; H125-L129 VanDerWaalsContact O-CG 3.29Å; H125-L129 WeakPolarHBondContact O-CG 3.41Å; H125-L129 PolarHBondContact O-N 2.92Å; H125-L152 HydrophobicContact CB-CD2 4.08Å
126L90.3Very high82.6Confident0 Ų021.1 Ų21.10%012%0.124CC..Hα-helixtrans-60.7-45.5175.4-76.3172.8000111.8M122 P123 V124 M128 L129 A130 P149 L152 L153 L168M122-L126 PolarHBondContact O-N 3.08Å; P123-L126 PolarHBondContact O-N 3.31Å; V124-L126 VanDerWaalsContact C-N 3.33Å; V124-L126 PolarHBondContact O-N 3.44Å; L126-M128 PolarHBondContact O-N 3.42Å; L126-L129 PolarHBondContact O-N 3.36Å; L126-A130 VanDerWaalsContact O-CB 3.32Å; L126-A130 WeakPolarHBondContact O-CB 2.88Å; L126-A130 PolarHBondContact O-N 3.25Å; L126-P149 HydrophobicContact CD2-CB 4.26Å; L126-P149 WeakPolarHBondContact CD2-O 3.3Å; L126-L152 HydrophobicContact CD2-CB 3.76Å; L126-L152 HydrophobicContact CD2-CD2 3.83Å; L126-L152 HydrophobicContact CD2-CG 3.84Å; L126-L152 HydrophobicContact CG-CD2 4.1Å; L126-L152 HydrophobicContact CG-CG 4.34Å; L126-L153 HydrophobicContact CD1-CB 4.4Å; L126-L153 HydrophobicContact CD1-CD1 4.08Å; L126-L153 HydrophobicContact CD2-CB 4.26Å; L126-L168 HydrophobicContact CD1-CB 3.89Å; L126-L168 HydrophobicContact CD1-CD2 3.68Å; L126-L168 HydrophobicContact CD1-CG 4.38Å
127A91.4Very high82.1Confident0 Ų022.3 Ų22.30%014%0.139CC..Hα-helixtrans-60.8-46.4178.800000111.4L96 P123 V124 L129 A130 G131 G171 G175L96-A127 HydrophobicContact CB-CB 3.97Å; L96-A127 HydrophobicContact CD1-CB 4.05Å; L96-A127 HydrophobicContact CD2-CB 4.13Å; L96-A127 HydrophobicContact CG-CB 4.27Å; P123-A127 WeakPolarHBondContact O-CB 3.46Å; P123-A127 PolarHBondContact O-N 2.85Å; V124-A127 PolarHBondContact O-N 2.89Å; A127-L129 PolarHBondContact O-N 3.38Å; A127-A130 PolarHBondContact O-N 3.49Å; A127-G131 PolarHBondContact O-N 3.22Å; A127-G171 VanDerWaalsContact CA-O 3.22Å; A127-G171 WeakPolarHBondContact CA-O 3.49Å; A127-G171 WeakPolarHBondContact CB-O 3.45Å; A127-G175 WeakPolarHBondContact O-CA 3.43Å
128M90.5Very high81.7Confident1 Ų122 Ų221%0.00513%0.128CC..Hα-helixtrans-64-41.2177.2-76.4-16917200112.6Q80 F89 S93 L96 V124 H125 L126 Q132Q80-M128 PolarHBondContact OE1-SD 2.99Å; F89-M128 HydrophobicContact CD2-CE 3.97Å; F89-M128 HydrophobicContact CD2-SD 4.26Å; F89-M128 HydrophobicContact CE2-CE 3.74Å; F89-M128 HydrophobicContact CE2-SD 3.78Å; F89-M128 HydrophobicContact CZ-CE 4.36Å; S93-M128 VanDerWaalsContact N-CE 3.34Å; L96-M128 HydrophobicContact CD1-CB 4.32Å; L96-M128 HydrophobicContact CD1-CG 3.6Å; V124-M128 HydrophobicContact CG1-CE 4.35Å; V124-M128 WeakPolarHBondContact O-CB 3.46Å; V124-M128 WeakPolarHBondContact O-CG 3.44Å; V124-M128 PolarHBondContact O-N 2.84Å; H125-M128 PolarHBondContact O-N 3.46Å; L126-M128 PolarHBondContact O-N 3.42Å; M128-Q132 VanDerWaalsContact O-CB 3.29Å; M128-Q132 WeakPolarHBondContact O-CB 3.48Å; M128-Q132 VanDerWaalsContact O-CG 3.27Å; M128-Q132 WeakPolarHBondContact O-CG 3.24Å; M128-Q132 PolarHBondContact O-N 3.37Å; M128-Q132 VanDerWaalsContact O-N 3.08Å; M128-Q132 PolarHBondContact O-NE2 3.43Å; M128-Q132 VanDerWaalsContact O-NE2 3.15Å
129L89.1Confident81.1Confident3 Ų324 Ų242%0.01614%0.14CC..Hα-helixtrans-64.9-48.3177.4-79.2-176.2000111.5L76 H125 L126 A127 G131 Q132 S133 W138 L148 P149 L152L76-L129 HydrophobicContact CD1-CD1 3.91Å; L76-L129 HydrophobicContact CD1-CD2 3.84Å; L76-L129 HydrophobicContact CD1-CG 4.15Å; L76-L129 HydrophobicContact CD2-CD2 4.13Å; H125-L129 WeakPolarHBondContact O-CB 3.17Å; H125-L129 VanDerWaalsContact O-CG 3.29Å; H125-L129 WeakPolarHBondContact O-CG 3.41Å; H125-L129 PolarHBondContact O-N 2.92Å; L126-L129 PolarHBondContact O-N 3.36Å; A127-L129 PolarHBondContact O-N 3.38Å; L129-G131 VanDerWaalsContact C-N 3.34Å; L129-G131 PolarHBondContact O-N 3.41Å; L129-Q132 PolarHBondContact O-N 3.3Å; L129-S133 VanDerWaalsContact O-CB 3.3Å; L129-S133 WeakPolarHBondContact O-CB 3.41Å; L129-S133 PolarHBondContact O-N 2.92Å; L129-W138 HydrophobicContact CD2-CH2 3.26Å; L129-W138 HydrophobicContact CD2-CZ2 3.55Å; L129-W138 HydrophobicContact CD2-CZ3 4.34Å; L129-L148 HydrophobicContact CD1-CD2 4.07Å; L129-L148 HydrophobicContact CD1-CG 4.21Å; L129-L148 HydrophobicContact CD2-CD2 3.7Å; L129-L148 HydrophobicContact CG-CD2 4.49Å; L129-P149 HydrophobicContact CB-CB 4.22Å; L129-L152 HydrophobicContact CD1-CB 4.42Å; L129-L152 HydrophobicContact CD1-CD2 3.64Å
130A88.5Confident79.9Confident0 Ų033.6 Ų33.60%019%0.185CC..Hα-helixtrans-64.5-41.7-179.900000111.3L126 A127 Q132 S133 P149 L172 L176L126-A130 VanDerWaalsContact O-CB 3.32Å; L126-A130 WeakPolarHBondContact O-CB 2.88Å; L126-A130 PolarHBondContact O-N 3.25Å; A127-A130 PolarHBondContact O-N 3.49Å; A130-Q132 VanDerWaalsContact C-N 3.34Å; A130-Q132 PolarHBondContact O-N 3.12Å; A130-S133 PolarHBondContact O-OG 2.82Å; A130-P149 HydrophobicContact CB-CB 4.27Å; A130-P149 HydrophobicContact CB-CG 4.42Å; A130-L172 HydrophobicContact CB-CD1 3.86Å; A130-L176 HydrophobicContact CB-CD2 4.3Å; A130-L176 HydrophobicContact CB-CG 4.3Å
131G84.4Confident78.7Confident4 Ų439.9 Ų39.94%0.04121%0.208CC..Hα-helixtrans-63-35.7177.100000114.2A127 L129 G175A127-G131 PolarHBondContact O-N 3.22Å; L129-G131 VanDerWaalsContact C-N 3.34Å; L129-G131 PolarHBondContact O-N 3.41Å; G131-G175 WeakPolarHBondContact CA-O 3.4Å; G131-G175 PolarHBondContact N-O 3.31Å
132Q80.5Confident77.6Confident9 Ų947 Ų474%0.04225%0.252CS..Hα-helixtrans-104.6-4-172.3-62.217776.500114.5Q80 M128 L129 A130 H134 H135 W138Q80-Q132 VanDerWaalsContact NE2-NE2 3.18Å; M128-Q132 VanDerWaalsContact O-CB 3.29Å; M128-Q132 WeakPolarHBondContact O-CB 3.48Å; M128-Q132 VanDerWaalsContact O-CG 3.27Å; M128-Q132 WeakPolarHBondContact O-CG 3.24Å; M128-Q132 PolarHBondContact O-N 3.37Å; M128-Q132 VanDerWaalsContact O-N 3.08Å; M128-Q132 PolarHBondContact O-NE2 3.43Å; M128-Q132 VanDerWaalsContact O-NE2 3.15Å; L129-Q132 PolarHBondContact O-N 3.3Å; A130-Q132 VanDerWaalsContact C-N 3.34Å; A130-Q132 PolarHBondContact O-N 3.12Å; Q132-H134 PolarHBondContact O-N 3.02Å; Q132-H135 PolarHBondContact O-N 3.07Å; Q132-W138 HydrophobicContact CB-CE3 3.95Å; Q132-W138 HydrophobicContact CB-CZ3 3.8Å
133S73.9Confident76.4Confident6 Ų650.5 Ų50.54%0.04227%0.271CS..THydrogen-bonded Turntrans-58.5-22-179.561.20000113.7L129 A130 P145L129-S133 VanDerWaalsContact O-CB 3.3Å; L129-S133 WeakPolarHBondContact O-CB 3.41Å; L129-S133 PolarHBondContact O-N 2.92Å; A130-S133 PolarHBondContact O-OG 2.82Å; S133-P145 WeakPolarHBondContact CB-O 3.43Å; S133-P145 WeakPolarHBondContact O-CB 3.27Å; S133-P145 VanDerWaalsContact O-CG 3.29Å; S133-P145 WeakPolarHBondContact O-CG 3.23Å
134H66.9Low75.9Confident138 Ų13853 Ų5364%0.63929%0.286SS*.THydrogen-bonded Turntrans-1000.3179.4-66-74.4000114.3Q132Q132-H134 PolarHBondContact O-N 3.02Å
135H67.9Low75.1Confident86 Ų8655.2 Ų55.240%0.39830%0.301SS..  trans-75.4137.3-179.8-80.2-55000112.5Q132 G137 W138Q132-H135 PolarHBondContact O-N 3.07Å; H135-G137 PolarHBondContact O-N 3.22Å; H135-W138 WeakPolarHBondContact O-CB 3.42Å; H135-W138 PolarHBondContact O-N 3.27Å
136P57.9Low74.4Confident138 Ų13862 Ų6290%0.89633%0.327SS*.THydrogen-bonded Turntrans-64.2-9.7-175.37.3-9.9000115.2
137G63.1Low74.2Confident44 Ų4464.7 Ų64.745%0.45434%0.341SS..THydrogen-bonded Turntrans-97.2-4.1176.700000115W79 H135W79-G137 WeakPolarHBondContact CZ2-O 3.42Å; H135-G137 PolarHBondContact O-N 3.22Å
138W67Low73.9Confident25 Ų2566 Ų6610%0.09535%0.348CS..SBendtrans-55.3135.6-176.8-168.3-97.5000110.7L76 W79 L129 Q132 H135 Q140 P145 L148L76-W138 HydrophobicContact CD2-CH2 4.45Å; L76-W138 HydrophobicContact CD2-CZ2 4.42Å; W79-W138 HydrophobicContact CE3-CE3 4.28Å; W79-W138 HydrophobicContact CE3-CH2 4.21Å; W79-W138 AromaticContact CE3-CZ3 3.89Å; W79-W138 HydrophobicContact CE3-CZ3 3.89Å; W79-W138 HydrophobicContact CH2-CD2 4.3Å; W79-W138 AromaticContact CH2-CE3 3.64Å; W79-W138 HydrophobicContact CH2-CE3 3.64Å; W79-W138 HydrophobicContact CH2-CZ3 4.04Å; W79-W138 HydrophobicContact CZ3-CD2 4.23Å; W79-W138 AromaticContact CZ3-CE3 3.36Å; W79-W138 HydrophobicContact CZ3-CE3 3.36Å; W79-W138 HydrophobicContact CZ3-CH2 4.01Å; W79-W138 AromaticContact CZ3-CZ3 3.25Å; W79-W138 HydrophobicContact CZ3-CZ3 3.25Å; L129-W138 HydrophobicContact CD2-CH2 3.26Å; L129-W138 HydrophobicContact CD2-CZ2 3.55Å; L129-W138 HydrophobicContact CD2-CZ3 4.34Å; Q132-W138 HydrophobicContact CB-CE3 3.95Å; Q132-W138 HydrophobicContact CB-CZ3 3.8Å; H135-W138 WeakPolarHBondContact O-CB 3.42Å; H135-W138 PolarHBondContact O-N 3.27Å; W138-Q140 PolarHBondContact O-N 3.44Å; W138-P145 HydrophobicContact CG-CB 4.41Å; W138-L148 HydrophobicContact CZ2-CD2 3.82Å
139P65.1Low73.6Confident42 Ų4266.1 Ų66.127%0.27335%0.349SS..  trans-65.1119.6-178.126.2-20000106.1W79 R141W79-P139 HydrophobicContact CD2-CG 3.86Å; W79-P139 HydrophobicContact CE3-CG 4.46Å; W79-P139 HydrophobicContact CG-CG 4.25Å; W79-P139 HydrophobicContact CZ2-CG 4.12Å; P139-R141 PolarHBondContact O-N 3.37Å
140Q60.3Low73.6Confident203 Ų20371.9 Ų71.995%0.94937%0.37SS*.  trans-62.982.1173.7-79-179-17.200108.2W138W138-Q140 PolarHBondContact O-N 3.44Å
141R62.6Low73.5Confident133 Ų13376 Ų7650%0.50239%0.392SS..  trans-71.4157.5166.1-102.4178.9171.8154.5-1.6107.7P139 L143P139-R141 PolarHBondContact O-N 3.37Å; R141-L143 PolarHBondContact O-N 3.37Å
142T66.4Low73.6Confident151 Ų15176.3 Ų76.393%0.92639%0.393SS*.SBendtrans-55.9-13.717445.80000113.9
143L67.1Low73.9Confident77 Ų7776.4 Ų76.440%0.40339%0.393SS..SBendtrans-103.6136.8177.2-68.6165000110.1R141 L151R141-L143 PolarHBondContact O-N 3.37Å; L143-L151 HydrophobicContact CD1-CD1 4Å; L143-L151 HydrophobicContact CD2-CD1 4.41Å
144P77.9Confident74.5Confident51 Ų5178.9 Ų78.933%0.33141%0.414SS..  trans-63.7140.517829.6-36000109.9W146 L147P144-W146 PolarHBondContact O-N 2.97Å; P144-W146 VanDerWaalsContact O-N 3.17Å; P144-L147 HydrophobicContact CG-CB 4.03Å; P144-L147 HydrophobicContact CG-CD1 3.32Å; P144-L147 HydrophobicContact CG-CG 3.65Å; P144-L147 PolarHBondContact O-N 3.28Å
145P74.4Confident75.4Confident48 Ų4875.7 Ų75.731%0.31240%0.401SS..THydrogen-bonded Turntrans-66.7-26.5-164.426.8-36.4000113.2S133 W138 P149S133-P145 WeakPolarHBondContact CB-O 3.43Å; S133-P145 WeakPolarHBondContact O-CB 3.27Å; S133-P145 VanDerWaalsContact O-CG 3.29Å; S133-P145 WeakPolarHBondContact O-CG 3.23Å; W138-P145 HydrophobicContact CG-CB 4.41Å; P145-P149 WeakPolarHBondContact O-CD 3.28Å
146W78.1Confident76.2Confident143 Ų14371.7 Ų71.754%0.54238%0.383SS..THydrogen-bonded Turntrans-72.4-25.4176.169.7-85.4000113.4P144 P149P144-W146 PolarHBondContact O-N 2.97Å; P144-W146 VanDerWaalsContact O-N 3.17Å; W146-P149 WeakPolarHBondContact O-CD 3.49Å; W146-P149 WeakPolarHBondContact O-CG 3.28Å
147L84.3Confident77.5Confident57 Ų5768.5 Ų68.530%0.29836%0.358SS..Hα-helixtrans-78.4-27.6178.4-75.3-178.2000112.7P144 W150 L151P144-L147 HydrophobicContact CG-CB 4.03Å; P144-L147 HydrophobicContact CG-CD1 3.32Å; P144-L147 HydrophobicContact CG-CG 3.65Å; P144-L147 PolarHBondContact O-N 3.28Å; L147-W150 PolarHBondContact O-N 2.83Å; L147-W150 VanDerWaalsContact O-N 3.15Å; L147-L151 WeakPolarHBondContact O-CG 3.47Å; L147-L151 PolarHBondContact O-N 3.44Å
148L85.2Confident78.5Confident26 Ų2673.5 Ų73.514%0.13637%0.373CS..Hα-helixtrans-56.2-46.9-176.5-162.575.2000114.1L76 L129 W138 W150 L151 L152L76-L148 HydrophobicContact CD2-CD2 4.48Å; L129-L148 HydrophobicContact CD1-CD2 4.07Å; L129-L148 HydrophobicContact CD1-CG 4.21Å; L129-L148 HydrophobicContact CD2-CD2 3.7Å; L129-L148 HydrophobicContact CG-CD2 4.49Å; W138-L148 HydrophobicContact CZ2-CD2 3.82Å; L148-W150 VanDerWaalsContact C-N 3.32Å; L148-W150 PolarHBondContact O-N 3.32Å; L148-L151 PolarHBondContact O-N 3.3Å; L148-L152 PolarHBondContact O-N 2.92Å
149P85.8Confident79.1Confident4 Ų476.1 Ų76.13%0.02639%0.389CS..Hα-helixtrans-63.8-35.6176.224.4-34.8000112.7L126 L129 A130 P145 W146 L152 L153 L172L126-P149 HydrophobicContact CD2-CB 4.26Å; L126-P149 WeakPolarHBondContact CD2-O 3.3Å; L129-P149 HydrophobicContact CB-CB 4.22Å; A130-P149 HydrophobicContact CB-CB 4.27Å; A130-P149 HydrophobicContact CB-CG 4.42Å; P145-P149 WeakPolarHBondContact O-CD 3.28Å; W146-P149 WeakPolarHBondContact O-CD 3.49Å; W146-P149 WeakPolarHBondContact O-CG 3.28Å; P149-L152 PolarHBondContact O-N 3.01Å; P149-L153 WeakPolarHBondContact O-CB 3.4Å; P149-L153 PolarHBondContact O-N 3.21Å; P149-L172 HydrophobicContact CB-CD1 3.73Å; P149-L172 HydrophobicContact CG-CD1 4.37Å
150W87.6Confident79.4Confident125 Ų12574.6 Ų74.647%0.47338%0.379SS..Hα-helixtrans-67.8-40.1175.7-63.8107000112.5L147 L148 L152 L153 A154 L172L147-W150 PolarHBondContact O-N 2.83Å; L147-W150 VanDerWaalsContact O-N 3.15Å; L148-W150 VanDerWaalsContact C-N 3.32Å; L148-W150 PolarHBondContact O-N 3.32Å; W150-L152 VanDerWaalsContact C-N 3.35Å; W150-L153 HydrophobicContact CE3-CD2 4.07Å; W150-L153 HydrophobicContact CZ3-CD2 4.26Å; W150-L153 WeakPolarHBondContact O-CB 3.26Å; W150-L153 PolarHBondContact O-N 3.19Å; W150-A154 PolarHBondContact O-N 3.35Å; W150-L172 HydrophobicContact CD2-CD2 4.25Å; W150-L172 HydrophobicContact CE3-CD2 3.9Å; W150-L172 HydrophobicContact CH2-CD2 3.6Å; W150-L172 HydrophobicContact CZ2-CD2 3.96Å; W150-L172 HydrophobicContact CZ3-CD2 3.57Å
151L87.6Confident79.8Confident87 Ų8770.5 Ų70.546%0.45537%0.373SS..Hα-helixtrans-63-42.7174.1-73.3169.4000111.2L143 L147 L148 L153 A154 L155L143-L151 HydrophobicContact CD1-CD1 4Å; L143-L151 HydrophobicContact CD2-CD1 4.41Å; L147-L151 WeakPolarHBondContact O-CG 3.47Å; L147-L151 PolarHBondContact O-N 3.44Å; L148-L151 PolarHBondContact O-N 3.3Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 2.94Å; L151-A154 PolarHBondContact O-N 3.32Å; L151-L155 VanDerWaalsContact O-CB 3.26Å; L151-L155 WeakPolarHBondContact O-CB 3.43Å; L151-L155 PolarHBondContact O-N 3.46Å
152L85.1Confident80Confident10 Ų1066.9 Ų66.95%0.05236%0.362CS..Hα-helixtrans-65.4-38.3177.5-179.161.6000111.8L68 L72 M122 H125 L126 L129 L148 P149 W150 L155 T156L68-L152 HydrophobicContact CD2-CD1 4.21Å; L72-L152 HydrophobicContact CD1-CD1 3.55Å; L72-L152 HydrophobicContact CD1-CD2 3.99Å; L72-L152 HydrophobicContact CD1-CG 4.43Å; L72-L152 HydrophobicContact CD2-CD1 4.41Å; M122-L152 HydrophobicContact SD-CD1 3.76Å; M122-L152 HydrophobicContact SD-CD2 3.92Å; M122-L152 HydrophobicContact SD-CG 3.97Å; H125-L152 HydrophobicContact CB-CD2 4.08Å; L126-L152 HydrophobicContact CD2-CB 3.76Å; L126-L152 HydrophobicContact CD2-CD2 3.83Å; L126-L152 HydrophobicContact CD2-CG 3.84Å; L126-L152 HydrophobicContact CG-CD2 4.1Å; L126-L152 HydrophobicContact CG-CG 4.34Å; L129-L152 HydrophobicContact CD1-CB 4.42Å; L129-L152 HydrophobicContact CD1-CD2 3.64Å; L148-L152 PolarHBondContact O-N 2.92Å; P149-L152 PolarHBondContact O-N 3.01Å; W150-L152 VanDerWaalsContact C-N 3.35Å; L152-L155 PolarHBondContact O-N 3.37Å; L152-T156 WeakPolarHBondContact O-CB 3.45Å; L152-T156 PolarHBondContact O-N 3.11Å; L152-T156 PolarHBondContact O-OG1 3.44Å
153L87Confident80.1Confident11 Ų1159.9 Ų59.96%0.05832%0.319CS..Hα-helixtrans-59-53.4173.217869.3000110.4L126 P149 W150 L151 L155 T156 L157 F165 L168 L172L126-L153 HydrophobicContact CD1-CB 4.4Å; L126-L153 HydrophobicContact CD1-CD1 4.08Å; L126-L153 HydrophobicContact CD2-CB 4.26Å; P149-L153 WeakPolarHBondContact O-CB 3.4Å; P149-L153 PolarHBondContact O-N 3.21Å; W150-L153 HydrophobicContact CE3-CD2 4.07Å; W150-L153 HydrophobicContact CZ3-CD2 4.26Å; W150-L153 WeakPolarHBondContact O-CB 3.26Å; W150-L153 PolarHBondContact O-N 3.19Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 2.94Å; L153-L155 PolarHBondContact O-N 2.9Å; L153-T156 PolarHBondContact O-N 2.95Å; L153-L157 HydrophobicContact CD1-CD1 4.31Å; L153-L157 HydrophobicContact CG-CD1 4.12Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 2.97Å; L153-F165 HydrophobicContact CD2-CE2 4.36Å; L153-L168 HydrophobicContact CD1-CB 3.41Å; L153-L168 VanDerWaalsContact CD1-CB 3.41Å; L153-L168 HydrophobicContact CD1-CD1 4.09Å; L153-L168 HydrophobicContact CD1-CG 4.33Å; L153-L172 HydrophobicContact CD2-CD2 4.36Å
154A87.8Confident80.7Confident57 Ų5757.8 Ų57.847%0.47131%0.31SS..Hα-helixtrans-60.2-43.8179.200000112.2W150 L151 T156 L157 L158W150-A154 PolarHBondContact O-N 3.35Å; L151-A154 PolarHBondContact O-N 3.32Å; A154-T156 PolarHBondContact O-N 2.84Å; A154-L157 PolarHBondContact O-N 2.9Å; A154-L158 WeakPolarHBondContact O-CB 3Å; A154-L158 PolarHBondContact O-N 3.5Å
155L85.7Confident80.9Confident72 Ų7260.3 Ų60.338%0.37732%0.316SS..Hα-helixtrans-61.6-44.3177.7-176.770.1000111.4L68 L151 L152 L153 L157 L158 L159L68-L155 HydrophobicContact CD1-CD2 3.81Å; L68-L155 HydrophobicContact CD2-CD2 4.34Å; L68-L155 HydrophobicContact CD2-CG 4.47Å; L151-L155 VanDerWaalsContact O-CB 3.26Å; L151-L155 WeakPolarHBondContact O-CB 3.43Å; L151-L155 PolarHBondContact O-N 3.46Å; L152-L155 PolarHBondContact O-N 3.37Å; L153-L155 PolarHBondContact O-N 2.9Å; L155-L157 VanDerWaalsContact C-N 3.35Å; L155-L157 PolarHBondContact O-N 3.08Å; L155-L158 PolarHBondContact O-N 3.48Å; L155-L159 HydrophobicContact CD1-CD1 3.62Å; L155-L159 HydrophobicContact CD1-CD2 4.3Å; L155-L159 HydrophobicContact CG-CD1 4.25Å; L155-L159 HydrophobicContact CG-CD2 4.46Å; L155-L159 WeakPolarHBondContact O-CB 3.43Å; L155-L159 WeakPolarHBondContact O-CD1 3.38Å; L155-L159 PolarHBondContact O-N 3.39Å
156T83.8Confident81.4Confident1 Ų160.2 Ų60.21%0.00631%0.312CS..Hα-helixtrans-62.6-45179.1-54.20000110.7M122 L152 L153 A154 L158 L159 S160 L168M122-T156 HydrophobicContact CB-CG2 4.44Å; M122-T156 HydrophobicContact CG-CG2 3.71Å; M122-T156 VanDerWaalsContact CG-OG1 3.28Å; M122-T156 WeakPolarHBondContact CG-OG1 3.23Å; L152-T156 WeakPolarHBondContact O-CB 3.45Å; L152-T156 PolarHBondContact O-N 3.11Å; L152-T156 PolarHBondContact O-OG1 3.44Å; L153-T156 PolarHBondContact O-N 2.95Å; A154-T156 PolarHBondContact O-N 2.84Å; T156-L158 VanDerWaalsContact C-N 3.27Å; T156-L158 PolarHBondContact O-N 3.36Å; T156-L159 PolarHBondContact O-N 3.34Å; T156-S160 WeakPolarHBondContact O-CA 3.28Å; T156-S160 PolarHBondContact O-N 3.26Å; T156-L168 HydrophobicContact CG2-CD1 3.7Å; T156-L168 HydrophobicContact CG2-CD2 4.02Å
157L86Confident81.9Confident72 Ų7253.4 Ų53.438%0.37729%0.286SS..Hα-helixtrans-64.1-32177.9-65.9167.2000112.9L153 A154 L155 F165 L168L153-L157 HydrophobicContact CD1-CD1 4.31Å; L153-L157 HydrophobicContact CG-CD1 4.12Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 2.97Å; A154-L157 PolarHBondContact O-N 2.9Å; L155-L157 VanDerWaalsContact C-N 3.35Å; L155-L157 PolarHBondContact O-N 3.08Å; L157-F165 HydrophobicContact CD1-CD2 3.61Å; L157-F165 HydrophobicContact CD1-CE2 3.99Å; L157-F165 HydrophobicContact CD2-CB 3.89Å; L157-F165 HydrophobicContact CD2-CD2 3.81Å; L157-F165 HydrophobicContact CD2-CG 4.35Å; L157-F165 HydrophobicContact CG-CD2 4.3Å; L157-L168 HydrophobicContact CD2-CD1 3.96Å; L157-L168 HydrophobicContact CG-CD1 4.28Å
158L84.7Confident82.1Confident148 Ų14850.7 Ų50.778%0.77527%0.272SS*.Hα-helixtrans-76.1-37.9178.4-166.571.5000112.2A154 L155 T156A154-L158 WeakPolarHBondContact O-CB 3Å; A154-L158 PolarHBondContact O-N 3.5Å; L155-L158 PolarHBondContact O-N 3.48Å; T156-L158 VanDerWaalsContact C-N 3.27Å; T156-L158 PolarHBondContact O-N 3.36Å
159L78.2Confident82.3Confident81 Ų8151.8 Ų51.842%0.42428%0.278SS..Hα-helixtrans-90.9-24.8-175.6-89.464.2000113.5P64 L155 T156P64-L159 VanDerWaalsContact CB-O 3.23Å; P64-L159 WeakPolarHBondContact CB-O 3.47Å; L155-L159 HydrophobicContact CD1-CD1 3.62Å; L155-L159 HydrophobicContact CD1-CD2 4.3Å; L155-L159 HydrophobicContact CG-CD1 4.25Å; L155-L159 HydrophobicContact CG-CD2 4.46Å; L155-L159 WeakPolarHBondContact O-CB 3.43Å; L155-L159 WeakPolarHBondContact O-CD1 3.38Å; L155-L159 PolarHBondContact O-N 3.39Å; T156-L159 PolarHBondContact O-N 3.34Å
160S71.9Confident82.5Confident9 Ų951.6 Ų51.66%0.06328%0.277CS..  trans-146.9135.3-174.3-144.70000112.6T156 E162T156-S160 WeakPolarHBondContact O-CA 3.28Å; T156-S160 PolarHBondContact O-N 3.26Å; S160-E162 VanDerWaalsContact C-N 3.29Å; S160-E162 WeakPolarHBondContact CB-O 3.31Å; S160-E162 PolarHBondContact OG-O 3.29Å; S160-E162 VanDerWaalsContact OG-O 3.05Å
161S69.1Low82.7Confident117 Ų11745.7 Ų45.782%0.81825%0.254SS*.SBendtrans-83-7.9172.1-49.90000112.9
162E66.3Low82.9Confident58 Ų5841.6 Ų41.627%0.27123%0.233SC..  trans-126.7134.5174.7-68.3-171.4114.400109.3R38 T61 A62 S160R38-E162 IonicContact CZ-OE1 3.32Å; R38-E162 VanDerWaalsContact CZ-OE1 3.32Å; R38-E162 IonicContact NH1-OE1 2.75Å; R38-E162 PolarHBondContact NH1-OE1 2.94Å; R38-E162 IonicContact NH2-OE1 3.31Å; R38-E162 PolarHBondContact NH2-OE1 2.93Å; R38-E162 IonicContact NH2-OE2 3.93Å; T61-E162 WeakPolarHBondContact CB-OE2 3.49Å; T61-E162 PolarHBondContact OG1-OE1 3.47Å; T61-E162 PolarHBondContact OG1-OE2 3.34Å; A62-E162 HydrophobicContact CB-CB 4.48Å; S160-E162 VanDerWaalsContact C-N 3.29Å; S160-E162 WeakPolarHBondContact CB-O 3.31Å; S160-E162 PolarHBondContact OG-O 3.29Å; S160-E162 VanDerWaalsContact OG-O 3.05Å
163P68.8Low83.2Confident4 Ų445.1 Ų45.13%0.02625%0.252CS..SBendcis-70.5160.51.130-36.5000113.3M122 P123 Q167 L168M122-P163 HydrophobicContact CB-CG 4.43Å; P123-P163 HydrophobicContact CG-CG 4.15Å; P163-Q167 HydrophobicContact CB-CB 4.46Å; P163-L168 HydrophobicContact CG-CD1 4.42Å; P163-L168 HydrophobicContact CG-CD2 3.67Å; P163-L168 HydrophobicContact CG-CG 3.9Å
164P78.5Confident83.4Confident33 Ų3344.9 Ų44.921%0.21425%0.251CS..  trans-63.6149.4-179.127.6-32.6000110.9G114 G118 L166 Q167 L168G114-P164 VanDerWaalsContact O-CB 3.27Å; G114-P164 WeakPolarHBondContact O-CB 3.22Å; G114-P164 VanDerWaalsContact O-CG 3.23Å; G114-P164 WeakPolarHBondContact O-CG 3.22Å; G118-P164 VanDerWaalsContact CA-CD 3.45Å; P164-L166 PolarHBondContact O-N 3.49Å; P164-L166 VanDerWaalsContact O-N 3.11Å; P164-Q167 HydrophobicContact CG-CB 3.85Å; P164-Q167 WeakPolarHBondContact O-CB 3.16Å; P164-Q167 PolarHBondContact O-N 3.29Å; P164-L168 PolarHBondContact O-N 2.64Å
165F83.6Confident83.5Confident104 Ų10442.2 Ų42.246%0.45623%0.228SC..Hα-helixtrans-47.7-44.2-179.1170.3-104.3000112.9L153 L157 Q167 L168 L169L153-F165 HydrophobicContact CD2-CE2 4.36Å; L157-F165 HydrophobicContact CD1-CD2 3.61Å; L157-F165 HydrophobicContact CD1-CE2 3.99Å; L157-F165 HydrophobicContact CD2-CB 3.89Å; L157-F165 HydrophobicContact CD2-CD2 3.81Å; L157-F165 HydrophobicContact CD2-CG 4.35Å; L157-F165 HydrophobicContact CG-CD2 4.3Å; F165-Q167 VanDerWaalsContact C-N 3.3Å; F165-Q167 PolarHBondContact O-N 3.25Å; F165-L168 WeakPolarHBondContact O-CB 3.44Å; F165-L168 PolarHBondContact O-N 3.01Å; F165-L169 HydrophobicContact CE1-CD2 4.13Å; F165-L169 HydrophobicContact CZ-CD2 4.4Å; F165-L169 WeakPolarHBondContact O-CB 3.47Å; F165-L169 PolarHBondContact O-N 2.83Å
166L85.2Confident83.6Confident45 Ų4542.3 Ų42.324%0.23623%0.229CC..Hα-helixtrans-63.8-34.6-178.9-69.6172.3000112.6V112 S113 A115 P164 L169 C170V112-L166 HydrophobicContact CG1-CD1 3.64Å; S113-L166 VanDerWaalsContact O-CD1 3.28Å; S113-L166 WeakPolarHBondContact O-CD1 3.35Å; A115-L166 HydrophobicContact CB-CB 4.24Å; A115-L166 HydrophobicContact CB-CD1 4.23Å; P164-L166 PolarHBondContact O-N 3.49Å; P164-L166 VanDerWaalsContact O-N 3.11Å; L166-L169 PolarHBondContact O-N 2.99Å; L166-C170 PolarHBondContact O-N 2.96Å; L166-C170 PolarHBondContact O-SG 2.99Å
167Q86.8Confident83.9Confident0 Ų044 Ų440%024%0.242CC..Hα-helixtrans-72-35.9176.2-173.2172-30.200111.8H56 G118 P123 P163 P164 F165 L169 C170 G171H56-Q167 PolarHBondContact CD2-NE2 2.92Å; G118-Q167 VanDerWaalsContact C-OE1 3.23Å; G118-Q167 PolarHBondContact O-NE2 3.29Å; G118-Q167 PolarHBondContact O-OE1 3.43Å; P123-Q167 HydrophobicContact CG-CG 3.95Å; P163-Q167 HydrophobicContact CB-CB 4.46Å; P164-Q167 HydrophobicContact CG-CB 3.85Å; P164-Q167 WeakPolarHBondContact O-CB 3.16Å; P164-Q167 PolarHBondContact O-N 3.29Å; F165-Q167 VanDerWaalsContact C-N 3.3Å; F165-Q167 PolarHBondContact O-N 3.25Å; Q167-L169 VanDerWaalsContact C-N 3.35Å; Q167-C170 WeakPolarHBondContact O-CB 3.38Å; Q167-C170 PolarHBondContact O-N 2.96Å; Q167-G171 PolarHBondContact O-N 3.32Å
168L89.5Confident83.9Confident0 Ų041.5 Ų41.50%023%0.228CC..Hα-helixtrans-65.3-40.4171.1-65.9167.5000111.4M122 P123 L126 L153 T156 L157 P163 P164 F165 C170 G171 L172M122-L168 HydrophobicContact CB-CD2 3.89Å; M122-L168 HydrophobicContact CG-CD2 3.75Å; P123-L168 HydrophobicContact CG-CD2 4.12Å; L126-L168 HydrophobicContact CD1-CB 3.89Å; L126-L168 HydrophobicContact CD1-CD2 3.68Å; L126-L168 HydrophobicContact CD1-CG 4.38Å; L153-L168 HydrophobicContact CD1-CB 3.41Å; L153-L168 VanDerWaalsContact CD1-CB 3.41Å; L153-L168 HydrophobicContact CD1-CD1 4.09Å; L153-L168 HydrophobicContact CD1-CG 4.33Å; T156-L168 HydrophobicContact CG2-CD1 3.7Å; T156-L168 HydrophobicContact CG2-CD2 4.02Å; L157-L168 HydrophobicContact CD2-CD1 3.96Å; L157-L168 HydrophobicContact CG-CD1 4.28Å; P163-L168 HydrophobicContact CG-CD1 4.42Å; P163-L168 HydrophobicContact CG-CD2 3.67Å; P163-L168 HydrophobicContact CG-CG 3.9Å; P164-L168 PolarHBondContact O-N 2.64Å; F165-L168 WeakPolarHBondContact O-CB 3.44Å; F165-L168 PolarHBondContact O-N 3.01Å; L168-C170 VanDerWaalsContact C-N 3.35Å; L168-G171 PolarHBondContact O-N 2.86Å; L168-L172 PolarHBondContact O-N 2.76Å
169L89.3Confident84Confident49 Ų4936.5 Ų36.526%0.25721%0.209SC..Hα-helixtrans-63.9-39.9174.5-173.763.5000111.4F165 L166 Q167 G171 L172 L173F165-L169 HydrophobicContact CE1-CD2 4.13Å; F165-L169 HydrophobicContact CZ-CD2 4.4Å; F165-L169 WeakPolarHBondContact O-CB 3.47Å; F165-L169 PolarHBondContact O-N 2.83Å; L166-L169 PolarHBondContact O-N 2.99Å; Q167-L169 VanDerWaalsContact C-N 3.35Å; L169-G171 VanDerWaalsContact C-N 3.3Å; L169-G171 PolarHBondContact O-N 3.47Å; L169-L172 HydrophobicContact CD1-CD2 4.42Å; L169-L172 PolarHBondContact O-N 2.92Å; L169-L173 HydrophobicContact CD1-CG 4.43Å; L169-L173 HydrophobicContact CG-CD1 4.14Å; L169-L173 HydrophobicContact CG-CG 4.39Å; L169-L173 WeakPolarHBondContact O-CB 3.38Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.36Å; L169-L173 PolarHBondContact O-N 3.47Å
170C90.4Very high84.3Confident1 Ų136.8 Ų36.81%0.00722%0.223CC..Hα-helixtrans-58-44.2172.4-69.30000111.3T100 L103 L107 L166 Q167 L168 L173 T174T100-C170 HydrophobicContact CG2-CB 3.98Å; L103-C170 HydrophobicContact CB-CB 4.41Å; L103-C170 HydrophobicContact CD2-CB 4.01Å; L103-C170 HydrophobicContact CG-CB 4.22Å; L107-C170 VanDerWaalsContact CD1-SG 3.51Å; L166-C170 PolarHBondContact O-N 2.96Å; L166-C170 PolarHBondContact O-SG 2.99Å; Q167-C170 WeakPolarHBondContact O-CB 3.38Å; Q167-C170 PolarHBondContact O-N 2.96Å; L168-C170 VanDerWaalsContact C-N 3.35Å; C170-L173 PolarHBondContact O-N 3.1Å; C170-T174 VanDerWaalsContact O-CB 3.25Å; C170-T174 WeakPolarHBondContact O-CB 3.28Å; C170-T174 PolarHBondContact O-N 3.33Å; C170-T174 PolarHBondContact O-OG1 2.83Å
171G91.1Very high84.7Confident0 Ų037.1 Ų37.10%023%0.228CC..Hα-helixtrans-60.5-47.5175.800000112.1P123 A127 Q167 L168 L169 L173 T174 G175P123-G171 WeakPolarHBondContact O-CA 3.49Å; A127-G171 VanDerWaalsContact CA-O 3.22Å; A127-G171 WeakPolarHBondContact CA-O 3.49Å; A127-G171 WeakPolarHBondContact CB-O 3.45Å; Q167-G171 PolarHBondContact O-N 3.32Å; L168-G171 PolarHBondContact O-N 2.86Å; L169-G171 VanDerWaalsContact C-N 3.3Å; L169-G171 PolarHBondContact O-N 3.47Å; G171-L173 PolarHBondContact O-N 2.75Å; G171-T174 PolarHBondContact O-N 2.63Å; G171-G175 PolarHBondContact O-N 3.45Å
172L91.8Very high85.2Confident2 Ų234.7 Ų34.71%0.0122%0.215CC..Hα-helixtrans-59.2-49.7177.6-177.265.2000112.2A130 P149 W150 L153 L168 L169 T174 G175 L176A130-L172 HydrophobicContact CB-CD1 3.86Å; P149-L172 HydrophobicContact CB-CD1 3.73Å; P149-L172 HydrophobicContact CG-CD1 4.37Å; W150-L172 HydrophobicContact CD2-CD2 4.25Å; W150-L172 HydrophobicContact CE3-CD2 3.9Å; W150-L172 HydrophobicContact CH2-CD2 3.6Å; W150-L172 HydrophobicContact CZ2-CD2 3.96Å; W150-L172 HydrophobicContact CZ3-CD2 3.57Å; L153-L172 HydrophobicContact CD2-CD2 4.36Å; L168-L172 PolarHBondContact O-N 2.76Å; L169-L172 HydrophobicContact CD1-CD2 4.42Å; L169-L172 PolarHBondContact O-N 2.92Å; L172-T174 VanDerWaalsContact C-N 3.32Å; L172-T174 PolarHBondContact O-N 3.25Å; L172-G175 PolarHBondContact O-N 3.5Å; L172-L176 HydrophobicContact CG-CD1 4.43Å; L172-L176 WeakPolarHBondContact O-CG 3.19Å; L172-L176 PolarHBondContact O-N 3.41Å
173L91.6Very high85.7Confident84 Ų8433.8 Ų33.844%0.4421%0.21SC..Hα-helixtrans-62.8-39.9178.9-69.5174.8000111.7L103 L169 C170 G171 G175 L176 A177L103-L173 HydrophobicContact CD2-CB 4.21Å; L169-L173 HydrophobicContact CD1-CG 4.43Å; L169-L173 HydrophobicContact CG-CD1 4.14Å; L169-L173 HydrophobicContact CG-CG 4.39Å; L169-L173 WeakPolarHBondContact O-CB 3.38Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.36Å; L169-L173 PolarHBondContact O-N 3.47Å; C170-L173 PolarHBondContact O-N 3.1Å; G171-L173 PolarHBondContact O-N 2.75Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.04Å; L173-L176 PolarHBondContact O-N 3.19Å; L173-A177 WeakPolarHBondContact O-CB 3.42Å; L173-A177 PolarHBondContact O-N 3.32Å
174T91.6Very high86Confident6 Ų639.8 Ų39.84%0.03724%0.237CC..Hα-helixtrans-62.2-42.5175.6-590000111.1L96 A99 C170 G171 L172 A177 Y178 F183L96-T174 HydrophobicContact CD2-CG2 3.92Å; A99-T174 HydrophobicContact CB-CG2 3.44Å; A99-T174 VanDerWaalsContact CB-CG2 3.44Å; C170-T174 VanDerWaalsContact O-CB 3.25Å; C170-T174 WeakPolarHBondContact O-CB 3.28Å; C170-T174 PolarHBondContact O-N 3.33Å; C170-T174 PolarHBondContact O-OG1 2.83Å; G171-T174 PolarHBondContact O-N 2.63Å; L172-T174 VanDerWaalsContact C-N 3.32Å; L172-T174 PolarHBondContact O-N 3.25Å; T174-A177 PolarHBondContact O-N 3.1Å; T174-Y178 PolarHBondContact O-N 3.34Å; T174-F183 HydrophobicContact CG2-CE2 4.13Å; T174-F183 HydrophobicContact CG2-CZ 4.17Å
175G89.4Confident85.7Confident0 Ų050 Ų500%027%0.272CS..Hα-helixtrans-64.6-41174.900000113.5A127 G131 G171 L172 L173 Y178 A179A127-G175 WeakPolarHBondContact O-CA 3.43Å; G131-G175 WeakPolarHBondContact CA-O 3.4Å; G131-G175 PolarHBondContact N-O 3.31Å; G171-G175 PolarHBondContact O-N 3.45Å; L172-G175 PolarHBondContact O-N 3.5Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.04Å; G175-Y178 WeakPolarHBondContact O-CB 3.41Å; G175-Y178 PolarHBondContact O-N 2.96Å; G175-A179 PolarHBondContact O-N 3.05Å
176L89Confident85.2Confident75 Ų7549.7 Ų49.739%0.39328%0.275SS..Hα-helixtrans-65.6-40174.6-69.5173.5000111.9A130 L172 L173 Y178 A179 A180A130-L176 HydrophobicContact CB-CD2 4.3Å; A130-L176 HydrophobicContact CB-CG 4.3Å; L172-L176 HydrophobicContact CG-CD1 4.43Å; L172-L176 WeakPolarHBondContact O-CG 3.19Å; L172-L176 PolarHBondContact O-N 3.41Å; L173-L176 PolarHBondContact O-N 3.19Å; L176-Y178 VanDerWaalsContact C-N 3.28Å; L176-Y178 PolarHBondContact O-N 2.92Å; L176-A179 PolarHBondContact O-N 2.73Å; L176-A180 WeakPolarHBondContact O-CB 3.4Å; L176-A180 PolarHBondContact O-N 3.49Å
177A89.3Confident84.6Confident35 Ų3551.8 Ų51.829%0.28928%0.283SS..Hα-helixtrans-62.2-37.6173.200000111.5L173 T174 A180 G181 A182 F183L173-A177 WeakPolarHBondContact O-CB 3.42Å; L173-A177 PolarHBondContact O-N 3.32Å; T174-A177 PolarHBondContact O-N 3.1Å; A177-A180 PolarHBondContact O-N 3.35Å; A177-G181 PolarHBondContact O-N 3.34Å; A177-A182 HydrophobicContact CB-CB 4.11Å; A177-A182 WeakPolarHBondContact O-CB 3.49Å; A177-A182 PolarHBondContact O-N 3.27Å; A177-F183 HydrophobicContact CB-CE2 4.36Å
178Y86.8Confident83.6Confident20 Ų2056.2 Ų56.28%0.07831%0.306CS..Hα-helixtrans-61.9-47.9171.5-177.3-91.6000112.3N92 L96 T174 G175 L176 A180 G181 F183 E187N92-Y178 PolarHBondContact ND2-OH 3.27Å; L96-Y178 HydrophobicContact CD2-CD2 4.23Å; L96-Y178 HydrophobicContact CD2-CG 4.12Å; T174-Y178 PolarHBondContact O-N 3.34Å; G175-Y178 WeakPolarHBondContact O-CB 3.41Å; G175-Y178 PolarHBondContact O-N 2.96Å; L176-Y178 VanDerWaalsContact C-N 3.28Å; L176-Y178 PolarHBondContact O-N 2.92Å; Y178-A180 PolarHBondContact O-N 3.04Å; Y178-G181 PolarHBondContact O-N 3.37Å; Y178-F183 HydrophobicContact CD2-CB 3.79Å; Y178-F183 AromaticContact CD2-CD2 3.72Å; Y178-F183 HydrophobicContact CD2-CD2 3.72Å; Y178-F183 HydrophobicContact CD2-CG 4.14Å; Y178-F183 HydrophobicContact CE2-CB 4.22Å; Y178-F183 HydrophobicContact CG-CD2 4.21Å; Y178-E187 PolarHBondContact OH-OE1 3.4Å
179A85.3Confident82Confident44 Ų4460.9 Ų60.936%0.36434%0.339SS..Hα-helixtrans-60.4-34174.900000112.9G175 L176 G181G175-A179 PolarHBondContact O-N 3.05Å; L176-A179 PolarHBondContact O-N 2.73Å; A179-G181 PolarHBondContact O-N 3.49Å
180A84.6Confident80.2Confident87 Ų8765.9 Ų65.972%0.71936%0.361SS*.THydrogen-bonded Turntrans-74.8-3.6175.500000113.7L176 A177 Y178L176-A180 WeakPolarHBondContact O-CB 3.4Å; L176-A180 PolarHBondContact O-N 3.49Å; A177-A180 PolarHBondContact O-N 3.35Å; Y178-A180 PolarHBondContact O-N 3.04Å
181G81.9Confident77.9Confident16 Ų1674.6 Ų74.617%0.16540%0.401CS..THydrogen-bonded Turntrans87.712.5177.100000115.3A177 Y178 A179 F183 Q184A177-G181 PolarHBondContact O-N 3.34Å; Y178-G181 PolarHBondContact O-N 3.37Å; A179-G181 PolarHBondContact O-N 3.49Å; G181-F183 PolarHBondContact O-N 2.96Å; G181-F183 VanDerWaalsContact O-N 3.08Å; G181-Q184 WeakPolarHBondContact O-CB 3.23Å; G181-Q184 VanDerWaalsContact O-CG 3.22Å; G181-Q184 WeakPolarHBondContact O-CG 3.45Å; G181-Q184 PolarHBondContact O-N 3.25Å; G181-Q184 VanDerWaalsContact O-N 3.12Å
182A79.2Confident75.5Confident66 Ų6688.6 Ų88.655%0.54545%0.454SS..THydrogen-bonded Turntrans-59.9-23.8-179.800000113.4A177A177-A182 HydrophobicContact CB-CB 4.11Å; A177-A182 WeakPolarHBondContact O-CB 3.49Å; A177-A182 PolarHBondContact O-N 3.27Å
183F76.5Confident74.7Confident39 Ų3992.9 Ų92.917%0.17148%0.476CS..THydrogen-bonded Turntrans-106.915.2-179.5-58.5-73.8000113.9V95 A99 T174 A177 Y178 G181 W185 L186 E187V95-F183 HydrophobicContact CG1-CD1 4.15Å; V95-F183 HydrophobicContact CG1-CG 4.43Å; A99-F183 HydrophobicContact CB-CE1 3.89Å; A99-F183 HydrophobicContact CB-CZ 3.56Å; T174-F183 HydrophobicContact CG2-CE2 4.13Å; T174-F183 HydrophobicContact CG2-CZ 4.17Å; A177-F183 HydrophobicContact CB-CE2 4.36Å; Y178-F183 HydrophobicContact CD2-CB 3.79Å; Y178-F183 AromaticContact CD2-CD2 3.72Å; Y178-F183 HydrophobicContact CD2-CD2 3.72Å; Y178-F183 HydrophobicContact CD2-CG 4.14Å; Y178-F183 HydrophobicContact CE2-CB 4.22Å; Y178-F183 HydrophobicContact CG-CD2 4.21Å; G181-F183 PolarHBondContact O-N 2.96Å; G181-F183 VanDerWaalsContact O-N 3.08Å; F183-W185 PolarHBondContact O-N 2.98Å; F183-W185 VanDerWaalsContact O-N 3.11Å; F183-L186 HydrophobicContact CD1-CD1 4Å; F183-L186 PolarHBondContact O-N 3.34Å; F183-E187 PolarHBondContact O-N 3.31Å
184Q74.7Confident73.8Confident129 Ų12993.4 Ų93.460%0.60348%0.478SS*.G310 helixtrans-53.1-34.2179.4-79.5171.43.700113.2G181 L186 E187G181-Q184 WeakPolarHBondContact O-CB 3.23Å; G181-Q184 VanDerWaalsContact O-CG 3.22Å; G181-Q184 WeakPolarHBondContact O-CG 3.45Å; G181-Q184 PolarHBondContact O-N 3.25Å; G181-Q184 VanDerWaalsContact O-N 3.12Å; Q184-L186 VanDerWaalsContact C-N 3.26Å; Q184-L186 PolarHBondContact O-N 3.37Å; Q184-E187 PolarHBondContact O-N 3.43Å
185W71.9Confident72.8Confident248 Ų24898.2 Ų98.294%0.93950%0.503SS*.G310 helixtrans-69.2-21.3177.4-63.691.1000114.5F183F183-W185 PolarHBondContact O-N 2.98Å; F183-W185 VanDerWaalsContact O-N 3.11Å
186L73.5Confident71.8Confident98 Ų98104 Ų10451%0.51353%0.533SS..G310 helixtrans-99.9-1.1179.7-73.7163.3000111.7H91 V95 F183 Q184 L188H91-L186 PolarHBondContact NE2-O 3.41Å; V95-L186 HydrophobicContact CG1-CD1 4.45Å; F183-L186 HydrophobicContact CD1-CD1 4Å; F183-L186 PolarHBondContact O-N 3.34Å; Q184-L186 VanDerWaalsContact C-N 3.26Å; Q184-L186 PolarHBondContact O-N 3.37Å; L186-L188 PolarHBondContact O-N 2.94Å
187E72.1Confident70.8Confident88 Ų88105.8 Ų105.841%0.41154%0.541SS..SBendtrans-68.2131.5171.8-67.9-169.2150.700109.3Y178 F183 Q184 S189Y178-E187 PolarHBondContact OH-OE1 3.4Å; F183-E187 PolarHBondContact O-N 3.31Å; Q184-E187 PolarHBondContact O-N 3.43Å; E187-S189 PolarHBondContact O-N 3.39Å
188L67.2Low69.5Low94 Ų94110.5 Ų110.549%0.49256%0.558SS.*  trans-56.5111.2174.2-87.1153.3000108.5V87 H91 L186 E190V87-L188 HydrophobicContact CG1-CD1 4.27Å; H91-L188 HydrophobicContact CB-CD1 3.77Å; L186-L188 PolarHBondContact O-N 2.94Å; L188-E190 PolarHBondContact O-N 3.38Å
189S55.3Low68.3Low98 Ų98117 Ų11769%0.68559%0.592SS**  trans-61.4130.217871.20000109.2E187 Q191E187-S189 PolarHBondContact O-N 3.39Å; S189-Q191 PolarHBondContact O-N 2.89Å
190E52Low67Low153 Ų153122.6 Ų122.672%0.71561%0.61SS**  trans-64.885.9167.9-70.2-159.2162.900109.6L188 R192L188-E190 PolarHBondContact O-N 3.38Å; E190-R192 VanDerWaalsContact C-N 3.28Å; E190-R192 PolarHBondContact O-N 2.82Å; E190-R192 VanDerWaalsContact O-N 3.1Å
191Q42.3Very low65.5Low184 Ų184125.6 Ų125.686%0.8660%0.601SS**  trans-73.597.4153.2-82.3-160.2-45.600106.9S189S189-Q191 PolarHBondContact O-N 2.89Å
192R39.7Very low64Low294 Ų294135.5 Ų135.5100%1.10964%0.64SS**  trans-53.70166.4-74.1-176.9-175.8-164.41.3112.1E190E190-R192 VanDerWaalsContact C-N 3.28Å; E190-R192 PolarHBondContact O-N 2.82Å; E190-R192 VanDerWaalsContact O-N 3.1Å

Retrieved 192 of 192 residues in 71.3 ms (Link to these results)