A0A2K5N176_CERAT Loading...

Sorting nexin-17

Critical regulator of endosomal recycling of numerous surface proteins, including integrins, signaling receptor and channels. Binds to NPxY sequences in the cytoplasmic tails of target cargos. Associates with retriever and CCC complexes to prevent lysosomal degradation and promote cell surface recycling of numerous cargos such as integrins ITGB1, ITGB5 and their associated alpha subunits. Also required for maintenance of normal cell surface levels of APP and LRP1. Interacts with membranes containing phosphatidylinositol 3-phosphate (PtdIns(3P)).

AlphaFold DB , UniProt , Accession A0A2K5N176, Species CERAT (Cercocebus atys, Sooty mangabey), Gene SNX17, Length 470 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M72.1Confident86.9Confident51 Ų5153.7 Ų53.725%0.25129%0.291SS..  0134.10-179.5-173.7-57.700108.2F3 V27 Q180 F182M1-F3 HydrophobicContact CG-CE2 4.25Å; M1-F3 HydrophobicContact SD-CE2 3.66Å; M1-F3 HydrophobicContact SD-CZ 4.24Å; M1-V27 HydrophobicContact CG-CG1 3.98Å; M1-V27 HydrophobicContact SD-CG1 3.77Å; M1-Q180 HydrophobicContact CE-CB 3.83Å; M1-Q180 HydrophobicContact CE-CG 3.32Å; M1-Q180 HydrophobicContact SD-CG 4.38Å; M1-F182 HydrophobicContact CE-CE1 3.62Å; M1-F182 HydrophobicContact CE-CZ 4.05Å; M1-F182 HydrophobicContact SD-CE1 3.37Å; M1-F182 WeakPolarHBondContact SD-CE1 3.26Å; M1-F182 HydrophobicContact SD-CZ 3.45Å; M1-F182 WeakPolarHBondContact SD-CZ 3.43Å
2H79.4Confident86.2Confident54 Ų5457.3 Ų57.325%0.2532%0.322CS..  trans-107.9122.4-172.3-173.471.5000111.1N28H2-N28 PolarHBondContact N-OD1 3.01Å; H2-N28 PolarHBondContact O-N 2.67Å
3F89.4Confident84.7Confident3 Ų353.9 Ų53.91%0.01331%0.309CS..EExtended strand (participates in β ladder)trans-98.1135.4170.4-80.9-101.6000108.9M1 I25 H26 V27 M83 Q84 R87 F98 L102 F182M1-F3 HydrophobicContact CG-CE2 4.25Å; M1-F3 HydrophobicContact SD-CE2 3.66Å; M1-F3 HydrophobicContact SD-CZ 4.24Å; F3-I25 HydrophobicContact CD1-CG2 3.8Å; F3-I25 HydrophobicContact CE1-CG2 4.22Å; F3-H26 WeakPolarHBondContact CA-O 3.38Å; F3-V27 HydrophobicContact CD1-CG2 3.92Å; F3-V27 HydrophobicContact CE1-CG2 3.5Å; F3-V27 HydrophobicContact CE2-CG2 4.43Å; F3-V27 HydrophobicContact CZ-CG2 3.79Å; F3-M83 HydrophobicContact CB-CB 4.33Å; F3-M83 HydrophobicContact CD1-CE 3.95Å; F3-M83 HydrophobicContact CE1-CE 3.98Å; F3-Q84 HydrophobicContact CB-CG 4.26Å; F3-Q84 VanDerWaalsContact O-CG 3.27Å; F3-Q84 WeakPolarHBondContact O-CG 3.47Å; F3-Q84 PolarHBondContact O-NE2 3.35Å; F3-R87 HydrophobicContact CD2-CB 3.91Å; F3-R87 HydrophobicContact CD2-CG 3.86Å; F3-R87 HydrophobicContact CE2-CB 3.93Å; F3-R87 HydrophobicContact CE2-CG 3.59Å; F3-F98 HydrophobicContact CE1-CZ 4.44Å; F3-F98 HydrophobicContact CZ-CE1 4.31Å; F3-F98 HydrophobicContact CZ-CZ 4.25Å; F3-L102 HydrophobicContact CE1-CD1 3.98Å; F3-L102 HydrophobicContact CE1-CD2 3.92Å; F3-L102 HydrophobicContact CZ-CD1 3.67Å; F3-L102 HydrophobicContact CZ-CD2 4.46Å; F3-F182 HydrophobicContact CZ-CE1 4.33Å; F3-F182 HydrophobicContact CZ-CZ 4.03Å
4S89.9Confident82.9Confident20 Ų2059.9 Ų59.914%0.1434%0.339CS..EExtended strand (participates in β ladder)trans-138.5159.2171.759.90000111H26 E80S4-H26 PolarHBondContact N-O 2.94Å; S4-H26 PolarHBondContact O-N 2.95Å; S4-E80 WeakPolarHBondContact CA-OE2 3.32Å
5I93.8Very high81.1Confident1 Ų165 Ų651%0.00538%0.38CS..  trans-127.872.9174.3-50.9-176.2000106.9E7 Y23 N24 I25 R76 L79 E80I5-E7 PolarHBondContact O-N 3.31Å; I5-Y23 HydrophobicContact CG2-CD1 4.25Å; I5-N24 WeakPolarHBondContact CA-O 3.34Å; I5-I25 HydrophobicContact CD1-CG1 4.32Å; I5-I25 HydrophobicContact CG1-CG1 4.25Å; I5-R76 HydrophobicContact CB-CG 4.09Å; I5-R76 HydrophobicContact CG2-CG 3.63Å; I5-R76 WeakPolarHBondContact O-CD 3.03Å; I5-R76 WeakPolarHBondContact O-CG 3.47Å; I5-R76 PolarHBondContact O-NH1 3.04Å; I5-L79 HydrophobicContact CD1-CB 3.82Å; I5-E80 HydrophobicContact CB-CB 4.22Å; I5-E80 HydrophobicContact CD1-CB 4.15Å; I5-E80 HydrophobicContact CG1-CB 3.98Å; I5-E80 HydrophobicContact CG1-CG 4.39Å; I5-E80 PolarHBondContact N-OE2 3.04Å
6P87.4Confident79.6Confident72 Ų7266.1 Ų66.147%0.46841%0.409SS..  trans-65.5-24.1-169.725.7-35000113.6N24 H26P6-N24 WeakPolarHBondContact CD-O 3.37Å; P6-H26 HydrophobicContact CG-CB 4.46Å
7E89.2Confident78.7Confident101 Ų10164.5 Ų64.547%0.47241%0.409SS..  trans-149.1162.4-174.763.9-177.1-17300112.3I5 N24I5-E7 PolarHBondContact O-N 3.31Å; E7-N24 HydrophobicContact CG-CB 3.82Å; E7-N24 WeakPolarHBondContact CG-ND2 3.43Å; E7-N24 PolarHBondContact O-N 3.32Å; E7-N24 PolarHBondContact OE1-ND2 3.33Å
8T92.8Very high78.5Confident49 Ų4966.9 Ų66.930%0.30143%0.428SS..EExtended strand (participates in β ladder)trans-123.6145.5170.761.50000110V21 A22 Y23 V72 R76T8-V21 HydrophobicContact CG2-CG1 4.19Å; T8-A22 CarbonylContact C-O 3.59Å; T8-A22 VanDerWaalsContact CA-O 3.24Å; T8-A22 WeakPolarHBondContact CA-O 3.39Å; T8-A22 WeakPolarHBondContact CB-O 3.46Å; T8-Y23 HydrophobicContact CG2-CD1 3.61Å; T8-Y23 HydrophobicContact CG2-CE1 3.78Å; T8-Y23 HydrophobicContact CG2-CG 4.47Å; T8-V72 HydrophobicContact CG2-CG1 4.18Å; T8-R76 HydrophobicContact CG2-CB 4.05Å; T8-R76 HydrophobicContact CG2-CG 3.83Å
9E90.8Very high78.8Confident47 Ų4767.6 Ų67.622%0.2244%0.44CS..EExtended strand (participates in β ladder)trans-124.9138.5178.860-177.6-139.800111R11 A22 N24 R34E9-R11 HydrophobicContact CG-CG 4.05Å; E9-R11 WeakPolarHBondContact OE1-CD 3.38Å; E9-R11 IonicContact OE1-CZ 3.8Å; E9-R11 IonicContact OE1-NE 3.49Å; E9-R11 IonicContact OE1-NH1 3.98Å; E9-A22 HydrophobicContact CG-CB 3.78Å; E9-A22 PolarHBondContact N-O 3.08Å; E9-A22 PolarHBondContact O-N 3.13Å; E9-N24 PolarHBondContact OE2-ND2 2.72Å; E9-N24 PolarHBondContact OE2-OD1 2.79Å; E9-R34 WeakPolarHBondContact OE1-CD 3.44Å; E9-R34 IonicContact OE1-NE 3.02Å; E9-R34 PolarHBondContact OE1-NE 3.18Å; E9-R34 IonicContact OE2-CZ 2.68Å; E9-R34 IonicContact OE2-NE 2.74Å; E9-R34 PolarHBondContact OE2-NE 3.47Å; E9-R34 IonicContact OE2-NH2 3.99Å
10S88.6Confident79.2Confident109 Ų10967.7 Ų67.776%0.76243%0.432SS*.EExtended strand (participates in β ladder)trans-82.3121.7171.4-67.10000109.1
11R83Confident79.9Confident84 Ų8466.6 Ų66.632%0.31742%0.424SS..EExtended strand (participates in β ladder)trans-121.3144.4178.9-59.1-170.180.8169.5-6.2111.3E9 A19 Y20 A22E9-R11 HydrophobicContact CG-CG 4.05Å; E9-R11 WeakPolarHBondContact OE1-CD 3.38Å; E9-R11 IonicContact OE1-CZ 3.8Å; E9-R11 IonicContact OE1-NE 3.49Å; E9-R11 IonicContact OE1-NH1 3.98Å; R11-A19 CarbonylContact O-C 3.48Å; R11-A19 WeakPolarHBondContact O-CA 3.41Å; R11-Y20 HydrophobicContact CB-CD1 4.46Å; R11-Y20 HydrophobicContact CB-CE1 3.93Å; R11-Y20 HydrophobicContact CB-CE2 4.13Å; R11-Y20 PolarHBondContact N-O 3.45Å; R11-Y20 PolarHBondContact O-N 3.1Å; R11-A22 HydrophobicContact CG-CB 4.22Å
12S77.8Confident81Confident96 Ų9664.2 Ų64.267%0.67141%0.413SS*.PPolyproline II helixtrans-65.5141.7167.8-33.20000109.7Y20S12-Y20 WeakPolarHBondContact O-CE1 3.3Å
13G66.9Low81.8Confident14 Ų1461.8 Ų61.814%0.14440%0.401CS..PPolyproline II helixtrans-65139.7165.300000109.9G17G13-G17 PolarHBondContact N-O 3.34Å
14D60Low82Confident137 Ų13761.6 Ų61.673%0.73340%0.401SS*.G310 helixtrans-56.8143.8170.4-71.8-25.3000109.5G16 G17D14-G16 PolarHBondContact O-N 2.66Å; D14-G17 PolarHBondContact O-N 2.68Å
15S55.8Low82.3Confident137 Ų13760.7 Ų60.796%0.95839%0.394SS*.G310 helixtrans57.537.9176.3-55.60000116
16G56.7Low82.2Confident82 Ų8262 Ų6285%0.84540%0.4SS*.G310 helixtrans88.313173.100000114.8D14D14-G16 PolarHBondContact O-N 2.66Å
17G64.6Low82.2Confident39 Ų3959 Ų5940%0.40238%0.38SS..PPolyproline II helixtrans-67.8153.1172.800000113.2G13 D14G13-G17 PolarHBondContact N-O 3.34Å; D14-G17 PolarHBondContact O-N 2.68Å
18S75.5Confident81.6Confident108 Ų10855 Ų5576%0.75536%0.362SS*.PPolyproline II helixtrans-55.6143.7174.959.30000111.4Y20S18-Y20 PolarHBondContact O-N 2.9Å
19A83.5Confident80.9Confident80 Ų8054.4 Ų54.466%0.66137%0.366SS*.PPolyproline II helixtrans-55.7141174.500000111.2R11R11-A19 CarbonylContact O-C 3.48Å; R11-A19 WeakPolarHBondContact O-CA 3.41Å
20Y87.9Confident80.4Confident70 Ų7054.6 Ų54.628%0.27537%0.37SS..EExtended strand (participates in β ladder)trans-130.6157.4178.468.2-88.5000110.9R11 S12 S18 A22 R36R11-Y20 HydrophobicContact CB-CD1 4.46Å; R11-Y20 HydrophobicContact CB-CE1 3.93Å; R11-Y20 HydrophobicContact CB-CE2 4.13Å; R11-Y20 PolarHBondContact N-O 3.45Å; R11-Y20 PolarHBondContact O-N 3.1Å; S12-Y20 WeakPolarHBondContact O-CE1 3.3Å; S18-Y20 PolarHBondContact O-N 2.9Å; Y20-A22 HydrophobicContact CD2-CB 4.49Å; Y20-A22 HydrophobicContact CE2-CB 4.02Å; Y20-R36 HydrophobicContact CD2-CB 3.72Å; Y20-R36 HydrophobicContact CE2-CB 4.01Å
21V92.3Very high80.4Confident44 Ų4451.6 Ų51.627%0.26735%0.345SS..EExtended strand (participates in β ladder)trans-88122.4173.2-178.50000108.8T8 Y23 V72T8-V21 HydrophobicContact CG2-CG1 4.19Å; V21-Y23 HydrophobicContact CG1-CE2 4.29Å; V21-V72 HydrophobicContact CG1-CG1 3.87Å; V21-V72 HydrophobicContact CG2-CG2 4.3Å
22A94.8Very high80.9Confident1 Ų147.9 Ų47.91%0.00833%0.332CS..EExtended strand (participates in β ladder)trans-97.4143.6167.900000110.2T8 E9 R11 Y20 V35T8-A22 CarbonylContact C-O 3.59Å; T8-A22 VanDerWaalsContact CA-O 3.24Å; T8-A22 WeakPolarHBondContact CA-O 3.39Å; T8-A22 WeakPolarHBondContact CB-O 3.46Å; E9-A22 HydrophobicContact CG-CB 3.78Å; E9-A22 PolarHBondContact N-O 3.08Å; E9-A22 PolarHBondContact O-N 3.13Å; R11-A22 HydrophobicContact CG-CB 4.22Å; Y20-A22 HydrophobicContact CD2-CB 4.49Å; Y20-A22 HydrophobicContact CE2-CB 4.02Å; A22-V35 WeakPolarHBondContact CA-O 3.07Å
23Y96.3Very high81.8Confident3 Ų343.3 Ų43.31%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-105.7120.8177.7-62.5-88.6000107.8I5 T8 V21 I25 V35 R75 R76 L79I5-Y23 HydrophobicContact CG2-CD1 4.25Å; T8-Y23 HydrophobicContact CG2-CD1 3.61Å; T8-Y23 HydrophobicContact CG2-CE1 3.78Å; T8-Y23 HydrophobicContact CG2-CG 4.47Å; V21-Y23 HydrophobicContact CG1-CE2 4.29Å; Y23-I25 PolarHBondContact O-N 3.07Å; Y23-V35 WeakPolarHBondContact CD2-O 3.18Å; Y23-V35 PolarHBondContact N-O 3.35Å; Y23-V35 PolarHBondContact O-N 3.5Å; Y23-V35 VanDerWaalsContact O-N 3.1Å; Y23-R75 HydrophobicContact CE1-CG 4.49Å; Y23-R75 WeakPolarHBondContact OH-CD 3.47Å; Y23-R75 WeakPolarHBondContact OH-CG 3.44Å; Y23-R76 HydrophobicContact CD1-CB 4.19Å; Y23-R76 HydrophobicContact CD1-CG 4.22Å; Y23-R76 HydrophobicContact CE1-CB 4.03Å; Y23-L79 HydrophobicContact CD1-CD1 3.77Å; Y23-L79 HydrophobicContact CD2-CD1 3.92Å; Y23-L79 HydrophobicContact CE1-CD1 3.67Å; Y23-L79 HydrophobicContact CE2-CD1 3.83Å; Y23-L79 HydrophobicContact CG-CD1 3.91Å
24N95.2Very high83.1Confident0 Ų046 Ų460%031%0.305CS..EExtended strand (participates in β ladder)trans-85.999.7-176.1-715.1000108.4I5 P6 E7 E9 H26 L31 R34I5-N24 WeakPolarHBondContact CA-O 3.34Å; P6-N24 WeakPolarHBondContact CD-O 3.37Å; E7-N24 HydrophobicContact CG-CB 3.82Å; E7-N24 WeakPolarHBondContact CG-ND2 3.43Å; E7-N24 PolarHBondContact O-N 3.32Å; E7-N24 PolarHBondContact OE1-ND2 3.33Å; E9-N24 PolarHBondContact OE2-ND2 2.72Å; E9-N24 PolarHBondContact OE2-OD1 2.79Å; N24-H26 PolarHBondContact O-CD2 2.86Å; N24-H26 PolarHBondContact O-N 2.98Å; N24-L31 HydrophobicContact CB-CD1 3.85Å; N24-R34 WeakPolarHBondContact OD1-CG 3.43Å
25I95.1Very high84.8Confident0 Ų039.5 Ų39.50%027%0.271CS..EExtended strand (participates in β ladder)trans-83117.2-179.3-61179.3000108.8F3 I5 Y23 H32 C33 V35 L40 M83F3-I25 HydrophobicContact CD1-CG2 3.8Å; F3-I25 HydrophobicContact CE1-CG2 4.22Å; I5-I25 HydrophobicContact CD1-CG1 4.32Å; I5-I25 HydrophobicContact CG1-CG1 4.25Å; Y23-I25 PolarHBondContact O-N 3.07Å; I25-H32 PolarHBondContact O-N 2.65Å; I25-C33 PolarHBondContact N-O 3.22Å; I25-C33 PolarHBondContact O-N 3.29Å; I25-V35 HydrophobicContact CD1-CG2 3.45Å; I25-V35 VanDerWaalsContact CD1-CG2 3.45Å; I25-V35 HydrophobicContact CG1-CG2 4.06Å; I25-L40 HydrophobicContact CD1-CD1 4.49Å; I25-L40 HydrophobicContact CD1-CD2 4.09Å; I25-M83 HydrophobicContact CD1-CE 4.2Å
26H91.2Very high86.7Confident28 Ų2838.9 Ų38.913%0.1325%0.247CC..EExtended strand (participates in β ladder)trans-101.5136.4174-72.9-137000110F3 S4 P6 N24 G29 V30F3-H26 WeakPolarHBondContact CA-O 3.38Å; S4-H26 PolarHBondContact N-O 2.94Å; S4-H26 PolarHBondContact O-N 2.95Å; P6-H26 HydrophobicContact CG-CB 4.46Å; N24-H26 PolarHBondContact O-CD2 2.86Å; N24-H26 PolarHBondContact O-N 2.98Å; H26-G29 PolarHBondContact ND1-O 3.06Å; H26-G29 VanDerWaalsContact ND1-O 3.12Å; H26-V30 CarbonylContact C-O 3.58Å; H26-V30 WeakPolarHBondContact CA-O 3.5Å
27V87.9Confident88.5Confident9 Ų936.3 Ų36.36%0.05521%0.212CC..EExtended strand (participates in β ladder)trans-112.4118.5172.4174.90000107.8M1 F3 G29 V30 H32 F182M1-V27 HydrophobicContact CG-CG1 3.98Å; M1-V27 HydrophobicContact SD-CG1 3.77Å; F3-V27 HydrophobicContact CD1-CG2 3.92Å; F3-V27 HydrophobicContact CE1-CG2 3.5Å; F3-V27 HydrophobicContact CE2-CG2 4.43Å; F3-V27 HydrophobicContact CZ-CG2 3.79Å; V27-G29 VanDerWaalsContact C-N 3.26Å; V27-G29 PolarHBondContact O-N 3.05Å; V27-V30 PolarHBondContact N-O 3.42Å; V27-V30 PolarHBondContact O-N 3.3Å; V27-V30 VanDerWaalsContact O-N 3.17Å; V27-H32 HydrophobicContact CB-CB 4.21Å; V27-H32 HydrophobicContact CG2-CB 3.7Å; V27-F182 HydrophobicContact CG1-CE2 4.39Å; V27-F182 HydrophobicContact CG1-CZ 3.86Å; V27-F182 HydrophobicContact CG2-CE2 4.14Å; V27-F182 HydrophobicContact CG2-CZ 4.14Å
28N77.7Confident89.9Confident18 Ų1837 Ų3710%0.09621%0.211CC..THydrogen-bonded Turntrans45.253.5-172.2-49-51.2000110.8H2 V30 I370H2-N28 PolarHBondContact N-OD1 3.01Å; H2-N28 PolarHBondContact O-N 2.67Å; N28-V30 PolarHBondContact O-N 3.49Å; N28-V30 VanDerWaalsContact O-N 3.13Å; N28-I370 HydrophobicContact CB-CG2 3.49Å; N28-I370 VanDerWaalsContact CB-CG2 3.49Å; N28-I370 WeakPolarHBondContact O-CD1 3.31Å; N28-I370 WeakPolarHBondContact O-CG1 3.42Å; N28-I370 WeakPolarHBondContact O-CG2 3.35Å
29G76.6Confident90.9Very high36 Ų3634.2 Ų34.237%0.37119%0.186SC..THydrogen-bonded Turntrans76.9-10.6175.800000116.7H26 V27H26-G29 PolarHBondContact ND1-O 3.06Å; H26-G29 VanDerWaalsContact ND1-O 3.12Å; V27-G29 VanDerWaalsContact C-N 3.26Å; V27-G29 PolarHBondContact O-N 3.05Å
30V81.6Confident91.6Very high52 Ų5230.4 Ų30.432%0.31516%0.155SC..EExtended strand (participates in β ladder)trans-99.9134.3177-176.80000109.9H26 V27 N28 H32H26-V30 CarbonylContact C-O 3.58Å; H26-V30 WeakPolarHBondContact CA-O 3.5Å; V27-V30 PolarHBondContact N-O 3.42Å; V27-V30 PolarHBondContact O-N 3.3Å; V27-V30 VanDerWaalsContact O-N 3.17Å; N28-V30 PolarHBondContact O-N 3.49Å; N28-V30 VanDerWaalsContact O-N 3.13Å; V30-H32 PolarHBondContact O-N 2.61Å; V30-H32 VanDerWaalsContact O-N 3.17Å
31L89Confident92.1Very high45 Ų4528 Ų2824%0.23615%0.146CC..EExtended strand (participates in β ladder)trans-57.3120173.4178.770000110.6N24 R34N24-L31 HydrophobicContact CB-CD1 3.85Å; L31-R34 HydrophobicContact CD1-CG 4.37Å; L31-R34 VanDerWaalsContact CD2-NH1 3.26Å; L31-R34 VanDerWaalsContact CD2-NH2 3.29Å
32H93.3Very high92.3Very high7 Ų726.9 Ų26.93%0.03214%0.144CC..EExtended strand (participates in β ladder)trans-98.4-52.9177-177.174.1000111.2I25 V27 V30 L102 Q106 F182I25-H32 PolarHBondContact O-N 2.65Å; V27-H32 HydrophobicContact CB-CB 4.21Å; V27-H32 HydrophobicContact CG2-CB 3.7Å; V30-H32 PolarHBondContact O-N 2.61Å; V30-H32 VanDerWaalsContact O-N 3.17Å; H32-L102 PolarHBondContact NE2-O 2.87Å; H32-Q106 VanDerWaalsContact CE1-CD 3.44Å; H32-F182 AromaticContact CE1-CD2 3.63Å; H32-F182 AromaticContact CE1-CE2 3.67Å; H32-F182 AromaticContact ND1-CE2 3.95Å; H32-F182 AromaticContact NE2-CD2 3.85Å
33C95.4Very high92.5Very high0 Ų026.9 Ų26.90%014%0.144CC..EExtended strand (participates in β ladder)trans-151.3164179.965.10000112.9I25 A105 T109I25-C33 PolarHBondContact N-O 3.22Å; I25-C33 PolarHBondContact O-N 3.29Å; C33-A105 VanDerWaalsContact CB-C 3.48Å; C33-A105 HydrophobicContact CB-CB 3.62Å; C33-A105 WeakPolarHBondContact CB-O 3.41Å; C33-T109 VanDerWaalsContact CA-OG1 3.31Å; C33-T109 WeakPolarHBondContact CA-OG1 3.45Å; C33-T109 WeakPolarHBondContact CB-OG1 3.49Å
34R95.1Very high92.5Very high70 Ų7027.9 Ų27.926%0.26415%0.148SC..EExtended strand (participates in β ladder)trans-118.1119.5173.9-64.3174162.289.99.6108.1E9 N24 L31 T109E9-R34 WeakPolarHBondContact OE1-CD 3.44Å; E9-R34 IonicContact OE1-NE 3.02Å; E9-R34 PolarHBondContact OE1-NE 3.18Å; E9-R34 IonicContact OE2-CZ 2.68Å; E9-R34 IonicContact OE2-NE 2.74Å; E9-R34 PolarHBondContact OE2-NE 3.47Å; E9-R34 IonicContact OE2-NH2 3.99Å; N24-R34 WeakPolarHBondContact OD1-CG 3.43Å; L31-R34 HydrophobicContact CD1-CG 4.37Å; L31-R34 VanDerWaalsContact CD2-NH1 3.26Å; L31-R34 VanDerWaalsContact CD2-NH2 3.29Å; R34-T109 HydrophobicContact CB-CG2 4.11Å; R34-T109 HydrophobicContact CG-CG2 3.81Å; R34-T109 PolarHBondContact N-OG1 2.81Å
35V95.8Very high92.6Very high0 Ų032.1 Ų32.10%017%0.168CC..EExtended strand (participates in β ladder)trans-131.1146.5-175.8-63.20000111.5A22 Y23 I25 Q39 L40 F101 A105A22-V35 WeakPolarHBondContact CA-O 3.07Å; Y23-V35 WeakPolarHBondContact CD2-O 3.18Å; Y23-V35 PolarHBondContact N-O 3.35Å; Y23-V35 PolarHBondContact O-N 3.5Å; Y23-V35 VanDerWaalsContact O-N 3.1Å; I25-V35 HydrophobicContact CD1-CG2 3.45Å; I25-V35 VanDerWaalsContact CD1-CG2 3.45Å; I25-V35 HydrophobicContact CG1-CG2 4.06Å; V35-Q39 VanDerWaalsContact CA-OE1 3.27Å; V35-Q39 HydrophobicContact CB-CB 4.31Å; V35-L40 HydrophobicContact CG2-CD1 3.72Å; V35-L40 HydrophobicContact CG2-CD2 4.07Å; V35-L40 HydrophobicContact CG2-CG 3.69Å; V35-F101 HydrophobicContact CG1-CE1 4.49Å; V35-F101 HydrophobicContact CG1-CZ 3.98Å; V35-A105 HydrophobicContact CG1-CB 3.77Å
36R94.8Very high92.7Very high125 Ų12537.1 Ų37.147%0.47219%0.191SC..EExtended strand (participates in β ladder)trans-84.8157.2169.962.4-179.3-176.8174.53.5110.9Y20 S38 Q39 L40Y20-R36 HydrophobicContact CD2-CB 3.72Å; Y20-R36 HydrophobicContact CE2-CB 4.01Å; R36-S38 VanDerWaalsContact CD-OG 3.29Å; R36-S38 WeakPolarHBondContact CD-OG 3.26Å; R36-S38 WeakPolarHBondContact CG-OG 3.35Å; R36-S38 PolarHBondContact NE-OG 2.84Å; R36-S38 PolarHBondContact O-N 3.03Å; R36-S38 VanDerWaalsContact O-N 3.11Å; R36-Q39 HydrophobicContact CG-CB 4.36Å; R36-Q39 HydrophobicContact CG-CG 3.81Å; R36-Q39 WeakPolarHBondContact O-CB 3.27Å; R36-Q39 PolarHBondContact O-N 3.4Å; R36-L40 PolarHBondContact O-N 3.39Å
37Y95.3Very high93Very high28 Ų2835.8 Ų35.811%0.1119%0.185CC..Hα-helixtrans-49.9-41.5179.2170.3-92.8000113.3Q39 L40 L41 F59 P60 P61 K62 R75 L79Y37-Q39 VanDerWaalsContact C-N 3.28Å; Y37-Q39 PolarHBondContact O-N 3.43Å; Y37-L40 PolarHBondContact O-N 2.93Å; Y37-L41 HydrophobicContact CE1-CB 4.32Å; Y37-L41 HydrophobicContact CE1-CD2 4.23Å; Y37-L41 PolarHBondContact O-N 3.44Å; Y37-F59 AromaticContact CE2-CE1 3.62Å; Y37-F59 HydrophobicContact CE2-CE1 3.62Å; Y37-F59 HydrophobicContact CE2-CZ 4.03Å; Y37-F59 AromaticContact CZ-CE1 3.69Å; Y37-P60 HydrophobicContact CE2-CG 4.23Å; Y37-P60 WeakPolarHBondContact CE2-O 3.32Å; Y37-P60 PolarHBondContact OH-O 2.94Å; Y37-P61 VanDerWaalsContact OH-C 3.26Å; Y37-K62 HydrophobicContact CE1-CG 3.71Å; Y37-K62 PolarHBondContact OH-N 2.91Å; Y37-K62 VanDerWaalsContact OH-N 3.17Å; Y37-R75 HydrophobicContact CD2-CG 4.25Å; Y37-L79 HydrophobicContact CD2-CD1 4.31Å; Y37-L79 HydrophobicContact CD2-CD2 4.31Å
38S94.5Very high93.4Very high54 Ų5441.1 Ų41.138%0.37821%0.205SC..Hα-helixtrans-66.5-26.6-179.352.50000113.9R36 G42R36-S38 VanDerWaalsContact CD-OG 3.29Å; R36-S38 WeakPolarHBondContact CD-OG 3.26Å; R36-S38 WeakPolarHBondContact CG-OG 3.35Å; R36-S38 PolarHBondContact NE-OG 2.84Å; R36-S38 PolarHBondContact O-N 3.03Å; R36-S38 VanDerWaalsContact O-N 3.11Å; S38-G42 PolarHBondContact O-N 3.32Å
39Q96.5Very high94.3Very high49 Ų4949.5 Ų49.523%0.22924%0.24CC..Hα-helixtrans-69.4-45.5172.7-73173.1-63.800110.7V35 R36 Y37 L41 G42 L43 F101 E108V35-Q39 VanDerWaalsContact CA-OE1 3.27Å; V35-Q39 HydrophobicContact CB-CB 4.31Å; R36-Q39 HydrophobicContact CG-CB 4.36Å; R36-Q39 HydrophobicContact CG-CG 3.81Å; R36-Q39 WeakPolarHBondContact O-CB 3.27Å; R36-Q39 PolarHBondContact O-N 3.4Å; Y37-Q39 VanDerWaalsContact C-N 3.28Å; Y37-Q39 PolarHBondContact O-N 3.43Å; Q39-L41 VanDerWaalsContact C-N 3.31Å; Q39-L41 PolarHBondContact O-N 3.45Å; Q39-G42 PolarHBondContact O-N 3.3Å; Q39-L43 PolarHBondContact O-N 2.8Å; Q39-F101 HydrophobicContact CB-CE2 4.13Å; Q39-F101 HydrophobicContact CB-CZ 4.44Å; Q39-E108 PolarHBondContact NE2-OE2 2.82Å
40L97.6Very high95.2Very high0 Ų052.5 Ų52.50%024%0.244CC..Hα-helixtrans-65.2-34.9176.2-72.2171.6000112.4I25 V35 R36 Y37 L43 H44 F59 L79 M83 F101I25-L40 HydrophobicContact CD1-CD1 4.49Å; I25-L40 HydrophobicContact CD1-CD2 4.09Å; V35-L40 HydrophobicContact CG2-CD1 3.72Å; V35-L40 HydrophobicContact CG2-CD2 4.07Å; V35-L40 HydrophobicContact CG2-CG 3.69Å; R36-L40 PolarHBondContact O-N 3.39Å; Y37-L40 PolarHBondContact O-N 2.93Å; L40-L43 HydrophobicContact CD2-CD2 4.46Å; L40-L43 WeakPolarHBondContact O-CB 3.02Å; L40-L43 PolarHBondContact O-N 3.24Å; L40-H44 PolarHBondContact O-N 3.11Å; L40-F59 HydrophobicContact CB-CE2 4.2Å; L40-F59 HydrophobicContact CB-CZ 4.11Å; L40-L79 HydrophobicContact CB-CD2 4.29Å; L40-L79 HydrophobicContact CD1-CB 4.37Å; L40-L79 HydrophobicContact CD1-CD1 3.9Å; L40-L79 HydrophobicContact CD1-CD2 3.91Å; L40-L79 HydrophobicContact CD1-CG 4.28Å; L40-M83 HydrophobicContact CD2-SD 3.68Å; L40-F101 HydrophobicContact CD2-CE1 3.87Å; L40-F101 HydrophobicContact CD2-CZ 3.74Å; L40-F101 HydrophobicContact CG-CZ 4.39Å
41L97.4Very high95.8Very high18 Ų1852.5 Ų52.59%0.09424%0.239CC..Hα-helixtrans-65.7-42.9171.9177.769.1000111.6Y37 Q39 L43 H44 E45 F59 K62Y37-L41 HydrophobicContact CE1-CB 4.32Å; Y37-L41 HydrophobicContact CE1-CD2 4.23Å; Y37-L41 PolarHBondContact O-N 3.44Å; Q39-L41 VanDerWaalsContact C-N 3.31Å; Q39-L41 PolarHBondContact O-N 3.45Å; L41-L43 VanDerWaalsContact C-N 3.28Å; L41-L43 PolarHBondContact O-N 3.3Å; L41-H44 WeakPolarHBondContact O-CB 3.47Å; L41-H44 PolarHBondContact O-N 3.29Å; L41-H44 VanDerWaalsContact O-N 3.09Å; L41-E45 HydrophobicContact CD1-CG 4.31Å; L41-E45 HydrophobicContact CG-CG 4.41Å; L41-E45 WeakPolarHBondContact O-CG 3.35Å; L41-E45 PolarHBondContact O-N 3.49Å; L41-F59 VanDerWaalsContact CA-CZ 3.47Å; L41-F59 HydrophobicContact CB-CE1 3.8Å; L41-F59 HydrophobicContact CB-CZ 3.92Å; L41-F59 HydrophobicContact CD1-CD1 3.77Å; L41-F59 HydrophobicContact CD1-CE1 3.51Å; L41-F59 HydrophobicContact CD1-CZ 4.32Å; L41-F59 HydrophobicContact CG-CE1 4.24Å; L41-K62 HydrophobicContact CD2-CD 4.25Å; L41-K62 HydrophobicContact CD2-CG 4.4Å
42G97.7Very high96Very high21 Ų2151.8 Ų51.822%0.21624%0.243CC..Hα-helixtrans-58.5-42.1175.900000111.8S38 Q39 E45 Q46S38-G42 PolarHBondContact O-N 3.32Å; Q39-G42 PolarHBondContact O-N 3.3Å; G42-E45 PolarHBondContact O-N 3.11Å; G42-Q46 VanDerWaalsContact O-CG 3.31Å; G42-Q46 WeakPolarHBondContact O-CG 3.2Å; G42-Q46 PolarHBondContact O-N 3.38Å
43L97.6Very high95.9Very high2 Ų254.6 Ų54.61%0.0127%0.268CS..Hα-helixtrans-58.2-49.3170.616965.8000111.6Q39 L40 L41 E45 Q46 L47 M83 T97 F98 F101Q39-L43 PolarHBondContact O-N 2.8Å; L40-L43 HydrophobicContact CD2-CD2 4.46Å; L40-L43 WeakPolarHBondContact O-CB 3.02Å; L40-L43 PolarHBondContact O-N 3.24Å; L41-L43 VanDerWaalsContact C-N 3.28Å; L41-L43 PolarHBondContact O-N 3.3Å; L43-E45 VanDerWaalsContact C-N 3.32Å; L43-E45 PolarHBondContact O-N 2.59Å; L43-Q46 PolarHBondContact O-N 3.49Å; L43-L47 HydrophobicContact CD1-CD1 3.88Å; L43-L47 HydrophobicContact CD1-CG 3.98Å; L43-L47 HydrophobicContact CG-CD1 4.04Å; L43-L47 HydrophobicContact CG-CG 4.49Å; L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 2.63Å; L43-M83 HydrophobicContact CD2-SD 4.49Å; L43-T97 HydrophobicContact CD1-CG2 4.23Å; L43-F98 HydrophobicContact CD1-CD2 4.28Å; L43-F98 HydrophobicContact CD2-CD2 3.84Å; L43-F98 HydrophobicContact CD2-CE2 4.05Å; L43-F101 HydrophobicContact CB-CD2 3.92Å; L43-F101 HydrophobicContact CB-CE2 4.09Å; L43-F101 HydrophobicContact CB-CG 4.21Å; L43-F101 HydrophobicContact CD1-CB 3.92Å; L43-F101 HydrophobicContact CD1-CG 4.12Å; L43-F101 HydrophobicContact CD2-CD1 3.69Å; L43-F101 HydrophobicContact CD2-CD2 4.42Å; L43-F101 HydrophobicContact CD2-CE1 3.93Å; L43-F101 HydrophobicContact CD2-CG 3.96Å; L43-F101 HydrophobicContact CD2-CZ 4.39Å; L43-F101 HydrophobicContact CG-CG 4.31Å
44H97.6Very high95.6Very high23 Ų2362.7 Ų62.711%0.10631%0.311CS..Hα-helixtrans-57.4-44.5178.5175.271.4000112.4L40 L41 Q46 L47 R48 F59 Y82L40-H44 PolarHBondContact O-N 3.11Å; L41-H44 WeakPolarHBondContact O-CB 3.47Å; L41-H44 PolarHBondContact O-N 3.29Å; L41-H44 VanDerWaalsContact O-N 3.09Å; H44-Q46 VanDerWaalsContact C-N 3.35Å; H44-Q46 PolarHBondContact O-N 2.89Å; H44-L47 PolarHBondContact O-N 3.09Å; H44-R48 VanDerWaalsContact O-CB 3.25Å; H44-R48 WeakPolarHBondContact O-CB 3.3Å; H44-R48 PolarHBondContact O-N 3.2Å; H44-F59 HydrophobicContact CB-CD2 3.65Å; H44-F59 HydrophobicContact CB-CE2 3.92Å; H44-F59 HydrophobicContact CB-CG 3.99Å; H44-F59 HydrophobicContact CB-CZ 4.49Å; H44-F59 AromaticContact CD2-CG 3.96Å; H44-F59 AromaticContact CG-CD2 3.76Å; H44-F59 AromaticContact CG-CG 3.69Å; H44-Y82 WeakPolarHBondContact CA-OH 3.49Å; H44-Y82 WeakPolarHBondContact CB-OH 3.13Å; H44-Y82 AromaticContact ND1-CE2 3.56Å; H44-Y82 AromaticContact ND1-CZ 3.68Å; H44-Y82 PolarHBondContact ND1-OH 3.09Å; H44-Y82 VanDerWaalsContact ND1-OH 3.15Å
45E97.4Very high95.3Very high89 Ų8962.2 Ų62.242%0.41632%0.315SS..Hα-helixtrans-65.7-36.7178.9-71176168.200112.5L41 G42 L43 R48 K49L41-E45 HydrophobicContact CD1-CG 4.31Å; L41-E45 HydrophobicContact CG-CG 4.41Å; L41-E45 WeakPolarHBondContact O-CG 3.35Å; L41-E45 PolarHBondContact O-N 3.49Å; G42-E45 PolarHBondContact O-N 3.11Å; L43-E45 VanDerWaalsContact C-N 3.32Å; L43-E45 PolarHBondContact O-N 2.59Å; E45-R48 PolarHBondContact O-N 3.25Å; E45-K49 WeakPolarHBondContact O-CB 3.32Å; E45-K49 PolarHBondContact O-N 2.99Å
46Q97.4Very high95.2Very high105 Ų10563.2 Ų63.249%0.49132%0.32SS..Hα-helixtrans-65.9-49.8174.5-72.417418.900111.5G42 L43 H44 R48 K49 E50 T97G42-Q46 VanDerWaalsContact O-CG 3.31Å; G42-Q46 WeakPolarHBondContact O-CG 3.2Å; G42-Q46 PolarHBondContact O-N 3.38Å; L43-Q46 PolarHBondContact O-N 3.49Å; H44-Q46 VanDerWaalsContact C-N 3.35Å; H44-Q46 PolarHBondContact O-N 2.89Å; Q46-R48 VanDerWaalsContact C-N 3.26Å; Q46-R48 PolarHBondContact O-N 2.85Å; Q46-K49 WeakPolarHBondContact O-CB 3.27Å; Q46-K49 PolarHBondContact O-N 2.95Å; Q46-K49 VanDerWaalsContact O-N 3.12Å; Q46-E50 PolarHBondContact O-N 3.5Å; Q46-T97 HydrophobicContact CB-CG2 3.85Å
47L96.9Very high95.1Very high0 Ų058.8 Ų58.80%031%0.308CS..Hα-helixtrans-60.3-38.8175.8-67.1172.8000111.2L43 H44 K49 E50 Y51 L56 V86 T97L43-L47 HydrophobicContact CD1-CD1 3.88Å; L43-L47 HydrophobicContact CD1-CG 3.98Å; L43-L47 HydrophobicContact CG-CD1 4.04Å; L43-L47 HydrophobicContact CG-CG 4.49Å; L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 2.63Å; H44-L47 PolarHBondContact O-N 3.09Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 2.87Å; L47-E50 PolarHBondContact O-N 3.18Å; L47-Y51 HydrophobicContact CB-CD2 4.46Å; L47-Y51 HydrophobicContact CD2-CD2 4.05Å; L47-Y51 HydrophobicContact CD2-CE2 3.87Å; L47-Y51 WeakPolarHBondContact O-CD2 3.34Å; L47-Y51 PolarHBondContact O-N 2.89Å; L47-L56 HydrophobicContact CB-CD1 4.44Å; L47-L56 HydrophobicContact CB-CD2 3.65Å; L47-L56 HydrophobicContact CD1-CD2 4.19Å; L47-V86 HydrophobicContact CD1-CG1 4.06Å; L47-T97 HydrophobicContact CD2-CG2 3.76Å; L47-T97 HydrophobicContact CG-CG2 4.16Å
48R96.1Very high95.1Very high122 Ų12262 Ų6246%0.4634%0.34SS..Hα-helixtrans-62.5-39.1175.6-170.1-179.664.3177.9-3.6112.9H44 E45 Q46 E50 G52 A53 L56H44-R48 VanDerWaalsContact O-CB 3.25Å; H44-R48 WeakPolarHBondContact O-CB 3.3Å; H44-R48 PolarHBondContact O-N 3.2Å; E45-R48 PolarHBondContact O-N 3.25Å; Q46-R48 VanDerWaalsContact C-N 3.26Å; Q46-R48 PolarHBondContact O-N 2.85Å; R48-E50 VanDerWaalsContact C-N 3.34Å; R48-G52 WeakPolarHBondContact O-CA 3.31Å; R48-G52 PolarHBondContact O-N 3.15Å; R48-A53 HydrophobicContact CG-CB 4.14Å; R48-L56 HydrophobicContact CB-CD1 3.63Å; R48-L56 HydrophobicContact CG-CD1 4.09Å
49K96.4Very high95.2Very high193 Ų19360.9 Ų60.984%0.83933%0.329SS*.Hα-helixtrans-67.3-37.5177-176.1-178.1176.4-175.60111.7E45 Q46 L47E45-K49 WeakPolarHBondContact O-CB 3.32Å; E45-K49 PolarHBondContact O-N 2.99Å; Q46-K49 WeakPolarHBondContact O-CB 3.27Å; Q46-K49 PolarHBondContact O-N 2.95Å; Q46-K49 VanDerWaalsContact O-N 3.12Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 2.87Å
50E95.7Very high95.1Very high99 Ų9958.8 Ų58.846%0.46332%0.319SS..Hα-helixtrans-83.1-43.4-174.9-169.6179.1165.200113.1Q46 L47 R48 T97Q46-E50 PolarHBondContact O-N 3.5Å; L47-E50 PolarHBondContact O-N 3.18Å; R48-E50 VanDerWaalsContact C-N 3.34Å; E50-T97 WeakPolarHBondContact OE2-CB 3.39Å; E50-T97 PolarHBondContact OE2-OG1 3.28Å
51Y94.5Very high94.8Very high52 Ų5263.2 Ų63.220%0.20435%0.348CS..Hα-helixtrans-110.3-10-171.4-59-76.9000114.1L47 V55 L91 L92 S95L47-Y51 HydrophobicContact CB-CD2 4.46Å; L47-Y51 HydrophobicContact CD2-CD2 4.05Å; L47-Y51 HydrophobicContact CD2-CE2 3.87Å; L47-Y51 WeakPolarHBondContact O-CD2 3.34Å; L47-Y51 PolarHBondContact O-N 2.89Å; Y51-V55 WeakPolarHBondContact O-CG2 3.39Å; Y51-L91 HydrophobicContact CD1-CD1 4.38Å; Y51-L91 HydrophobicContact CD1-CD2 3.59Å; Y51-L91 HydrophobicContact CD1-CG 3.82Å; Y51-L91 HydrophobicContact CE1-CD1 3.94Å; Y51-L91 HydrophobicContact CE1-CD2 4.01Å; Y51-L91 HydrophobicContact CE1-CG 3.73Å; Y51-L92 HydrophobicContact CD1-CD2 4.23Å; Y51-L92 HydrophobicContact CD2-CD2 3.49Å; Y51-L92 VanDerWaalsContact CD2-CD2 3.49Å; Y51-L92 HydrophobicContact CE2-CD2 4.11Å; Y51-L92 HydrophobicContact CG-CD2 3.59Å; Y51-S95 WeakPolarHBondContact OH-CB 3.39Å
52G92.8Very high94.5Very high31 Ų3169.4 Ų69.432%0.3238%0.375SS..  trans82.7152.9-179.300000113.9R48 N54 V55 L56R48-G52 WeakPolarHBondContact O-CA 3.31Å; R48-G52 PolarHBondContact O-N 3.15Å; G52-N54 VanDerWaalsContact C-N 3.28Å; G52-N54 PolarHBondContact O-N 3.49Å; G52-V55 PolarHBondContact O-N 3.25Å; G52-L56 WeakPolarHBondContact O-CD1 3.43Å
53A90.6Very high94Very high66 Ų6672.9 Ų72.955%0.54538%0.384SS..THydrogen-bonded Turntrans-64.3-26.3-171.200000114.9R48 V55 L56R48-A53 HydrophobicContact CG-CB 4.14Å; A53-V55 VanDerWaalsContact C-N 3.27Å; A53-V55 PolarHBondContact O-N 3Å; A53-L56 PolarHBondContact O-N 3.48Å
54N89.8Confident93.1Very high170 Ų17080.9 Ų80.991%0.90943%0.426SS*.THydrogen-bonded Turntrans-74.1-17.5-175.9-64.8-18000113.6G52G52-N54 VanDerWaalsContact C-N 3.28Å; G52-N54 PolarHBondContact O-N 3.49Å
55V89.6Confident92.4Very high59 Ų5988.2 Ų88.236%0.35846%0.457SS..THydrogen-bonded Turntrans-90.2-23.5-179.6-175.40000111.2Y51 G52 A53 L92Y51-V55 WeakPolarHBondContact O-CG2 3.39Å; G52-V55 PolarHBondContact O-N 3.25Å; A53-V55 VanDerWaalsContact C-N 3.27Å; A53-V55 PolarHBondContact O-N 3Å; V55-L92 HydrophobicContact CG1-CD1 4.35Å; V55-L92 HydrophobicContact CG1-CD2 4.31Å; V55-L92 HydrophobicContact CG1-CG 4.33Å
56L92.6Very high91.7Very high21 Ų2189.5 Ų89.511%0.1148%0.476CS..SBendtrans-82.1140.9-172.3-80.3129.4000113.1L47 R48 G52 A53 L92L47-L56 HydrophobicContact CB-CD1 4.44Å; L47-L56 HydrophobicContact CB-CD2 3.65Å; L47-L56 HydrophobicContact CD1-CD2 4.19Å; R48-L56 HydrophobicContact CB-CD1 3.63Å; R48-L56 HydrophobicContact CG-CD1 4.09Å; G52-L56 WeakPolarHBondContact O-CD1 3.43Å; A53-L56 PolarHBondContact O-N 3.48Å; L56-L92 HydrophobicContact CD2-CD1 4.44Å; L56-L92 HydrophobicContact CG-CD1 4.44Å
57P94.3Very high91.3Very high32 Ų3286.5 Ų86.521%0.20846%0.463CS..PPolyproline II helixtrans-64157.4166.526.7-31.2000110.8F59 Y82 A85 V86P57-F59 PolarHBondContact O-N 2.93Å; P57-Y82 HydrophobicContact CB-CD2 4.28Å; P57-Y82 HydrophobicContact CG-CD2 3.72Å; P57-Y82 HydrophobicContact CG-CE2 3.75Å; P57-A85 HydrophobicContact CB-CB 3.69Å; P57-A85 HydrophobicContact CG-CB 3.79Å; P57-V86 HydrophobicContact CG-CG2 3.71Å
58A94.1Very high91Very high96 Ų9690 Ų9079%0.79348%0.484SS*.PPolyproline II helixtrans-59.3127.7178.700000111.1
59F96.8Very high90.7Very high30 Ų3089.6 Ų89.613%0.13250%0.498CS..PPolyproline II helixtrans-99.4136.7177.1-168.3-94.6000110.9Y37 L40 L41 H44 P57 L79 Y82Y37-F59 AromaticContact CE2-CE1 3.62Å; Y37-F59 HydrophobicContact CE2-CE1 3.62Å; Y37-F59 HydrophobicContact CE2-CZ 4.03Å; Y37-F59 AromaticContact CZ-CE1 3.69Å; L40-F59 HydrophobicContact CB-CE2 4.2Å; L40-F59 HydrophobicContact CB-CZ 4.11Å; L41-F59 VanDerWaalsContact CA-CZ 3.47Å; L41-F59 HydrophobicContact CB-CE1 3.8Å; L41-F59 HydrophobicContact CB-CZ 3.92Å; L41-F59 HydrophobicContact CD1-CD1 3.77Å; L41-F59 HydrophobicContact CD1-CE1 3.51Å; L41-F59 HydrophobicContact CD1-CZ 4.32Å; L41-F59 HydrophobicContact CG-CE1 4.24Å; H44-F59 HydrophobicContact CB-CD2 3.65Å; H44-F59 HydrophobicContact CB-CE2 3.92Å; H44-F59 HydrophobicContact CB-CG 3.99Å; H44-F59 HydrophobicContact CB-CZ 4.49Å; H44-F59 AromaticContact CD2-CG 3.96Å; H44-F59 AromaticContact CG-CD2 3.76Å; H44-F59 AromaticContact CG-CG 3.69Å; P57-F59 PolarHBondContact O-N 2.93Å; F59-L79 HydrophobicContact CE2-CD2 3.84Å; F59-L79 HydrophobicContact CZ-CD2 3.81Å; F59-Y82 HydrophobicContact CB-CD2 4.31Å; F59-Y82 HydrophobicContact CB-CE2 4.21Å; F59-Y82 AromaticContact CD2-CD1 3.94Å; F59-Y82 HydrophobicContact CD2-CD1 3.94Å; F59-Y82 AromaticContact CD2-CD2 3.76Å; F59-Y82 HydrophobicContact CD2-CD2 3.76Å; F59-Y82 AromaticContact CD2-CE1 3.85Å; F59-Y82 HydrophobicContact CD2-CE1 3.85Å; F59-Y82 AromaticContact CD2-CE2 3.66Å; F59-Y82 HydrophobicContact CD2-CE2 3.66Å; F59-Y82 AromaticContact CD2-CG 3.9Å; F59-Y82 HydrophobicContact CD2-CG 3.9Å; F59-Y82 AromaticContact CD2-CZ 3.71Å; F59-Y82 HydrophobicContact CE2-CD1 4.08Å; F59-Y82 HydrophobicContact CE2-CE1 4.01Å; F59-Y82 HydrophobicContact CE2-CG 4.42Å; F59-Y82 HydrophobicContact CG-CE2 4.44Å
60P94.9Very high90.6Very high5 Ų584 Ų843%0.03249%0.487CS..PPolyproline II helixtrans-61.8128.8179.920.6-30.5000111.8Y37 R75 Q78 L79Y37-P60 HydrophobicContact CE2-CG 4.23Å; Y37-P60 WeakPolarHBondContact CE2-O 3.32Å; Y37-P60 PolarHBondContact OH-O 2.94Å; P60-R75 HydrophobicContact CB-CG 4.49Å; P60-Q78 HydrophobicContact CB-CB 3.89Å; P60-Q78 HydrophobicContact CG-CB 4.08Å; P60-L79 HydrophobicContact CG-CD2 3.39Å; P60-L79 HydrophobicContact CG-CG 3.8Å
61P91.8Very high90.5Very high93 Ų9381.8 Ų81.860%0.60448%0.477SS*.PPolyproline II helixtrans-72.1156.1-173.728.7-35.2000113.1Y37 R75Y37-P61 VanDerWaalsContact OH-C 3.26Å; P61-R75 PolarHBondContact O-NH2 3.18Å
62K90.3Very high90.4Very high149 Ų14980.2 Ų80.265%0.64847%0.473SS*.PPolyproline II helixtrans-63.4143.6167.8-76.6-173.9-171.7176.70109.7Y37 L41Y37-K62 HydrophobicContact CE1-CG 3.71Å; Y37-K62 PolarHBondContact OH-N 2.91Å; Y37-K62 VanDerWaalsContact OH-N 3.17Å; L41-K62 HydrophobicContact CD2-CD 4.25Å; L41-K62 HydrophobicContact CD2-CG 4.4Å
63K86.8Confident90.5Very high94 Ų9482.5 Ų82.541%0.40948%0.475SS..  trans-109.4147167.5-63.6-156.8-169.1-171.30108.8F65 L67 E71K63-F65 VanDerWaalsContact C-N 3.34Å; K63-L67 HydrophobicContact CB-CD2 3.93Å; K63-L67 HydrophobicContact CD-CD2 3.62Å; K63-L67 HydrophobicContact CG-CD2 3.94Å; K63-E71 IonicContact NZ-OE1 3.05Å; K63-E71 PolarHBondContact NZ-OE1 3.15Å
64L78.1Confident90.7Very high170 Ų17083.8 Ų83.889%0.8947%0.47SS*.SBendtrans-78-18.5-176-65.5172.3000113.4
65F82.9Confident91Very high177 Ų17777 Ų7778%0.77643%0.432SS*.SBendtrans-116.7166.1-179.6-57.6-69.2000111.2K63K63-F65 VanDerWaalsContact C-N 3.34Å
66S83.5Confident91.3Very high116 Ų11675.3 Ų75.381%0.81142%0.419SS*.PPolyproline II helixtrans-57139.4170.947.20000110.4
67L88.1Confident91.4Very high42 Ų4277.7 Ų77.722%0.2243%0.429CS..PPolyproline II helixtrans-75.9138.7178.8-65-169.7000111K63 E71 V72 R75K63-L67 HydrophobicContact CB-CD2 3.93Å; K63-L67 HydrophobicContact CD-CD2 3.62Å; K63-L67 HydrophobicContact CG-CD2 3.94Å; L67-E71 HydrophobicContact CB-CB 4.12Å; L67-E71 HydrophobicContact CD1-CB 4.47Å; L67-E71 HydrophobicContact CD2-CB 3.97Å; L67-E71 HydrophobicContact CG-CB 4.41Å; L67-V72 HydrophobicContact CB-CG2 3.66Å; L67-V72 HydrophobicContact CD1-CG2 3.92Å; L67-V72 HydrophobicContact CG-CG2 4.47Å; L67-R75 HydrophobicContact CD1-CB 4.46Å
68T90.7Very high91.6Very high72 Ų7279.7 Ų79.744%0.44244%0.436SS..PPolyproline II helixtrans-68.2159.8160.962.80000110.6A70 E71 V72T68-A70 VanDerWaalsContact C-N 3.26Å; T68-A70 PolarHBondContact O-N 3.34Å; T68-E71 WeakPolarHBondContact CB-OE2 3.29Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.22Å; T68-E71 PolarHBondContact N-OE2 3.12Å; T68-E71 PolarHBondContact O-N 3.42Å; T68-E71 VanDerWaalsContact OG1-CD 3.32Å; T68-E71 WeakPolarHBondContact OG1-CG 3.41Å; T68-E71 PolarHBondContact OG1-N 2.9Å; T68-E71 PolarHBondContact OG1-OE2 3.05Å; T68-V72 PolarHBondContact O-N 3.35Å
69P90.9Very high91.8Very high114 Ų11475.1 Ų75.174%0.7440%0.398SS*.Hα-helixtrans-54.7-39.2176.9-2836000113.9E71 V72 E73P69-E71 VanDerWaalsContact C-N 3.34Å; P69-E71 PolarHBondContact O-N 3.05Å; P69-V72 WeakPolarHBondContact O-CB 3.3Å; P69-V72 PolarHBondContact O-N 2.97Å; P69-E73 PolarHBondContact O-N 2.84Å
70A92.9Very high91.7Very high75 Ų7575.5 Ų75.562%0.6240%0.401SS*.Hα-helixtrans-64.8-37.4176.700000112.5T68 E73 Q74T68-A70 VanDerWaalsContact C-N 3.26Å; T68-A70 PolarHBondContact O-N 3.34Å; A70-E73 PolarHBondContact O-N 3.08Å; A70-Q74 WeakPolarHBondContact O-CB 3.5Å; A70-Q74 PolarHBondContact O-N 2.97Å
71E93.8Very high91.7Very high53 Ų5380.2 Ų80.225%0.24842%0.42CS..Hα-helixtrans-74.4-28.2176.4-65.9168.7121.300112.7K63 L67 T68 P69 R75K63-E71 IonicContact NZ-OE1 3.05Å; K63-E71 PolarHBondContact NZ-OE1 3.15Å; L67-E71 HydrophobicContact CB-CB 4.12Å; L67-E71 HydrophobicContact CD1-CB 4.47Å; L67-E71 HydrophobicContact CD2-CB 3.97Å; L67-E71 HydrophobicContact CG-CB 4.41Å; T68-E71 WeakPolarHBondContact CB-OE2 3.29Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.22Å; T68-E71 PolarHBondContact N-OE2 3.12Å; T68-E71 PolarHBondContact O-N 3.42Å; T68-E71 VanDerWaalsContact OG1-CD 3.32Å; T68-E71 WeakPolarHBondContact OG1-CG 3.41Å; T68-E71 PolarHBondContact OG1-N 2.9Å; T68-E71 PolarHBondContact OG1-OE2 3.05Å; P69-E71 VanDerWaalsContact C-N 3.34Å; P69-E71 PolarHBondContact O-N 3.05Å; E71-R75 VanDerWaalsContact O-CB 3.29Å; E71-R75 WeakPolarHBondContact O-CB 3.27Å; E71-R75 PolarHBondContact O-N 3.44Å
72V93.4Very high91.9Very high19 Ų1975.9 Ų75.912%0.11539%0.392CS..Hα-helixtrans-63.5-46.6170.6171.40000109.9T8 V21 L67 T68 P69 R75 R76T8-V72 HydrophobicContact CG2-CG1 4.18Å; V21-V72 HydrophobicContact CG1-CG1 3.87Å; V21-V72 HydrophobicContact CG2-CG2 4.3Å; L67-V72 HydrophobicContact CB-CG2 3.66Å; L67-V72 HydrophobicContact CD1-CG2 3.92Å; L67-V72 HydrophobicContact CG-CG2 4.47Å; T68-V72 PolarHBondContact O-N 3.35Å; P69-V72 WeakPolarHBondContact O-CB 3.3Å; P69-V72 PolarHBondContact O-N 2.97Å; V72-R75 PolarHBondContact O-N 3.25Å; V72-R76 PolarHBondContact O-N 3.45Å
73E94.6Very high92.2Very high79 Ų7968.9 Ų68.937%0.36936%0.362SS..Hα-helixtrans-64.9-45.7178.9-174.356.4-158.400111.8P69 A70 R75 R76 E77P69-E73 PolarHBondContact O-N 2.84Å; A70-E73 PolarHBondContact O-N 3.08Å; E73-R75 VanDerWaalsContact C-N 3.26Å; E73-R75 PolarHBondContact O-N 2.89Å; E73-R76 VanDerWaalsContact CD-NE 3.25Å; E73-R76 VanDerWaalsContact O-CB 3.28Å; E73-R76 WeakPolarHBondContact O-CB 3.41Å; E73-R76 PolarHBondContact O-N 3.43Å; E73-R76 IonicContact OE1-CZ 2.64Å; E73-R76 IonicContact OE1-NE 3.96Å; E73-R76 PolarHBondContact OE1-NE 2.67Å; E73-R76 IonicContact OE1-NH2 3.78Å; E73-R76 PolarHBondContact OE1-NH2 3.34Å; E73-R76 WeakPolarHBondContact OE2-CD 3.34Å; E73-R76 IonicContact OE2-NE 2.77Å; E73-R76 PolarHBondContact OE2-NE 3.24Å; E73-R76 VanDerWaalsContact OE2-NE 3.11Å; E73-E77 PolarHBondContact O-N 2.83Å
74Q95Very high92.5Very high94 Ų9464.8 Ų64.844%0.43934%0.344SS..Hα-helixtrans-57-41.8173.6-173.7-176.527.300111.9A70 Q78A70-Q74 WeakPolarHBondContact O-CB 3.5Å; A70-Q74 PolarHBondContact O-N 2.97Å; Q74-Q78 VanDerWaalsContact O-CG 3.27Å; Q74-Q78 WeakPolarHBondContact O-CG 3.34Å; Q74-Q78 PolarHBondContact O-N 3.05Å; Q74-Q78 VanDerWaalsContact O-N 3.11Å
75R95.6Very high93.3Very high26 Ų2658.4 Ų58.410%0.09832%0.316CS..Hα-helixtrans-67.9-37.3176.7179.4174.1-78167.12.3111.6Y23 Y37 P60 P61 L67 E71 V72 E73 Q78 L79Y23-R75 HydrophobicContact CE1-CG 4.49Å; Y23-R75 WeakPolarHBondContact OH-CD 3.47Å; Y23-R75 WeakPolarHBondContact OH-CG 3.44Å; Y37-R75 HydrophobicContact CD2-CG 4.25Å; P60-R75 HydrophobicContact CB-CG 4.49Å; P61-R75 PolarHBondContact O-NH2 3.18Å; L67-R75 HydrophobicContact CD1-CB 4.46Å; E71-R75 VanDerWaalsContact O-CB 3.29Å; E71-R75 WeakPolarHBondContact O-CB 3.27Å; E71-R75 PolarHBondContact O-N 3.44Å; V72-R75 PolarHBondContact O-N 3.25Å; E73-R75 VanDerWaalsContact C-N 3.26Å; E73-R75 PolarHBondContact O-N 2.89Å; R75-Q78 PolarHBondContact O-N 3.37Å; R75-L79 HydrophobicContact CG-CD1 3.93Å; R75-L79 HydrophobicContact CG-CG 4.19Å; R75-L79 WeakPolarHBondContact O-CB 3.45Å; R75-L79 VanDerWaalsContact O-CG 3.25Å; R75-L79 WeakPolarHBondContact O-CG 3.38Å; R75-L79 PolarHBondContact O-N 3.36Å
76R96.4Very high93.9Very high24 Ų2450 Ų509%0.09128%0.279CS..Hα-helixtrans-57.3-50.7175.3-174.3-158.267.263.22.4110.4I5 T8 Y23 V72 E73 Q78 L79 E80I5-R76 HydrophobicContact CB-CG 4.09Å; I5-R76 HydrophobicContact CG2-CG 3.63Å; I5-R76 WeakPolarHBondContact O-CD 3.03Å; I5-R76 WeakPolarHBondContact O-CG 3.47Å; I5-R76 PolarHBondContact O-NH1 3.04Å; T8-R76 HydrophobicContact CG2-CB 4.05Å; T8-R76 HydrophobicContact CG2-CG 3.83Å; Y23-R76 HydrophobicContact CD1-CB 4.19Å; Y23-R76 HydrophobicContact CD1-CG 4.22Å; Y23-R76 HydrophobicContact CE1-CB 4.03Å; V72-R76 PolarHBondContact O-N 3.45Å; E73-R76 VanDerWaalsContact CD-NE 3.25Å; E73-R76 VanDerWaalsContact O-CB 3.28Å; E73-R76 WeakPolarHBondContact O-CB 3.41Å; E73-R76 PolarHBondContact O-N 3.43Å; E73-R76 IonicContact OE1-CZ 2.64Å; E73-R76 IonicContact OE1-NE 3.96Å; E73-R76 PolarHBondContact OE1-NE 2.67Å; E73-R76 IonicContact OE1-NH2 3.78Å; E73-R76 PolarHBondContact OE1-NH2 3.34Å; E73-R76 WeakPolarHBondContact OE2-CD 3.34Å; E73-R76 IonicContact OE2-NE 2.77Å; E73-R76 PolarHBondContact OE2-NE 3.24Å; E73-R76 VanDerWaalsContact OE2-NE 3.11Å; R76-Q78 PolarHBondContact O-N 3.17Å; R76-L79 PolarHBondContact O-N 3.19Å; R76-E80 IonicContact NH1-OE2 3.11Å; R76-E80 PolarHBondContact NH1-OE2 3.02Å; R76-E80 WeakPolarHBondContact O-CB 3.37Å; R76-E80 PolarHBondContact O-N 3.37Å
77E95.4Very high94.2Very high71 Ų7147 Ų4733%0.33225%0.25SC..Hα-helixtrans-59.9-42.7177-68.4176.9-179.700112.7E73 E80 K81E73-E77 PolarHBondContact O-N 2.83Å; E77-E80 PolarHBondContact O-N 3.19Å; E77-K81 WeakPolarHBondContact O-CG 3.36Å; E77-K81 PolarHBondContact O-N 3.23Å
78Q97.3Very high94.2Very high75 Ų7551.2 Ų51.235%0.3527%0.268SS..Hα-helixtrans-65.9-40.7178.3-72.5172.1-20.600112.2P60 Q74 R75 R76 Y82P60-Q78 HydrophobicContact CB-CB 3.89Å; P60-Q78 HydrophobicContact CG-CB 4.08Å; Q74-Q78 VanDerWaalsContact O-CG 3.27Å; Q74-Q78 WeakPolarHBondContact O-CG 3.34Å; Q74-Q78 PolarHBondContact O-N 3.05Å; Q74-Q78 VanDerWaalsContact O-N 3.11Å; R75-Q78 PolarHBondContact O-N 3.37Å; R76-Q78 PolarHBondContact O-N 3.17Å; Q78-Y82 WeakPolarHBondContact O-CB 3.16Å; Q78-Y82 PolarHBondContact O-N 3.07Å
79L97.6Very high94.2Very high0 Ų050 Ų500%026%0.259CS..Hα-helixtrans-67.3-37.9175.6-70.7172000111.5I5 Y23 Y37 L40 F59 P60 R75 R76 Y82 M83I5-L79 HydrophobicContact CD1-CB 3.82Å; Y23-L79 HydrophobicContact CD1-CD1 3.77Å; Y23-L79 HydrophobicContact CD2-CD1 3.92Å; Y23-L79 HydrophobicContact CE1-CD1 3.67Å; Y23-L79 HydrophobicContact CE2-CD1 3.83Å; Y23-L79 HydrophobicContact CG-CD1 3.91Å; Y37-L79 HydrophobicContact CD2-CD1 4.31Å; Y37-L79 HydrophobicContact CD2-CD2 4.31Å; L40-L79 HydrophobicContact CB-CD2 4.29Å; L40-L79 HydrophobicContact CD1-CB 4.37Å; L40-L79 HydrophobicContact CD1-CD1 3.9Å; L40-L79 HydrophobicContact CD1-CD2 3.91Å; L40-L79 HydrophobicContact CD1-CG 4.28Å; F59-L79 HydrophobicContact CE2-CD2 3.84Å; F59-L79 HydrophobicContact CZ-CD2 3.81Å; P60-L79 HydrophobicContact CG-CD2 3.39Å; P60-L79 HydrophobicContact CG-CG 3.8Å; R75-L79 HydrophobicContact CG-CD1 3.93Å; R75-L79 HydrophobicContact CG-CG 4.19Å; R75-L79 WeakPolarHBondContact O-CB 3.45Å; R75-L79 VanDerWaalsContact O-CG 3.25Å; R75-L79 WeakPolarHBondContact O-CG 3.38Å; R75-L79 PolarHBondContact O-N 3.36Å; R76-L79 PolarHBondContact O-N 3.19Å; L79-Y82 WeakPolarHBondContact O-CB 3.35Å; L79-Y82 PolarHBondContact O-N 3.03Å; L79-M83 VanDerWaalsContact O-CG 3.31Å; L79-M83 WeakPolarHBondContact O-CG 3.45Å; L79-M83 PolarHBondContact O-N 2.69Å
80E95.8Very high94Very high38 Ų3850 Ų5018%0.17826%0.259CS..Hα-helixtrans-60.9-51.2175-177.6177.2104.200110.9S4 I5 R76 E77 Y82 M83 Q84S4-E80 WeakPolarHBondContact CA-OE2 3.32Å; I5-E80 HydrophobicContact CB-CB 4.22Å; I5-E80 HydrophobicContact CD1-CB 4.15Å; I5-E80 HydrophobicContact CG1-CB 3.98Å; I5-E80 HydrophobicContact CG1-CG 4.39Å; I5-E80 PolarHBondContact N-OE2 3.04Å; R76-E80 IonicContact NH1-OE2 3.11Å; R76-E80 PolarHBondContact NH1-OE2 3.02Å; R76-E80 WeakPolarHBondContact O-CB 3.37Å; R76-E80 PolarHBondContact O-N 3.37Å; E77-E80 PolarHBondContact O-N 3.19Å; E80-Y82 VanDerWaalsContact C-N 3.28Å; E80-Y82 PolarHBondContact O-N 3Å; E80-M83 PolarHBondContact O-N 2.87Å; E80-Q84 WeakPolarHBondContact O-CG 3.36Å; E80-Q84 PolarHBondContact O-N 3.31Å
81K94.9Very high93.9Very high103 Ų10350.9 Ų50.945%0.44825%0.253SS..Hα-helixtrans-57.8-41.2175.6-73.2172.4-179.6169.80111.8E77 Q84 A85E77-K81 WeakPolarHBondContact O-CG 3.36Å; E77-K81 PolarHBondContact O-N 3.23Å; K81-Q84 PolarHBondContact O-N 3.3Å; K81-A85 WeakPolarHBondContact O-CB 3.16Å; K81-A85 PolarHBondContact O-N 2.95Å
82Y96.9Very high93.8Very high3 Ų348.4 Ų48.41%0.01224%0.241CC..Hα-helixtrans-60.4-49.9175.3175.2-94.5000111.9H44 P57 F59 Q78 L79 E80 Q84 A85 V86H44-Y82 WeakPolarHBondContact CA-OH 3.49Å; H44-Y82 WeakPolarHBondContact CB-OH 3.13Å; H44-Y82 AromaticContact ND1-CE2 3.56Å; H44-Y82 AromaticContact ND1-CZ 3.68Å; H44-Y82 PolarHBondContact ND1-OH 3.09Å; H44-Y82 VanDerWaalsContact ND1-OH 3.15Å; P57-Y82 HydrophobicContact CB-CD2 4.28Å; P57-Y82 HydrophobicContact CG-CD2 3.72Å; P57-Y82 HydrophobicContact CG-CE2 3.75Å; F59-Y82 HydrophobicContact CB-CD2 4.31Å; F59-Y82 HydrophobicContact CB-CE2 4.21Å; F59-Y82 AromaticContact CD2-CD1 3.94Å; F59-Y82 HydrophobicContact CD2-CD1 3.94Å; F59-Y82 AromaticContact CD2-CD2 3.76Å; F59-Y82 HydrophobicContact CD2-CD2 3.76Å; F59-Y82 AromaticContact CD2-CE1 3.85Å; F59-Y82 HydrophobicContact CD2-CE1 3.85Å; F59-Y82 AromaticContact CD2-CE2 3.66Å; F59-Y82 HydrophobicContact CD2-CE2 3.66Å; F59-Y82 AromaticContact CD2-CG 3.9Å; F59-Y82 HydrophobicContact CD2-CG 3.9Å; F59-Y82 AromaticContact CD2-CZ 3.71Å; F59-Y82 HydrophobicContact CE2-CD1 4.08Å; F59-Y82 HydrophobicContact CE2-CE1 4.01Å; F59-Y82 HydrophobicContact CE2-CG 4.42Å; F59-Y82 HydrophobicContact CG-CE2 4.44Å; Q78-Y82 WeakPolarHBondContact O-CB 3.16Å; Q78-Y82 PolarHBondContact O-N 3.07Å; L79-Y82 WeakPolarHBondContact O-CB 3.35Å; L79-Y82 PolarHBondContact O-N 3.03Å; E80-Y82 VanDerWaalsContact C-N 3.28Å; E80-Y82 PolarHBondContact O-N 3Å; Y82-Q84 VanDerWaalsContact C-N 3.34Å; Y82-Q84 PolarHBondContact O-N 2.79Å; Y82-A85 PolarHBondContact O-N 3.33Å; Y82-V86 HydrophobicContact CD1-CG2 4.22Å; Y82-V86 HydrophobicContact CD2-CG2 4.36Å; Y82-V86 HydrophobicContact CE1-CG2 3.75Å; Y82-V86 HydrophobicContact CE2-CG2 3.9Å; Y82-V86 WeakPolarHBondContact O-CG2 3.21Å; Y82-V86 PolarHBondContact O-N 2.93Å
83M95.8Very high93.6Very high1 Ų147.6 Ų47.61%0.00524%0.237CC..Hα-helixtrans-62.2-40.7179.8-71.8-62.9-63.800112.2F3 I25 L40 L43 L79 E80 R87 F98 L102F3-M83 HydrophobicContact CB-CB 4.33Å; F3-M83 HydrophobicContact CD1-CE 3.95Å; F3-M83 HydrophobicContact CE1-CE 3.98Å; I25-M83 HydrophobicContact CD1-CE 4.2Å; L40-M83 HydrophobicContact CD2-SD 3.68Å; L43-M83 HydrophobicContact CD2-SD 4.49Å; L79-M83 VanDerWaalsContact O-CG 3.31Å; L79-M83 WeakPolarHBondContact O-CG 3.45Å; L79-M83 PolarHBondContact O-N 2.69Å; E80-M83 PolarHBondContact O-N 2.87Å; M83-R87 WeakPolarHBondContact O-CB 3.3Å; M83-R87 PolarHBondContact O-N 3.09Å; M83-F98 HydrophobicContact CE-CE2 3.51Å; M83-F98 HydrophobicContact CE-CZ 3.61Å; M83-F98 HydrophobicContact SD-CE2 4.06Å; M83-L102 HydrophobicContact CE-CD2 4.12Å
84Q93.7Very high93.2Very high8 Ų847.5 Ų47.54%0.03725%0.245CC..Hα-helixtrans-62.3-47.2175.1-71.3170.7-4.200111.3F3 E80 K81 Y82 R87 Q88F3-Q84 HydrophobicContact CB-CG 4.26Å; F3-Q84 VanDerWaalsContact O-CG 3.27Å; F3-Q84 WeakPolarHBondContact O-CG 3.47Å; F3-Q84 PolarHBondContact O-NE2 3.35Å; E80-Q84 WeakPolarHBondContact O-CG 3.36Å; E80-Q84 PolarHBondContact O-N 3.31Å; K81-Q84 PolarHBondContact O-N 3.3Å; Y82-Q84 VanDerWaalsContact C-N 3.34Å; Y82-Q84 PolarHBondContact O-N 2.79Å; Q84-R87 PolarHBondContact O-N 2.9Å; Q84-Q88 WeakPolarHBondContact O-CB 3.21Å; Q84-Q88 VanDerWaalsContact O-CG 3.26Å; Q84-Q88 WeakPolarHBondContact O-CG 3.42Å; Q84-Q88 PolarHBondContact O-N 2.57Å
85A93.9Very high93.1Very high36 Ų3643.2 Ų43.230%0.29823%0.226SC..Hα-helixtrans-63.7-44.6179.200000112.4P57 K81 Y82 R87 Q88 D89P57-A85 HydrophobicContact CB-CB 3.69Å; P57-A85 HydrophobicContact CG-CB 3.79Å; K81-A85 WeakPolarHBondContact O-CB 3.16Å; K81-A85 PolarHBondContact O-N 2.95Å; Y82-A85 PolarHBondContact O-N 3.33Å; A85-R87 VanDerWaalsContact C-N 3.31Å; A85-R87 PolarHBondContact O-N 3.25Å; A85-Q88 PolarHBondContact O-N 2.72Å; A85-D89 PolarHBondContact O-N 2.87Å; A85-D89 VanDerWaalsContact O-N 3.09Å
86V94.9Very high93Very high0 Ų047.1 Ų47.10%025%0.245CC..Hα-helixtrans-59.6-42.5175.6170.70000111L47 P57 Y82 L92 G93 F98L47-V86 HydrophobicContact CD1-CG1 4.06Å; P57-V86 HydrophobicContact CG-CG2 3.71Å; Y82-V86 HydrophobicContact CD1-CG2 4.22Å; Y82-V86 HydrophobicContact CD2-CG2 4.36Å; Y82-V86 HydrophobicContact CE1-CG2 3.75Å; Y82-V86 HydrophobicContact CE2-CG2 3.9Å; Y82-V86 WeakPolarHBondContact O-CG2 3.21Å; Y82-V86 PolarHBondContact O-N 2.93Å; V86-L92 HydrophobicContact CG1-CB 4.04Å; V86-G93 VanDerWaalsContact O-CA 3.29Å; V86-G93 WeakPolarHBondContact O-CA 3.46Å; V86-G93 PolarHBondContact O-N 3.21Å; V86-G93 VanDerWaalsContact O-N 3.08Å; V86-F98 HydrophobicContact CB-CE2 4.41Å; V86-F98 HydrophobicContact CG1-CD1 4.38Å; V86-F98 HydrophobicContact CG1-CD2 3.6Å; V86-F98 HydrophobicContact CG1-CE1 4.44Å; V86-F98 HydrophobicContact CG1-CE2 3.67Å; V86-F98 HydrophobicContact CG1-CG 3.98Å; V86-F98 HydrophobicContact CG1-CZ 4.09Å
87R90.4Very high93Very high54 Ų5447.3 Ų47.320%0.20425%0.249CC..Hα-helixtrans-70.1-35179.7-17961.9-173.6-174-0.9113.1F3 M83 Q84 A85 D89 G93 F98F3-R87 HydrophobicContact CD2-CB 3.91Å; F3-R87 HydrophobicContact CD2-CG 3.86Å; F3-R87 HydrophobicContact CE2-CB 3.93Å; F3-R87 HydrophobicContact CE2-CG 3.59Å; M83-R87 WeakPolarHBondContact O-CB 3.3Å; M83-R87 PolarHBondContact O-N 3.09Å; Q84-R87 PolarHBondContact O-N 2.9Å; A85-R87 VanDerWaalsContact C-N 3.31Å; A85-R87 PolarHBondContact O-N 3.25Å; R87-D89 VanDerWaalsContact C-N 3.33Å; R87-G93 PolarHBondContact NH1-O 3.34Å; R87-F98 HydrophobicContact CB-CE1 4.3Å
88Q88.7Confident93Very high130 Ų13044 Ų4461%0.60723%0.233SC*.Hα-helixtrans-74.5-25.4-179-74.8173.1-0.800112.6Q84 A85 P90Q84-Q88 WeakPolarHBondContact O-CB 3.21Å; Q84-Q88 VanDerWaalsContact O-CG 3.26Å; Q84-Q88 WeakPolarHBondContact O-CG 3.42Å; Q84-Q88 PolarHBondContact O-N 2.57Å; A85-Q88 PolarHBondContact O-N 2.72Å; Q88-P90 WeakPolarHBondContact O-CD 3.48Å
89D90.8Very high92.8Very high47 Ų4740.7 Ų40.725%0.25122%0.218SC..SBendtrans-66.3124.5174.1-174.7-77.6000110.9A85 R87 L91 L92 G93A85-D89 PolarHBondContact O-N 2.87Å; A85-D89 VanDerWaalsContact O-N 3.09Å; R87-D89 VanDerWaalsContact C-N 3.33Å; D89-L91 PolarHBondContact O-N 3.11Å; D89-L91 WeakPolarHBondContact OD1-CA 3.12Å; D89-L91 VanDerWaalsContact OD1-CB 3.31Å; D89-L91 WeakPolarHBondContact OD1-CB 3.46Å; D89-L91 PolarHBondContact OD1-N 2.88Å; D89-L92 HydrophobicContact CB-CB 4.05Å; D89-L92 HydrophobicContact CB-CD1 4.23Å; D89-L92 HydrophobicContact CB-CG 4.16Å; D89-L92 PolarHBondContact OD1-N 2.93Å; D89-G93 WeakPolarHBondContact O-CA 3.24Å; D89-G93 PolarHBondContact O-N 3.46Å
90P86.3Confident92.7Very high115 Ų11541.6 Ų41.675%0.74722%0.224SC*.THydrogen-bonded Turntrans-60.8-30.5-176.7-25.434.5000114.4Q88 S94Q88-P90 WeakPolarHBondContact O-CD 3.48Å; P90-S94 PolarHBondContact O-OG 2.95Å
91L89.8Confident92.8Very high93 Ų9341 Ų4149%0.48722%0.222SC..THydrogen-bonded Turntrans-84.3-51.6-178.7-178.466.3000110.5Y51 D89 S95Y51-L91 HydrophobicContact CD1-CD1 4.38Å; Y51-L91 HydrophobicContact CD1-CD2 3.59Å; Y51-L91 HydrophobicContact CD1-CG 3.82Å; Y51-L91 HydrophobicContact CE1-CD1 3.94Å; Y51-L91 HydrophobicContact CE1-CD2 4.01Å; Y51-L91 HydrophobicContact CE1-CG 3.73Å; D89-L91 PolarHBondContact O-N 3.11Å; D89-L91 WeakPolarHBondContact OD1-CA 3.12Å; D89-L91 VanDerWaalsContact OD1-CB 3.31Å; D89-L91 WeakPolarHBondContact OD1-CB 3.46Å; D89-L91 PolarHBondContact OD1-N 2.88Å; L91-S95 PolarHBondContact O-N 3.19Å
92L92.8Very high92.8Very high0 Ų036.1 Ų36.10%020%0.2CC..THydrogen-bonded Turntrans-72.6-40.3-176.7-54179.1000111.8Y51 V55 L56 V86 D89 S94 S95Y51-L92 HydrophobicContact CD1-CD2 4.23Å; Y51-L92 HydrophobicContact CD2-CD2 3.49Å; Y51-L92 VanDerWaalsContact CD2-CD2 3.49Å; Y51-L92 HydrophobicContact CE2-CD2 4.11Å; Y51-L92 HydrophobicContact CG-CD2 3.59Å; V55-L92 HydrophobicContact CG1-CD1 4.35Å; V55-L92 HydrophobicContact CG1-CD2 4.31Å; V55-L92 HydrophobicContact CG1-CG 4.33Å; L56-L92 HydrophobicContact CD2-CD1 4.44Å; L56-L92 HydrophobicContact CG-CD1 4.44Å; V86-L92 HydrophobicContact CG1-CB 4.04Å; D89-L92 HydrophobicContact CB-CB 4.05Å; D89-L92 HydrophobicContact CB-CD1 4.23Å; D89-L92 HydrophobicContact CB-CG 4.16Å; D89-L92 PolarHBondContact OD1-N 2.93Å; L92-S94 PolarHBondContact O-N 3.43Å; L92-S95 VanDerWaalsContact O-CB 3.29Å; L92-S95 WeakPolarHBondContact O-CB 3.44Å; L92-S95 PolarHBondContact O-N 2.85Å; L92-S95 PolarHBondContact O-OG 3.14Å
93G88.6Confident92.8Very high3 Ų337.3 Ų37.33%0.03121%0.205CC..THydrogen-bonded Turntrans-67.1-25.3-175.600000113.7V86 R87 D89V86-G93 VanDerWaalsContact O-CA 3.29Å; V86-G93 WeakPolarHBondContact O-CA 3.46Å; V86-G93 PolarHBondContact O-N 3.21Å; V86-G93 VanDerWaalsContact O-N 3.08Å; R87-G93 PolarHBondContact NH1-O 3.34Å; D89-G93 WeakPolarHBondContact O-CA 3.24Å; D89-G93 PolarHBondContact O-N 3.46Å
94S87.1Confident92.7Very high76 Ų7644.4 Ų44.453%0.53123%0.231SC..THydrogen-bonded Turntrans-98.4-0.5174.364.50000113.5P90 L92 N99P90-S94 PolarHBondContact O-OG 2.95Å; L92-S94 PolarHBondContact O-N 3.43Å; S94-N99 PolarHBondContact O-ND2 2.89Å
95S92.9Very high92.8Very high5 Ų544.1 Ų44.14%0.03523%0.23CC..  trans-65.7142.2-17869.70000112.5Y51 L91 L92 T97 F98 N99Y51-S95 WeakPolarHBondContact OH-CB 3.39Å; L91-S95 PolarHBondContact O-N 3.19Å; L92-S95 VanDerWaalsContact O-CB 3.29Å; L92-S95 WeakPolarHBondContact O-CB 3.44Å; L92-S95 PolarHBondContact O-N 2.85Å; L92-S95 PolarHBondContact O-OG 3.14Å; S95-T97 VanDerWaalsContact C-N 3.26Å; S95-T97 PolarHBondContact O-N 3.43Å; S95-F98 PolarHBondContact O-N 2.78Å; S95-F98 VanDerWaalsContact OG-CB 3.23Å; S95-F98 WeakPolarHBondContact OG-CB 3.43Å; S95-F98 PolarHBondContact OG-N 3.1Å; S95-N99 PolarHBondContact O-N 2.94Å; S95-N99 PolarHBondContact O-ND2 3.03Å
96E93.5Very high92.8Very high108 Ų10842.8 Ų42.851%0.50522%0.218SC..Hα-helixtrans-64.1-34.7174.5173.853.2-162.800111.2F98 N99 S100 R103E96-F98 PolarHBondContact O-N 3.19Å; E96-N99 PolarHBondContact O-N 3.38Å; E96-S100 WeakPolarHBondContact O-CA 3.22Å; E96-S100 WeakPolarHBondContact O-CB 3.38Å; E96-S100 PolarHBondContact O-N 2.58Å; E96-R103 IonicContact OE1-CZ 2.8Å; E96-R103 IonicContact OE1-NH2 3.26Å; E96-R103 PolarHBondContact OE1-NH2 2.93Å; E96-R103 IonicContact OE2-CZ 3.86Å; E96-R103 IonicContact OE2-NH1 3Å; E96-R103 IonicContact OE2-NH2 3.3Å; E96-R103 PolarHBondContact OE2-NH2 3.4Å
97T95.2Very high92.7Very high28 Ų2844.4 Ų44.417%0.17223%0.226CC..Hα-helixtrans-57.3-46.4175-64.50000112L43 Q46 L47 E50 S95 F101L43-T97 HydrophobicContact CD1-CG2 4.23Å; Q46-T97 HydrophobicContact CB-CG2 3.85Å; L47-T97 HydrophobicContact CD2-CG2 3.76Å; L47-T97 HydrophobicContact CG-CG2 4.16Å; E50-T97 WeakPolarHBondContact OE2-CB 3.39Å; E50-T97 PolarHBondContact OE2-OG1 3.28Å; S95-T97 VanDerWaalsContact C-N 3.26Å; S95-T97 PolarHBondContact O-N 3.43Å; T97-F101 WeakPolarHBondContact O-CB 3.28Å; T97-F101 PolarHBondContact O-N 3.45Å
98F95.7Very high92.8Very high0 Ų047.2 Ų47.20%024%0.241CC..Hα-helixtrans-70.4-47.3178.4-175.7-115.7000112.6F3 L43 M83 V86 R87 S95 E96 S100 F101 L102F3-F98 HydrophobicContact CE1-CZ 4.44Å; F3-F98 HydrophobicContact CZ-CE1 4.31Å; F3-F98 HydrophobicContact CZ-CZ 4.25Å; L43-F98 HydrophobicContact CD1-CD2 4.28Å; L43-F98 HydrophobicContact CD2-CD2 3.84Å; L43-F98 HydrophobicContact CD2-CE2 4.05Å; M83-F98 HydrophobicContact CE-CE2 3.51Å; M83-F98 HydrophobicContact CE-CZ 3.61Å; M83-F98 HydrophobicContact SD-CE2 4.06Å; V86-F98 HydrophobicContact CB-CE2 4.41Å; V86-F98 HydrophobicContact CG1-CD1 4.38Å; V86-F98 HydrophobicContact CG1-CD2 3.6Å; V86-F98 HydrophobicContact CG1-CE1 4.44Å; V86-F98 HydrophobicContact CG1-CE2 3.67Å; V86-F98 HydrophobicContact CG1-CG 3.98Å; V86-F98 HydrophobicContact CG1-CZ 4.09Å; R87-F98 HydrophobicContact CB-CE1 4.3Å; S95-F98 PolarHBondContact O-N 2.78Å; S95-F98 VanDerWaalsContact OG-CB 3.23Å; S95-F98 WeakPolarHBondContact OG-CB 3.43Å; S95-F98 PolarHBondContact OG-N 3.1Å; E96-F98 PolarHBondContact O-N 3.19Å; F98-S100 PolarHBondContact O-N 3.37Å; F98-F101 WeakPolarHBondContact O-CB 3.36Å; F98-F101 PolarHBondContact O-N 3.47Å; F98-L102 HydrophobicContact CD1-CD1 4.13Å; F98-L102 HydrophobicContact CE1-CD1 3.68Å; F98-L102 HydrophobicContact CZ-CD1 3.94Å; F98-L102 HydrophobicContact CZ-CG 4.46Å; F98-L102 PolarHBondContact O-N 3.11Å; F98-L102 VanDerWaalsContact O-N 3.13Å
99N94.6Very high93Very high6 Ų641.9 Ų41.93%0.03222%0.217CC..Hα-helixtrans-67-37.7-178.4-69.7-49.3000112.1S94 S95 E96 L102 R103 F182S94-N99 PolarHBondContact O-ND2 2.89Å; S95-N99 PolarHBondContact O-N 2.94Å; S95-N99 PolarHBondContact O-ND2 3.03Å; E96-N99 PolarHBondContact O-N 3.38Å; N99-L102 PolarHBondContact O-N 3.33Å; N99-R103 PolarHBondContact O-N 2.81Å; N99-F182 HydrophobicContact CB-CB 3.92Å
100S94.9Very high93Very high19 Ų1942.2 Ų42.213%0.13322%0.217CC..Hα-helixtrans-64.9-39.7175-167.10000112.2E96 F98 L102 R103 R104E96-S100 WeakPolarHBondContact O-CA 3.22Å; E96-S100 WeakPolarHBondContact O-CB 3.38Å; E96-S100 PolarHBondContact O-N 2.58Å; F98-S100 PolarHBondContact O-N 3.37Å; S100-L102 VanDerWaalsContact C-N 3.35Å; S100-L102 PolarHBondContact O-N 2.98Å; S100-R103 PolarHBondContact O-N 2.8Å; S100-R104 WeakPolarHBondContact O-CG 3.18Å; S100-R104 PolarHBondContact O-N 3.45Å
101F96.8Very high93.2Very high27 Ų2743.7 Ų43.712%0.11821%0.214CC..Hα-helixtrans-58.1-47.2171.6171.4-91.9000111.6V35 Q39 L40 L43 T97 F98 R103 R104 A105V35-F101 HydrophobicContact CG1-CE1 4.49Å; V35-F101 HydrophobicContact CG1-CZ 3.98Å; Q39-F101 HydrophobicContact CB-CE2 4.13Å; Q39-F101 HydrophobicContact CB-CZ 4.44Å; L40-F101 HydrophobicContact CD2-CE1 3.87Å; L40-F101 HydrophobicContact CD2-CZ 3.74Å; L40-F101 HydrophobicContact CG-CZ 4.39Å; L43-F101 HydrophobicContact CB-CD2 3.92Å; L43-F101 HydrophobicContact CB-CE2 4.09Å; L43-F101 HydrophobicContact CB-CG 4.21Å; L43-F101 HydrophobicContact CD1-CB 3.92Å; L43-F101 HydrophobicContact CD1-CG 4.12Å; L43-F101 HydrophobicContact CD2-CD1 3.69Å; L43-F101 HydrophobicContact CD2-CD2 4.42Å; L43-F101 HydrophobicContact CD2-CE1 3.93Å; L43-F101 HydrophobicContact CD2-CG 3.96Å; L43-F101 HydrophobicContact CD2-CZ 4.39Å; L43-F101 HydrophobicContact CG-CG 4.31Å; T97-F101 WeakPolarHBondContact O-CB 3.28Å; T97-F101 PolarHBondContact O-N 3.45Å; F98-F101 WeakPolarHBondContact O-CB 3.36Å; F98-F101 PolarHBondContact O-N 3.47Å; F101-R103 PolarHBondContact O-N 3.25Å; F101-R104 PolarHBondContact O-N 2.93Å; F101-A105 VanDerWaalsContact O-CB 3.24Å; F101-A105 WeakPolarHBondContact O-CB 3.44Å; F101-A105 PolarHBondContact O-N 3.35Å
102L96.4Very high93.2Very high0 Ų040.6 Ų40.60%020%0.199CC..Hα-helixtrans-63.6-40179.7-69.4176.1000112.7F3 H32 M83 F98 N99 S100 Q106 F182F3-L102 HydrophobicContact CE1-CD1 3.98Å; F3-L102 HydrophobicContact CE1-CD2 3.92Å; F3-L102 HydrophobicContact CZ-CD1 3.67Å; F3-L102 HydrophobicContact CZ-CD2 4.46Å; H32-L102 PolarHBondContact NE2-O 2.87Å; M83-L102 HydrophobicContact CE-CD2 4.12Å; F98-L102 HydrophobicContact CD1-CD1 4.13Å; F98-L102 HydrophobicContact CE1-CD1 3.68Å; F98-L102 HydrophobicContact CZ-CD1 3.94Å; F98-L102 HydrophobicContact CZ-CG 4.46Å; F98-L102 PolarHBondContact O-N 3.11Å; F98-L102 VanDerWaalsContact O-N 3.13Å; N99-L102 PolarHBondContact O-N 3.33Å; S100-L102 VanDerWaalsContact C-N 3.35Å; S100-L102 PolarHBondContact O-N 2.98Å; L102-Q106 WeakPolarHBondContact O-CB 3.48Å; L102-Q106 PolarHBondContact O-N 3Å; L102-F182 HydrophobicContact CB-CB 4.05Å; L102-F182 HydrophobicContact CB-CD2 3.89Å; L102-F182 HydrophobicContact CB-CG 4.13Å; L102-F182 HydrophobicContact CD1-CB 4.22Å; L102-F182 HydrophobicContact CD1-CD1 3.95Å; L102-F182 HydrophobicContact CD1-CD2 3.8Å; L102-F182 HydrophobicContact CD1-CE1 4.22Å; L102-F182 HydrophobicContact CD1-CE2 4.11Å; L102-F182 HydrophobicContact CD1-CG 3.72Å; L102-F182 HydrophobicContact CD1-CZ 4.3Å; L102-F182 HydrophobicContact CG-CD2 4.47Å
103R94.9Very high93.2Very high27 Ų2744.6 Ų44.610%0.10223%0.225CC..Hα-helixtrans-62.1-51.3175.1-75.7-172.8-58.8-95.4-1.4111.7E96 N99 S100 F101 A105 Q106 Q107 F182 L184E96-R103 IonicContact OE1-CZ 2.8Å; E96-R103 IonicContact OE1-NH2 3.26Å; E96-R103 PolarHBondContact OE1-NH2 2.93Å; E96-R103 IonicContact OE2-CZ 3.86Å; E96-R103 IonicContact OE2-NH1 3Å; E96-R103 IonicContact OE2-NH2 3.3Å; E96-R103 PolarHBondContact OE2-NH2 3.4Å; N99-R103 PolarHBondContact O-N 2.81Å; S100-R103 PolarHBondContact O-N 2.8Å; F101-R103 PolarHBondContact O-N 3.25Å; R103-A105 PolarHBondContact O-N 3.47Å; R103-Q106 WeakPolarHBondContact O-CB 3.48Å; R103-Q106 PolarHBondContact O-N 3.19Å; R103-Q107 PolarHBondContact O-N 3.25Å; R103-F182 HydrophobicContact CG-CB 4.48Å; R103-F182 WeakPolarHBondContact CG-O 3.39Å; R103-L184 HydrophobicContact CB-CD2 4.15Å; R103-L184 HydrophobicContact CB-CG 4.46Å; R103-L184 HydrophobicContact CG-CD2 3.93Å; R103-L184 HydrophobicContact CG-CG 4.43Å
104R94.1Very high93.5Very high150 Ų15048.1 Ų48.157%0.56625%0.246SC*.Hα-helixtrans-60.6-45.7179.2-70175.6-174172.53.5111.4S100 F101 Q106 Q107 E108S100-R104 WeakPolarHBondContact O-CG 3.18Å; S100-R104 PolarHBondContact O-N 3.45Å; F101-R104 PolarHBondContact O-N 2.93Å; R104-Q106 VanDerWaalsContact C-N 3.32Å; R104-Q106 PolarHBondContact O-N 3.34Å; R104-Q107 PolarHBondContact O-N 3.08Å; R104-E108 WeakPolarHBondContact O-CB 3.31Å; R104-E108 WeakPolarHBondContact O-CG 3.38Å; R104-E108 PolarHBondContact O-N 3.1Å
105A95.6Very high94Very high2 Ų249.1 Ų49.12%0.01724%0.242CC..Hα-helixtrans-62.8-37.7178.100000112.2C33 V35 F101 R103 T109C33-A105 VanDerWaalsContact CB-C 3.48Å; C33-A105 HydrophobicContact CB-CB 3.62Å; C33-A105 WeakPolarHBondContact CB-O 3.41Å; V35-A105 HydrophobicContact CG1-CB 3.77Å; F101-A105 VanDerWaalsContact O-CB 3.24Å; F101-A105 WeakPolarHBondContact O-CB 3.44Å; F101-A105 PolarHBondContact O-N 3.35Å; R103-A105 PolarHBondContact O-N 3.47Å; A105-T109 VanDerWaalsContact O-CB 3.29Å; A105-T109 WeakPolarHBondContact O-CB 3.3Å; A105-T109 PolarHBondContact O-N 3.04Å; A105-T109 PolarHBondContact O-OG1 3.3Å
106Q95.6Very high94.2Very high8 Ų855.5 Ų55.54%0.03727%0.272CS..Hα-helixtrans-62.2-48174-170.4-178.931.900111H32 L102 R103 R104 T109 Q110 V187 S188H32-Q106 VanDerWaalsContact CE1-CD 3.44Å; L102-Q106 WeakPolarHBondContact O-CB 3.48Å; L102-Q106 PolarHBondContact O-N 3Å; R103-Q106 WeakPolarHBondContact O-CB 3.48Å; R103-Q106 PolarHBondContact O-N 3.19Å; R104-Q106 VanDerWaalsContact C-N 3.32Å; R104-Q106 PolarHBondContact O-N 3.34Å; Q106-T109 PolarHBondContact O-N 2.86Å; Q106-Q110 PolarHBondContact O-N 3.06Å; Q106-V187 HydrophobicContact CG-CG1 4.07Å; Q106-S188 PolarHBondContact NE2-OG 2.85Å
107Q92.1Very high94.4Very high35 Ų3551.2 Ų51.216%0.16425%0.253CS..Hα-helixtrans-62.4-47.1179.8-167.6174.116.500112.1R103 R104 T109 Q110 Q111 V112 T114 L184R103-Q107 PolarHBondContact O-N 3.25Å; R104-Q107 PolarHBondContact O-N 3.08Å; Q107-T109 VanDerWaalsContact C-N 3.34Å; Q107-T109 PolarHBondContact O-N 3.42Å; Q107-Q110 PolarHBondContact O-N 2.96Å; Q107-Q111 PolarHBondContact O-N 2.92Å; Q107-V112 WeakPolarHBondContact CG-O 3.45Å; Q107-V112 PolarHBondContact NE2-O 3.42Å; Q107-V112 PolarHBondContact O-N 3.12Å; Q107-T114 PolarHBondContact NE2-OG1 3.26Å; Q107-T114 VanDerWaalsContact NE2-OG1 3.14Å; Q107-L184 HydrophobicContact CB-CD1 3.83Å; Q107-L184 HydrophobicContact CG-CD1 4.39Å
108E92.4Very high94.6Very high112 Ų11253 Ų5352%0.52327%0.266SS..Hα-helixtrans-60-42.9176.3-75174.6-166.400111.8Q39 R104 Q110 Q111Q39-E108 PolarHBondContact NE2-OE2 2.82Å; R104-E108 WeakPolarHBondContact O-CB 3.31Å; R104-E108 WeakPolarHBondContact O-CG 3.38Å; R104-E108 PolarHBondContact O-N 3.1Å; E108-Q110 VanDerWaalsContact C-N 3.27Å; E108-Q110 PolarHBondContact O-N 3.44Å; E108-Q111 PolarHBondContact O-N 3.45Å; E108-Q111 VanDerWaalsContact O-N 3.15Å
109T92.9Very high94.7Very high18 Ų1853.5 Ų53.511%0.1127%0.269CS..Hα-helixtrans-61.5-37.4-179.3-62.50000112.2C33 R34 A105 Q106 Q107C33-T109 VanDerWaalsContact CA-OG1 3.31Å; C33-T109 WeakPolarHBondContact CA-OG1 3.45Å; C33-T109 WeakPolarHBondContact CB-OG1 3.49Å; R34-T109 HydrophobicContact CB-CG2 4.11Å; R34-T109 HydrophobicContact CG-CG2 3.81Å; R34-T109 PolarHBondContact N-OG1 2.81Å; A105-T109 VanDerWaalsContact O-CB 3.29Å; A105-T109 WeakPolarHBondContact O-CB 3.3Å; A105-T109 PolarHBondContact O-N 3.04Å; A105-T109 PolarHBondContact O-OG1 3.3Å; Q106-T109 PolarHBondContact O-N 2.86Å; Q107-T109 VanDerWaalsContact C-N 3.34Å; Q107-T109 PolarHBondContact O-N 3.42Å
110Q90.8Very high94.9Very high54 Ų5456 Ų5625%0.25228%0.281SS..Hα-helixtrans-92.5-5.1-179.6-58.1-59.6-32.500112.8Q106 Q107 E108 V112 V187Q106-Q110 PolarHBondContact O-N 3.06Å; Q107-Q110 PolarHBondContact O-N 2.96Å; E108-Q110 VanDerWaalsContact C-N 3.27Å; E108-Q110 PolarHBondContact O-N 3.44Å; Q110-V112 HydrophobicContact CB-CG2 3.83Å; Q110-V112 PolarHBondContact O-N 3.32Å; Q110-V187 HydrophobicContact CB-CG1 3.76Å; Q110-V187 HydrophobicContact CG-CG1 3.48Å; Q110-V187 VanDerWaalsContact CG-CG1 3.48Å
111Q91.4Very high95.1Very high147 Ų14755.1 Ų55.169%0.68727%0.274SS*.THydrogen-bonded Turntrans54.937.6-178.7-58.1179.9-22.100113Q107 E108 P113Q107-Q111 PolarHBondContact O-N 2.92Å; E108-Q111 PolarHBondContact O-N 3.45Å; E108-Q111 VanDerWaalsContact O-N 3.15Å; Q111-P113 WeakPolarHBondContact O-CD 3.46Å
112V89.9Confident95.1Very high28 Ų2854 Ų5417%0.1727%0.27CS..  trans-93.3114.1-178.3178.60000109.4Q107 Q110 T135 Y186 V187Q107-V112 WeakPolarHBondContact CG-O 3.45Å; Q107-V112 PolarHBondContact NE2-O 3.42Å; Q107-V112 PolarHBondContact O-N 3.12Å; Q110-V112 HydrophobicContact CB-CG2 3.83Å; Q110-V112 PolarHBondContact O-N 3.32Å; V112-T135 HydrophobicContact CG1-CG2 4.06Å; V112-Y186 HydrophobicContact CG1-CD1 4.4Å; V112-Y186 HydrophobicContact CG1-CE1 4.2Å; V112-V187 HydrophobicContact CB-CG2 4.24Å; V112-V187 HydrophobicContact CG1-CG2 4.25Å; V112-V187 HydrophobicContact CG2-CG2 4.35Å
113P92.5Very high95.2Very high83 Ų8354.5 Ų54.554%0.53927%0.272SS..  trans-68.4157.6175.530.7-35000110.9Q111 E115 T135Q111-P113 WeakPolarHBondContact O-CD 3.46Å; P113-E115 PolarHBondContact O-N 3.5Å; P113-T135 PolarHBondContact O-OG1 3.32Å
114T95.1Very high95.1Very high77 Ų7753.6 Ų53.647%0.47227%0.27SS..  trans-72.7114.2171.1-64.80000109.7Q107 L134 T135 S136Q107-T114 PolarHBondContact NE2-OG1 3.26Å; Q107-T114 VanDerWaalsContact NE2-OG1 3.14Å; T114-L134 HydrophobicContact CG2-CD1 4.38Å; T114-T135 VanDerWaalsContact CA-OG1 3.29Å; T114-T135 WeakPolarHBondContact CA-OG1 3.44Å; T114-S136 WeakPolarHBondContact CG2-OG 3.39Å; T114-S136 WeakPolarHBondContact OG1-CB 3.49Å; T114-S136 PolarHBondContact OG1-OG 3.31Å; T114-S136 VanDerWaalsContact OG1-OG 3.08Å
115E96.3Very high94.8Very high97 Ų9749.7 Ų49.745%0.45326%0.26SS..  trans-148.8158.3177.762.4-177.1179.500110.8P113 V117 L134 T135P113-E115 PolarHBondContact O-N 3.5Å; E115-V117 HydrophobicContact CG-CG1 4Å; E115-L134 CarbonylContact O-C 3.55Å; E115-L134 VanDerWaalsContact O-CA 3.3Å; E115-L134 WeakPolarHBondContact O-CA 3.49Å; E115-T135 HydrophobicContact CG-CG2 3.58Å; E115-T135 PolarHBondContact N-OG1 3.14Å; E115-T135 VanDerWaalsContact N-OG1 3.09Å; E115-T135 PolarHBondContact O-N 3.22Å
116E97.9Very high94.7Very high139 Ų13951.1 Ų51.165%0.6528%0.275SS*.EExtended strand (participates in β ladder)trans-78.7130.2175.2-170178.9171.300110.1V133 L134E116-V133 WeakPolarHBondContact CA-O 3.06Å; E116-L134 HydrophobicContact CB-CD2 4.28Å
117V97.9Very high94.7Very high19 Ų1955.9 Ų55.912%0.11530%0.297CS..EExtended strand (participates in β ladder)trans-136.5153.4-176-66.10000110.8E115 N132 V133 T135 Y186E115-V117 HydrophobicContact CG-CG1 4Å; V117-N132 WeakPolarHBondContact O-CA 3.46Å; V117-V133 HydrophobicContact CG2-CG2 3.99Å; V117-V133 WeakPolarHBondContact CG2-O 3.47Å; V117-V133 PolarHBondContact N-O 3.37Å; V117-V133 PolarHBondContact O-N 3.23Å; V117-T135 HydrophobicContact CB-CG2 4.38Å; V117-T135 HydrophobicContact CG1-CG2 3.5Å; V117-T135 HydrophobicContact CG2-CG2 3.93Å; V117-Y186 HydrophobicContact CB-CD2 4.28Å; V117-Y186 HydrophobicContact CB-CE2 3.89Å; V117-Y186 HydrophobicContact CG1-CE2 4Å; V117-Y186 HydrophobicContact CG2-CD2 3.57Å; V117-Y186 HydrophobicContact CG2-CE2 3.7Å; V117-Y186 HydrophobicContact CG2-CG 4.09Å
118S98Very high95Very high65 Ų6560.4 Ų60.446%0.45532%0.317SS..EExtended strand (participates in β ladder)trans-91.7112.4170.4-153.90000109.5L130 I131S118-L130 WeakPolarHBondContact OG-CD1 3.14Å; S118-L130 WeakPolarHBondContact OG-CD2 3.49Å; S118-L130 WeakPolarHBondContact OG-CG 3.43Å; S118-I131 CarbonylContact C-O 3.56Å; S118-I131 WeakPolarHBondContact CA-O 3.41Å
119L98.4Very high95.3Very high10 Ų1055.4 Ų55.45%0.05229%0.294CS..EExtended strand (participates in β ladder)trans-103.5127.4-179.5-17962.2000110.3V121 I131 V133 V142 P185 Y186 V189L119-V121 HydrophobicContact CG-CG2 4.46Å; L119-I131 HydrophobicContact CB-CG1 4.23Å; L119-I131 PolarHBondContact N-O 2.75Å; L119-I131 WeakPolarHBondContact O-CG1 3.35Å; L119-I131 PolarHBondContact O-N 2.91Å; L119-I131 VanDerWaalsContact O-N 3.09Å; L119-V133 HydrophobicContact CB-CG2 3.71Å; L119-V133 HydrophobicContact CD2-CG2 4.1Å; L119-V142 HydrophobicContact CD2-CG1 3.8Å; L119-V142 HydrophobicContact CD2-CG2 4.49Å; L119-P185 HydrophobicContact CD2-CB 4.37Å; L119-Y186 HydrophobicContact CD1-CD2 4.31Å; L119-V189 HydrophobicContact CD1-CG1 4.37Å
120E98.5Very high95.6Very high59 Ų5959 Ų5928%0.27631%0.312SS..EExtended strand (participates in β ladder)trans-88.2120.9173.5-178.4174.999.200110.2L122 K128 L130E120-L122 HydrophobicContact CG-CD2 4Å; E120-K128 VanDerWaalsContact CD-NZ 3.34Å; E120-K128 HydrophobicContact CG-CB 4.35Å; E120-K128 HydrophobicContact CG-CG 4.18Å; E120-K128 IonicContact OE1-NZ 2.65Å; E120-K128 PolarHBondContact OE1-NZ 2.86Å; E120-K128 WeakPolarHBondContact OE2-CD 3.44Å; E120-K128 WeakPolarHBondContact OE2-CE 3.35Å; E120-K128 IonicContact OE2-NZ 3.6Å; E120-K128 PolarHBondContact OE2-NZ 2.79Å; E120-L130 HydrophobicContact CB-CD1 4.25Å
121V98.7Very high95.9Very high0 Ų056.8 Ų56.80%030%0.302CS..EExtended strand (participates in β ladder)trans-113.4130.7169.8178.90000108.8L119 V129 I131 V146 L162 I199 L201L119-V121 HydrophobicContact CG-CG2 4.46Å; V121-V129 PolarHBondContact N-O 2.92Å; V121-V129 WeakPolarHBondContact O-CA 3.39Å; V121-V129 WeakPolarHBondContact O-CB 3.45Å; V121-V129 PolarHBondContact O-N 2.95Å; V121-I131 HydrophobicContact CG2-CD1 4.24Å; V121-V146 HydrophobicContact CB-CG2 3.97Å; V121-V146 HydrophobicContact CG1-CG2 4.07Å; V121-V146 HydrophobicContact CG2-CG2 3.73Å; V121-L162 HydrophobicContact CG1-CD2 4.02Å; V121-I199 HydrophobicContact CG1-CG2 4.18Å; V121-I199 HydrophobicContact CG2-CB 4.28Å; V121-I199 HydrophobicContact CG2-CG2 4.01Å; V121-L201 HydrophobicContact CG1-CB 4.14Å
122L98.5Very high96.3Very high4 Ų454.9 Ų54.92%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-93.6141.9178.7-56.6-175.8000110.8E120 Q127 K128 F173 K198 I199 V200 L201E120-L122 HydrophobicContact CG-CD2 4Å; L122-Q127 CarbonylContact C-O 3.56Å; L122-Q127 WeakPolarHBondContact CA-O 3.19Å; L122-K128 HydrophobicContact CD2-CB 4.32Å; L122-K128 HydrophobicContact CD2-CG 3.54Å; L122-F173 HydrophobicContact CB-CZ 4.48Å; L122-F173 HydrophobicContact CD1-CE1 4Å; L122-F173 HydrophobicContact CD1-CZ 3.8Å; L122-K198 HydrophobicContact CD1-CB 3.86Å; L122-K198 HydrophobicContact CD1-CD 4.21Å; L122-K198 HydrophobicContact CD1-CG 3.78Å; L122-K198 HydrophobicContact CG-CB 4.42Å; L122-I199 PolarHBondContact N-O 3.33Å; L122-V200 HydrophobicContact CB-CG2 4.1Å; L122-V200 CarbonylContact O-C 3.46Å; L122-V200 VanDerWaalsContact O-CA 3.22Å; L122-V200 WeakPolarHBondContact O-CA 3.26Å; L122-L201 PolarHBondContact O-N 2.78Å
123L97.5Very high96.7Very high11 Ų1153.8 Ų53.86%0.05829%0.29CS..EExtended strand (participates in β ladder)trans-76.3164.8160.4-56.8-172000109.5N125 G126 Q127 V129 L150 L201 L223L123-N125 WeakPolarHBondContact CB-OD1 3.44Å; L123-N125 PolarHBondContact O-N 2.77Å; L123-G126 PolarHBondContact O-N 3.06Å; L123-Q127 HydrophobicContact CB-CB 4.25Å; L123-Q127 HydrophobicContact CD1-CB 4.11Å; L123-Q127 HydrophobicContact CD1-CG 4.33Å; L123-Q127 HydrophobicContact CG-CB 4.27Å; L123-Q127 PolarHBondContact N-O 2.65Å; L123-V129 HydrophobicContact CD2-CG2 3.97Å; L123-V129 HydrophobicContact CG-CG2 4.06Å; L123-L150 HydrophobicContact CD2-CD1 4.17Å; L123-L201 HydrophobicContact CD2-CB 4.19Å; L123-L201 HydrophobicContact CD2-CD2 3.87Å; L123-L223 HydrophobicContact CD1-CD2 3.99Å; L123-L223 HydrophobicContact CD2-CD2 3.91Å
124S91.9Very high96.9Very high8 Ų851.7 Ų51.76%0.05627%0.273CS..THydrogen-bonded Turntrans-59.7-22.6-178.5-70.20000114.2S230S124-S230 PolarHBondContact O-OG 3.05Å
125N88.9Confident97Very high68 Ų6848 Ų4836%0.36425%0.251SS..THydrogen-bonded Turntrans-895.4174.669.3-9.2000114L123 Q127L123-N125 WeakPolarHBondContact CB-OD1 3.44Å; L123-N125 PolarHBondContact O-N 2.77Å; N125-Q127 VanDerWaalsContact OD1-CB 3.3Å; N125-Q127 WeakPolarHBondContact OD1-CB 3.29Å; N125-Q127 PolarHBondContact OD1-N 2.68Å; N125-Q127 VanDerWaalsContact OD1-N 3.08Å
126G93.5Very high97Very high32 Ų3244.2 Ų44.233%0.3324%0.235SC..SBendtrans85.7-1.3-179.100000115.3L123 K128L123-G126 PolarHBondContact O-N 3.06Å; G126-K128 PolarHBondContact O-N 2.8Å
127Q96.5Very high97Very high107 Ų10738.8 Ų38.850%0.521%0.211SC..  trans-61.9132.3173.7-179.8-178.8-29.200110.5L122 L123 N125L122-Q127 CarbonylContact C-O 3.56Å; L122-Q127 WeakPolarHBondContact CA-O 3.19Å; L123-Q127 HydrophobicContact CB-CB 4.25Å; L123-Q127 HydrophobicContact CD1-CB 4.11Å; L123-Q127 HydrophobicContact CD1-CG 4.33Å; L123-Q127 HydrophobicContact CG-CB 4.27Å; L123-Q127 PolarHBondContact N-O 2.65Å; N125-Q127 VanDerWaalsContact OD1-CB 3.3Å; N125-Q127 WeakPolarHBondContact OD1-CB 3.29Å; N125-Q127 PolarHBondContact OD1-N 2.68Å; N125-Q127 VanDerWaalsContact OD1-N 3.08Å
128K97.9Very high96.9Very high131 Ų13139.1 Ų39.157%0.5721%0.211SC*.EExtended strand (participates in β ladder)trans-85.8134-178.2-65.5166.2173-120.20111.5E120 L122 G126E120-K128 VanDerWaalsContact CD-NZ 3.34Å; E120-K128 HydrophobicContact CG-CB 4.35Å; E120-K128 HydrophobicContact CG-CG 4.18Å; E120-K128 IonicContact OE1-NZ 2.65Å; E120-K128 PolarHBondContact OE1-NZ 2.86Å; E120-K128 WeakPolarHBondContact OE2-CD 3.44Å; E120-K128 WeakPolarHBondContact OE2-CE 3.35Å; E120-K128 IonicContact OE2-NZ 3.6Å; E120-K128 PolarHBondContact OE2-NZ 2.79Å; L122-K128 HydrophobicContact CD2-CB 4.32Å; L122-K128 HydrophobicContact CD2-CG 3.54Å; G126-K128 PolarHBondContact O-N 2.8Å
129V98.4Very high96.9Very high6 Ų636.5 Ų36.54%0.03619%0.192CC..EExtended strand (participates in β ladder)trans-119111170.1-172.60000107V121 L123 I131 V146 K149 L150V121-V129 PolarHBondContact N-O 2.92Å; V121-V129 WeakPolarHBondContact O-CA 3.39Å; V121-V129 WeakPolarHBondContact O-CB 3.45Å; V121-V129 PolarHBondContact O-N 2.95Å; L123-V129 HydrophobicContact CD2-CG2 3.97Å; L123-V129 HydrophobicContact CG-CG2 4.06Å; V129-I131 HydrophobicContact CG1-CG2 4.24Å; V129-V146 HydrophobicContact CG1-CG1 4.42Å; V129-K149 HydrophobicContact CG1-CB 4.05Å; V129-K149 HydrophobicContact CG1-CG 3.61Å; V129-L150 HydrophobicContact CG1-CD2 4.39Å; V129-L150 HydrophobicContact CG1-CG 4.39Å; V129-L150 HydrophobicContact CG2-CD2 3.91Å; V129-L150 HydrophobicContact CG2-CG 4.45Å
130L98.4Very high96.8Very high94 Ų9436.9 Ų36.949%0.49219%0.194SC..EExtended strand (participates in β ladder)trans-97.6123.1179.9-163.771.5000109.5S118 E120 K149S118-L130 WeakPolarHBondContact OG-CD1 3.14Å; S118-L130 WeakPolarHBondContact OG-CD2 3.49Å; S118-L130 WeakPolarHBondContact OG-CG 3.43Å; E120-L130 HydrophobicContact CB-CD1 4.25Å; L130-K149 WeakPolarHBondContact O-CE 3.16Å
131I98.5Very high96.7Very high8 Ų836.2 Ų36.24%0.04119%0.192CC..EExtended strand (participates in β ladder)trans-126.8150-178.654.8171.4000110.5S118 L119 V121 V129 V133 V142 A145 V146 K149S118-I131 CarbonylContact C-O 3.56Å; S118-I131 WeakPolarHBondContact CA-O 3.41Å; L119-I131 HydrophobicContact CB-CG1 4.23Å; L119-I131 PolarHBondContact N-O 2.75Å; L119-I131 WeakPolarHBondContact O-CG1 3.35Å; L119-I131 PolarHBondContact O-N 2.91Å; L119-I131 VanDerWaalsContact O-N 3.09Å; V121-I131 HydrophobicContact CG2-CD1 4.24Å; V129-I131 HydrophobicContact CG1-CG2 4.24Å; I131-V133 HydrophobicContact CD1-CG1 3.72Å; I131-V133 HydrophobicContact CG1-CG1 4.08Å; I131-V142 HydrophobicContact CD1-CG1 3.75Å; I131-A145 HydrophobicContact CB-CB 4.46Å; I131-A145 HydrophobicContact CD1-CB 4Å; I131-V146 HydrophobicContact CD1-CG2 3.59Å; I131-V146 HydrophobicContact CG2-CG2 4.5Å; I131-K149 HydrophobicContact CG2-CB 3.81Å; I131-K149 HydrophobicContact CG2-CG 4.03Å
132N98.2Very high96.7Very high107 Ų10736.2 Ų36.257%0.57219%0.192SC*.EExtended strand (participates in β ladder)trans-98.4124.6171.7-66-7.6000108.1V117V117-N132 WeakPolarHBondContact O-CA 3.46Å
133V98.3Very high96.7Very high5 Ų536.5 Ų36.53%0.0319%0.193CC..EExtended strand (participates in β ladder)trans-141.3165.8-175.9-66.20000109.2E116 V117 L119 I131 D137 V142 A145E116-V133 WeakPolarHBondContact CA-O 3.06Å; V117-V133 HydrophobicContact CG2-CG2 3.99Å; V117-V133 WeakPolarHBondContact CG2-O 3.47Å; V117-V133 PolarHBondContact N-O 3.37Å; V117-V133 PolarHBondContact O-N 3.23Å; L119-V133 HydrophobicContact CB-CG2 3.71Å; L119-V133 HydrophobicContact CD2-CG2 4.1Å; I131-V133 HydrophobicContact CD1-CG1 3.72Å; I131-V133 HydrophobicContact CG1-CG1 4.08Å; V133-D137 WeakPolarHBondContact CA-OD2 3.39Å; V133-D137 HydrophobicContact CB-CB 4.42Å; V133-D137 VanDerWaalsContact CB-OD2 3.31Å; V133-D137 WeakPolarHBondContact CB-OD2 3.33Å; V133-V142 HydrophobicContact CG1-CG2 4.26Å; V133-A145 HydrophobicContact CG1-CB 4.03Å
134L98.3Very high96.8Very high38 Ų3839.2 Ų39.220%0.19921%0.206CC..EExtended strand (participates in β ladder)trans-83148.4166.4-56.6175.6000110.2T114 E115 E116 S136 D137T114-L134 HydrophobicContact CG2-CD1 4.38Å; E115-L134 CarbonylContact O-C 3.55Å; E115-L134 VanDerWaalsContact O-CA 3.3Å; E115-L134 WeakPolarHBondContact O-CA 3.49Å; E116-L134 HydrophobicContact CB-CD2 4.28Å; L134-S136 PolarHBondContact O-N 3.3Å; L134-S136 VanDerWaalsContact O-N 3.09Å; L134-D137 HydrophobicContact CB-CB 4.48Å; L134-D137 WeakPolarHBondContact CB-OD1 3.31Å; L134-D137 PolarHBondContact N-OD2 3.37Å; L134-D137 WeakPolarHBondContact O-CB 3.45Å; L134-D137 PolarHBondContact O-N 3.14Å
135T96.8Very high97.1Very high0 Ų040.2 Ų40.20%022%0.215CC..THydrogen-bonded Turntrans-59.2-19.3170.454.50000113.5V112 P113 T114 E115 V117 Y186V112-T135 HydrophobicContact CG1-CG2 4.06Å; P113-T135 PolarHBondContact O-OG1 3.32Å; T114-T135 VanDerWaalsContact CA-OG1 3.29Å; T114-T135 WeakPolarHBondContact CA-OG1 3.44Å; E115-T135 HydrophobicContact CG-CG2 3.58Å; E115-T135 PolarHBondContact N-OG1 3.14Å; E115-T135 VanDerWaalsContact N-OG1 3.09Å; E115-T135 PolarHBondContact O-N 3.22Å; V117-T135 HydrophobicContact CB-CG2 4.38Å; V117-T135 HydrophobicContact CG1-CG2 3.5Å; V117-T135 HydrophobicContact CG2-CG2 3.93Å; T135-Y186 HydrophobicContact CG2-CD1 3.49Å; T135-Y186 VanDerWaalsContact CG2-CD1 3.49Å; T135-Y186 HydrophobicContact CG2-CE1 3.38Å; T135-Y186 HydrophobicContact CG2-CG 4.15Å
136S96.3Very high97.5Very high17 Ų1737 Ų3712%0.11920%0.197CC..THydrogen-bonded Turntrans-102.54.1177.5540000114.5T114 L134 L184T114-S136 WeakPolarHBondContact CG2-OG 3.39Å; T114-S136 WeakPolarHBondContact OG1-CB 3.49Å; T114-S136 PolarHBondContact OG1-OG 3.31Å; T114-S136 VanDerWaalsContact OG1-OG 3.08Å; L134-S136 PolarHBondContact O-N 3.3Å; L134-S136 VanDerWaalsContact O-N 3.09Å; S136-L184 VanDerWaalsContact O-CD2 3.25Å; S136-L184 WeakPolarHBondContact O-CD2 3.49Å
137D97.6Very high97.8Very high26 Ų2635.6 Ų35.614%0.13918%0.183CC..  trans-64.8135.7171.6-78.2-9.7000109.8V133 L134 D141 V142 L184 P185V133-D137 WeakPolarHBondContact CA-OD2 3.39Å; V133-D137 HydrophobicContact CB-CB 4.42Å; V133-D137 VanDerWaalsContact CB-OD2 3.31Å; V133-D137 WeakPolarHBondContact CB-OD2 3.33Å; L134-D137 HydrophobicContact CB-CB 4.48Å; L134-D137 WeakPolarHBondContact CB-OD1 3.31Å; L134-D137 PolarHBondContact N-OD2 3.37Å; L134-D137 WeakPolarHBondContact O-CB 3.45Å; L134-D137 PolarHBondContact O-N 3.14Å; D137-D141 HydrophobicContact CB-CB 3.92Å; D137-V142 HydrophobicContact CB-CG2 4.02Å; D137-L184 WeakPolarHBondContact O-CD2 3.5Å; D137-P185 VanDerWaalsContact O-CD 3.32Å; D137-P185 WeakPolarHBondContact O-CD 3.43Å
138Q96.7Very high97.8Very high26 Ų2634.3 Ų34.312%0.12119%0.19CC..  trans-81.9174.1179.184.4-159.6-27.300111.3E140 D141 V142 E183Q138-E140 VanDerWaalsContact C-N 3.26Å; Q138-E140 HydrophobicContact CG-CB 4.3Å; Q138-E140 PolarHBondContact O-N 3.25Å; Q138-D141 VanDerWaalsContact CG-OD2 3.29Å; Q138-D141 WeakPolarHBondContact CG-OD2 3.22Å; Q138-D141 PolarHBondContact N-OD2 3.07Å; Q138-D141 PolarHBondContact NE2-OD1 2.9Å; Q138-D141 PolarHBondContact O-N 3.27Å; Q138-V142 WeakPolarHBondContact O-CG2 3.33Å; Q138-V142 PolarHBondContact O-N 3.1Å; Q138-V142 VanDerWaalsContact O-N 3.1Å; Q138-E183 CarbonylContact C-O 3.59Å; Q138-E183 WeakPolarHBondContact CA-O 3.43Å
139T97.4Very high97.9Very high10 Ų1034.6 Ų34.66%0.06119%0.192CC..Hα-helixtrans-56.9-38-176.6-64.80000113.5L143 L162 L179 Q180 E183T139-L143 WeakPolarHBondContact O-CB 3.47Å; T139-L143 PolarHBondContact O-N 2.8Å; T139-L162 HydrophobicContact CG2-CD1 4.35Å; T139-L179 HydrophobicContact CG2-CB 3.77Å; T139-Q180 WeakPolarHBondContact CB-O 3.46Å; T139-Q180 PolarHBondContact OG1-O 2.79Å; T139-E183 PolarHBondContact N-O 3.36Å; T139-E183 PolarHBondContact OG1-O 3.33Å; T139-E183 VanDerWaalsContact OG1-O 3.06Å
140E95.8Very high97.9Very high18 Ų1836 Ų368%0.08420%0.199CC..Hα-helixtrans-68.8-46.2177.8-163.863.4-158.900111.7Q138 V142 L143 E144Q138-E140 VanDerWaalsContact C-N 3.26Å; Q138-E140 HydrophobicContact CG-CB 4.3Å; Q138-E140 PolarHBondContact O-N 3.25Å; E140-V142 VanDerWaalsContact C-N 3.26Å; E140-V142 PolarHBondContact O-N 3.4Å; E140-L143 CarbonylContact O-C 3.5Å; E140-L143 WeakPolarHBondContact O-CA 3.41Å; E140-L143 WeakPolarHBondContact O-CB 3.17Å; E140-L143 PolarHBondContact O-N 2.93Å; E140-E144 HydrophobicContact CG-CG 4.48Å; E140-E144 WeakPolarHBondContact O-CG 3.37Å; E140-E144 PolarHBondContact O-N 3.04Å
141D97.6Very high97.8Very high44 Ų4437.9 Ų37.924%0.23521%0.209CC..Hα-helixtrans-57.4-42.1178.9-48.3-29.4000111.1D137 Q138 A145D137-D141 HydrophobicContact CB-CB 3.92Å; Q138-D141 VanDerWaalsContact CG-OD2 3.29Å; Q138-D141 WeakPolarHBondContact CG-OD2 3.22Å; Q138-D141 PolarHBondContact N-OD2 3.07Å; Q138-D141 PolarHBondContact NE2-OD1 2.9Å; Q138-D141 PolarHBondContact O-N 3.27Å; D141-A145 WeakPolarHBondContact O-CB 3.45Å; D141-A145 PolarHBondContact O-N 3.09Å
142V98.6Very high97.8Very high1 Ų137.9 Ų37.91%0.00621%0.209CC..Hα-helixtrans-68-40.2175.7179.10000111.3L119 I131 V133 D137 Q138 E140 A145 V146 L162 P185L119-V142 HydrophobicContact CD2-CG1 3.8Å; L119-V142 HydrophobicContact CD2-CG2 4.49Å; I131-V142 HydrophobicContact CD1-CG1 3.75Å; V133-V142 HydrophobicContact CG1-CG2 4.26Å; D137-V142 HydrophobicContact CB-CG2 4.02Å; Q138-V142 WeakPolarHBondContact O-CG2 3.33Å; Q138-V142 PolarHBondContact O-N 3.1Å; Q138-V142 VanDerWaalsContact O-N 3.1Å; E140-V142 VanDerWaalsContact C-N 3.26Å; E140-V142 PolarHBondContact O-N 3.4Å; V142-A145 PolarHBondContact O-N 3.03Å; V142-V146 WeakPolarHBondContact O-CG2 3.42Å; V142-V146 PolarHBondContact O-N 3.48Å; V142-L162 HydrophobicContact CB-CD1 3.95Å; V142-L162 HydrophobicContact CG1-CD1 3.65Å; V142-P185 HydrophobicContact CB-CB 4.47Å; V142-P185 HydrophobicContact CB-CG 3.96Å; V142-P185 HydrophobicContact CG1-CB 4.33Å; V142-P185 HydrophobicContact CG1-CG 4.31Å; V142-P185 HydrophobicContact CG2-CB 4.14Å; V142-P185 HydrophobicContact CG2-CG 3.71Å
143L98.5Very high97.7Very high9 Ų934.8 Ų34.85%0.04720%0.195CC..Hα-helixtrans-64.9-42.2178.2179.362.5000111.5T139 E140 V146 A147 I157 L162 L201T139-L143 WeakPolarHBondContact O-CB 3.47Å; T139-L143 PolarHBondContact O-N 2.8Å; E140-L143 CarbonylContact O-C 3.5Å; E140-L143 WeakPolarHBondContact O-CA 3.41Å; E140-L143 WeakPolarHBondContact O-CB 3.17Å; E140-L143 PolarHBondContact O-N 2.93Å; L143-V146 PolarHBondContact O-N 2.94Å; L143-A147 WeakPolarHBondContact O-CB 3.38Å; L143-A147 PolarHBondContact O-N 2.84Å; L143-I157 HydrophobicContact CD2-CG2 3.74Å; L143-I157 HydrophobicContact CG-CG2 3.78Å; L143-L162 HydrophobicContact CB-CD1 4.17Å; L143-L162 HydrophobicContact CB-CG 4.33Å; L143-L162 HydrophobicContact CD1-CD2 4.21Å; L143-L162 HydrophobicContact CD1-CG 4.17Å; L143-L201 HydrophobicContact CD1-CD1 3.45Å; L143-L201 VanDerWaalsContact CD1-CD1 3.45Å
144E97.9Very high97.5Very high68 Ų6840.3 Ų40.332%0.31823%0.225SC..Hα-helixtrans-61.4-43.7173-71.2179.4179.700111.4E140 V146 A147 A148 I157E140-E144 HydrophobicContact CG-CG 4.48Å; E140-E144 WeakPolarHBondContact O-CG 3.37Å; E140-E144 PolarHBondContact O-N 3.04Å; E144-V146 VanDerWaalsContact C-N 3.35Å; E144-V146 PolarHBondContact O-N 3.08Å; E144-A147 PolarHBondContact O-N 3.4Å; E144-A148 WeakPolarHBondContact O-CB 3.3Å; E144-A148 PolarHBondContact O-N 3.04Å; E144-I157 HydrophobicContact CG-CD1 4.25Å
145A98.5Very high97.2Very high29 Ų2942.3 Ų42.324%0.2424%0.235CC..Hα-helixtrans-62.1-39.9175.700000112.5I131 V133 D141 V142 K149I131-A145 HydrophobicContact CB-CB 4.46Å; I131-A145 HydrophobicContact CD1-CB 4Å; V133-A145 HydrophobicContact CG1-CB 4.03Å; D141-A145 WeakPolarHBondContact O-CB 3.45Å; D141-A145 PolarHBondContact O-N 3.09Å; V142-A145 PolarHBondContact O-N 3.03Å; A145-K149 WeakPolarHBondContact O-CB 3.33Å; A145-K149 PolarHBondContact O-N 3.37Å
146V98.6Very high97.2Very high0 Ų042.8 Ų42.80%024%0.238CC..Hα-helixtrans-63.5-46.3172.6174.30000110.8V121 V129 I131 V142 L143 E144 K149 L150 L201V121-V146 HydrophobicContact CB-CG2 3.97Å; V121-V146 HydrophobicContact CG1-CG2 4.07Å; V121-V146 HydrophobicContact CG2-CG2 3.73Å; V129-V146 HydrophobicContact CG1-CG1 4.42Å; I131-V146 HydrophobicContact CD1-CG2 3.59Å; I131-V146 HydrophobicContact CG2-CG2 4.5Å; V142-V146 WeakPolarHBondContact O-CG2 3.42Å; V142-V146 PolarHBondContact O-N 3.48Å; L143-V146 PolarHBondContact O-N 2.94Å; E144-V146 VanDerWaalsContact C-N 3.35Å; E144-V146 PolarHBondContact O-N 3.08Å; V146-K149 WeakPolarHBondContact O-CB 3.29Å; V146-K149 PolarHBondContact O-N 2.9Å; V146-L150 HydrophobicContact CG1-CD1 3.74Å; V146-L150 HydrophobicContact CG1-CG 4.44Å; V146-L150 WeakPolarHBondContact O-CG 3.38Å; V146-L150 PolarHBondContact O-N 3.45Å; V146-L201 HydrophobicContact CG1-CD1 4.37Å; V146-L201 HydrophobicContact CG1-CD2 3.86Å
147A98.1Very high97.2Very high4 Ų442.1 Ų42.13%0.03323%0.233CC..Hα-helixtrans-61.1-47.3-179.800000111.7L143 E144 K149 L150 D151 L152 I157L143-A147 WeakPolarHBondContact O-CB 3.38Å; L143-A147 PolarHBondContact O-N 2.84Å; E144-A147 PolarHBondContact O-N 3.4Å; A147-K149 VanDerWaalsContact C-N 3.3Å; A147-K149 PolarHBondContact O-N 3.1Å; A147-L150 CarbonylContact O-C 3.53Å; A147-L150 PolarHBondContact O-N 3Å; A147-D151 PolarHBondContact O-N 2.71Å; A147-L152 HydrophobicContact CB-CB 4.1Å; A147-L152 HydrophobicContact CB-CD2 4.35Å; A147-L152 PolarHBondContact O-N 3.38Å; A147-I157 HydrophobicContact CB-CD1 3.66Å; A147-I157 HydrophobicContact CB-CG1 3.61Å
148A98.1Very high97Very high79 Ų7941.1 Ų41.165%0.65323%0.229SC*.Hα-helixtrans-59.1-40.517500000111.9E144 L150 D151E144-A148 WeakPolarHBondContact O-CB 3.3Å; E144-A148 PolarHBondContact O-N 3.04Å; A148-L150 VanDerWaalsContact C-N 3.25Å; A148-L150 PolarHBondContact O-N 3.2Å; A148-D151 PolarHBondContact O-N 3.13Å
149K98.4Very high97Very high137 Ų13740.2 Ų40.260%0.59623%0.225SC*.Hα-helixtrans-65.2-29.2176.6-172.661.5171.8-169.80113.1V129 L130 I131 A145 V146 A147V129-K149 HydrophobicContact CG1-CB 4.05Å; V129-K149 HydrophobicContact CG1-CG 3.61Å; L130-K149 WeakPolarHBondContact O-CE 3.16Å; I131-K149 HydrophobicContact CG2-CB 3.81Å; I131-K149 HydrophobicContact CG2-CG 4.03Å; A145-K149 WeakPolarHBondContact O-CB 3.33Å; A145-K149 PolarHBondContact O-N 3.37Å; V146-K149 WeakPolarHBondContact O-CB 3.29Å; V146-K149 PolarHBondContact O-N 2.9Å; A147-K149 VanDerWaalsContact C-N 3.3Å; A147-K149 PolarHBondContact O-N 3.1Å
150L98.2Very high97Very high35 Ų3540 Ų4018%0.18322%0.223CC..Hα-helixtrans-94.5-4.6-179.4-67.8172.8000113.7L123 V129 V146 A147 A148 L152 L201 V219 L223L123-L150 HydrophobicContact CD2-CD1 4.17Å; V129-L150 HydrophobicContact CG1-CD2 4.39Å; V129-L150 HydrophobicContact CG1-CG 4.39Å; V129-L150 HydrophobicContact CG2-CD2 3.91Å; V129-L150 HydrophobicContact CG2-CG 4.45Å; V146-L150 HydrophobicContact CG1-CD1 3.74Å; V146-L150 HydrophobicContact CG1-CG 4.44Å; V146-L150 WeakPolarHBondContact O-CG 3.38Å; V146-L150 PolarHBondContact O-N 3.45Å; A147-L150 CarbonylContact O-C 3.53Å; A147-L150 PolarHBondContact O-N 3Å; A148-L150 VanDerWaalsContact C-N 3.25Å; A148-L150 PolarHBondContact O-N 3.2Å; L150-L152 PolarHBondContact O-N 3.49Å; L150-L201 HydrophobicContact CD1-CD2 3.77Å; L150-V219 HydrophobicContact CB-CG1 4.37Å; L150-V219 WeakPolarHBondContact O-CG1 3.46Å; L150-L223 HydrophobicContact CD1-CD2 4.23Å
151D98.2Very high97.1Very high134 Ų13439.6 Ų39.672%0.71722%0.222SC*.THydrogen-bonded Turntrans58.435.7-170.8-161.639.7000112.4A147 A148 V219A147-D151 PolarHBondContact O-N 2.71Å; A148-D151 PolarHBondContact O-N 3.13Å; D151-V219 WeakPolarHBondContact O-CG2 3.33Å
152L97.9Very high97.2Very high8 Ų837.6 Ų37.64%0.04221%0.211CC..  trans-82.7124.9174.5-176.671.2000109.3A147 L150 L156 F160 V219 L223A147-L152 HydrophobicContact CB-CB 4.1Å; A147-L152 HydrophobicContact CB-CD2 4.35Å; A147-L152 PolarHBondContact O-N 3.38Å; L150-L152 PolarHBondContact O-N 3.49Å; L152-L156 HydrophobicContact CD1-CB 3.93Å; L152-L156 HydrophobicContact CD1-CD1 4.12Å; L152-L156 HydrophobicContact CG-CB 4.16Å; L152-F160 HydrophobicContact CD1-CE2 4.36Å; L152-F160 HydrophobicContact CD2-CD2 3.78Å; L152-F160 HydrophobicContact CD2-CE2 3.95Å; L152-V219 HydrophobicContact CB-CG1 4.12Å; L152-V219 HydrophobicContact CD1-CB 4.32Å; L152-V219 HydrophobicContact CD1-CG1 4.04Å; L152-L223 HydrophobicContact CD1-CD1 4.19Å; L152-L223 HydrophobicContact CD2-CD1 4.27Å
153P96.6Very high97.2Very high42 Ų4238.1 Ų38.127%0.27321%0.213SC..  trans-58.6144178.2-27.335.7000114D155 L156 I157 N217P153-D155 WeakPolarHBondContact CB-OD1 3.35Å; P153-D155 PolarHBondContact O-N 3.17Å; P153-D155 VanDerWaalsContact O-N 3.14Å; P153-L156 HydrophobicContact CG-CD1 4.46Å; P153-L156 WeakPolarHBondContact O-CA 3.38Å; P153-L156 WeakPolarHBondContact O-CB 3.45Å; P153-L156 PolarHBondContact O-N 2.99Å; P153-I157 PolarHBondContact O-N 3.24Å; P153-N217 VanDerWaalsContact CG-ND2 3.3Å; P153-N217 WeakPolarHBondContact CG-ND2 3.35Å
154D92.9Very high97.1Very high122 Ų12237.8 Ų37.865%0.65221%0.212SC*.Hα-helixtrans-54.2-35.8-178.6-61.7-11000113.3L156 I157D154-L156 PolarHBondContact O-N 3.42Å; D154-I157 HydrophobicContact CB-CD1 4.39Å; D154-I157 WeakPolarHBondContact O-CB 3.32Å; D154-I157 PolarHBondContact O-N 2.95Å
155D92.6Very high97.1Very high79 Ų7934.6 Ų34.642%0.42220%0.197SC..Hα-helixtrans-73.3-12.9179.968.5-30.3000114P153 R397P153-D155 WeakPolarHBondContact CB-OD1 3.35Å; P153-D155 PolarHBondContact O-N 3.17Å; P153-D155 VanDerWaalsContact O-N 3.14Å; D155-R397 IonicContact OD2-NH2 2.65Å
156L96.1Very high97Very high10 Ų1036.8 Ų36.85%0.05220%0.199CC..Hα-helixtrans-98.6-12.5173.7-63-173.8000113.8L152 P153 D154 G158 Y159 F160 N217L152-L156 HydrophobicContact CD1-CB 3.93Å; L152-L156 HydrophobicContact CD1-CD1 4.12Å; L152-L156 HydrophobicContact CG-CB 4.16Å; P153-L156 HydrophobicContact CG-CD1 4.46Å; P153-L156 WeakPolarHBondContact O-CA 3.38Å; P153-L156 WeakPolarHBondContact O-CB 3.45Å; P153-L156 PolarHBondContact O-N 2.99Å; D154-L156 PolarHBondContact O-N 3.42Å; L156-G158 VanDerWaalsContact C-N 3.28Å; L156-G158 PolarHBondContact O-N 2.89Å; L156-Y159 HydrophobicContact CD2-CD2 4.08Å; L156-Y159 HydrophobicContact CD2-CE2 3.91Å; L156-Y159 WeakPolarHBondContact O-CB 3.45Å; L156-Y159 WeakPolarHBondContact O-CD2 3.4Å; L156-Y159 PolarHBondContact O-N 3.46Å; L156-Y159 VanDerWaalsContact O-N 3.07Å; L156-F160 WeakPolarHBondContact O-CD2 3.08Å; L156-N217 HydrophobicContact CD1-CB 3.38Å
157I95.9Very high96.9Very high3 Ų340 Ų402%0.01521%0.214CC..Hα-helixtrans-53.7-47-178.2-67.8-179.2000111.2L143 E144 A147 P153 D154 Y159 F160L143-I157 HydrophobicContact CD2-CG2 3.74Å; L143-I157 HydrophobicContact CG-CG2 3.78Å; E144-I157 HydrophobicContact CG-CD1 4.25Å; A147-I157 HydrophobicContact CB-CD1 3.66Å; A147-I157 HydrophobicContact CB-CG1 3.61Å; P153-I157 PolarHBondContact O-N 3.24Å; D154-I157 HydrophobicContact CB-CD1 4.39Å; D154-I157 WeakPolarHBondContact O-CB 3.32Å; D154-I157 PolarHBondContact O-N 2.95Å; I157-Y159 PolarHBondContact O-N 2.84Å; I157-F160 PolarHBondContact O-N 3.38Å
158G93.9Very high96.6Very high6 Ų642.7 Ų42.76%0.06223%0.225CC..THydrogen-bonded Turntrans-63.2-14.1-177.100000115L156 F160 L396L156-G158 VanDerWaalsContact C-N 3.28Å; L156-G158 PolarHBondContact O-N 2.89Å; G158-F160 PolarHBondContact O-N 2.7Å; G158-L396 VanDerWaalsContact O-CD2 3.22Å; G158-L396 WeakPolarHBondContact O-CD2 3.47Å
159Y96.9Very high96.3Very high7 Ų748.7 Ų48.73%0.02724%0.239CC..THydrogen-bonded Turntrans-75.7-15.6173.7-69.3-99.4000112.6L156 I157 S204 Y205 D213 V214 R393 L396L156-Y159 HydrophobicContact CD2-CD2 4.08Å; L156-Y159 HydrophobicContact CD2-CE2 3.91Å; L156-Y159 WeakPolarHBondContact O-CB 3.45Å; L156-Y159 WeakPolarHBondContact O-CD2 3.4Å; L156-Y159 PolarHBondContact O-N 3.46Å; L156-Y159 VanDerWaalsContact O-N 3.07Å; I157-Y159 PolarHBondContact O-N 2.84Å; Y159-S204 PolarHBondContact O-N 2.89Å; Y159-S204 PolarHBondContact O-OG 2.95Å; Y159-S204 VanDerWaalsContact O-OG 3.1Å; Y159-Y205 AromaticContact CD1-CD1 3.79Å; Y159-Y205 HydrophobicContact CD1-CD1 3.79Å; Y159-Y205 AromaticContact CD1-CE1 3.72Å; Y159-Y205 HydrophobicContact CD1-CE1 3.72Å; Y159-Y205 HydrophobicContact CG-CD1 4.37Å; Y159-Y205 HydrophobicContact CG-CE1 4.28Å; Y159-Y205 WeakPolarHBondContact O-CD1 2.99Å; Y159-D213 HydrophobicContact CE1-CB 3.98Å; Y159-D213 VanDerWaalsContact OH-CB 3.31Å; Y159-D213 WeakPolarHBondContact OH-CB 3.33Å; Y159-D213 PolarHBondContact OH-OD2 3.27Å; Y159-V214 HydrophobicContact CD1-CG2 3.42Å; Y159-V214 VanDerWaalsContact CD1-CG2 3.42Å; Y159-V214 HydrophobicContact CD2-CG2 4.3Å; Y159-V214 HydrophobicContact CE1-CG2 3.96Å; Y159-V214 HydrophobicContact CG-CG2 3.61Å; Y159-R393 WeakPolarHBondContact OH-CG 3.16Å; Y159-L396 HydrophobicContact CD1-CD1 4.06Å; Y159-L396 HydrophobicContact CD2-CD1 4.26Å; Y159-L396 HydrophobicContact CE1-CD1 4.24Å; Y159-L396 HydrophobicContact CE2-CD1 4.43Å; Y159-L396 HydrophobicContact CG-CD1 4.09Å
160F97.9Very high95.9Very high6 Ų647.9 Ų47.93%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-111.5162.9-178.8-61.7-91.2000111.3L152 L156 I157 G158 L201 R202 K203 S204 V214 L223L152-F160 HydrophobicContact CD1-CE2 4.36Å; L152-F160 HydrophobicContact CD2-CD2 3.78Å; L152-F160 HydrophobicContact CD2-CE2 3.95Å; L156-F160 WeakPolarHBondContact O-CD2 3.08Å; I157-F160 PolarHBondContact O-N 3.38Å; G158-F160 PolarHBondContact O-N 2.7Å; F160-L201 HydrophobicContact CB-CD1 3.81Å; F160-L201 HydrophobicContact CB-CG 4.4Å; F160-L201 HydrophobicContact CD1-CG 4.41Å; F160-R202 WeakPolarHBondContact CA-O 3.35Å; F160-K203 HydrophobicContact CD1-CB 4.41Å; F160-K203 HydrophobicContact CE1-CB 4.29Å; F160-S204 PolarHBondContact O-OG 3.28Å; F160-V214 HydrophobicContact CE2-CG1 4.19Å; F160-V214 HydrophobicContact CZ-CG1 3.97Å; F160-L223 HydrophobicContact CE1-CB 3.82Å; F160-L223 HydrophobicContact CE1-CD1 3.91Å; F160-L223 HydrophobicContact CE1-CG 4.49Å; F160-L223 HydrophobicContact CE2-CD1 4.19Å; F160-L223 HydrophobicContact CZ-CB 3.88Å; F160-L223 HydrophobicContact CZ-CD1 3.73Å; F160-L223 HydrophobicContact CZ-CG 4.47Å
161S98.1Very high95.4Very high9 Ų947.3 Ų47.36%0.06324%0.244CC..EExtended strand (participates in β ladder)trans-148.7161.5172.7-70.20000110.3F163 R202 S204S161-F163 WeakPolarHBondContact O-CD2 3.28Å; S161-F163 WeakPolarHBondContact O-CE2 3.46Å; S161-R202 PolarHBondContact N-O 2.74Å; S161-R202 PolarHBondContact O-N 3.29Å; S161-R202 VanDerWaalsContact O-N 3.12Å; S161-S204 WeakPolarHBondContact OG-CB 3.19Å; S161-S204 PolarHBondContact OG-OG 3.35Å; S161-S204 VanDerWaalsContact OG-OG 3.13Å
162L98.6Very high95.1Very high1 Ų141.6 Ų41.61%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-92.1135.3172.4-57.7175.1000110.4V121 T139 V142 L143 L179 P185 I199 V200 L201V121-L162 HydrophobicContact CG1-CD2 4.02Å; T139-L162 HydrophobicContact CG2-CD1 4.35Å; V142-L162 HydrophobicContact CB-CD1 3.95Å; V142-L162 HydrophobicContact CG1-CD1 3.65Å; L143-L162 HydrophobicContact CB-CD1 4.17Å; L143-L162 HydrophobicContact CB-CG 4.33Å; L143-L162 HydrophobicContact CD1-CD2 4.21Å; L143-L162 HydrophobicContact CD1-CG 4.17Å; L162-L179 HydrophobicContact CB-CB 4.5Å; L162-L179 HydrophobicContact CB-CD1 3.89Å; L162-L179 HydrophobicContact CB-CG 4.42Å; L162-L179 PolarHBondContact O-N 3.5Å; L162-P185 HydrophobicContact CD1-CG 4.48Å; L162-I199 HydrophobicContact CB-CG2 4.07Å; L162-I199 HydrophobicContact CD1-CG2 4.48Å; L162-I199 HydrophobicContact CD2-CG2 4.07Å; L162-I199 HydrophobicContact CG-CG2 4.43Å; L162-V200 CarbonylContact C-O 3.58Å; L162-V200 WeakPolarHBondContact CA-O 3.35Å; L162-L201 HydrophobicContact CD2-CB 4.44Å; L162-L201 HydrophobicContact CD2-CD1 4Å
163F98.3Very high95Very high12 Ų1241.6 Ų41.65%0.05322%0.215CC..EExtended strand (participates in β ladder)trans-122.7137.1178.7-63.1-96.4000109.7S161 V165 F175 R177 K178 I199 V200 R202 M371S161-F163 WeakPolarHBondContact O-CD2 3.28Å; S161-F163 WeakPolarHBondContact O-CE2 3.46Å; F163-V165 HydrophobicContact CB-CG1 4.24Å; F163-F175 HydrophobicContact CB-CD1 3.78Å; F163-F175 HydrophobicContact CB-CE1 3.75Å; F163-F175 AromaticContact CD1-CD1 3.81Å; F163-F175 HydrophobicContact CD1-CD1 3.81Å; F163-F175 HydrophobicContact CD1-CE1 4.06Å; F163-F175 HydrophobicContact CD2-CE1 4.19Å; F163-F175 AromaticContact CG-CD1 3.86Å; F163-F175 HydrophobicContact CG-CD1 3.86Å; F163-F175 AromaticContact CG-CE1 3.74Å; F163-F175 HydrophobicContact CG-CE1 3.74Å; F163-R177 WeakPolarHBondContact CA-O 3.16Å; F163-K178 HydrophobicContact CD1-CB 3.76Å; F163-K178 HydrophobicContact CD1-CG 4.03Å; F163-K178 HydrophobicContact CE1-CB 3.6Å; F163-K178 HydrophobicContact CE1-CD 4.03Å; F163-K178 HydrophobicContact CE1-CG 3.65Å; F163-K178 HydrophobicContact CZ-CB 4.41Å; F163-K178 HydrophobicContact CZ-CD 4.06Å; F163-K178 HydrophobicContact CZ-CG 3.97Å; F163-I199 CarbonylContact O-C 3.46Å; F163-I199 WeakPolarHBondContact O-CA 3.39Å; F163-V200 PolarHBondContact N-O 3.23Å; F163-V200 PolarHBondContact O-N 2.85Å; F163-R202 HydrophobicContact CD2-CB 3.89Å; F163-R202 HydrophobicContact CE2-CB 3.76Å; F163-M371 HydrophobicContact CD1-CE 3.83Å; F163-M371 HydrophobicContact CE1-CE 3.75Å
164L97.8Very high95Very high3 Ų340.1 Ų40.12%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-81126.416417867.5000108.1V176 R177 L179 V189 L192L164-V176 HydrophobicContact CB-CB 4.46Å; L164-V176 HydrophobicContact CD2-CB 4.23Å; L164-V176 HydrophobicContact CD2-CG1 4.11Å; L164-V176 HydrophobicContact CG-CB 4.15Å; L164-V176 HydrophobicContact CG-CG2 4.42Å; L164-V176 WeakPolarHBondContact O-CA 3.38Å; L164-V176 WeakPolarHBondContact O-CB 3.48Å; L164-V176 PolarHBondContact O-N 3.35Å; L164-R177 HydrophobicContact CB-CG 4.2Å; L164-R177 HydrophobicContact CD2-CG 4.35Å; L164-R177 PolarHBondContact N-O 3.05Å; L164-R177 PolarHBondContact O-N 3.1Å; L164-L179 HydrophobicContact CB-CD2 4.07Å; L164-V189 HydrophobicContact CD1-CB 4.31Å; L164-V189 HydrophobicContact CD1-CG2 4.22Å; L164-L192 HydrophobicContact CD1-CD1 4.05Å; L164-L192 HydrophobicContact CD2-CD1 3.87Å; L164-L192 HydrophobicContact CG-CD1 4.46Å
165V97.4Very high95.1Very high0 Ų034.5 Ų34.50%018%0.175CC..EExtended strand (participates in β ladder)trans-129.4157.9178.6-50.70000110.5F163 F173 S174 F175 Y197 K198 V200F163-V165 HydrophobicContact CB-CG1 4.24Å; V165-F173 HydrophobicContact CB-CB 4.14Å; V165-F173 HydrophobicContact CG1-CB 4.39Å; V165-F173 HydrophobicContact CG2-CB 4.15Å; V165-F173 HydrophobicContact CG2-CD1 3.86Å; V165-F173 HydrophobicContact CG2-CG 4.02Å; V165-S174 CarbonylContact C-O 3.53Å; V165-S174 WeakPolarHBondContact CA-O 3.13Å; V165-F175 HydrophobicContact CG1-CD1 3.8Å; V165-F175 HydrophobicContact CG1-CD2 4.16Å; V165-F175 HydrophobicContact CG1-CE1 3.92Å; V165-F175 HydrophobicContact CG1-CE2 4.25Å; V165-F175 HydrophobicContact CG1-CG 3.93Å; V165-F175 HydrophobicContact CG1-CZ 4.14Å; V165-Y197 CarbonylContact O-C 3.53Å; V165-Y197 VanDerWaalsContact O-CA 3.26Å; V165-Y197 WeakPolarHBondContact O-CA 3.45Å; V165-K198 HydrophobicContact CG2-CB 3.92Å; V165-K198 PolarHBondContact N-O 2.83Å; V165-K198 PolarHBondContact O-N 3.08Å; V165-V200 HydrophobicContact CB-CG2 4.34Å; V165-V200 HydrophobicContact CG1-CB 4.08Å; V165-V200 HydrophobicContact CG1-CG2 3.87Å; V165-V200 HydrophobicContact CG2-CB 4.48Å; V165-V200 HydrophobicContact CG2-CG2 3.47Å; V165-V200 VanDerWaalsContact CG2-CG2 3.47Å
166R96.7Very high95.2Very high76 Ų7632.7 Ų32.729%0.28717%0.167SC..EExtended strand (participates in β ladder)trans-101.5122.5161.6-177.3180-179.4-96.2-6108.5S174 E196 Y197R166-S174 PolarHBondContact N-O 2.96Å; R166-S174 PolarHBondContact O-N 3.02Å; R166-E196 CarbonylContact C-O 3.55Å; R166-E196 WeakPolarHBondContact CA-O 3.31Å; R166-E196 HydrophobicContact CG-CB 4.12Å; R166-E196 IonicContact CZ-OE1 3.75Å; R166-E196 IonicContact CZ-OE2 3.97Å; R166-E196 IonicContact NE-OE2 3.85Å; R166-E196 PolarHBondContact NE-OE2 3.33Å; R166-E196 IonicContact NH2-OE1 3.66Å; R166-E196 PolarHBondContact NH2-OE1 2.98Å; R166-E196 IonicContact NH2-OE2 2.99Å; R166-E196 PolarHBondContact NH2-OE2 3.37Å; R166-Y197 HydrophobicContact CB-CD1 4.11Å; R166-Y197 HydrophobicContact CB-CE1 3.95Å; R166-Y197 HydrophobicContact CG-CE1 4.38Å
167E95.6Very high95.1Very high67 Ų6733.1 Ų33.131%0.31317%0.168SC..EExtended strand (participates in β ladder)trans-77.6126.6169.8-172.8174.5-173.400109.4F173 E196 K198E167-F173 HydrophobicContact CB-CD1 4.12Å; E167-F173 HydrophobicContact CB-CE1 4.12Å; E167-F173 HydrophobicContact CG-CD1 4.2Å; E167-F173 HydrophobicContact CG-CE1 3.91Å; E167-E196 PolarHBondContact N-O 3.3Å; E167-K198 HydrophobicContact CB-CG 4.23Å; E167-K198 WeakPolarHBondContact OE2-CE 3.46Å
168K93.3Very high95.1Very high61 Ų6134.5 Ų34.527%0.26517%0.174SC..PPolyproline II helixtrans-87.1167176.2-65.1-172.5-60.9-172.20110.3D170 G171 A172 S174 D275K168-D170 VanDerWaalsContact CB-OD1 3.23Å; K168-D170 WeakPolarHBondContact CB-OD1 3.36Å; K168-D170 PolarHBondContact O-N 2.81Å; K168-G171 WeakPolarHBondContact O-CA 3.45Å; K168-G171 PolarHBondContact O-N 3.35Å; K168-A172 WeakPolarHBondContact CB-O 3.44Å; K168-A172 PolarHBondContact N-O 3.45Å; K168-S174 WeakPolarHBondContact CD-OG 3.31Å; K168-D275 IonicContact NZ-OD1 3.35Å; K168-D275 PolarHBondContact NZ-OD1 3.39Å
169E91.1Very high95.2Very high204 Ų20434.4 Ų34.495%0.95317%0.172SC*.THydrogen-bonded Turntrans-58.9-29.5-179.8-64.5176.3-172.900113.3G171E169-G171 PolarHBondContact O-N 2.86Å
170D89.1Confident95Very high120 Ų12035.2 Ų35.264%0.64218%0.176SC*.THydrogen-bonded Turntrans-81.35.3175.464.6-0.6000113.5K168 A172K168-D170 VanDerWaalsContact CB-OD1 3.23Å; K168-D170 WeakPolarHBondContact CB-OD1 3.36Å; K168-D170 PolarHBondContact O-N 2.81Å; D170-A172 PolarHBondContact O-N 3.43Å; D170-A172 VanDerWaalsContact OD1-CB 3.22Å; D170-A172 WeakPolarHBondContact OD1-CB 3.41Å; D170-A172 PolarHBondContact OD1-N 3.17Å
171G88.6Confident94.7Very high23 Ų2338.8 Ų38.824%0.23719%0.193CC..SBendtrans76.6-1.1-175.500000114.3K168 E169 R234K168-G171 WeakPolarHBondContact O-CA 3.45Å; K168-G171 PolarHBondContact O-N 3.35Å; E169-G171 PolarHBondContact O-N 2.86Å; G171-R234 PolarHBondContact O-NH2 2.67Å
172A92Very high94.4Very high14 Ų1438.4 Ų38.412%0.11619%0.19CC..  trans-75.6149.8178.100000111.9K168 D170K168-A172 WeakPolarHBondContact CB-O 3.44Å; K168-A172 PolarHBondContact N-O 3.45Å; D170-A172 PolarHBondContact O-N 3.43Å; D170-A172 VanDerWaalsContact OD1-CB 3.22Å; D170-A172 WeakPolarHBondContact OD1-CB 3.41Å; D170-A172 PolarHBondContact OD1-N 3.17Å
173F94.9Very high94.2Very high8 Ų838.5 Ų38.54%0.03519%0.191CC..EExtended strand (participates in β ladder)trans-100.4125.2-176.7-59.7-40.5000111.7L122 V165 E167 F175 V200L122-F173 HydrophobicContact CB-CZ 4.48Å; L122-F173 HydrophobicContact CD1-CE1 4Å; L122-F173 HydrophobicContact CD1-CZ 3.8Å; V165-F173 HydrophobicContact CB-CB 4.14Å; V165-F173 HydrophobicContact CG1-CB 4.39Å; V165-F173 HydrophobicContact CG2-CB 4.15Å; V165-F173 HydrophobicContact CG2-CD1 3.86Å; V165-F173 HydrophobicContact CG2-CG 4.02Å; E167-F173 HydrophobicContact CB-CD1 4.12Å; E167-F173 HydrophobicContact CB-CE1 4.12Å; E167-F173 HydrophobicContact CG-CD1 4.2Å; E167-F173 HydrophobicContact CG-CE1 3.91Å; F173-F175 HydrophobicContact CB-CD2 4.36Å; F173-F175 HydrophobicContact CB-CE2 3.98Å; F173-V200 HydrophobicContact CD2-CG2 4.06Å; F173-V200 HydrophobicContact CE2-CG2 4.01Å; F173-V200 HydrophobicContact CG-CG2 4.45Å; F173-V200 HydrophobicContact CZ-CG2 4.35Å
174S96.7Very high94.2Very high11 Ų1138 Ų388%0.07719%0.189CC..EExtended strand (participates in β ladder)trans-94.9107.5166.6-60.80000108.8V165 R166 K168 V176 D275V165-S174 CarbonylContact C-O 3.53Å; V165-S174 WeakPolarHBondContact CA-O 3.13Å; R166-S174 PolarHBondContact N-O 2.96Å; R166-S174 PolarHBondContact O-N 3.02Å; K168-S174 WeakPolarHBondContact CD-OG 3.31Å; S174-V176 PolarHBondContact O-N 3.03Å; S174-D275 WeakPolarHBondContact CB-OD2 2.98Å; S174-D275 PolarHBondContact OG-OD1 3.13Å; S174-D275 PolarHBondContact OG-OD2 3.32Å
175F96.4Very high94.2Very high4 Ų437.9 Ų37.92%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-70.4118.9-176.6-78.8-108.6000111.6F163 V165 F173 V200 W236 L272 Q368 M371F163-F175 HydrophobicContact CB-CD1 3.78Å; F163-F175 HydrophobicContact CB-CE1 3.75Å; F163-F175 AromaticContact CD1-CD1 3.81Å; F163-F175 HydrophobicContact CD1-CD1 3.81Å; F163-F175 HydrophobicContact CD1-CE1 4.06Å; F163-F175 HydrophobicContact CD2-CE1 4.19Å; F163-F175 AromaticContact CG-CD1 3.86Å; F163-F175 HydrophobicContact CG-CD1 3.86Å; F163-F175 AromaticContact CG-CE1 3.74Å; F163-F175 HydrophobicContact CG-CE1 3.74Å; V165-F175 HydrophobicContact CG1-CD1 3.8Å; V165-F175 HydrophobicContact CG1-CD2 4.16Å; V165-F175 HydrophobicContact CG1-CE1 3.92Å; V165-F175 HydrophobicContact CG1-CE2 4.25Å; V165-F175 HydrophobicContact CG1-CG 3.93Å; V165-F175 HydrophobicContact CG1-CZ 4.14Å; F173-F175 HydrophobicContact CB-CD2 4.36Å; F173-F175 HydrophobicContact CB-CE2 3.98Å; F175-V200 HydrophobicContact CZ-CG1 4.48Å; F175-W236 AromaticContact CD2-CH2 3.62Å; F175-W236 HydrophobicContact CD2-CH2 3.62Å; F175-W236 HydrophobicContact CD2-CZ2 4.3Å; F175-W236 AromaticContact CE2-CH2 3.41Å; F175-W236 HydrophobicContact CE2-CH2 3.41Å; F175-W236 VanDerWaalsContact CE2-CH2 3.41Å; F175-W236 HydrophobicContact CE2-CZ2 4.18Å; F175-W236 HydrophobicContact CE2-CZ3 4.22Å; F175-W236 HydrophobicContact CZ-CH2 4.36Å; F175-L272 HydrophobicContact CB-CD2 4.35Å; F175-L272 HydrophobicContact CD1-CD1 4.07Å; F175-L272 HydrophobicContact CE1-CD1 4.43Å; F175-L272 HydrophobicContact CG-CD1 4.25Å; F175-Q368 PolarHBondContact O-NE2 3.22Å; F175-M371 HydrophobicContact CB-CE 4.27Å; F175-M371 HydrophobicContact CB-CG 4.1Å; F175-M371 HydrophobicContact CD1-CE 4.32Å
176V94.5Very high94.2Very high42 Ų4240.4 Ų40.426%0.25520%0.198SC..EExtended strand (participates in β ladder)trans-85.1-49.6-179.5-177.10000110.1L164 S174 Y197 M371L164-V176 HydrophobicContact CB-CB 4.46Å; L164-V176 HydrophobicContact CD2-CB 4.23Å; L164-V176 HydrophobicContact CD2-CG1 4.11Å; L164-V176 HydrophobicContact CG-CB 4.15Å; L164-V176 HydrophobicContact CG-CG2 4.42Å; L164-V176 WeakPolarHBondContact O-CA 3.38Å; L164-V176 WeakPolarHBondContact O-CB 3.48Å; L164-V176 PolarHBondContact O-N 3.35Å; S174-V176 PolarHBondContact O-N 3.03Å; V176-Y197 HydrophobicContact CG2-CD1 4.26Å; V176-Y197 HydrophobicContact CG2-CE1 4.05Å; V176-M371 WeakPolarHBondContact O-CB 3.13Å
177R94.4Very high94.2Very high18 Ų1836.9 Ų36.97%0.06818%0.184CC..EExtended strand (participates in β ladder)trans-171.4156.8-179.954-168.4-17172.6-1.2111.8F163 L164 E183 M371 I374F163-R177 WeakPolarHBondContact CA-O 3.16Å; L164-R177 HydrophobicContact CB-CG 4.2Å; L164-R177 HydrophobicContact CD2-CG 4.35Å; L164-R177 PolarHBondContact N-O 3.05Å; L164-R177 PolarHBondContact O-N 3.1Å; R177-E183 IonicContact CZ-OE1 2.69Å; R177-E183 IonicContact CZ-OE2 2.86Å; R177-E183 IonicContact NH1-OE1 2.78Å; R177-E183 PolarHBondContact NH1-OE1 3.3Å; R177-E183 IonicContact NH1-OE2 3.16Å; R177-E183 PolarHBondContact NH1-OE2 3.03Å; R177-E183 IonicContact NH2-OE2 2.76Å; R177-E183 PolarHBondContact NH2-OE2 2.96Å; R177-M371 WeakPolarHBondContact CA-SD 3.39Å; R177-I374 HydrophobicContact CB-CD1 3.75Å
178K95.8Very high94.2Very high33 Ų3333.8 Ų33.814%0.14317%0.171CC..EExtended strand (participates in β ladder)trans-76131.5163.1-166.5177.874.971.10109.5F163 Q180 I374F163-K178 HydrophobicContact CD1-CB 3.76Å; F163-K178 HydrophobicContact CD1-CG 4.03Å; F163-K178 HydrophobicContact CE1-CB 3.6Å; F163-K178 HydrophobicContact CE1-CD 4.03Å; F163-K178 HydrophobicContact CE1-CG 3.65Å; F163-K178 HydrophobicContact CZ-CB 4.41Å; F163-K178 HydrophobicContact CZ-CD 4.06Å; F163-K178 HydrophobicContact CZ-CG 3.97Å; K178-Q180 PolarHBondContact O-NE2 3.11Å; K178-I374 HydrophobicContact CB-CG2 4.07Å
179L95.8Very high94.3Very high3 Ų331.8 Ų31.82%0.01616%0.163CC..PPolyproline II helixtrans-67.8140.6174.5-59.5-178.8000110.2T139 L162 L164 E183 P185 I199T139-L179 HydrophobicContact CG2-CB 3.77Å; L162-L179 HydrophobicContact CB-CB 4.5Å; L162-L179 HydrophobicContact CB-CD1 3.89Å; L162-L179 HydrophobicContact CB-CG 4.42Å; L162-L179 PolarHBondContact O-N 3.5Å; L164-L179 HydrophobicContact CB-CD2 4.07Å; L179-E183 WeakPolarHBondContact CA-OE1 3.4Å; L179-P185 HydrophobicContact CD1-CB 3.8Å; L179-P185 HydrophobicContact CD1-CG 3.96Å; L179-I199 HydrophobicContact CD1-CD1 3.66Å; L179-I199 HydrophobicContact CD1-CG2 4.47Å
180Q92.4Very high94.5Very high25 Ų2524.7 Ų24.712%0.11713%0.134CC..PPolyproline II helixtrans-100.3157.5-178.3-51.6-64.1-45.900110.7M1 T139 K178 F182 E183M1-Q180 HydrophobicContact CE-CB 3.83Å; M1-Q180 HydrophobicContact CE-CG 3.32Å; M1-Q180 HydrophobicContact SD-CG 4.38Å; T139-Q180 WeakPolarHBondContact CB-O 3.46Å; T139-Q180 PolarHBondContact OG1-O 2.79Å; K178-Q180 PolarHBondContact O-NE2 3.11Å; Q180-F182 HydrophobicContact CB-CD1 4.12Å; Q180-F182 HydrophobicContact CB-CE1 3.76Å; Q180-F182 HydrophobicContact CB-CE2 4.48Å; Q180-F182 HydrophobicContact CB-CZ 3.95Å; Q180-F182 HydrophobicContact CG-CE1 4.36Å; Q180-F182 HydrophobicContact CG-CZ 4.29Å; Q180-F182 PolarHBondContact O-N 2.82Å; Q180-F182 VanDerWaalsContact O-N 3.1Å; Q180-E183 HydrophobicContact CB-CG 4.1Å; Q180-E183 WeakPolarHBondContact CG-OE1 3.3Å; Q180-E183 PolarHBondContact N-OE1 2.95Å; Q180-E183 WeakPolarHBondContact O-CB 3.41Å; Q180-E183 PolarHBondContact O-N 2.89Å
181E91.1Very high94.6Very high81 Ų8120.8 Ų20.838%0.37912%0.116SC..THydrogen-bonded Turntrans-54.6-34-175-66.3164.4-17000113.6E183 R399E181-E183 VanDerWaalsContact C-N 3.31Å; E181-E183 PolarHBondContact O-N 3.42Å; E181-R399 IonicContact OE1-NE 2.72Å
182F91.9Very high94.7Very high0 Ų021.2 Ų21.20%011%0.113CC..THydrogen-bonded Turntrans-85.44.4178.462.8-101.4000114.5M1 F3 V27 H32 N99 L102 R103 Q180M1-F182 HydrophobicContact CE-CE1 3.62Å; M1-F182 HydrophobicContact CE-CZ 4.05Å; M1-F182 HydrophobicContact SD-CE1 3.37Å; M1-F182 WeakPolarHBondContact SD-CE1 3.26Å; M1-F182 HydrophobicContact SD-CZ 3.45Å; M1-F182 WeakPolarHBondContact SD-CZ 3.43Å; F3-F182 HydrophobicContact CZ-CE1 4.33Å; F3-F182 HydrophobicContact CZ-CZ 4.03Å; V27-F182 HydrophobicContact CG1-CE2 4.39Å; V27-F182 HydrophobicContact CG1-CZ 3.86Å; V27-F182 HydrophobicContact CG2-CE2 4.14Å; V27-F182 HydrophobicContact CG2-CZ 4.14Å; H32-F182 AromaticContact CE1-CD2 3.63Å; H32-F182 AromaticContact CE1-CE2 3.67Å; H32-F182 AromaticContact ND1-CE2 3.95Å; H32-F182 AromaticContact NE2-CD2 3.85Å; N99-F182 HydrophobicContact CB-CB 3.92Å; L102-F182 HydrophobicContact CB-CB 4.05Å; L102-F182 HydrophobicContact CB-CD2 3.89Å; L102-F182 HydrophobicContact CB-CG 4.13Å; L102-F182 HydrophobicContact CD1-CB 4.22Å; L102-F182 HydrophobicContact CD1-CD1 3.95Å; L102-F182 HydrophobicContact CD1-CD2 3.8Å; L102-F182 HydrophobicContact CD1-CE1 4.22Å; L102-F182 HydrophobicContact CD1-CE2 4.11Å; L102-F182 HydrophobicContact CD1-CG 3.72Å; L102-F182 HydrophobicContact CD1-CZ 4.3Å; L102-F182 HydrophobicContact CG-CD2 4.47Å; R103-F182 HydrophobicContact CG-CB 4.48Å; R103-F182 WeakPolarHBondContact CG-O 3.39Å; Q180-F182 HydrophobicContact CB-CD1 4.12Å; Q180-F182 HydrophobicContact CB-CE1 3.76Å; Q180-F182 HydrophobicContact CB-CE2 4.48Å; Q180-F182 HydrophobicContact CB-CZ 3.95Å; Q180-F182 HydrophobicContact CG-CE1 4.36Å; Q180-F182 HydrophobicContact CG-CZ 4.29Å; Q180-F182 PolarHBondContact O-N 2.82Å; Q180-F182 VanDerWaalsContact O-N 3.1Å
183E95.6Very high94.7Very high4 Ų431.6 Ų31.62%0.01915%0.149CC..  trans-93.9148.4178.7-62.5-170.7-110.200111.6Q138 T139 R177 L179 Q180 E181 P185 S188Q138-E183 CarbonylContact C-O 3.59Å; Q138-E183 WeakPolarHBondContact CA-O 3.43Å; T139-E183 PolarHBondContact N-O 3.36Å; T139-E183 PolarHBondContact OG1-O 3.33Å; T139-E183 VanDerWaalsContact OG1-O 3.06Å; R177-E183 IonicContact CZ-OE1 2.69Å; R177-E183 IonicContact CZ-OE2 2.86Å; R177-E183 IonicContact NH1-OE1 2.78Å; R177-E183 PolarHBondContact NH1-OE1 3.3Å; R177-E183 IonicContact NH1-OE2 3.16Å; R177-E183 PolarHBondContact NH1-OE2 3.03Å; R177-E183 IonicContact NH2-OE2 2.76Å; R177-E183 PolarHBondContact NH2-OE2 2.96Å; L179-E183 WeakPolarHBondContact CA-OE1 3.4Å; Q180-E183 HydrophobicContact CB-CG 4.1Å; Q180-E183 WeakPolarHBondContact CG-OE1 3.3Å; Q180-E183 PolarHBondContact N-OE1 2.95Å; Q180-E183 WeakPolarHBondContact O-CB 3.41Å; Q180-E183 PolarHBondContact O-N 2.89Å; E181-E183 VanDerWaalsContact C-N 3.31Å; E181-E183 PolarHBondContact O-N 3.42Å; E183-P185 WeakPolarHBondContact O-CD 3.36Å; E183-S188 PolarHBondContact OE2-OG 2.82Å
184L97.5Very high94.6Very high1 Ų133.1 Ų33.11%0.00516%0.16CC..  trans-96.1106171.4-54.9-179.7000108.4R103 Q107 S136 D137 Y186 V187 S188R103-L184 HydrophobicContact CB-CD2 4.15Å; R103-L184 HydrophobicContact CB-CG 4.46Å; R103-L184 HydrophobicContact CG-CD2 3.93Å; R103-L184 HydrophobicContact CG-CG 4.43Å; Q107-L184 HydrophobicContact CB-CD1 3.83Å; Q107-L184 HydrophobicContact CG-CD1 4.39Å; S136-L184 VanDerWaalsContact O-CD2 3.25Å; S136-L184 WeakPolarHBondContact O-CD2 3.49Å; D137-L184 WeakPolarHBondContact O-CD2 3.5Å; L184-Y186 VanDerWaalsContact C-N 3.32Å; L184-Y186 PolarHBondContact O-N 2.9Å; L184-V187 HydrophobicContact CB-CB 3.94Å; L184-V187 HydrophobicContact CB-CG2 3.84Å; L184-V187 HydrophobicContact CD1-CG2 3.93Å; L184-V187 PolarHBondContact O-N 2.93Å; L184-S188 WeakPolarHBondContact O-CB 3.3Å; L184-S188 PolarHBondContact O-N 2.9Å; L184-S188 PolarHBondContact O-OG 3.23Å
185P97.8Very high94.4Very high0 Ų040.4 Ų40.40%019%0.193CC..Hα-helixtrans-58.4-40.8-173.5-29.739.2000113.6L119 D137 V142 L162 L179 E183 S188 V189 I199L119-P185 HydrophobicContact CD2-CB 4.37Å; D137-P185 VanDerWaalsContact O-CD 3.32Å; D137-P185 WeakPolarHBondContact O-CD 3.43Å; V142-P185 HydrophobicContact CB-CB 4.47Å; V142-P185 HydrophobicContact CB-CG 3.96Å; V142-P185 HydrophobicContact CG1-CB 4.33Å; V142-P185 HydrophobicContact CG1-CG 4.31Å; V142-P185 HydrophobicContact CG2-CB 4.14Å; V142-P185 HydrophobicContact CG2-CG 3.71Å; L162-P185 HydrophobicContact CD1-CG 4.48Å; L179-P185 HydrophobicContact CD1-CB 3.8Å; L179-P185 HydrophobicContact CD1-CG 3.96Å; E183-P185 WeakPolarHBondContact O-CD 3.36Å; P185-S188 PolarHBondContact O-N 2.88Å; P185-V189 PolarHBondContact O-N 2.77Å; P185-V189 VanDerWaalsContact O-N 3.11Å; P185-I199 HydrophobicContact CB-CD1 4.13Å
186Y97.6Very high94.4Very high54 Ų5443.9 Ų43.921%0.21221%0.21CC..Hα-helixtrans-59.5-50.7177-180-95.4000111.7V112 V117 L119 T135 L184 S188 V189 T190V112-Y186 HydrophobicContact CG1-CD1 4.4Å; V112-Y186 HydrophobicContact CG1-CE1 4.2Å; V117-Y186 HydrophobicContact CB-CD2 4.28Å; V117-Y186 HydrophobicContact CB-CE2 3.89Å; V117-Y186 HydrophobicContact CG1-CE2 4Å; V117-Y186 HydrophobicContact CG2-CD2 3.57Å; V117-Y186 HydrophobicContact CG2-CE2 3.7Å; V117-Y186 HydrophobicContact CG2-CG 4.09Å; L119-Y186 HydrophobicContact CD1-CD2 4.31Å; T135-Y186 HydrophobicContact CG2-CD1 3.49Å; T135-Y186 VanDerWaalsContact CG2-CD1 3.49Å; T135-Y186 HydrophobicContact CG2-CE1 3.38Å; T135-Y186 HydrophobicContact CG2-CG 4.15Å; L184-Y186 VanDerWaalsContact C-N 3.32Å; L184-Y186 PolarHBondContact O-N 2.9Å; Y186-S188 VanDerWaalsContact C-N 3.3Å; Y186-S188 PolarHBondContact O-N 2.97Å; Y186-V189 WeakPolarHBondContact O-CG1 3.49Å; Y186-V189 PolarHBondContact O-N 2.98Å; Y186-T190 HydrophobicContact CD1-CG2 4.35Å; Y186-T190 HydrophobicContact CD2-CG2 4.21Å; Y186-T190 HydrophobicContact CE1-CG2 4.05Å; Y186-T190 HydrophobicContact CE2-CG2 3.89Å; Y186-T190 HydrophobicContact CG-CG2 4.44Å; Y186-T190 WeakPolarHBondContact O-CB 3.46Å; Y186-T190 VanDerWaalsContact O-CG2 3.3Å; Y186-T190 WeakPolarHBondContact O-CG2 3.49Å; Y186-T190 PolarHBondContact O-N 3.46Å; Y186-T190 PolarHBondContact O-OG1 2.86Å
187V96.3Very high94.6Very high1 Ų144 Ų441%0.00621%0.206CC..Hα-helixtrans-63.9-38.6178.4-177.90000111Q106 Q110 V112 L184 V189 S191Q106-V187 HydrophobicContact CG-CG1 4.07Å; Q110-V187 HydrophobicContact CB-CG1 3.76Å; Q110-V187 HydrophobicContact CG-CG1 3.48Å; Q110-V187 VanDerWaalsContact CG-CG1 3.48Å; V112-V187 HydrophobicContact CB-CG2 4.24Å; V112-V187 HydrophobicContact CG1-CG2 4.25Å; V112-V187 HydrophobicContact CG2-CG2 4.35Å; L184-V187 HydrophobicContact CB-CB 3.94Å; L184-V187 HydrophobicContact CB-CG2 3.84Å; L184-V187 HydrophobicContact CD1-CG2 3.93Å; L184-V187 PolarHBondContact O-N 2.93Å; V187-V189 PolarHBondContact O-N 3.06Å; V187-S191 WeakPolarHBondContact O-CB 3.23Å; V187-S191 PolarHBondContact O-N 3.38Å; V187-S191 PolarHBondContact O-OG 2.93Å
188S95.8Very high94.7Very high3 Ų344.8 Ų44.82%0.02121%0.21CC..Hα-helixtrans-62.5-40-178.2-62.70000112.8Q106 E183 L184 P185 Y186 S191Q106-S188 PolarHBondContact NE2-OG 2.85Å; E183-S188 PolarHBondContact OE2-OG 2.82Å; L184-S188 WeakPolarHBondContact O-CB 3.3Å; L184-S188 PolarHBondContact O-N 2.9Å; L184-S188 PolarHBondContact O-OG 3.23Å; P185-S188 PolarHBondContact O-N 2.88Å; Y186-S188 VanDerWaalsContact C-N 3.3Å; Y186-S188 PolarHBondContact O-N 2.97Å; S188-S191 PolarHBondContact O-OG 3.35Å
189V96.1Very high94.9Very high19 Ų1943.3 Ų43.312%0.11520%0.204CC..Hα-helixtrans-83.2-41.4177.769.40000112.4L119 L164 P185 Y186 V187 L192 Y197 I199L119-V189 HydrophobicContact CD1-CG1 4.37Å; L164-V189 HydrophobicContact CD1-CB 4.31Å; L164-V189 HydrophobicContact CD1-CG2 4.22Å; P185-V189 PolarHBondContact O-N 2.77Å; P185-V189 VanDerWaalsContact O-N 3.11Å; Y186-V189 WeakPolarHBondContact O-CG1 3.49Å; Y186-V189 PolarHBondContact O-N 2.98Å; V187-V189 PolarHBondContact O-N 3.06Å; V189-L192 PolarHBondContact O-N 3.46Å; V189-Y197 VanDerWaalsContact CG2-O 3.25Å; V189-Y197 WeakPolarHBondContact CG2-O 3.47Å; V189-I199 HydrophobicContact CB-CD1 4.1Å; V189-I199 HydrophobicContact CB-CG1 4.23Å; V189-I199 HydrophobicContact CG1-CD1 4.4Å; V189-I199 HydrophobicContact CG1-CG1 4.24Å
190T94.4Very high95Very high55 Ų5543.2 Ų43.234%0.33720%0.203SC..Hα-helixtrans-72.6-32.5-175.3540000113.4Y186 L192 R193Y186-T190 HydrophobicContact CD1-CG2 4.35Å; Y186-T190 HydrophobicContact CD2-CG2 4.21Å; Y186-T190 HydrophobicContact CE1-CG2 4.05Å; Y186-T190 HydrophobicContact CE2-CG2 3.89Å; Y186-T190 HydrophobicContact CG-CG2 4.44Å; Y186-T190 WeakPolarHBondContact O-CB 3.46Å; Y186-T190 VanDerWaalsContact O-CG2 3.3Å; Y186-T190 WeakPolarHBondContact O-CG2 3.49Å; Y186-T190 PolarHBondContact O-N 3.46Å; Y186-T190 PolarHBondContact O-OG1 2.86Å; T190-L192 PolarHBondContact O-N 3.16Å; T190-L192 VanDerWaalsContact O-N 3.13Å; T190-R193 PolarHBondContact O-N 3.24Å
191S91.6Very high95.3Very high37 Ų3742.3 Ų42.326%0.25920%0.199SC..THydrogen-bonded Turntrans-62-20176.960.90000113.7V187 S188 R193V187-S191 WeakPolarHBondContact O-CB 3.23Å; V187-S191 PolarHBondContact O-N 3.38Å; V187-S191 PolarHBondContact O-OG 2.93Å; S188-S191 PolarHBondContact O-OG 3.35Å; S191-R193 PolarHBondContact O-N 3.35Å
192L91.3Very high95.7Very high33 Ų3339.1 Ų39.117%0.17318%0.183CC..THydrogen-bonded Turntrans-75.4-14.2175.7-62.9170.8000113L164 V189 T190 S194 Y197L164-L192 HydrophobicContact CD1-CD1 4.05Å; L164-L192 HydrophobicContact CD2-CD1 3.87Å; L164-L192 HydrophobicContact CG-CD1 4.46Å; V189-L192 PolarHBondContact O-N 3.46Å; T190-L192 PolarHBondContact O-N 3.16Å; T190-L192 VanDerWaalsContact O-N 3.13Å; L192-S194 PolarHBondContact O-N 2.89Å; L192-S194 VanDerWaalsContact O-N 3.13Å; L192-Y197 HydrophobicContact CB-CD2 3.91Å; L192-Y197 HydrophobicContact CB-CE2 4.31Å; L192-Y197 HydrophobicContact CB-CG 4.27Å; L192-Y197 HydrophobicContact CD1-CD1 3.54Å; L192-Y197 HydrophobicContact CD1-CD2 3.89Å; L192-Y197 HydrophobicContact CD1-CE1 4.04Å; L192-Y197 HydrophobicContact CD1-CE2 4.38Å; L192-Y197 HydrophobicContact CD1-CG 3.44Å; L192-Y197 VanDerWaalsContact CD1-CG 3.44Å; L192-Y197 HydrophobicContact CG-CD2 4.49Å; L192-Y197 HydrophobicContact CG-CG 4.46Å
193R91.1Very high95.9Very high231 Ų23139.7 Ų39.787%0.87219%0.186SC*.  trans50.636.3176.8-58-177.9179.4-173.3-1.7113.4T190 S191T190-R193 PolarHBondContact O-N 3.24Å; S191-R193 PolarHBondContact O-N 3.35Å
194S93.5Very high96Very high40 Ų4040.3 Ų40.328%0.2819%0.191SC..  trans-142.6135.5178.2166.40000110.2L192 E196 Y197L192-S194 PolarHBondContact O-N 2.89Å; L192-S194 VanDerWaalsContact O-N 3.13Å; S194-E196 PolarHBondContact O-N 2.95Å; S194-E196 PolarHBondContact OG-N 3.45Å; S194-Y197 PolarHBondContact O-N 3.06Å
195Q92.6Very high95.9Very high164 Ų16440.7 Ų40.777%0.76619%0.192SC*.THydrogen-bonded Turntrans-73.6-13.2179.2-66.1-62.5-2800113.1Y197 K198Q195-Y197 PolarHBondContact O-N 3.39Å; Q195-K198 WeakPolarHBondContact O-CE 3.47Å; Q195-K198 PolarHBondContact O-NZ 2.86Å
196E96.1Very high95.8Very high78 Ų7842.1 Ų42.136%0.36420%0.198SC..THydrogen-bonded Turntrans-69.6-22.9177-58.6179.5157.500112.1R166 E167 S194R166-E196 CarbonylContact C-O 3.55Å; R166-E196 WeakPolarHBondContact CA-O 3.31Å; R166-E196 HydrophobicContact CG-CB 4.12Å; R166-E196 IonicContact CZ-OE1 3.75Å; R166-E196 IonicContact CZ-OE2 3.97Å; R166-E196 IonicContact NE-OE2 3.85Å; R166-E196 PolarHBondContact NE-OE2 3.33Å; R166-E196 IonicContact NH2-OE1 3.66Å; R166-E196 PolarHBondContact NH2-OE1 2.98Å; R166-E196 IonicContact NH2-OE2 2.99Å; R166-E196 PolarHBondContact NH2-OE2 3.37Å; E167-E196 PolarHBondContact N-O 3.3Å; S194-E196 PolarHBondContact O-N 2.95Å; S194-E196 PolarHBondContact OG-N 3.45Å
197Y97.1Very high95.7Very high44 Ų4442.2 Ų42.217%0.17320%0.202CC..EExtended strand (participates in β ladder)trans-88.1131.5-179.1-65.6-87.1000110.9V165 R166 V176 V189 L192 S194 Q195V165-Y197 CarbonylContact O-C 3.53Å; V165-Y197 VanDerWaalsContact O-CA 3.26Å; V165-Y197 WeakPolarHBondContact O-CA 3.45Å; R166-Y197 HydrophobicContact CB-CD1 4.11Å; R166-Y197 HydrophobicContact CB-CE1 3.95Å; R166-Y197 HydrophobicContact CG-CE1 4.38Å; V176-Y197 HydrophobicContact CG2-CD1 4.26Å; V176-Y197 HydrophobicContact CG2-CE1 4.05Å; V189-Y197 VanDerWaalsContact CG2-O 3.25Å; V189-Y197 WeakPolarHBondContact CG2-O 3.47Å; L192-Y197 HydrophobicContact CB-CD2 3.91Å; L192-Y197 HydrophobicContact CB-CE2 4.31Å; L192-Y197 HydrophobicContact CB-CG 4.27Å; L192-Y197 HydrophobicContact CD1-CD1 3.54Å; L192-Y197 HydrophobicContact CD1-CD2 3.89Å; L192-Y197 HydrophobicContact CD1-CE1 4.04Å; L192-Y197 HydrophobicContact CD1-CE2 4.38Å; L192-Y197 HydrophobicContact CD1-CG 3.44Å; L192-Y197 VanDerWaalsContact CD1-CG 3.44Å; L192-Y197 HydrophobicContact CG-CD2 4.49Å; L192-Y197 HydrophobicContact CG-CG 4.46Å; S194-Y197 PolarHBondContact O-N 3.06Å; Q195-Y197 PolarHBondContact O-N 3.39Å
198K97.9Very high95.7Very high35 Ų3544.4 Ų44.415%0.15222%0.217CC..EExtended strand (participates in β ladder)trans-131.5158.1-175.2-53.7-64.4-177.4-167.10110.7L122 V165 E167 Q195L122-K198 HydrophobicContact CD1-CB 3.86Å; L122-K198 HydrophobicContact CD1-CD 4.21Å; L122-K198 HydrophobicContact CD1-CG 3.78Å; L122-K198 HydrophobicContact CG-CB 4.42Å; V165-K198 HydrophobicContact CG2-CB 3.92Å; V165-K198 PolarHBondContact N-O 2.83Å; V165-K198 PolarHBondContact O-N 3.08Å; E167-K198 HydrophobicContact CB-CG 4.23Å; E167-K198 WeakPolarHBondContact OE2-CE 3.46Å; Q195-K198 WeakPolarHBondContact O-CE 3.47Å; Q195-K198 PolarHBondContact O-NZ 2.86Å
199I98.6Very high95.7Very high2 Ų246.7 Ų46.71%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-96.3129.5167.3-53.6-79.7000107.4V121 L122 L162 F163 L179 P185 V189V121-I199 HydrophobicContact CG1-CG2 4.18Å; V121-I199 HydrophobicContact CG2-CB 4.28Å; V121-I199 HydrophobicContact CG2-CG2 4.01Å; L122-I199 PolarHBondContact N-O 3.33Å; L162-I199 HydrophobicContact CB-CG2 4.07Å; L162-I199 HydrophobicContact CD1-CG2 4.48Å; L162-I199 HydrophobicContact CD2-CG2 4.07Å; L162-I199 HydrophobicContact CG-CG2 4.43Å; F163-I199 CarbonylContact O-C 3.46Å; F163-I199 WeakPolarHBondContact O-CA 3.39Å; L179-I199 HydrophobicContact CD1-CD1 3.66Å; L179-I199 HydrophobicContact CD1-CG2 4.47Å; P185-I199 HydrophobicContact CB-CD1 4.13Å; V189-I199 HydrophobicContact CB-CD1 4.1Å; V189-I199 HydrophobicContact CB-CG1 4.23Å; V189-I199 HydrophobicContact CG1-CD1 4.4Å; V189-I199 HydrophobicContact CG1-CG1 4.24Å
200V98.6Very high95.6Very high0 Ų047.1 Ų47.10%024%0.236CC..EExtended strand (participates in β ladder)trans-120.6133.1178.6171.90000110.8L122 L162 F163 V165 F173 F175L122-V200 HydrophobicContact CB-CG2 4.1Å; L122-V200 CarbonylContact O-C 3.46Å; L122-V200 VanDerWaalsContact O-CA 3.22Å; L122-V200 WeakPolarHBondContact O-CA 3.26Å; L162-V200 CarbonylContact C-O 3.58Å; L162-V200 WeakPolarHBondContact CA-O 3.35Å; F163-V200 PolarHBondContact N-O 3.23Å; F163-V200 PolarHBondContact O-N 2.85Å; V165-V200 HydrophobicContact CB-CG2 4.34Å; V165-V200 HydrophobicContact CG1-CB 4.08Å; V165-V200 HydrophobicContact CG1-CG2 3.87Å; V165-V200 HydrophobicContact CG2-CB 4.48Å; V165-V200 HydrophobicContact CG2-CG2 3.47Å; V165-V200 VanDerWaalsContact CG2-CG2 3.47Å; F173-V200 HydrophobicContact CD2-CG2 4.06Å; F173-V200 HydrophobicContact CE2-CG2 4.01Å; F173-V200 HydrophobicContact CG-CG2 4.45Å; F173-V200 HydrophobicContact CZ-CG2 4.35Å; F175-V200 HydrophobicContact CZ-CG1 4.48Å
201L98.8Very high95.8Very high7 Ų744.5 Ų44.54%0.03722%0.22CC..EExtended strand (participates in β ladder)trans-83.8127165.3-175.275.2000109.8V121 L122 L123 L143 V146 L150 F160 L162 L223V121-L201 HydrophobicContact CG1-CB 4.14Å; L122-L201 PolarHBondContact O-N 2.78Å; L123-L201 HydrophobicContact CD2-CB 4.19Å; L123-L201 HydrophobicContact CD2-CD2 3.87Å; L143-L201 HydrophobicContact CD1-CD1 3.45Å; L143-L201 VanDerWaalsContact CD1-CD1 3.45Å; V146-L201 HydrophobicContact CG1-CD1 4.37Å; V146-L201 HydrophobicContact CG1-CD2 3.86Å; L150-L201 HydrophobicContact CD1-CD2 3.77Å; F160-L201 HydrophobicContact CB-CD1 3.81Å; F160-L201 HydrophobicContact CB-CG 4.4Å; F160-L201 HydrophobicContact CD1-CG 4.41Å; L162-L201 HydrophobicContact CD2-CB 4.44Å; L162-L201 HydrophobicContact CD2-CD1 4Å; L201-L223 HydrophobicContact CD2-CD1 4.41Å; L201-L223 HydrophobicContact CD2-CD2 4.43Å
202R98.5Very high96Very high13 Ų1346 Ų465%0.04923%0.225CC..EExtended strand (participates in β ladder)trans-146.9153.4176.6-168.1179.517185.2-0.4111.2F160 S161 F163 Q227 D231F160-R202 WeakPolarHBondContact CA-O 3.35Å; S161-R202 PolarHBondContact N-O 2.74Å; S161-R202 PolarHBondContact O-N 3.29Å; S161-R202 VanDerWaalsContact O-N 3.12Å; F163-R202 HydrophobicContact CD2-CB 3.89Å; F163-R202 HydrophobicContact CE2-CB 3.76Å; R202-Q227 HydrophobicContact CG-CG 4.4Å; R202-D231 IonicContact CZ-OD1 2.64Å; R202-D231 IonicContact CZ-OD2 3.75Å; R202-D231 IonicContact NH1-OD1 2.73Å; R202-D231 PolarHBondContact NH1-OD1 2.82Å; R202-D231 IonicContact NH1-OD2 2.67Å; R202-D231 PolarHBondContact NH1-OD2 2.89Å; R202-D231 IonicContact NH2-OD1 3.8Å; R202-D231 PolarHBondContact NH2-OD1 3.22Å; R202-D231 IonicContact NH2-OD2 3.02Å; R202-D231 PolarHBondContact NH2-OD2 3.31Å
203K97.6Very high96.2Very high12 Ų1245.7 Ų45.75%0.05222%0.224CC..EExtended strand (participates in β ladder)trans-56.7142.7169.194.7-177.9-162.6169.80110F160 Y205 D211 L224 Q227 Y269F160-K203 HydrophobicContact CD1-CB 4.41Å; F160-K203 HydrophobicContact CE1-CB 4.29Å; K203-Y205 HydrophobicContact CB-CD1 4.42Å; K203-Y205 HydrophobicContact CB-CE1 3.88Å; K203-Y205 HydrophobicContact CD-CE1 4.21Å; K203-Y205 HydrophobicContact CD-CE2 4.08Å; K203-Y205 HydrophobicContact CG-CE1 4.23Å; K203-D211 IonicContact NZ-OD1 2.92Å; K203-D211 PolarHBondContact NZ-OD1 3.42Å; K203-D211 IonicContact NZ-OD2 2.79Å; K203-L224 HydrophobicContact CB-CD2 3.96Å; K203-L224 HydrophobicContact CD-CD2 3.53Å; K203-L224 HydrophobicContact CG-CD2 4.38Å; K203-Q227 VanDerWaalsContact N-OE1 3.1Å; K203-Y269 PolarHBondContact NZ-OH 2.69Å
204S96.6Very high96.5Very high18 Ų1834.7 Ų34.713%0.12618%0.182CC..  trans-126.917.3-166.869.20000114.9Y159 F160 S161Y159-S204 PolarHBondContact O-N 2.89Å; Y159-S204 PolarHBondContact O-OG 2.95Å; Y159-S204 VanDerWaalsContact O-OG 3.1Å; F160-S204 PolarHBondContact O-OG 3.28Å; S161-S204 WeakPolarHBondContact OG-CB 3.19Å; S161-S204 PolarHBondContact OG-OG 3.35Å; S161-S204 VanDerWaalsContact OG-OG 3.13Å
205Y96.3Very high96.7Very high8 Ų833.2 Ų33.23%0.03117%0.171CC..  trans-116.8160.2174.559-93.5000110.7Y159 K203 D207 Y210 D211 V214 L224Y159-Y205 AromaticContact CD1-CD1 3.79Å; Y159-Y205 HydrophobicContact CD1-CD1 3.79Å; Y159-Y205 AromaticContact CD1-CE1 3.72Å; Y159-Y205 HydrophobicContact CD1-CE1 3.72Å; Y159-Y205 HydrophobicContact CG-CD1 4.37Å; Y159-Y205 HydrophobicContact CG-CE1 4.28Å; Y159-Y205 WeakPolarHBondContact O-CD1 2.99Å; K203-Y205 HydrophobicContact CB-CD1 4.42Å; K203-Y205 HydrophobicContact CB-CE1 3.88Å; K203-Y205 HydrophobicContact CD-CE1 4.21Å; K203-Y205 HydrophobicContact CD-CE2 4.08Å; K203-Y205 HydrophobicContact CG-CE1 4.23Å; Y205-D207 VanDerWaalsContact CD2-O 3.3Å; Y205-D207 WeakPolarHBondContact CD2-O 3.38Å; Y205-Y210 AromaticContact CD2-CD2 3.85Å; Y205-Y210 HydrophobicContact CD2-CD2 3.85Å; Y205-Y210 HydrophobicContact CD2-CG 4.26Å; Y205-Y210 HydrophobicContact CG-CD2 4.09Å; Y205-D211 WeakPolarHBondContact CE2-OD1 3.25Å; Y205-D211 VanDerWaalsContact CZ-OD1 3.28Å; Y205-D211 PolarHBondContact OH-OD1 2.95Å; Y205-V214 HydrophobicContact CE1-CG2 4.12Å; Y205-L224 WeakPolarHBondContact OH-CD2 3.45Å
206W96.4Very high96.9Very high30 Ų3032.9 Ų32.911%0.11417%0.169CC..SBendtrans-104.3-39.6-171.9-57.5100.5000113.6A292 C375 S378 M379 E382W206-A292 HydrophobicContact CH2-CB 4.47Å; W206-A292 HydrophobicContact CZ3-CB 4.49Å; W206-A292 WeakPolarHBondContact CZ3-O 3.44Å; W206-C375 HydrophobicContact CH2-CB 3.69Å; W206-C375 HydrophobicContact CZ2-CB 3.87Å; W206-S378 VanDerWaalsContact NE1-CB 3.35Å; W206-S378 PolarHBondContact NE1-OG 2.69Å; W206-M379 HydrophobicContact CB-CG 4.43Å; W206-M379 HydrophobicContact CD2-CG 3.5Å; W206-M379 VanDerWaalsContact CD2-CG 3.5Å; W206-M379 HydrophobicContact CD2-SD 4.26Å; W206-M379 HydrophobicContact CE3-CG 4.14Å; W206-M379 HydrophobicContact CE3-SD 4.33Å; W206-M379 HydrophobicContact CG-CG 3.61Å; W206-M379 HydrophobicContact CZ2-CG 4.15Å; W206-E382 WeakPolarHBondContact CB-OE2 3.45Å; W206-E382 PolarHBondContact N-OE2 2.96Å
207D95.1Very high97Very high57 Ų5731.3 Ų31.331%0.30516%0.163SC..  trans-78.3124.6179.2-172.5-12.3000112.2Y205 A209 Y210 E382 K386Y205-D207 VanDerWaalsContact CD2-O 3.3Å; Y205-D207 WeakPolarHBondContact CD2-O 3.38Å; D207-A209 PolarHBondContact O-N 3.3Å; D207-A209 VanDerWaalsContact OD1-CB 3.3Å; D207-A209 WeakPolarHBondContact OD1-CB 3.44Å; D207-A209 PolarHBondContact OD1-N 3.09Å; D207-Y210 HydrophobicContact CB-CD2 4.03Å; D207-Y210 HydrophobicContact CB-CE2 3.93Å; D207-Y210 WeakPolarHBondContact O-CD2 3.29Å; D207-Y210 PolarHBondContact O-N 3.4Å; D207-E382 WeakPolarHBondContact CB-OE1 3.48Å; D207-E382 PolarHBondContact N-OE1 3.34Å; D207-E382 VanDerWaalsContact N-OE1 3.09Å; D207-K386 VanDerWaalsContact CG-NZ 3.27Å; D207-K386 WeakPolarHBondContact OD2-CE 3.5Å; D207-K386 IonicContact OD2-NZ 3.57Å; D207-K386 PolarHBondContact OD2-NZ 2.63Å
208S96.2Very high97Very high47 Ų4738.9 Ų38.933%0.32919%0.191SC..G310 helixtrans-67.4-14.6179.254.20000113.4Y210 D211S208-Y210 PolarHBondContact O-N 3.12Å; S208-D211 WeakPolarHBondContact CA-OD2 3.42Å; S208-D211 WeakPolarHBondContact CB-OD2 3.44Å; S208-D211 WeakPolarHBondContact O-CB 3.22Å; S208-D211 VanDerWaalsContact O-CG 3.3Å; S208-D211 PolarHBondContact O-N 3.15Å
209A94.8Very high97Very high50 Ų5038.4 Ų38.441%0.41319%0.192SC..G310 helixtrans-55.8-31170.200000112D207 D211 D212D207-A209 PolarHBondContact O-N 3.3Å; D207-A209 VanDerWaalsContact OD1-CB 3.3Å; D207-A209 WeakPolarHBondContact OD1-CB 3.44Å; D207-A209 PolarHBondContact OD1-N 3.09Å; A209-D211 VanDerWaalsContact C-N 3.26Å; A209-D211 PolarHBondContact O-N 3.2Å; A209-D212 WeakPolarHBondContact O-CB 3.21Å; A209-D212 PolarHBondContact O-N 2.97Å
210Y95.3Very high97Very high29 Ų2938.3 Ų38.311%0.11419%0.191CC..G310 helixtrans-74.7-13.2176.7-58.9-43.6000114.1Y205 D207 S208 D212 D213 V214 E382 K386 I392Y205-Y210 AromaticContact CD2-CD2 3.85Å; Y205-Y210 HydrophobicContact CD2-CD2 3.85Å; Y205-Y210 HydrophobicContact CD2-CG 4.26Å; Y205-Y210 HydrophobicContact CG-CD2 4.09Å; D207-Y210 HydrophobicContact CB-CD2 4.03Å; D207-Y210 HydrophobicContact CB-CE2 3.93Å; D207-Y210 WeakPolarHBondContact O-CD2 3.29Å; D207-Y210 PolarHBondContact O-N 3.4Å; S208-Y210 PolarHBondContact O-N 3.12Å; Y210-D212 PolarHBondContact O-N 3.08Å; Y210-D213 PolarHBondContact O-N 3.48Å; Y210-V214 PolarHBondContact O-N 3.06Å; Y210-E382 HydrophobicContact CE2-CG 4.25Å; Y210-E382 WeakPolarHBondContact CE2-OE1 3.17Å; Y210-K386 WeakPolarHBondContact OH-CE 3.5Å; Y210-I392 HydrophobicContact CD1-CG2 3.57Å; Y210-I392 HydrophobicContact CD2-CG2 4.46Å; Y210-I392 HydrophobicContact CE1-CB 3.8Å; Y210-I392 HydrophobicContact CE1-CG1 4.4Å; Y210-I392 HydrophobicContact CE1-CG2 3.17Å; Y210-I392 HydrophobicContact CE2-CB 4.22Å; Y210-I392 HydrophobicContact CE2-CD1 4.32Å; Y210-I392 HydrophobicContact CE2-CG1 3.93Å; Y210-I392 HydrophobicContact CE2-CG2 4.1Å; Y210-I392 HydrophobicContact CG-CG2 4.21Å; Y210-I392 VanDerWaalsContact CZ-CG2 3.44Å; Y210-I392 WeakPolarHBondContact OH-CB 3.01Å
211D97.8Very high97Very high0 Ų039.5 Ų39.50%020%0.197CC..Hα-helixtrans-62.7-28.4171.3-60-33.6000110.8K203 Y205 S208 A209 D213 V214 M215 L224 Q264 Y269K203-D211 IonicContact NZ-OD1 2.92Å; K203-D211 PolarHBondContact NZ-OD1 3.42Å; K203-D211 IonicContact NZ-OD2 2.79Å; Y205-D211 WeakPolarHBondContact CE2-OD1 3.25Å; Y205-D211 VanDerWaalsContact CZ-OD1 3.28Å; Y205-D211 PolarHBondContact OH-OD1 2.95Å; S208-D211 WeakPolarHBondContact CA-OD2 3.42Å; S208-D211 WeakPolarHBondContact CB-OD2 3.44Å; S208-D211 WeakPolarHBondContact O-CB 3.22Å; S208-D211 VanDerWaalsContact O-CG 3.3Å; S208-D211 PolarHBondContact O-N 3.15Å; A209-D211 VanDerWaalsContact C-N 3.26Å; A209-D211 PolarHBondContact O-N 3.2Å; D211-D213 PolarHBondContact O-N 3.46Å; D211-V214 PolarHBondContact O-N 3.18Å; D211-M215 HydrophobicContact CB-SD 3.94Å; D211-M215 WeakPolarHBondContact O-CB 3.34Å; D211-M215 WeakPolarHBondContact O-CG 3.34Å; D211-M215 PolarHBondContact O-N 2.93Å; D211-L224 HydrophobicContact CB-CD1 4.02Å; D211-Q264 PolarHBondContact OD2-NE2 2.98Å; D211-Y269 VanDerWaalsContact OD2-CE1 3.27Å; D211-Y269 WeakPolarHBondContact OD2-CE1 3.45Å; D211-Y269 PolarHBondContact OD2-OH 2.92Å
212D96.4Very high97Very high67 Ų6741.5 Ų41.536%0.35821%0.208SC..Hα-helixtrans-57.9-48.7178.3-71.5-16.9000111.4A209 Y210 V214 M215 E216 R261A209-D212 WeakPolarHBondContact O-CB 3.21Å; A209-D212 PolarHBondContact O-N 2.97Å; Y210-D212 PolarHBondContact O-N 3.08Å; D212-V214 VanDerWaalsContact C-N 3.34Å; D212-V214 PolarHBondContact O-N 3.17Å; D212-M215 PolarHBondContact O-N 3.2Å; D212-E216 PolarHBondContact O-N 3.4Å; D212-R261 IonicContact OD1-CZ 2.67Å; D212-R261 IonicContact OD1-NH1 3.52Å; D212-R261 PolarHBondContact OD1-NH1 2.94Å; D212-R261 IonicContact OD1-NH2 3.11Å; D212-R261 PolarHBondContact OD1-NH2 2.77Å
213D95.5Very high97Very high28 Ų2841.7 Ų41.715%0.1521%0.21CC..Hα-helixtrans-58.5-45.7176.9-61-17.2000111.4Y159 Y210 D211 E216 R393Y159-D213 HydrophobicContact CE1-CB 3.98Å; Y159-D213 VanDerWaalsContact OH-CB 3.31Å; Y159-D213 WeakPolarHBondContact OH-CB 3.33Å; Y159-D213 PolarHBondContact OH-OD2 3.27Å; Y210-D213 PolarHBondContact O-N 3.48Å; D211-D213 PolarHBondContact O-N 3.46Å; D213-E216 PolarHBondContact O-N 2.91Å; D213-R393 IonicContact OD1-CZ 2.68Å; D213-R393 IonicContact OD1-NE 3.29Å; D213-R393 IonicContact OD1-NH2 2.72Å; D213-R393 PolarHBondContact OD1-NH2 3.39Å; D213-R393 IonicContact OD2-CZ 2.66Å; D213-R393 IonicContact OD2-NE 3.93Å; D213-R393 PolarHBondContact OD2-NE 2.98Å; D213-R393 IonicContact OD2-NH2 3.55Å; D213-R393 PolarHBondContact OD2-NH2 3.13Å
214V97.5Very high97Very high0 Ų041.1 Ų41.10%021%0.208CC..Hα-helixtrans-73-33.2-176-179.80000111.4Y159 F160 Y205 Y210 D211 D212 E216 N217 G220 L221 L224Y159-V214 HydrophobicContact CD1-CG2 3.42Å; Y159-V214 VanDerWaalsContact CD1-CG2 3.42Å; Y159-V214 HydrophobicContact CD2-CG2 4.3Å; Y159-V214 HydrophobicContact CE1-CG2 3.96Å; Y159-V214 HydrophobicContact CG-CG2 3.61Å; F160-V214 HydrophobicContact CE2-CG1 4.19Å; F160-V214 HydrophobicContact CZ-CG1 3.97Å; Y205-V214 HydrophobicContact CE1-CG2 4.12Å; Y210-V214 PolarHBondContact O-N 3.06Å; D211-V214 PolarHBondContact O-N 3.18Å; D212-V214 VanDerWaalsContact C-N 3.34Å; D212-V214 PolarHBondContact O-N 3.17Å; V214-E216 VanDerWaalsContact C-N 3.3Å; V214-E216 PolarHBondContact O-N 3.35Å; V214-N217 PolarHBondContact O-N 2.94Å; V214-G220 CarbonylContact O-C 3.48Å; V214-G220 WeakPolarHBondContact O-CA 3.47Å; V214-L221 PolarHBondContact O-N 2.97Å; V214-L224 HydrophobicContact CB-CD1 3.78Å; V214-L224 HydrophobicContact CB-CG 4.45Å; V214-L224 HydrophobicContact CG1-CD1 3.58Å; V214-L224 HydrophobicContact CG1-CD2 4.37Å; V214-L224 HydrophobicContact CG1-CG 3.73Å
215M97.8Very high97.1Very high8 Ų841.6 Ų41.64%0.03921%0.207CC..Hα-helixtrans-76.6-12.7-179.5-72.4168.660.600113.6D211 D212 N217 L221 L224 K257 L260D211-M215 HydrophobicContact CB-SD 3.94Å; D211-M215 WeakPolarHBondContact O-CB 3.34Å; D211-M215 WeakPolarHBondContact O-CG 3.34Å; D211-M215 PolarHBondContact O-N 2.93Å; D212-M215 PolarHBondContact O-N 3.2Å; M215-N217 VanDerWaalsContact C-N 3.25Å; M215-L221 HydrophobicContact CB-CD1 4.43Å; M215-L224 HydrophobicContact CG-CD1 3.96Å; M215-K257 HydrophobicContact CE-CG 3.66Å; M215-L260 HydrophobicContact CE-CB 3.94Å; M215-L260 HydrophobicContact CE-CD1 4.25Å; M215-L260 HydrophobicContact CG-CD1 4.06Å; M215-L260 HydrophobicContact SD-CB 4.17Å; M215-L260 HydrophobicContact SD-CD1 4.08Å
216E96.7Very high97.1Very high158 Ų15842.1 Ų42.174%0.73821%0.213SC*.THydrogen-bonded Turntrans-65.7-30.7171.8-75179.2177.200112D212 D213 V214D212-E216 PolarHBondContact O-N 3.4Å; D213-E216 PolarHBondContact O-N 2.91Å; V214-E216 VanDerWaalsContact C-N 3.3Å; V214-E216 PolarHBondContact O-N 3.35Å
217N97.8Very high97.2Very high44 Ų4441 Ų4124%0.23521%0.209CC..SBendtrans-96140.2176.3-179.4-86.8000111.8P153 L156 V214 M215 V219 G220 L221P153-N217 VanDerWaalsContact CG-ND2 3.3Å; P153-N217 WeakPolarHBondContact CG-ND2 3.35Å; L156-N217 HydrophobicContact CD1-CB 3.38Å; V214-N217 PolarHBondContact O-N 2.94Å; M215-N217 VanDerWaalsContact C-N 3.25Å; N217-V219 PolarHBondContact O-N 2.8Å; N217-V219 WeakPolarHBondContact OD1-CA 3.23Å; N217-V219 VanDerWaalsContact OD1-CB 3.31Å; N217-V219 WeakPolarHBondContact OD1-CB 3.29Å; N217-V219 PolarHBondContact OD1-N 3.4Å; N217-G220 PolarHBondContact O-N 2.85Å; N217-G220 PolarHBondContact OD1-N 3.39Å; N217-G220 VanDerWaalsContact OD1-N 3.1Å; N217-L221 VanDerWaalsContact O-CB 3.24Å; N217-L221 WeakPolarHBondContact O-CB 3.48Å; N217-L221 PolarHBondContact O-N 2.79Å
218R97.8Very high97.4Very high203 Ų20338.3 Ų38.377%0.76619%0.194SC*.Hα-helixtrans-61.7-41.6-179.6-177.5-179.4176.4-167.8-2.3113.1N222R218-N222 WeakPolarHBondContact O-CB 3.39Å; R218-N222 PolarHBondContact O-N 2.97Å; R218-N222 PolarHBondContact O-ND2 3.46Å; R218-N222 VanDerWaalsContact O-ND2 3.09Å
219V98Very high97.4Very high26 Ų2636.9 Ų36.916%0.15818%0.184CC..Hα-helixtrans-70.4-47.1179.5-179.90000109.9L150 D151 L152 N217 L221 N222 L223L150-V219 HydrophobicContact CB-CG1 4.37Å; L150-V219 WeakPolarHBondContact O-CG1 3.46Å; D151-V219 WeakPolarHBondContact O-CG2 3.33Å; L152-V219 HydrophobicContact CB-CG1 4.12Å; L152-V219 HydrophobicContact CD1-CB 4.32Å; L152-V219 HydrophobicContact CD1-CG1 4.04Å; N217-V219 PolarHBondContact O-N 2.8Å; N217-V219 WeakPolarHBondContact OD1-CA 3.23Å; N217-V219 VanDerWaalsContact OD1-CB 3.31Å; N217-V219 WeakPolarHBondContact OD1-CB 3.29Å; N217-V219 PolarHBondContact OD1-N 3.4Å; V219-L221 PolarHBondContact O-N 3.41Å; V219-N222 WeakPolarHBondContact O-CB 3.38Å; V219-N222 PolarHBondContact O-N 2.81Å; V219-N222 VanDerWaalsContact O-N 3.08Å; V219-L223 HydrophobicContact CG1-CD1 4.26Å; V219-L223 HydrophobicContact CG1-CG 4.47Å; V219-L223 WeakPolarHBondContact O-CG 3.35Å; V219-L223 PolarHBondContact O-N 2.92Å
220G98.3Very high97.4Very high0 Ų034.7 Ų34.70%017%0.165CC..Hα-helixtrans-54.5-49174.100000112.5V214 N217 N222 L223 L224V214-G220 CarbonylContact O-C 3.48Å; V214-G220 WeakPolarHBondContact O-CA 3.47Å; N217-G220 PolarHBondContact O-N 2.85Å; N217-G220 PolarHBondContact OD1-N 3.39Å; N217-G220 VanDerWaalsContact OD1-N 3.1Å; G220-N222 VanDerWaalsContact C-N 3.33Å; G220-N222 PolarHBondContact O-N 2.88Å; G220-L223 PolarHBondContact O-N 2.84Å; G220-L224 PolarHBondContact O-N 3.24Å
221L98.4Very high97.5Very high24 Ų2433.5 Ų33.513%0.12616%0.161CC..Hα-helixtrans-57.9-41.8174.5-177.4149.8000112.6V214 M215 N217 V219 Y225 K256 K257 L260V214-L221 PolarHBondContact O-N 2.97Å; M215-L221 HydrophobicContact CB-CD1 4.43Å; N217-L221 VanDerWaalsContact O-CB 3.24Å; N217-L221 WeakPolarHBondContact O-CB 3.48Å; N217-L221 PolarHBondContact O-N 2.79Å; V219-L221 PolarHBondContact O-N 3.41Å; L221-Y225 WeakPolarHBondContact O-CB 3.36Å; L221-Y225 PolarHBondContact O-N 3.22Å; L221-K256 HydrophobicContact CD2-CB 3.49Å; L221-K256 VanDerWaalsContact CD2-CB 3.49Å; L221-K256 HydrophobicContact CD2-CD 3.87Å; L221-K256 HydrophobicContact CD2-CG 4.34Å; L221-K257 HydrophobicContact CD1-CB 4.09Å; L221-K257 HydrophobicContact CD1-CG 4.44Å; L221-L260 HydrophobicContact CG-CD1 4.26Å
222N97.9Very high97.4Very high50 Ų5034.4 Ų34.427%0.26717%0.165SC..Hα-helixtrans-65.8-40177.5-71.9-29.7000112.3R218 V219 G220 Y225 A226 K256R218-N222 WeakPolarHBondContact O-CB 3.39Å; R218-N222 PolarHBondContact O-N 2.97Å; R218-N222 PolarHBondContact O-ND2 3.46Å; R218-N222 VanDerWaalsContact O-ND2 3.09Å; V219-N222 WeakPolarHBondContact O-CB 3.38Å; V219-N222 PolarHBondContact O-N 2.81Å; V219-N222 VanDerWaalsContact O-N 3.08Å; G220-N222 VanDerWaalsContact C-N 3.33Å; G220-N222 PolarHBondContact O-N 2.88Å; N222-Y225 PolarHBondContact O-N 2.85Å; N222-A226 WeakPolarHBondContact O-CB 3.48Å; N222-A226 PolarHBondContact O-N 3.2Å; N222-K256 WeakPolarHBondContact OD1-CD 3.25Å; N222-K256 PolarHBondContact OD1-NZ 3.15Å
223L98.4Very high97.3Very high17 Ų1737.9 Ų37.99%0.08918%0.18CC..Hα-helixtrans-65.4-47177.9-69.4173.9000111.3L123 L150 L152 F160 L201 V219 G220 Y225 A226 Q227L123-L223 HydrophobicContact CD1-CD2 3.99Å; L123-L223 HydrophobicContact CD2-CD2 3.91Å; L150-L223 HydrophobicContact CD1-CD2 4.23Å; L152-L223 HydrophobicContact CD1-CD1 4.19Å; L152-L223 HydrophobicContact CD2-CD1 4.27Å; F160-L223 HydrophobicContact CE1-CB 3.82Å; F160-L223 HydrophobicContact CE1-CD1 3.91Å; F160-L223 HydrophobicContact CE1-CG 4.49Å; F160-L223 HydrophobicContact CE2-CD1 4.19Å; F160-L223 HydrophobicContact CZ-CB 3.88Å; F160-L223 HydrophobicContact CZ-CD1 3.73Å; F160-L223 HydrophobicContact CZ-CG 4.47Å; L201-L223 HydrophobicContact CD2-CD1 4.41Å; L201-L223 HydrophobicContact CD2-CD2 4.43Å; V219-L223 HydrophobicContact CG1-CD1 4.26Å; V219-L223 HydrophobicContact CG1-CG 4.47Å; V219-L223 WeakPolarHBondContact O-CG 3.35Å; V219-L223 PolarHBondContact O-N 2.92Å; G220-L223 PolarHBondContact O-N 2.84Å; L223-Y225 VanDerWaalsContact C-N 3.33Å; L223-Y225 PolarHBondContact O-N 3.23Å; L223-A226 PolarHBondContact O-N 3.22Å; L223-Q227 WeakPolarHBondContact O-CB 3.41Å; L223-Q227 PolarHBondContact O-N 3.02Å
224L98.6Very high97.1Very high0 Ų039.8 Ų39.80%019%0.185CC..Hα-helixtrans-61.7-42.2175.1-69.1-173.9000112K203 Y205 D211 V214 M215 G220 Q227 T228 L260K203-L224 HydrophobicContact CB-CD2 3.96Å; K203-L224 HydrophobicContact CD-CD2 3.53Å; K203-L224 HydrophobicContact CG-CD2 4.38Å; Y205-L224 WeakPolarHBondContact OH-CD2 3.45Å; D211-L224 HydrophobicContact CB-CD1 4.02Å; V214-L224 HydrophobicContact CB-CD1 3.78Å; V214-L224 HydrophobicContact CB-CG 4.45Å; V214-L224 HydrophobicContact CG1-CD1 3.58Å; V214-L224 HydrophobicContact CG1-CD2 4.37Å; V214-L224 HydrophobicContact CG1-CG 3.73Å; M215-L224 HydrophobicContact CG-CD1 3.96Å; G220-L224 PolarHBondContact O-N 3.24Å; L224-Q227 PolarHBondContact O-N 2.85Å; L224-T228 VanDerWaalsContact O-CB 3.3Å; L224-T228 WeakPolarHBondContact O-CB 3.37Å; L224-T228 PolarHBondContact O-N 3.43Å; L224-T228 PolarHBondContact O-OG1 2.84Å; L224-L260 HydrophobicContact CB-CD1 3.98Å; L224-L260 HydrophobicContact CB-CD2 4.18Å
225Y98.1Very high96.9Very high28 Ų2841.3 Ų41.311%0.1120%0.2CC..Hα-helixtrans-61.5-51.1177.1176.3-94000111.6L221 N222 L223 Q227 T228 V229 Q251 K256 F259L221-Y225 WeakPolarHBondContact O-CB 3.36Å; L221-Y225 PolarHBondContact O-N 3.22Å; N222-Y225 PolarHBondContact O-N 2.85Å; L223-Y225 VanDerWaalsContact C-N 3.33Å; L223-Y225 PolarHBondContact O-N 3.23Å; Y225-Q227 VanDerWaalsContact C-N 3.31Å; Y225-Q227 PolarHBondContact O-N 3.27Å; Y225-T228 PolarHBondContact O-N 3.04Å; Y225-V229 HydrophobicContact CD1-CG2 4.28Å; Y225-V229 HydrophobicContact CD2-CG2 4.43Å; Y225-V229 HydrophobicContact CE1-CG2 3.82Å; Y225-V229 HydrophobicContact CE2-CG2 3.99Å; Y225-V229 WeakPolarHBondContact O-CG2 3.42Å; Y225-V229 PolarHBondContact O-N 3.36Å; Y225-Q251 WeakPolarHBondContact OH-CG 3.48Å; Y225-K256 HydrophobicContact CD1-CD 3.88Å; Y225-K256 HydrophobicContact CD1-CG 4.04Å; Y225-K256 HydrophobicContact CD2-CB 3.74Å; Y225-K256 HydrophobicContact CD2-CD 4.32Å; Y225-K256 HydrophobicContact CD2-CG 3.72Å; Y225-K256 HydrophobicContact CE1-CD 4.36Å; Y225-K256 HydrophobicContact CE1-CG 4.22Å; Y225-K256 HydrophobicContact CE2-CB 4.23Å; Y225-K256 HydrophobicContact CE2-CG 3.9Å; Y225-K256 HydrophobicContact CG-CB 4.03Å; Y225-K256 HydrophobicContact CG-CD 3.86Å; Y225-K256 HydrophobicContact CG-CG 3.79Å; Y225-F259 HydrophobicContact CD2-CB 4.27Å; Y225-F259 AromaticContact CD2-CD1 3.71Å; Y225-F259 HydrophobicContact CD2-CD1 3.71Å; Y225-F259 HydrophobicContact CD2-CE1 4.29Å; Y225-F259 HydrophobicContact CD2-CG 4.09Å; Y225-F259 HydrophobicContact CE2-CB 3.94Å; Y225-F259 AromaticContact CE2-CD1 3.6Å; Y225-F259 HydrophobicContact CE2-CD1 3.6Å; Y225-F259 HydrophobicContact CE2-CD2 4.07Å; Y225-F259 HydrophobicContact CE2-CE1 4.08Å; Y225-F259 HydrophobicContact CE2-CE2 4.47Å; Y225-F259 AromaticContact CE2-CG 3.61Å; Y225-F259 HydrophobicContact CE2-CG 3.61Å; Y225-F259 HydrophobicContact CE2-CZ 4.49Å
226A97.3Very high96.8Very high19 Ų1941.8 Ų41.816%0.15720%0.202CC..Hα-helixtrans-59.5-42.2179.700000112.1N222 L223 S230N222-A226 WeakPolarHBondContact O-CB 3.48Å; N222-A226 PolarHBondContact O-N 3.2Å; L223-A226 PolarHBondContact O-N 3.22Å; A226-S230 PolarHBondContact O-N 3.35Å
227Q97.9Very high96.8Very high6 Ų634.3 Ų34.33%0.02817%0.167CC..Hα-helixtrans-61.4-49.8174-176.2-173.1-55.400111.6R202 K203 L223 L224 Y225 V229 S230 D231R202-Q227 HydrophobicContact CG-CG 4.4Å; K203-Q227 VanDerWaalsContact N-OE1 3.1Å; L223-Q227 WeakPolarHBondContact O-CB 3.41Å; L223-Q227 PolarHBondContact O-N 3.02Å; L224-Q227 PolarHBondContact O-N 2.85Å; Y225-Q227 VanDerWaalsContact C-N 3.31Å; Y225-Q227 PolarHBondContact O-N 3.27Å; Q227-V229 PolarHBondContact O-N 2.6Å; Q227-S230 PolarHBondContact O-N 3.31Å; Q227-S230 VanDerWaalsContact O-N 3.17Å; Q227-D231 VanDerWaalsContact O-CG 3.25Å; Q227-D231 PolarHBondContact O-N 3.2Å
228T98.2Very high96.5Very high1 Ų134.6 Ų34.61%0.00617%0.168CC..Hα-helixtrans-64.6-40.4-175.1-57.50000111.9L224 Y225 S230 D231 I232 I237 F259 L260 A263 Y269L224-T228 VanDerWaalsContact O-CB 3.3Å; L224-T228 WeakPolarHBondContact O-CB 3.37Å; L224-T228 PolarHBondContact O-N 3.43Å; L224-T228 PolarHBondContact O-OG1 2.84Å; Y225-T228 PolarHBondContact O-N 3.04Å; T228-S230 VanDerWaalsContact C-N 3.34Å; T228-D231 PolarHBondContact O-N 2.99Å; T228-I232 HydrophobicContact CG2-CD1 4.05Å; T228-I232 WeakPolarHBondContact O-CD1 3.41Å; T228-I232 WeakPolarHBondContact O-CG1 3.38Å; T228-I232 PolarHBondContact O-N 3.45Å; T228-I237 HydrophobicContact CG2-CD1 3.95Å; T228-F259 HydrophobicContact CG2-CE1 3.93Å; T228-L260 HydrophobicContact CG2-CD2 4.26Å; T228-L260 VanDerWaalsContact OG1-CD2 3.31Å; T228-L260 WeakPolarHBondContact OG1-CD2 3.48Å; T228-A263 HydrophobicContact CG2-CB 3.48Å; T228-A263 VanDerWaalsContact CG2-CB 3.48Å; T228-Y269 HydrophobicContact CG2-CD2 4.27Å; T228-Y269 HydrophobicContact CG2-CE2 3.87Å
229V96.1Very high96.4Very high17 Ų1727.2 Ų27.210%0.10315%0.145CC..Hα-helixtrans-58.4-48.7173.51710000110.1Y225 Q227 D231 I232 E233 F259Y225-V229 HydrophobicContact CD1-CG2 4.28Å; Y225-V229 HydrophobicContact CD2-CG2 4.43Å; Y225-V229 HydrophobicContact CE1-CG2 3.82Å; Y225-V229 HydrophobicContact CE2-CG2 3.99Å; Y225-V229 WeakPolarHBondContact O-CG2 3.42Å; Y225-V229 PolarHBondContact O-N 3.36Å; Q227-V229 PolarHBondContact O-N 2.6Å; V229-D231 VanDerWaalsContact C-N 3.35Å; V229-D231 PolarHBondContact O-N 3.01Å; V229-I232 PolarHBondContact O-N 3.42Å; V229-E233 HydrophobicContact CG1-CG 4.42Å; V229-E233 WeakPolarHBondContact O-CG 3.44Å; V229-E233 PolarHBondContact O-N 3.07Å; V229-F259 HydrophobicContact CG2-CE1 3.9Å; V229-F259 HydrophobicContact CG2-CZ 3.74Å
230S95.5Very high96.2Very high4 Ų429.7 Ų29.73%0.02816%0.161CC..Hα-helixtrans-64-39.3179.3-162.30000112.7S124 A226 Q227 T228 I232 E233 R234S124-S230 PolarHBondContact O-OG 3.05Å; A226-S230 PolarHBondContact O-N 3.35Å; Q227-S230 PolarHBondContact O-N 3.31Å; Q227-S230 VanDerWaalsContact O-N 3.17Å; T228-S230 VanDerWaalsContact C-N 3.34Å; S230-I232 VanDerWaalsContact C-N 3.3Å; S230-I232 PolarHBondContact O-N 2.96Å; S230-E233 PolarHBondContact O-N 3.06Å; S230-R234 VanDerWaalsContact O-CB 3.3Å; S230-R234 WeakPolarHBondContact O-CB 3.34Å; S230-R234 VanDerWaalsContact O-CG 3.23Å; S230-R234 WeakPolarHBondContact O-CG 3.46Å; S230-R234 PolarHBondContact O-N 3.47Å; S230-R234 PolarHBondContact OG-NE 3.48Å
231D97.4Very high95.9Very high4 Ų438.7 Ų38.72%0.02120%0.2CC..Hα-helixtrans-63.8-35.2177.1-69.9-12.9000111.6R202 Q227 T228 V229 G235 W236 I237R202-D231 IonicContact CZ-OD1 2.64Å; R202-D231 IonicContact CZ-OD2 3.75Å; R202-D231 IonicContact NH1-OD1 2.73Å; R202-D231 PolarHBondContact NH1-OD1 2.82Å; R202-D231 IonicContact NH1-OD2 2.67Å; R202-D231 PolarHBondContact NH1-OD2 2.89Å; R202-D231 IonicContact NH2-OD1 3.8Å; R202-D231 PolarHBondContact NH2-OD1 3.22Å; R202-D231 IonicContact NH2-OD2 3.02Å; R202-D231 PolarHBondContact NH2-OD2 3.31Å; Q227-D231 VanDerWaalsContact O-CG 3.25Å; Q227-D231 PolarHBondContact O-N 3.2Å; T228-D231 PolarHBondContact O-N 2.99Å; V229-D231 VanDerWaalsContact C-N 3.35Å; V229-D231 PolarHBondContact O-N 3.01Å; D231-G235 PolarHBondContact O-N 3.2Å; D231-W236 HydrophobicContact CB-CB 4.13Å; D231-W236 WeakPolarHBondContact O-CA 3.22Å; D231-W236 WeakPolarHBondContact O-CB 3.33Å; D231-W236 PolarHBondContact O-N 3.27Å; D231-I237 HydrophobicContact CB-CD1 3.75Å; D231-I237 HydrophobicContact CB-CG1 3.97Å; D231-I237 PolarHBondContact O-N 3.06Å; D231-I237 VanDerWaalsContact O-N 3.11Å
232I96.3Very high95.8Very high18 Ų1841.6 Ų41.69%0.09221%0.213CC..Hα-helixtrans-70.2-48.4173.5-67.4158.9000110.7T228 V229 S230 R234 G235 I237 V239 L247 F259 L266T228-I232 HydrophobicContact CG2-CD1 4.05Å; T228-I232 WeakPolarHBondContact O-CD1 3.41Å; T228-I232 WeakPolarHBondContact O-CG1 3.38Å; T228-I232 PolarHBondContact O-N 3.45Å; V229-I232 PolarHBondContact O-N 3.42Å; S230-I232 VanDerWaalsContact C-N 3.3Å; S230-I232 PolarHBondContact O-N 2.96Å; I232-R234 PolarHBondContact O-N 3.34Å; I232-G235 PolarHBondContact O-N 2.99Å; I232-I237 HydrophobicContact CG1-CB 3.82Å; I232-I237 HydrophobicContact CG1-CD1 4.08Å; I232-I237 HydrophobicContact CG1-CG2 3.96Å; I232-V239 HydrophobicContact CG1-CG1 4.45Å; I232-V239 HydrophobicContact CG2-CG1 4.17Å; I232-V239 HydrophobicContact CG2-CG2 4.24Å; I232-L247 HydrophobicContact CD1-CD1 4.02Å; I232-L247 HydrophobicContact CD1-CD2 4.41Å; I232-F259 HydrophobicContact CD1-CE1 4.07Å; I232-F259 HydrophobicContact CD1-CZ 3.74Å; I232-L266 HydrophobicContact CD1-CD1 4.35Å
233E93.5Very high95.6Very high141 Ų14141.7 Ų41.766%0.65921%0.212SC*.Hα-helixtrans-60.4-35-179.8-72.5173.7166.300112.4V229 S230 G235V229-E233 HydrophobicContact CG1-CG 4.42Å; V229-E233 WeakPolarHBondContact O-CG 3.44Å; V229-E233 PolarHBondContact O-N 3.07Å; S230-E233 PolarHBondContact O-N 3.06Å; E233-G235 VanDerWaalsContact C-N 3.29Å
234R91.8Very high95.3Very high68 Ų6844.3 Ų44.326%0.25722%0.223SC..THydrogen-bonded Turntrans-84.6-0.2178-66.1173.7-180-147.1-7.8113.5G171 S230 I232 W236G171-R234 PolarHBondContact O-NH2 2.67Å; S230-R234 VanDerWaalsContact O-CB 3.3Å; S230-R234 WeakPolarHBondContact O-CB 3.34Å; S230-R234 VanDerWaalsContact O-CG 3.23Å; S230-R234 WeakPolarHBondContact O-CG 3.46Å; S230-R234 PolarHBondContact O-N 3.47Å; S230-R234 PolarHBondContact OG-NE 3.48Å; I232-R234 PolarHBondContact O-N 3.34Å; R234-W236 VanDerWaalsContact C-N 3.28Å; R234-W236 HydrophobicContact CB-CG 4.5Å; R234-W236 PolarHBondContact O-N 3.22Å
235G92.9Very high95.1Very high32 Ų3251.8 Ų51.833%0.3325%0.251SS..THydrogen-bonded Turntrans66.227-179.100000114D231 I232 E233D231-G235 PolarHBondContact O-N 3.2Å; I232-G235 PolarHBondContact O-N 2.99Å; E233-G235 VanDerWaalsContact C-N 3.29Å
236W95.3Very high94.9Very high17 Ų1754.1 Ų54.16%0.06426%0.264CS..SBendtrans-77.2-41.8169.4-68.927.7000110.3F175 D231 R234 H268 L272 R273F175-W236 AromaticContact CD2-CH2 3.62Å; F175-W236 HydrophobicContact CD2-CH2 3.62Å; F175-W236 HydrophobicContact CD2-CZ2 4.3Å; F175-W236 AromaticContact CE2-CH2 3.41Å; F175-W236 HydrophobicContact CE2-CH2 3.41Å; F175-W236 VanDerWaalsContact CE2-CH2 3.41Å; F175-W236 HydrophobicContact CE2-CZ2 4.18Å; F175-W236 HydrophobicContact CE2-CZ3 4.22Å; F175-W236 HydrophobicContact CZ-CH2 4.36Å; D231-W236 HydrophobicContact CB-CB 4.13Å; D231-W236 WeakPolarHBondContact O-CA 3.22Å; D231-W236 WeakPolarHBondContact O-CB 3.33Å; D231-W236 PolarHBondContact O-N 3.27Å; R234-W236 VanDerWaalsContact C-N 3.28Å; R234-W236 HydrophobicContact CB-CG 4.5Å; R234-W236 PolarHBondContact O-N 3.22Å; W236-H268 WeakPolarHBondContact O-CB 3.38Å; W236-L272 HydrophobicContact CH2-CG 4.24Å; W236-L272 HydrophobicContact CZ3-CB 4.47Å; W236-L272 HydrophobicContact CZ3-CG 3.99Å; W236-R273 HydrophobicContact CB-CB 4.25Å; W236-R273 HydrophobicContact CD2-CB 3.63Å; W236-R273 HydrophobicContact CE3-CB 4.13Å; W236-R273 HydrophobicContact CG-CB 3.69Å; W236-R273 HydrophobicContact CZ2-CB 4.38Å; W236-R273 WeakPolarHBondContact CZ2-O 3.48Å
237I96.9Very high94.8Very high2 Ų253.5 Ų53.51%0.0126%0.257CS..SBendtrans-92.4127.7169.4-64.1172000108.2T228 D231 I232 V239 L266 Y269T228-I237 HydrophobicContact CG2-CD1 3.95Å; D231-I237 HydrophobicContact CB-CD1 3.75Å; D231-I237 HydrophobicContact CB-CG1 3.97Å; D231-I237 PolarHBondContact O-N 3.06Å; D231-I237 VanDerWaalsContact O-N 3.11Å; I232-I237 HydrophobicContact CG1-CB 3.82Å; I232-I237 HydrophobicContact CG1-CD1 4.08Å; I232-I237 HydrophobicContact CG1-CG2 3.96Å; I237-V239 HydrophobicContact CG2-CG1 4.15Å; I237-L266 HydrophobicContact CG2-CB 3.52Å; I237-L266 HydrophobicContact CG2-CD1 3.74Å; I237-L266 HydrophobicContact CG2-CG 4.29Å; I237-Y269 HydrophobicContact CD1-CD2 3.82Å
238L92.4Very high94.5Very high50 Ų5058.5 Ų58.526%0.26228%0.279SS..BIsolated β-bridgetrans-93.4120.8-175-55.4176.5000109.9R267L238-R267 HydrophobicContact CB-CB 4.26Å; L238-R267 HydrophobicContact CD1-CG 4.24Å; L238-R267 PolarHBondContact N-O 3.45Å
239V94.7Very high94.2Very high47 Ų4760.5 Ų60.529%0.28529%0.293SS..  trans-123.3139.8-174.9-61.10000111.6I232 I237 Q243 H244 L247 L266I232-V239 HydrophobicContact CG1-CG1 4.45Å; I232-V239 HydrophobicContact CG2-CG1 4.17Å; I232-V239 HydrophobicContact CG2-CG2 4.24Å; I237-V239 HydrophobicContact CG2-CG1 4.15Å; V239-Q243 HydrophobicContact CB-CB 4.49Å; V239-H244 HydrophobicContact CG2-CB 4.07Å; V239-L247 HydrophobicContact CG1-CD1 4.03Å; V239-L266 HydrophobicContact CG1-CD1 3.77Å; V239-L266 HydrophobicContact CG1-CD2 4.3Å; V239-L266 HydrophobicContact CG1-CG 4.5Å
240T94.3Very high94.1Very high78 Ų7861.1 Ų61.148%0.47930%0.296SS..  trans-76163.8167.264.10000110.7E242 Q243 H244T240-E242 PolarHBondContact O-N 2.81Å; T240-Q243 PolarHBondContact O-N 3.47Å; T240-Q243 VanDerWaalsContact OG1-CD 3.29Å; T240-Q243 WeakPolarHBondContact OG1-CG 3.4Å; T240-Q243 PolarHBondContact OG1-N 2.88Å; T240-Q243 PolarHBondContact OG1-OE1 3.3Å; T240-H244 WeakPolarHBondContact O-CB 3.4Å; T240-H244 PolarHBondContact O-N 3.05Å
241K92.9Very high93.9Very high190 Ų19064.9 Ų64.983%0.82631%0.313SS*.Hα-helixtrans-57.3-35.8176.5-68.6-174.6178.4-178.50113R245K241-R245 PolarHBondContact O-N 2.96Å
242E94.5Very high93.5Very high84 Ų8472 Ų7239%0.39335%0.346SS..Hα-helixtrans-72.6-49.3179.7-178.353.4-143.200111.4T240 H244 R245 Q246T240-E242 PolarHBondContact O-N 2.81Å; E242-H244 VanDerWaalsContact C-N 3.26Å; E242-H244 PolarHBondContact O-N 2.91Å; E242-R245 WeakPolarHBondContact O-CB 3.48Å; E242-R245 PolarHBondContact O-N 2.84Å; E242-R245 IonicContact OE1-NH1 3.3Å; E242-R245 IonicContact OE2-CZ 2.81Å; E242-R245 VanDerWaalsContact OE2-CZ 3.29Å; E242-R245 IonicContact OE2-NH1 3.22Å; E242-R245 PolarHBondContact OE2-NH1 3.1Å; E242-R245 IonicContact OE2-NH2 3.23Å; E242-Q246 WeakPolarHBondContact O-CG 3.43Å; E242-Q246 PolarHBondContact O-N 2.93Å; E242-Q246 PolarHBondContact OE1-NE2 2.85Å; E242-Q246 VanDerWaalsContact OE1-NE2 3.13Å
243Q94.5Very high93.2Very high52 Ų5278 Ų7824%0.24337%0.372CS..Hα-helixtrans-57.1-42175.3-73.2163-33.800111.5V239 T240 R245 Q246 L247 L266V239-Q243 HydrophobicContact CB-CB 4.49Å; T240-Q243 PolarHBondContact O-N 3.47Å; T240-Q243 VanDerWaalsContact OG1-CD 3.29Å; T240-Q243 WeakPolarHBondContact OG1-CG 3.4Å; T240-Q243 PolarHBondContact OG1-N 2.88Å; T240-Q243 PolarHBondContact OG1-OE1 3.3Å; Q243-R245 VanDerWaalsContact C-N 3.29Å; Q243-R245 PolarHBondContact O-N 2.88Å; Q243-Q246 PolarHBondContact O-N 3.3Å; Q243-L247 WeakPolarHBondContact O-CB 3.22Å; Q243-L247 WeakPolarHBondContact O-CD1 3.27Å; Q243-L247 VanDerWaalsContact O-CG 3.27Å; Q243-L247 WeakPolarHBondContact O-CG 3.29Å; Q243-L247 PolarHBondContact O-N 2.82Å; Q243-L266 HydrophobicContact CB-CD2 4.1Å; Q243-L266 HydrophobicContact CG-CD2 3.99Å
244H93.1Very high92.8Very high73 Ų7376.4 Ų76.434%0.33837%0.371SS..Hα-helixtrans-62.1-35.6176.8-172.4-98.5000112.7V239 T240 E242 K248V239-H244 HydrophobicContact CG2-CB 4.07Å; T240-H244 WeakPolarHBondContact O-CB 3.4Å; T240-H244 PolarHBondContact O-N 3.05Å; E242-H244 VanDerWaalsContact C-N 3.26Å; E242-H244 PolarHBondContact O-N 2.91Å; H244-K248 WeakPolarHBondContact CE1-CE 3.12Å; H244-K248 WeakPolarHBondContact O-CG 3.17Å; H244-K248 PolarHBondContact O-N 2.87Å; H244-K248 VanDerWaalsContact O-N 3.08Å
245R93.5Very high92.7Very high156 Ų15674.5 Ų74.559%0.58937%0.368SS*.Hα-helixtrans-66.9-42.6173.9-165.1-170-56.7138.69111.5K241 E242 Q243 K248 S249K241-R245 PolarHBondContact O-N 2.96Å; E242-R245 WeakPolarHBondContact O-CB 3.48Å; E242-R245 PolarHBondContact O-N 2.84Å; E242-R245 IonicContact OE1-NH1 3.3Å; E242-R245 IonicContact OE2-CZ 2.81Å; E242-R245 VanDerWaalsContact OE2-CZ 3.29Å; E242-R245 IonicContact OE2-NH1 3.22Å; E242-R245 PolarHBondContact OE2-NH1 3.1Å; E242-R245 IonicContact OE2-NH2 3.23Å; Q243-R245 VanDerWaalsContact C-N 3.29Å; Q243-R245 PolarHBondContact O-N 2.88Å; R245-K248 PolarHBondContact O-N 3.27Å; R245-S249 PolarHBondContact O-N 3.43Å
246Q93.9Very high92.8Very high78 Ų7875.8 Ų75.836%0.36437%0.365SS..Hα-helixtrans-63.3-46.5177.8-65.6170.50.500111.5E242 Q243 K248 S249 L250 L262E242-Q246 WeakPolarHBondContact O-CG 3.43Å; E242-Q246 PolarHBondContact O-N 2.93Å; E242-Q246 PolarHBondContact OE1-NE2 2.85Å; E242-Q246 VanDerWaalsContact OE1-NE2 3.13Å; Q243-Q246 PolarHBondContact O-N 3.3Å; Q246-K248 PolarHBondContact O-N 2.84Å; Q246-S249 PolarHBondContact O-N 2.81Å; Q246-L250 WeakPolarHBondContact O-CG 3.49Å; Q246-L250 PolarHBondContact O-N 2.9Å; Q246-L262 HydrophobicContact CB-CD2 3.94Å
247L94.2Very high92.9Very high5 Ų580.4 Ų80.43%0.02639%0.385CS..Hα-helixtrans-58.8-44.5176.2-72.5162000111.8I232 V239 Q243 S249 L250 Q251 F259 L262 L266I232-L247 HydrophobicContact CD1-CD1 4.02Å; I232-L247 HydrophobicContact CD1-CD2 4.41Å; V239-L247 HydrophobicContact CG1-CD1 4.03Å; Q243-L247 WeakPolarHBondContact O-CB 3.22Å; Q243-L247 WeakPolarHBondContact O-CD1 3.27Å; Q243-L247 VanDerWaalsContact O-CG 3.27Å; Q243-L247 WeakPolarHBondContact O-CG 3.29Å; Q243-L247 PolarHBondContact O-N 2.82Å; L247-S249 PolarHBondContact O-N 2.95Å; L247-L250 PolarHBondContact O-N 2.89Å; L247-Q251 WeakPolarHBondContact O-CB 3.23Å; L247-Q251 PolarHBondContact O-N 2.8Å; L247-F259 HydrophobicContact CB-CD2 4.32Å; L247-F259 HydrophobicContact CB-CE2 3.74Å; L247-F259 HydrophobicContact CB-CZ 4.43Å; L247-F259 HydrophobicContact CD2-CD1 4.42Å; L247-F259 HydrophobicContact CD2-CD2 3.76Å; L247-F259 HydrophobicContact CD2-CE1 4.2Å; L247-F259 HydrophobicContact CD2-CE2 3.53Å; L247-F259 HydrophobicContact CD2-CG 4.2Å; L247-F259 HydrophobicContact CD2-CZ 3.76Å; L247-F259 HydrophobicContact CG-CE2 4.22Å; L247-L262 HydrophobicContact CD2-CB 4.49Å; L247-L262 HydrophobicContact CD2-CD2 3.9Å; L247-L262 HydrophobicContact CD2-CG 4.2Å; L247-L262 HydrophobicContact CG-CD2 4.01Å; L247-L266 HydrophobicContact CD1-CD1 3.83Å; L247-L266 HydrophobicContact CD2-CD1 4.41Å
248K91.9Very high92.9Very high111 Ų11185.8 Ų85.848%0.48341%0.41SS..Hα-helixtrans-59.8-43.9174.4-80.8-172.5166.2-173.90112.5H244 R245 Q246 L250 Q251 E252H244-K248 WeakPolarHBondContact CE1-CE 3.12Å; H244-K248 WeakPolarHBondContact O-CG 3.17Å; H244-K248 PolarHBondContact O-N 2.87Å; H244-K248 VanDerWaalsContact O-N 3.08Å; R245-K248 PolarHBondContact O-N 3.27Å; Q246-K248 PolarHBondContact O-N 2.84Å; K248-L250 VanDerWaalsContact C-N 3.34Å; K248-L250 PolarHBondContact O-N 3.28Å; K248-Q251 WeakPolarHBondContact O-CB 3.49Å; K248-Q251 PolarHBondContact O-N 2.8Å; K248-E252 WeakPolarHBondContact O-CG 3.36Å; K248-E252 PolarHBondContact O-N 3.32Å
249S93.3Very high93.1Very high44 Ų4483.5 Ų83.531%0.30840%0.398SS..Hα-helixtrans-62.9-39.3176.4-173.80000112.6R245 Q246 L247 Q251 E252 K253R245-S249 PolarHBondContact O-N 3.43Å; Q246-S249 PolarHBondContact O-N 2.81Å; L247-S249 PolarHBondContact O-N 2.95Å; S249-Q251 VanDerWaalsContact C-N 3.35Å; S249-E252 PolarHBondContact O-N 3.48Å; S249-K253 WeakPolarHBondContact O-CG 3.43Å; S249-K253 PolarHBondContact O-N 2.95Å; S249-K253 VanDerWaalsContact O-N 3.08Å
250L93Very high93.3Very high29 Ų2981.3 Ų81.315%0.15239%0.385CS..Hα-helixtrans-67.2-36.6176.2-69.5171.2000112.2Q246 L247 K248 K253 V254 S255 E258 F259 L262Q246-L250 WeakPolarHBondContact O-CG 3.49Å; Q246-L250 PolarHBondContact O-N 2.9Å; L247-L250 PolarHBondContact O-N 2.89Å; K248-L250 VanDerWaalsContact C-N 3.34Å; K248-L250 PolarHBondContact O-N 3.28Å; L250-K253 PolarHBondContact O-N 2.86Å; L250-V254 PolarHBondContact O-N 2.85Å; L250-S255 PolarHBondContact O-N 2.74Å; L250-S255 VanDerWaalsContact O-N 3.14Å; L250-E258 HydrophobicContact CD2-CB 4.11Å; L250-F259 HydrophobicContact CB-CB 4.24Å; L250-F259 HydrophobicContact CB-CD2 4.17Å; L250-L262 HydrophobicContact CD1-CB 4.22Å; L250-L262 HydrophobicContact CD1-CD2 3.74Å
251Q90.6Very high93.4Very high83 Ų8382.2 Ų82.239%0.38838%0.38SS..Hα-helixtrans-64.3-42.8174.4175.3167.29.900111.6Y225 L247 K248 S249 K253 V254 F259Y225-Q251 WeakPolarHBondContact OH-CG 3.48Å; L247-Q251 WeakPolarHBondContact O-CB 3.23Å; L247-Q251 PolarHBondContact O-N 2.8Å; K248-Q251 WeakPolarHBondContact O-CB 3.49Å; K248-Q251 PolarHBondContact O-N 2.8Å; S249-Q251 VanDerWaalsContact C-N 3.35Å; Q251-K253 VanDerWaalsContact C-N 3.31Å; Q251-K253 PolarHBondContact O-N 2.96Å; Q251-V254 PolarHBondContact O-N 2.82Å; Q251-V254 VanDerWaalsContact O-N 3.1Å; Q251-F259 HydrophobicContact CB-CE2 4.49Å
252E90.5Very high93.6Very high155 Ų15575 Ų7572%0.72435%0.35SS*.Hα-helixtrans-63.3-35.5174.5-71.5166.7-175.900112.5K248 S249 V254K248-E252 WeakPolarHBondContact O-CG 3.36Å; K248-E252 PolarHBondContact O-N 3.32Å; S249-E252 PolarHBondContact O-N 3.48Å; E252-V254 PolarHBondContact O-N 2.83Å
253K89.7Confident93.8Very high144 Ų14471 Ų7163%0.62633%0.331SS*.THydrogen-bonded Turntrans-78-2.3175.1-69.1174-176.7176.90113.9S249 L250 Q251 S255S249-K253 WeakPolarHBondContact O-CG 3.43Å; S249-K253 PolarHBondContact O-N 2.95Å; S249-K253 VanDerWaalsContact O-N 3.08Å; L250-K253 PolarHBondContact O-N 2.86Å; Q251-K253 VanDerWaalsContact C-N 3.31Å; Q251-K253 PolarHBondContact O-N 2.96Å; K253-S255 PolarHBondContact O-N 2.77Å; K253-S255 VanDerWaalsContact O-N 3.11Å
254V85.2Confident94Very high106 Ų10670.4 Ų70.464%0.64233%0.328SS*.THydrogen-bonded Turntrans57.223.3-177.7-1560000112.9L250 Q251 E252 K256L250-V254 PolarHBondContact O-N 2.85Å; Q251-V254 PolarHBondContact O-N 2.82Å; Q251-V254 VanDerWaalsContact O-N 3.1Å; E252-V254 PolarHBondContact O-N 2.83Å; V254-K256 VanDerWaalsContact C-N 3.32Å; V254-K256 PolarHBondContact O-N 3.35Å
255S89.4Confident94.1Very high29 Ų2971.7 Ų71.720%0.20334%0.342CS..  trans-87.272.2-179-168.70000110.9L250 K253 K257 E258 F259L250-S255 PolarHBondContact O-N 2.74Å; L250-S255 VanDerWaalsContact O-N 3.14Å; K253-S255 PolarHBondContact O-N 2.77Å; K253-S255 VanDerWaalsContact O-N 3.11Å; S255-K257 VanDerWaalsContact C-N 3.29Å; S255-K257 PolarHBondContact O-N 3.02Å; S255-E258 VanDerWaalsContact CB-OE2 3.27Å; S255-E258 WeakPolarHBondContact CB-OE2 3.32Å; S255-E258 PolarHBondContact O-N 3.09Å; S255-E258 WeakPolarHBondContact OG-CB 3.45Å; S255-E258 VanDerWaalsContact OG-CG 3.26Å; S255-E258 WeakPolarHBondContact OG-CG 3.44Å; S255-E258 PolarHBondContact OG-OE2 2.93Å; S255-F259 WeakPolarHBondContact O-CB 3.41Å; S255-F259 PolarHBondContact O-N 2.56Å
256K95.9Very high94.3Very high58 Ų5864.7 Ų64.725%0.25232%0.315SS..Hα-helixtrans-59.7-36.5-174.9-66.2-173.2-173.8-173.60113.3L221 N222 Y225 V254 L260L221-K256 HydrophobicContact CD2-CB 3.49Å; L221-K256 VanDerWaalsContact CD2-CB 3.49Å; L221-K256 HydrophobicContact CD2-CD 3.87Å; L221-K256 HydrophobicContact CD2-CG 4.34Å; N222-K256 WeakPolarHBondContact OD1-CD 3.25Å; N222-K256 PolarHBondContact OD1-NZ 3.15Å; Y225-K256 HydrophobicContact CD1-CD 3.88Å; Y225-K256 HydrophobicContact CD1-CG 4.04Å; Y225-K256 HydrophobicContact CD2-CB 3.74Å; Y225-K256 HydrophobicContact CD2-CD 4.32Å; Y225-K256 HydrophobicContact CD2-CG 3.72Å; Y225-K256 HydrophobicContact CE1-CD 4.36Å; Y225-K256 HydrophobicContact CE1-CG 4.22Å; Y225-K256 HydrophobicContact CE2-CB 4.23Å; Y225-K256 HydrophobicContact CE2-CG 3.9Å; Y225-K256 HydrophobicContact CG-CB 4.03Å; Y225-K256 HydrophobicContact CG-CD 3.86Å; Y225-K256 HydrophobicContact CG-CG 3.79Å; V254-K256 VanDerWaalsContact C-N 3.32Å; V254-K256 PolarHBondContact O-N 3.35Å; K256-L260 WeakPolarHBondContact O-CG 2.99Å; K256-L260 PolarHBondContact O-N 3.37Å
257K96.3Very high94.4Very high115 Ų11566.2 Ų66.250%0.532%0.318SS..Hα-helixtrans-66.8-48.9179.1-169.3170.7-177.5167.40111.2M215 L221 S255 F259 L260 R261M215-K257 HydrophobicContact CE-CG 3.66Å; L221-K257 HydrophobicContact CD1-CB 4.09Å; L221-K257 HydrophobicContact CD1-CG 4.44Å; S255-K257 VanDerWaalsContact C-N 3.29Å; S255-K257 PolarHBondContact O-N 3.02Å; K257-F259 VanDerWaalsContact C-N 3.33Å; K257-L260 PolarHBondContact O-N 3.23Å; K257-R261 WeakPolarHBondContact O-CG 3.48Å; K257-R261 PolarHBondContact O-N 3.38Å
258E96.6Very high94.5Very high114 Ų11466.5 Ų66.553%0.53332%0.319SS..Hα-helixtrans-66.2-37.3178.1-65.1171.7164.600111.4L250 S255 L260 R261 L262L250-E258 HydrophobicContact CD2-CB 4.11Å; S255-E258 VanDerWaalsContact CB-OE2 3.27Å; S255-E258 WeakPolarHBondContact CB-OE2 3.32Å; S255-E258 PolarHBondContact O-N 3.09Å; S255-E258 WeakPolarHBondContact OG-CB 3.45Å; S255-E258 VanDerWaalsContact OG-CG 3.26Å; S255-E258 WeakPolarHBondContact OG-CG 3.44Å; S255-E258 PolarHBondContact OG-OE2 2.93Å; E258-L260 PolarHBondContact O-N 3.01Å; E258-R261 PolarHBondContact O-N 3.5Å; E258-L262 PolarHBondContact O-N 3.04Å
259F97.8Very high94.8Very high3 Ų362.2 Ų62.21%0.01330%0.3CS..Hα-helixtrans-56.2-49.5171.4-177.8-80.2000111.3Y225 T228 V229 I232 L247 L250 Q251 S255 K257 R261 L262 A263Y225-F259 HydrophobicContact CD2-CB 4.27Å; Y225-F259 AromaticContact CD2-CD1 3.71Å; Y225-F259 HydrophobicContact CD2-CD1 3.71Å; Y225-F259 HydrophobicContact CD2-CE1 4.29Å; Y225-F259 HydrophobicContact CD2-CG 4.09Å; Y225-F259 HydrophobicContact CE2-CB 3.94Å; Y225-F259 AromaticContact CE2-CD1 3.6Å; Y225-F259 HydrophobicContact CE2-CD1 3.6Å; Y225-F259 HydrophobicContact CE2-CD2 4.07Å; Y225-F259 HydrophobicContact CE2-CE1 4.08Å; Y225-F259 HydrophobicContact CE2-CE2 4.47Å; Y225-F259 AromaticContact CE2-CG 3.61Å; Y225-F259 HydrophobicContact CE2-CG 3.61Å; Y225-F259 HydrophobicContact CE2-CZ 4.49Å; T228-F259 HydrophobicContact CG2-CE1 3.93Å; V229-F259 HydrophobicContact CG2-CE1 3.9Å; V229-F259 HydrophobicContact CG2-CZ 3.74Å; I232-F259 HydrophobicContact CD1-CE1 4.07Å; I232-F259 HydrophobicContact CD1-CZ 3.74Å; L247-F259 HydrophobicContact CB-CD2 4.32Å; L247-F259 HydrophobicContact CB-CE2 3.74Å; L247-F259 HydrophobicContact CB-CZ 4.43Å; L247-F259 HydrophobicContact CD2-CD1 4.42Å; L247-F259 HydrophobicContact CD2-CD2 3.76Å; L247-F259 HydrophobicContact CD2-CE1 4.2Å; L247-F259 HydrophobicContact CD2-CE2 3.53Å; L247-F259 HydrophobicContact CD2-CG 4.2Å; L247-F259 HydrophobicContact CD2-CZ 3.76Å; L247-F259 HydrophobicContact CG-CE2 4.22Å; L250-F259 HydrophobicContact CB-CB 4.24Å; L250-F259 HydrophobicContact CB-CD2 4.17Å; Q251-F259 HydrophobicContact CB-CE2 4.49Å; S255-F259 WeakPolarHBondContact O-CB 3.41Å; S255-F259 PolarHBondContact O-N 2.56Å; K257-F259 VanDerWaalsContact C-N 3.33Å; F259-R261 PolarHBondContact O-N 2.79Å; F259-L262 PolarHBondContact O-N 3.05Å; F259-A263 VanDerWaalsContact O-CB 3.3Å; F259-A263 WeakPolarHBondContact O-CB 3.47Å; F259-A263 PolarHBondContact O-N 2.85Å
260L98.1Very high95Very high0 Ų060.6 Ų60.60%029%0.29CS..Hα-helixtrans-63.6-40.2177.9-76.3171.6000112M215 L221 L224 T228 K256 K257 E258 L262 A263 Q264M215-L260 HydrophobicContact CE-CB 3.94Å; M215-L260 HydrophobicContact CE-CD1 4.25Å; M215-L260 HydrophobicContact CG-CD1 4.06Å; M215-L260 HydrophobicContact SD-CB 4.17Å; M215-L260 HydrophobicContact SD-CD1 4.08Å; L221-L260 HydrophobicContact CG-CD1 4.26Å; L224-L260 HydrophobicContact CB-CD1 3.98Å; L224-L260 HydrophobicContact CB-CD2 4.18Å; T228-L260 HydrophobicContact CG2-CD2 4.26Å; T228-L260 VanDerWaalsContact OG1-CD2 3.31Å; T228-L260 WeakPolarHBondContact OG1-CD2 3.48Å; K256-L260 WeakPolarHBondContact O-CG 2.99Å; K256-L260 PolarHBondContact O-N 3.37Å; K257-L260 PolarHBondContact O-N 3.23Å; E258-L260 PolarHBondContact O-N 3.01Å; L260-L262 PolarHBondContact O-N 2.92Å; L260-A263 PolarHBondContact O-N 2.94Å; L260-A263 VanDerWaalsContact O-N 3.15Å; L260-Q264 VanDerWaalsContact O-CG 3.32Å; L260-Q264 WeakPolarHBondContact O-CG 3.45Å; L260-Q264 PolarHBondContact O-N 2.95Å
261R97.4Very high95.3Very high98 Ų9860.1 Ų60.137%0.3729%0.287SS..Hα-helixtrans-61.6-42.8175.3-69.9-52.3-170.2-165.9-2.2112.7D212 K257 E258 F259 A263 Q264D212-R261 IonicContact OD1-CZ 2.67Å; D212-R261 IonicContact OD1-NH1 3.52Å; D212-R261 PolarHBondContact OD1-NH1 2.94Å; D212-R261 IonicContact OD1-NH2 3.11Å; D212-R261 PolarHBondContact OD1-NH2 2.77Å; K257-R261 WeakPolarHBondContact O-CG 3.48Å; K257-R261 PolarHBondContact O-N 3.38Å; E258-R261 PolarHBondContact O-N 3.5Å; F259-R261 PolarHBondContact O-N 2.79Å; R261-A263 VanDerWaalsContact C-N 3.34Å; R261-Q264 VanDerWaalsContact CD-OE1 3.27Å
262L97.1Very high95.6Very high38 Ų3856.5 Ų56.520%0.19927%0.27CS..Hα-helixtrans-64.4-43.6172.718059.8000110.4Q246 L247 L250 E258 F259 L260 Q264 T265Q246-L262 HydrophobicContact CB-CD2 3.94Å; L247-L262 HydrophobicContact CD2-CB 4.49Å; L247-L262 HydrophobicContact CD2-CD2 3.9Å; L247-L262 HydrophobicContact CD2-CG 4.2Å; L247-L262 HydrophobicContact CG-CD2 4.01Å; L250-L262 HydrophobicContact CD1-CB 4.22Å; L250-L262 HydrophobicContact CD1-CD2 3.74Å; E258-L262 PolarHBondContact O-N 3.04Å; F259-L262 PolarHBondContact O-N 3.05Å; L260-L262 PolarHBondContact O-N 2.92Å; L262-Q264 VanDerWaalsContact C-N 3.31Å; L262-Q264 PolarHBondContact O-N 3.12Å; L262-T265 WeakPolarHBondContact O-CB 3.29Å; L262-T265 PolarHBondContact O-N 3.05Å; L262-T265 PolarHBondContact O-OG1 2.81Å
263A97.8Very high96Very high0 Ų052.3 Ų52.30%025%0.247CC..Hα-helixtrans-62.2-35.9-177.800000113.5T228 F259 L260 R261 T265 L266 Y269T228-A263 HydrophobicContact CG2-CB 3.48Å; T228-A263 VanDerWaalsContact CG2-CB 3.48Å; F259-A263 VanDerWaalsContact O-CB 3.3Å; F259-A263 WeakPolarHBondContact O-CB 3.47Å; F259-A263 PolarHBondContact O-N 2.85Å; L260-A263 PolarHBondContact O-N 2.94Å; L260-A263 VanDerWaalsContact O-N 3.15Å; R261-A263 VanDerWaalsContact C-N 3.34Å; A263-T265 PolarHBondContact O-N 3.34Å; A263-T265 VanDerWaalsContact O-N 3.12Å; A263-L266 HydrophobicContact CB-CD1 4.09Å; A263-L266 VanDerWaalsContact O-CB 3.29Å; A263-L266 WeakPolarHBondContact O-CB 3.45Å; A263-L266 WeakPolarHBondContact O-CG 3.43Å; A263-L266 PolarHBondContact O-N 3.04Å; A263-Y269 VanDerWaalsContact C-CD2 3.5Å; A263-Y269 HydrophobicContact CB-CD2 4.01Å; A263-Y269 HydrophobicContact CB-CE2 4.06Å; A263-Y269 WeakPolarHBondContact O-CB 3.39Å; A263-Y269 VanDerWaalsContact O-CD2 3.22Å; A263-Y269 WeakPolarHBondContact O-CD2 3.32Å
264Q97.9Very high96.4Very high40 Ų4045.5 Ų45.519%0.18722%0.218CC..THydrogen-bonded Turntrans-58.2-22.5174.6-76.9173.9-30.100113.5D211 L260 R261 L262 Y269D211-Q264 PolarHBondContact OD2-NE2 2.98Å; L260-Q264 VanDerWaalsContact O-CG 3.32Å; L260-Q264 WeakPolarHBondContact O-CG 3.45Å; L260-Q264 PolarHBondContact O-N 2.95Å; R261-Q264 VanDerWaalsContact CD-OE1 3.27Å; L262-Q264 VanDerWaalsContact C-N 3.31Å; L262-Q264 PolarHBondContact O-N 3.12Å; Q264-Y269 HydrophobicContact CB-CD1 4.47Å; Q264-Y269 HydrophobicContact CB-CE1 4.47Å; Q264-Y269 HydrophobicContact CG-CD1 4.17Å; Q264-Y269 HydrophobicContact CG-CE1 3.69Å; Q264-Y269 HydrophobicContact CG-CE2 4.39Å
265T96.9Very high96.9Very high100 Ų10042.9 Ų42.961%0.61320%0.2SC*.THydrogen-bonded Turntrans-88.2-7.3177.273.40000113.6L262 A263L262-T265 WeakPolarHBondContact O-CB 3.29Å; L262-T265 PolarHBondContact O-N 3.05Å; L262-T265 PolarHBondContact O-OG1 2.81Å; A263-T265 PolarHBondContact O-N 3.34Å; A263-T265 VanDerWaalsContact O-N 3.12Å
266L97.5Very high97.2Very high8 Ų845.4 Ų45.44%0.04222%0.223CC..SBendtrans-81.4149.7-175.1-56.8171.3000111.3I232 I237 V239 Q243 L247 A263 H268 Y269I232-L266 HydrophobicContact CD1-CD1 4.35Å; I237-L266 HydrophobicContact CG2-CB 3.52Å; I237-L266 HydrophobicContact CG2-CD1 3.74Å; I237-L266 HydrophobicContact CG2-CG 4.29Å; V239-L266 HydrophobicContact CG1-CD1 3.77Å; V239-L266 HydrophobicContact CG1-CD2 4.3Å; V239-L266 HydrophobicContact CG1-CG 4.5Å; Q243-L266 HydrophobicContact CB-CD2 4.1Å; Q243-L266 HydrophobicContact CG-CD2 3.99Å; L247-L266 HydrophobicContact CD1-CD1 3.83Å; L247-L266 HydrophobicContact CD2-CD1 4.41Å; A263-L266 HydrophobicContact CB-CD1 4.09Å; A263-L266 VanDerWaalsContact O-CB 3.29Å; A263-L266 WeakPolarHBondContact O-CB 3.45Å; A263-L266 WeakPolarHBondContact O-CG 3.43Å; A263-L266 PolarHBondContact O-N 3.04Å; L266-H268 PolarHBondContact O-N 3.47Å; L266-Y269 WeakPolarHBondContact O-CB 3.45Å; L266-Y269 PolarHBondContact O-N 2.86Å; L266-Y269 VanDerWaalsContact O-N 3.17Å
267R95.1Very high97.2Very high110 Ų11043.4 Ų43.442%0.41522%0.216SC..BIsolated β-bridgetrans-64.6131.4178.5-174.9173.4-175.8-118.613.7109.8L238 Y269 E310L238-R267 HydrophobicContact CB-CB 4.26Å; L238-R267 HydrophobicContact CD1-CG 4.24Å; L238-R267 PolarHBondContact N-O 3.45Å; R267-Y269 VanDerWaalsContact C-N 3.27Å; R267-Y269 PolarHBondContact O-N 2.92Å; R267-E310 IonicContact CZ-OE1 3.74Å; R267-E310 IonicContact CZ-OE2 2.77Å; R267-E310 IonicContact NE-OE2 3.96Å; R267-E310 IonicContact NH1-OE1 2.69Å; R267-E310 IonicContact NH2-OE1 3.49Å; R267-E310 PolarHBondContact NH2-OE1 2.95Å; R267-E310 IonicContact NH2-OE2 3.82Å; R267-E310 PolarHBondContact NH2-OE2 2.88Å
268H97.2Very high97.2Very high11 Ų1140 Ų405%0.05121%0.205CC..THydrogen-bonded Turntrans67.617.8-177.5-59172.1000115W236 L266 G270 Y271 S298 Q300 E310W236-H268 WeakPolarHBondContact O-CB 3.38Å; L266-H268 PolarHBondContact O-N 3.47Å; H268-G270 PolarHBondContact O-N 2.87Å; H268-Y271 VanDerWaalsContact CA-CD2 3.44Å; H268-Y271 HydrophobicContact CB-CD1 4.49Å; H268-Y271 HydrophobicContact CB-CD2 4.08Å; H268-Y271 HydrophobicContact CB-CG 3.99Å; H268-Y271 AromaticContact CD2-CE1 3.87Å; H268-Y271 AromaticContact CD2-CZ 3.91Å; H268-Y271 WeakPolarHBondContact O-CB 3.4Å; H268-Y271 PolarHBondContact O-N 3.1Å; H268-Y271 VanDerWaalsContact O-N 3.1Å; H268-S298 PolarHBondContact NE2-OG 3.43Å; H268-Q300 PolarHBondContact CE1-NE2 3.49Å; H268-Q300 VanDerWaalsContact CE1-NE2 3.32Å; H268-Q300 PolarHBondContact ND1-NE2 2.79Å; H268-E310 IonicContact CE1-OE1 2.63Å; H268-E310 PolarHBondContact CE1-OE1 3.19Å; H268-E310 VanDerWaalsContact CE1-OE1 3.26Å; H268-E310 IonicContact NE2-OE1 2.89Å; H268-E310 PolarHBondContact NE2-OE1 3.4Å
269Y98.3Very high97.2Very high22 Ų2234.8 Ų34.89%0.08618%0.181CC..THydrogen-bonded Turntrans-56.2131.1164.3-179.4-90.2000111K203 D211 T228 I237 A263 Q264 L266 R267 Y271K203-Y269 PolarHBondContact NZ-OH 2.69Å; D211-Y269 VanDerWaalsContact OD2-CE1 3.27Å; D211-Y269 WeakPolarHBondContact OD2-CE1 3.45Å; D211-Y269 PolarHBondContact OD2-OH 2.92Å; T228-Y269 HydrophobicContact CG2-CD2 4.27Å; T228-Y269 HydrophobicContact CG2-CE2 3.87Å; I237-Y269 HydrophobicContact CD1-CD2 3.82Å; A263-Y269 VanDerWaalsContact C-CD2 3.5Å; A263-Y269 HydrophobicContact CB-CD2 4.01Å; A263-Y269 HydrophobicContact CB-CE2 4.06Å; A263-Y269 WeakPolarHBondContact O-CB 3.39Å; A263-Y269 VanDerWaalsContact O-CD2 3.22Å; A263-Y269 WeakPolarHBondContact O-CD2 3.32Å; Q264-Y269 HydrophobicContact CB-CD1 4.47Å; Q264-Y269 HydrophobicContact CB-CE1 4.47Å; Q264-Y269 HydrophobicContact CG-CD1 4.17Å; Q264-Y269 HydrophobicContact CG-CE1 3.69Å; Q264-Y269 HydrophobicContact CG-CE2 4.39Å; L266-Y269 WeakPolarHBondContact O-CB 3.45Å; L266-Y269 PolarHBondContact O-N 2.86Å; L266-Y269 VanDerWaalsContact O-N 3.17Å; R267-Y269 VanDerWaalsContact C-N 3.27Å; R267-Y269 PolarHBondContact O-N 2.92Å; Y269-Y271 VanDerWaalsContact C-N 3.26Å; Y269-Y271 WeakPolarHBondContact O-CD2 3.39Å; Y269-Y271 PolarHBondContact O-N 3.09Å
270G97.4Very high97.1Very high10 Ų1037.2 Ų37.210%0.10319%0.194CC..THydrogen-bonded Turntrans78.52.6-178.100000114.9H268H268-G270 PolarHBondContact O-N 2.87Å
271Y98.3Very high96.9Very high19 Ų1939.2 Ų39.28%0.07520%0.203CC..PPolyproline II helixtrans-82.8151.4174.8-73.4-125.2000111H268 Y269 A292 N294 E296H268-Y271 VanDerWaalsContact CA-CD2 3.44Å; H268-Y271 HydrophobicContact CB-CD1 4.49Å; H268-Y271 HydrophobicContact CB-CD2 4.08Å; H268-Y271 HydrophobicContact CB-CG 3.99Å; H268-Y271 AromaticContact CD2-CE1 3.87Å; H268-Y271 AromaticContact CD2-CZ 3.91Å; H268-Y271 WeakPolarHBondContact O-CB 3.4Å; H268-Y271 PolarHBondContact O-N 3.1Å; H268-Y271 VanDerWaalsContact O-N 3.1Å; Y269-Y271 VanDerWaalsContact C-N 3.26Å; Y269-Y271 WeakPolarHBondContact O-CD2 3.39Å; Y269-Y271 PolarHBondContact O-N 3.09Å; Y271-A292 CarbonylContact C-O 3.6Å; Y271-A292 WeakPolarHBondContact CA-O 3.4Å; Y271-N294 HydrophobicContact CE2-CB 3.68Å; Y271-N294 WeakPolarHBondContact OH-CB 3.36Å; Y271-E296 HydrophobicContact CE1-CG 4.23Å; Y271-E296 PolarHBondContact OH-OE1 3.01Å
272L98.1Very high96.5Very high7 Ų737.9 Ų37.94%0.03721%0.207CC..EExtended strand (participates in β ladder)trans-103.1118.2166.3-168150.6000108.3F175 W236 F274 S291 A292 M371F175-L272 HydrophobicContact CB-CD2 4.35Å; F175-L272 HydrophobicContact CD1-CD1 4.07Å; F175-L272 HydrophobicContact CE1-CD1 4.43Å; F175-L272 HydrophobicContact CG-CD1 4.25Å; W236-L272 HydrophobicContact CH2-CG 4.24Å; W236-L272 HydrophobicContact CZ3-CB 4.47Å; W236-L272 HydrophobicContact CZ3-CG 3.99Å; L272-F274 HydrophobicContact CD2-CD1 4.09Å; L272-F274 HydrophobicContact CD2-CE1 3.58Å; L272-F274 HydrophobicContact CD2-CE2 4.12Å; L272-F274 HydrophobicContact CD2-CZ 3.59Å; L272-S291 CarbonylContact O-C 3.47Å; L272-S291 VanDerWaalsContact O-CA 3.32Å; L272-S291 WeakPolarHBondContact O-CA 3.45Å; L272-A292 PolarHBondContact N-O 2.93Å; L272-A292 PolarHBondContact O-N 3.15Å; L272-M371 HydrophobicContact CD1-CE 3.51Å; L272-M371 HydrophobicContact CD2-CE 4.35Å
273R97.6Very high96.2Very high66 Ų6641 Ų4125%0.24922%0.22CC..EExtended strand (participates in β ladder)trans-93.3139-178.2-172.4-176.9178.5-70.35.3110.7W236 V289W236-R273 HydrophobicContact CB-CB 4.25Å; W236-R273 HydrophobicContact CD2-CB 3.63Å; W236-R273 HydrophobicContact CE3-CB 4.13Å; W236-R273 HydrophobicContact CG-CB 3.69Å; W236-R273 HydrophobicContact CZ2-CB 4.38Å; W236-R273 WeakPolarHBondContact CZ2-O 3.48Å; R273-V289 HydrophobicContact CG-CG1 3.97Å
274F97.8Very high96Very high2 Ų249 Ų491%0.00926%0.255CS..PPolyproline II helixtrans-100.5164.6177.3-59.2-82000111.6L272 V290 A292 Q368 M371 M372L272-F274 HydrophobicContact CD2-CD1 4.09Å; L272-F274 HydrophobicContact CD2-CE1 3.58Å; L272-F274 HydrophobicContact CD2-CE2 4.12Å; L272-F274 HydrophobicContact CD2-CZ 3.59Å; F274-V290 HydrophobicContact CB-CB 4.43Å; F274-V290 HydrophobicContact CD2-CB 3.99Å; F274-V290 HydrophobicContact CD2-CG1 3.89Å; F274-V290 WeakPolarHBondContact CD2-O 3.48Å; F274-V290 HydrophobicContact CE2-CG1 4.33Å; F274-V290 PolarHBondContact N-O 3.18Å; F274-A292 HydrophobicContact CE2-CB 3.91Å; F274-A292 HydrophobicContact CZ-CB 4.39Å; F274-Q368 HydrophobicContact CD1-CB 3.85Å; F274-Q368 HydrophobicContact CE1-CB 4.47Å; F274-M371 HydrophobicContact CE1-CB 3.87Å; F274-M371 HydrophobicContact CE1-CG 3.63Å; F274-M371 HydrophobicContact CZ-CG 4.37Å; F274-M372 HydrophobicContact CB-CE 3.68Å; F274-M372 HydrophobicContact CD1-CE 4.04Å; F274-M372 HydrophobicContact CD1-CG 3.88Å; F274-M372 HydrophobicContact CD2-CE 3.93Å; F274-M372 HydrophobicContact CD2-CG 3.9Å; F274-M372 HydrophobicContact CE1-CB 4.44Å; F274-M372 HydrophobicContact CE1-CG 3.61Å; F274-M372 HydrophobicContact CE2-CB 4.49Å; F274-M372 HydrophobicContact CE2-CG 3.66Å; F274-M372 HydrophobicContact CG-CE 3.6Å; F274-M372 HydrophobicContact CG-CG 4.01Å; F274-M372 HydrophobicContact CZ-CB 4.12Å; F274-M372 HydrophobicContact CZ-CG 3.5Å; F274-M372 VanDerWaalsContact CZ-CG 3.5Å
275D96.6Very high95.7Very high50 Ų5051.1 Ų51.127%0.26727%0.268SS..PPolyproline II helixtrans-63.3156.3170.3-71.6-41.2000110.7K168 S174 C277K168-D275 IonicContact NZ-OD1 3.35Å; K168-D275 PolarHBondContact NZ-OD1 3.39Å; S174-D275 WeakPolarHBondContact CB-OD2 2.98Å; S174-D275 PolarHBondContact OG-OD1 3.13Å; S174-D275 PolarHBondContact OG-OD2 3.32Å; D275-C277 PolarHBondContact O-N 2.99Å
276A95.8Very high95.5Very high83 Ų8346.5 Ų46.569%0.68624%0.24SC*.PPolyproline II helixtrans-59135176.900000110.1V289A276-V289 HydrophobicContact CB-CG2 4.4Å
277C96.6Very high95.4Very high15 Ų1549.5 Ų49.510%0.10126%0.26CS..EExtended strand (participates in β ladder)trans-148.5-167.7-175.452.50000109.9D275 V288 T365D275-C277 PolarHBondContact O-N 2.99Å; C277-V288 PolarHBondContact N-O 3.24Å; C277-V288 PolarHBondContact O-N 3.35Å; C277-T365 WeakPolarHBondContact CB-O 3.4Å
278V96.4Very high95.4Very high45 Ų4544.5 Ų44.527%0.27324%0.241SC..EExtended strand (participates in β ladder)trans-125.1149.9178.5-59.40000111.4C286 I364 T365V278-C286 CarbonylContact C-O 3.15Å; V278-C286 VanDerWaalsContact CA-O 3.25Å; V278-C286 WeakPolarHBondContact CA-O 3.37Å; V278-I364 CarbonylContact O-C 3.58Å; V278-T365 HydrophobicContact CG2-CG2 4.45Å; V278-T365 PolarHBondContact N-O 2.89Å; V278-T365 PolarHBondContact O-N 3.29Å
279A96.6Very high95.4Very high3 Ų345 Ų453%0.02525%0.245CC..EExtended strand (participates in β ladder)trans-131.1163.4173.600000111F281 D285 C286 V288 L299 T363 I364A279-F281 VanDerWaalsContact C-N 3.27Å; A279-D285 PolarHBondContact O-N 3.39Å; A279-C286 PolarHBondContact N-O 2.73Å; A279-C286 PolarHBondContact O-N 2.67Å; A279-V288 HydrophobicContact CB-CG1 4.05Å; A279-V288 HydrophobicContact CB-CG2 3.91Å; A279-L299 HydrophobicContact CB-CD2 4.06Å; A279-T363 CarbonylContact C-O 3.43Å; A279-T363 WeakPolarHBondContact CA-O 3.24Å; A279-I364 HydrophobicContact CB-CG1 4.25Å
280D95.1Very high95.4Very high55 Ų5543.9 Ų43.929%0.29424%0.241SC..SBendtrans-88.911172.465.92.2000113.9E283 V362 T363D280-E283 CarbonylContact C-O 3.56Å; D280-E283 WeakPolarHBondContact CA-O 3.48Å; D280-E283 CarbonylContact O-C 3.54Å; D280-V362 WeakPolarHBondContact OD1-CA 3.45Å; D280-T363 VanDerWaalsContact CG-N 3.29Å; D280-T363 PolarHBondContact N-O 3.06Å; D280-T363 PolarHBondContact OD1-N 2.68Å; D280-T363 WeakPolarHBondContact OD2-CB 3.45Å; D280-T363 PolarHBondContact OD2-N 3Å; D280-T363 PolarHBondContact OD2-OG1 2.9Å
281F93Very high95.4Very high41 Ų4143.5 Ų43.518%0.1824%0.236CC..SBendtrans-122.7133.8179.1-179.6-88000111A279 E283 L301 F313 M354 V362A279-F281 VanDerWaalsContact C-N 3.27Å; F281-E283 VanDerWaalsContact C-N 3.28Å; F281-E283 PolarHBondContact N-O 2.77Å; F281-L301 HydrophobicContact CD1-CD2 4.43Å; F281-L301 HydrophobicContact CE1-CD1 4.43Å; F281-L301 WeakPolarHBondContact O-CD2 3.5Å; F281-F313 HydrophobicContact CD1-CE2 4.17Å; F281-F313 AromaticContact CD1-CZ 3.67Å; F281-F313 HydrophobicContact CD1-CZ 3.67Å; F281-F313 HydrophobicContact CD2-CZ 4.2Å; F281-F313 HydrophobicContact CE1-CE2 4.26Å; F281-F313 AromaticContact CE1-CZ 3.71Å; F281-F313 HydrophobicContact CE1-CZ 3.71Å; F281-F313 HydrophobicContact CE2-CZ 4.24Å; F281-F313 AromaticContact CG-CZ 3.93Å; F281-F313 HydrophobicContact CG-CZ 3.93Å; F281-F313 AromaticContact CZ-CZ 4Å; F281-F313 HydrophobicContact CZ-CZ 4Å; F281-M354 HydrophobicContact CE2-CE 3.99Å; F281-V362 HydrophobicContact CB-CG1 3.86Å
282P89.7Confident95.4Very high70 Ų7042.6 Ų42.646%0.45523%0.233SC..SBendcis-77.4-12.3-1.633.2-36.1000113.2L301 L303P282-L301 HydrophobicContact CG-CD1 4.22Å; P282-L303 HydrophobicContact CG-CD2 4.26Å
283E90.6Very high95.4Very high103 Ų10342.2 Ų42.248%0.48123%0.231SC..SBendtrans-136.3163.5178.363.6-172.1163.900109.8D280 F281 C286D280-E283 CarbonylContact C-O 3.56Å; D280-E283 WeakPolarHBondContact CA-O 3.48Å; D280-E283 CarbonylContact O-C 3.54Å; F281-E283 VanDerWaalsContact C-N 3.28Å; F281-E283 PolarHBondContact N-O 2.77Å; E283-C286 HydrophobicContact CG-CB 4.3Å; E283-C286 WeakPolarHBondContact O-CB 3.21Å; E283-C286 PolarHBondContact O-N 3.38Å
284K92.9Very high95.3Very high168 Ų16843.5 Ų43.573%0.7324%0.243SC*.THydrogen-bonded Turntrans-61.2140-176.9-163.8-173.8172.3-176.20111.5C286K284-C286 PolarHBondContact O-N 2.64Å
285D92.1Very high95.3Very high86 Ų8644.4 Ų44.446%0.4625%0.249SC..THydrogen-bonded Turntrans58.129.6176-57.9-52.4000113.3A279 P287A279-D285 PolarHBondContact O-N 3.39Å; D285-P287 WeakPolarHBondContact O-CD 3.37Å
286C93.3Very high95.3Very high3 Ų343 Ų432%0.0224%0.241CC..EExtended strand (participates in β ladder)trans-67.5126.2177-171.50000110.4V278 A279 E283 K284 V288V278-C286 CarbonylContact C-O 3.15Å; V278-C286 VanDerWaalsContact CA-O 3.25Å; V278-C286 WeakPolarHBondContact CA-O 3.37Å; A279-C286 PolarHBondContact N-O 2.73Å; A279-C286 PolarHBondContact O-N 2.67Å; E283-C286 HydrophobicContact CG-CB 4.3Å; E283-C286 WeakPolarHBondContact O-CB 3.21Å; E283-C286 PolarHBondContact O-N 3.38Å; K284-C286 PolarHBondContact O-N 2.64Å; C286-V288 PolarHBondContact O-N 2.83Å
287P95.2Very high95.4Very high71 Ų7139 Ų3946%0.46121%0.208SC..EExtended strand (participates in β ladder)trans-68.3125.9175.1-19.532.7000111.4D285 R302D285-P287 WeakPolarHBondContact O-CD 3.37Å; P287-R302 PolarHBondContact O-N 2.96Å
288V96Very high95.5Very high4 Ų438.3 Ų38.32%0.02420%0.203CC..EExtended strand (participates in β ladder)trans-135.1155.2-176.1-58.70000112.7C277 A279 C286 V290 Q300 L301C277-V288 PolarHBondContact N-O 3.24Å; C277-V288 PolarHBondContact O-N 3.35Å; A279-V288 HydrophobicContact CB-CG1 4.05Å; A279-V288 HydrophobicContact CB-CG2 3.91Å; C286-V288 PolarHBondContact O-N 2.83Å; V288-V290 HydrophobicContact CG2-CG2 4.02Å; V288-Q300 VanDerWaalsContact CA-O 3.31Å; V288-Q300 WeakPolarHBondContact CA-O 3.27Å; V288-L301 HydrophobicContact CG1-CD2 3.52Å
289V96.4Very high95.5Very high21 Ų2136.1 Ų36.113%0.12719%0.19CC..EExtended strand (participates in β ladder)trans-112.7120.3160.2173.90000107.6R273 A276 Q300R273-V289 HydrophobicContact CG-CG1 3.97Å; A276-V289 HydrophobicContact CB-CG2 4.4Å; V289-Q300 HydrophobicContact CB-CB 4.34Å; V289-Q300 PolarHBondContact N-O 3.34Å; V289-Q300 PolarHBondContact O-N 3.11Å
290V98.1Very high95.4Very high0 Ų037.1 Ų37.10%019%0.194CC..EExtended strand (participates in β ladder)trans-93.1141.9178.7-175.80000109.1F274 V288 L297 S298 L299 I364 M372F274-V290 HydrophobicContact CB-CB 4.43Å; F274-V290 HydrophobicContact CD2-CB 3.99Å; F274-V290 HydrophobicContact CD2-CG1 3.89Å; F274-V290 WeakPolarHBondContact CD2-O 3.48Å; F274-V290 HydrophobicContact CE2-CG1 4.33Å; F274-V290 PolarHBondContact N-O 3.18Å; V288-V290 HydrophobicContact CG2-CG2 4.02Å; V290-L297 HydrophobicContact CG1-CD2 4.36Å; V290-S298 CarbonylContact C-O 3.51Å; V290-S298 WeakPolarHBondContact CA-O 3.18Å; V290-L299 HydrophobicContact CG1-CD1 4.17Å; V290-L299 HydrophobicContact CG2-CD1 4.21Å; V290-L299 HydrophobicContact CG2-CG 4.18Å; V290-I364 HydrophobicContact CG1-CD1 4.34Å; V290-I364 HydrophobicContact CG2-CD1 4.01Å; V290-I364 HydrophobicContact CG2-CG2 4.04Å; V290-M372 HydrophobicContact CB-CE 3.82Å; V290-M372 HydrophobicContact CG1-CE 4.11Å; V290-M372 HydrophobicContact CG1-SD 4.24Å; V290-M372 HydrophobicContact CG2-CE 3.96Å
291S98.1Very high95.2Very high1 Ų134.9 Ų34.91%0.00718%0.182CC..EExtended strand (participates in β ladder)trans-136.8138.3168.3-56.40000109.6L272 S298L272-S291 CarbonylContact O-C 3.47Å; L272-S291 VanDerWaalsContact O-CA 3.32Å; L272-S291 WeakPolarHBondContact O-CA 3.45Å; S291-S298 PolarHBondContact N-O 2.92Å; S291-S298 PolarHBondContact O-N 3.43Å
292A98.5Very high94.6Very high0 Ų041.5 Ų41.50%021%0.206CC..EExtended strand (participates in β ladder)trans-110131.7177.100000110.1W206 Y271 L272 F274 L297 C375 M379W206-A292 HydrophobicContact CH2-CB 4.47Å; W206-A292 HydrophobicContact CZ3-CB 4.49Å; W206-A292 WeakPolarHBondContact CZ3-O 3.44Å; Y271-A292 CarbonylContact C-O 3.6Å; Y271-A292 WeakPolarHBondContact CA-O 3.4Å; L272-A292 PolarHBondContact N-O 2.93Å; L272-A292 PolarHBondContact O-N 3.15Å; F274-A292 HydrophobicContact CE2-CB 3.91Å; F274-A292 HydrophobicContact CZ-CB 4.39Å; A292-L297 HydrophobicContact CB-CD2 3.57Å; A292-C375 HydrophobicContact CB-CB 3.69Å; A292-M379 HydrophobicContact CB-CE 4.15Å
293G97.8Very high93.9Very high0 Ų039.5 Ų39.50%019%0.191CC..EExtended strand (participates in β ladder)trans171.5168.5178.600000110.9S295 E296G293-S295 PolarHBondContact O-N 2.82Å; G293-E296 PolarHBondContact N-O 3.17Å; G293-E296 VanDerWaalsContact N-O 3.12Å; G293-E296 WeakPolarHBondContact O-CG 3.31Å; G293-E296 PolarHBondContact O-N 2.89Å; G293-E296 VanDerWaalsContact O-O 3.07Å
294N95.3Very high93.1Very high92 Ų9240.1 Ų40.149%0.49221%0.205SC..THydrogen-bonded Turntrans49.537.2176.7-170.132.9000114.6Y271 E296 R314Y271-N294 HydrophobicContact CE2-CB 3.68Å; Y271-N294 WeakPolarHBondContact OH-CB 3.36Å; N294-E296 VanDerWaalsContact C-N 3.3Å; N294-E296 HydrophobicContact CB-CG 4.49Å; N294-E296 PolarHBondContact O-N 3.32Å; N294-R314 PolarHBondContact O-NH1 3.05Å
295S96.6Very high91.9Very high21 Ų2135.7 Ų35.715%0.14721%0.206CC..THydrogen-bonded Turntrans58.236.1-176.3-52.30000114.3G293 V315 M379G293-S295 PolarHBondContact O-N 2.82Å; S295-V315 WeakPolarHBondContact O-CB 3.45Å; S295-V315 WeakPolarHBondContact O-CG2 3.26Å; S295-V315 PolarHBondContact O-N 2.92Å; S295-M379 VanDerWaalsContact CA-SD 3.6Å
296E97.6Very high90.6Very high20 Ų2040.4 Ų40.49%0.09323%0.225CC..EExtended strand (participates in β ladder)trans-149.9161.3176.158.1-178.4-140.200113.3Y271 G293 N294 S312 F313 R314Y271-E296 HydrophobicContact CE1-CG 4.23Å; Y271-E296 PolarHBondContact OH-OE1 3.01Å; G293-E296 PolarHBondContact N-O 3.17Å; G293-E296 VanDerWaalsContact N-O 3.12Å; G293-E296 WeakPolarHBondContact O-CG 3.31Å; G293-E296 PolarHBondContact O-N 2.89Å; G293-E296 VanDerWaalsContact O-O 3.07Å; N294-E296 VanDerWaalsContact C-N 3.3Å; N294-E296 HydrophobicContact CB-CG 4.49Å; N294-E296 PolarHBondContact O-N 3.32Å; E296-S312 PolarHBondContact OE1-OG 2.87Å; E296-S312 PolarHBondContact OE2-OG 3.43Å; E296-F313 CarbonylContact C-O 3.51Å; E296-F313 WeakPolarHBondContact CA-O 2.9Å; E296-F313 VanDerWaalsContact CB-O 3.32Å; E296-F313 WeakPolarHBondContact CB-O 3.36Å; E296-R314 IonicContact OE2-NH1 3.06Å
297L98.3Very high89.3Confident0 Ų046 Ų460%025%0.251CS..EExtended strand (participates in β ladder)trans-100.8122.2158.4-68.3-177.2000109.3V290 A292 L299 F313 M318 L348 F350 I364 L376V290-L297 HydrophobicContact CG1-CD2 4.36Å; A292-L297 HydrophobicContact CB-CD2 3.57Å; L297-L299 HydrophobicContact CB-CD1 4.24Å; L297-F313 HydrophobicContact CB-CB 4.47Å; L297-F313 PolarHBondContact N-O 3.38Å; L297-F313 PolarHBondContact O-N 3.14Å; L297-M318 HydrophobicContact CB-CE 4.28Å; L297-M318 HydrophobicContact CD1-CE 4.08Å; L297-M318 HydrophobicContact CG-CE 4.09Å; L297-L348 HydrophobicContact CD1-CD2 4.33Å; L297-F350 HydrophobicContact CD1-CD1 4.3Å; L297-F350 HydrophobicContact CD1-CE1 4.06Å; L297-I364 HydrophobicContact CD1-CD1 4.45Å; L297-L376 HydrophobicContact CD1-CD1 4.21Å; L297-L376 HydrophobicContact CD1-CD2 3.9Å; L297-L376 HydrophobicContact CD1-CG 4.24Å; L297-L376 HydrophobicContact CD2-CD2 4.2Å; L297-L376 HydrophobicContact CG-CD2 3.79Å
298S97.7Very high88.5Confident0 Ų047.8 Ų47.80%026%0.256CS..EExtended strand (participates in β ladder)trans-98.8120.1174.3177.30000109.7H268 V290 S291 E310H268-S298 PolarHBondContact NE2-OG 3.43Å; V290-S298 CarbonylContact C-O 3.51Å; V290-S298 WeakPolarHBondContact CA-O 3.18Å; S291-S298 PolarHBondContact N-O 2.92Å; S291-S298 PolarHBondContact O-N 3.43Å; S298-E310 VanDerWaalsContact OG-CD 3.28Å; S298-E310 PolarHBondContact OG-OE1 2.78Å
299L96.8Very high88Confident0 Ų054.7 Ų54.70%028%0.282CS..EExtended strand (participates in β ladder)trans-106.2105.4175.8-8762.9000109A279 V290 L297 L301 E310 G311 F313 I364A279-L299 HydrophobicContact CB-CD2 4.06Å; V290-L299 HydrophobicContact CG1-CD1 4.17Å; V290-L299 HydrophobicContact CG2-CD1 4.21Å; V290-L299 HydrophobicContact CG2-CG 4.18Å; L297-L299 HydrophobicContact CB-CD1 4.24Å; L299-L301 HydrophobicContact CB-CD2 4.23Å; L299-L301 PolarHBondContact O-N 3.32Å; L299-E310 WeakPolarHBondContact O-CA 3.17Å; L299-G311 PolarHBondContact N-O 3.18Å; L299-G311 PolarHBondContact O-N 3.39Å; L299-F313 HydrophobicContact CB-CE2 4.37Å; L299-F313 HydrophobicContact CD1-CD2 4.08Å; L299-F313 HydrophobicContact CD1-CE2 4.25Å; L299-F313 HydrophobicContact CD2-CE2 3.98Å; L299-F313 HydrophobicContact CG-CE2 4.42Å; L299-I364 HydrophobicContact CD1-CD1 4.17Å; L299-I364 HydrophobicContact CD2-CD1 4.49Å; L299-I364 HydrophobicContact CD2-CG1 4.49Å
300Q93.6Very high87.5Confident24 Ų2457.2 Ų57.211%0.11229%0.292CS..EExtended strand (participates in β ladder)trans-81.6108169.5-65.6-179.117.900109.1H268 V288 V289 R309H268-Q300 PolarHBondContact CE1-NE2 3.49Å; H268-Q300 VanDerWaalsContact CE1-NE2 3.32Å; H268-Q300 PolarHBondContact ND1-NE2 2.79Å; V288-Q300 VanDerWaalsContact CA-O 3.31Å; V288-Q300 WeakPolarHBondContact CA-O 3.27Å; V289-Q300 HydrophobicContact CB-CB 4.34Å; V289-Q300 PolarHBondContact N-O 3.34Å; V289-Q300 PolarHBondContact O-N 3.11Å; Q300-R309 CarbonylContact C-O 3.5Å
301L91.1Very high87.2Confident7 Ų757.7 Ų57.74%0.03730%0.297CS..EExtended strand (participates in β ladder)trans-84.1133.4-177.5-48.9171.9000109.9F281 P282 V288 L299 R309F281-L301 HydrophobicContact CD1-CD2 4.43Å; F281-L301 HydrophobicContact CE1-CD1 4.43Å; F281-L301 WeakPolarHBondContact O-CD2 3.5Å; P282-L301 HydrophobicContact CG-CD1 4.22Å; V288-L301 HydrophobicContact CG1-CD2 3.52Å; L299-L301 HydrophobicContact CB-CD2 4.23Å; L299-L301 PolarHBondContact O-N 3.32Å; L301-R309 HydrophobicContact CB-CB 4.26Å; L301-R309 WeakPolarHBondContact CB-O 3.48Å; L301-R309 HydrophobicContact CD1-CB 3.94Å; L301-R309 PolarHBondContact N-O 3.12Å; L301-R309 PolarHBondContact O-N 3.38Å
302R81.8Confident87.1Confident180 Ų18060.1 Ų60.168%0.67931%0.314SS*.EExtended strand (participates in β ladder)trans-106.594.1170.5-175.7174.3-79.2171.6-5.2109.5P287P287-R302 PolarHBondContact O-N 2.96Å
303L74.9Confident87Confident28 Ų2860.3 Ų60.315%0.14732%0.315CS..  trans-82.6158.9-179.6-63.8177.2000112.3P282 G305 Q306 Q307 R309P282-L303 HydrophobicContact CG-CD2 4.26Å; L303-G305 PolarHBondContact O-N 3.35Å; L303-Q306 PolarHBondContact O-N 2.71Å; L303-Q307 PolarHBondContact N-O 2.77Å; L303-R309 HydrophobicContact CD1-CB 4.36Å; L303-R309 HydrophobicContact CD1-CG 3.88Å
304P72.3Confident87Confident117 Ų11765.1 Ų65.176%0.7633%0.333SS*.THydrogen-bonded Turntrans-51.9131170.5-2534.3000111.2
305G69.1Low87Confident74 Ų7460.7 Ų60.776%0.76331%0.31SS*.THydrogen-bonded Turntrans9115.5-175.400000115.7L303 Q307L303-G305 PolarHBondContact O-N 3.35Å; G305-Q307 PolarHBondContact O-N 2.91Å; G305-Q307 VanDerWaalsContact O-N 3.14Å
306Q63.5Low86.9Confident185 Ų18561.8 Ų61.886%0.86432%0.315SS*.SBendtrans61.315.9177.9-57.6-173.12.300115.3L303 L308L303-Q306 PolarHBondContact O-N 2.71Å; Q306-L308 PolarHBondContact O-N 3.13Å
307Q67.9Low86.8Confident121 Ų12162.4 Ų62.457%0.56532%0.317SS*.  trans-70.5117170.6-73.1-170.65.900109.5L303 G305L303-Q307 PolarHBondContact N-O 2.77Å; G305-Q307 PolarHBondContact O-N 2.91Å; G305-Q307 VanDerWaalsContact O-N 3.14Å
308L76.6Confident86.7Confident108 Ų10862.4 Ų62.457%0.56532%0.317SS*.EExtended strand (participates in β ladder)trans-82.2120.6171.5-152.288.9000108.2Q306Q306-L308 PolarHBondContact O-N 3.13Å
309R85.3Confident86.5Confident149 Ų14967.3 Ų67.356%0.56234%0.336SS*.EExtended strand (participates in β ladder)trans-116.5157168-70.4-164.7-175-173.4-1.3109.4Q300 L301 L303Q300-R309 CarbonylContact C-O 3.5Å; L301-R309 HydrophobicContact CB-CB 4.26Å; L301-R309 WeakPolarHBondContact CB-O 3.48Å; L301-R309 HydrophobicContact CD1-CB 3.94Å; L301-R309 PolarHBondContact N-O 3.12Å; L301-R309 PolarHBondContact O-N 3.38Å; L303-R309 HydrophobicContact CD1-CB 4.36Å; L303-R309 HydrophobicContact CD1-CG 3.88Å
310E87.1Confident86.2Confident74 Ų7467.8 Ų67.835%0.34634%0.338SS..EExtended strand (participates in β ladder)trans-123.9129.4175.9-172.7172-103.200109.7R267 H268 S298 L299R267-E310 IonicContact CZ-OE1 3.74Å; R267-E310 IonicContact CZ-OE2 2.77Å; R267-E310 IonicContact NE-OE2 3.96Å; R267-E310 IonicContact NH1-OE1 2.69Å; R267-E310 IonicContact NH2-OE1 3.49Å; R267-E310 PolarHBondContact NH2-OE1 2.95Å; R267-E310 IonicContact NH2-OE2 3.82Å; R267-E310 PolarHBondContact NH2-OE2 2.88Å; H268-E310 IonicContact CE1-OE1 2.63Å; H268-E310 PolarHBondContact CE1-OE1 3.19Å; H268-E310 VanDerWaalsContact CE1-OE1 3.26Å; H268-E310 IonicContact NE2-OE1 2.89Å; H268-E310 PolarHBondContact NE2-OE1 3.4Å; S298-E310 VanDerWaalsContact OG-CD 3.28Å; S298-E310 PolarHBondContact OG-OE1 2.78Å; L299-E310 WeakPolarHBondContact O-CA 3.17Å
311G91.1Very high86.3Confident10 Ų1066.7 Ų66.710%0.10333%0.333CS..EExtended strand (participates in β ladder)trans-99.4127.5161.800000109L299L299-G311 PolarHBondContact N-O 3.18Å; L299-G311 PolarHBondContact O-N 3.39Å
312S95.4Very high86.3Confident52 Ų5269.9 Ų69.936%0.36435%0.345SS..EExtended strand (participates in β ladder)trans-109.2125.3171.1173.90000109.9E296E296-S312 PolarHBondContact OE1-OG 2.87Å; E296-S312 PolarHBondContact OE2-OG 3.43Å
313F97.3Very high86.6Confident5 Ų563.3 Ų63.32%0.02233%0.325CS..EExtended strand (participates in β ladder)trans-116.6102.4-177.7-62.6-88.2000109.9F281 E296 L297 L299 M318 F350 Y352 V362F281-F313 HydrophobicContact CD1-CE2 4.17Å; F281-F313 AromaticContact CD1-CZ 3.67Å; F281-F313 HydrophobicContact CD1-CZ 3.67Å; F281-F313 HydrophobicContact CD2-CZ 4.2Å; F281-F313 HydrophobicContact CE1-CE2 4.26Å; F281-F313 AromaticContact CE1-CZ 3.71Å; F281-F313 HydrophobicContact CE1-CZ 3.71Å; F281-F313 HydrophobicContact CE2-CZ 4.24Å; F281-F313 AromaticContact CG-CZ 3.93Å; F281-F313 HydrophobicContact CG-CZ 3.93Å; F281-F313 AromaticContact CZ-CZ 4Å; F281-F313 HydrophobicContact CZ-CZ 4Å; E296-F313 CarbonylContact C-O 3.51Å; E296-F313 WeakPolarHBondContact CA-O 2.9Å; E296-F313 VanDerWaalsContact CB-O 3.32Å; E296-F313 WeakPolarHBondContact CB-O 3.36Å; L297-F313 HydrophobicContact CB-CB 4.47Å; L297-F313 PolarHBondContact N-O 3.38Å; L297-F313 PolarHBondContact O-N 3.14Å; L299-F313 HydrophobicContact CB-CE2 4.37Å; L299-F313 HydrophobicContact CD1-CD2 4.08Å; L299-F313 HydrophobicContact CD1-CE2 4.25Å; L299-F313 HydrophobicContact CD2-CE2 3.98Å; L299-F313 HydrophobicContact CG-CE2 4.42Å; F313-M318 HydrophobicContact CB-CE 3.74Å; F313-M318 WeakPolarHBondContact O-CE 3.31Å; F313-F350 HydrophobicContact CB-CE2 4Å; F313-F350 HydrophobicContact CB-CZ 4.11Å; F313-F350 AromaticContact CD1-CE2 3.67Å; F313-F350 HydrophobicContact CD1-CE2 3.67Å; F313-F350 AromaticContact CD1-CZ 3.96Å; F313-F350 HydrophobicContact CD1-CZ 3.96Å; F313-F350 HydrophobicContact CD2-CZ 4.14Å; F313-F350 HydrophobicContact CE1-CE2 4.28Å; F313-F350 HydrophobicContact CE1-CZ 4.4Å; F313-F350 AromaticContact CG-CE2 3.85Å; F313-F350 HydrophobicContact CG-CE2 3.85Å; F313-F350 AromaticContact CG-CZ 3.8Å; F313-F350 HydrophobicContact CG-CZ 3.8Å; F313-Y352 WeakPolarHBondContact CA-OH 3.34Å; F313-Y352 HydrophobicContact CB-CD2 4.09Å; F313-Y352 HydrophobicContact CB-CE2 3.65Å; F313-Y352 AromaticContact CD1-CD1 3.83Å; F313-Y352 HydrophobicContact CD1-CD1 3.83Å; F313-Y352 AromaticContact CD1-CD2 3.82Å; F313-Y352 HydrophobicContact CD1-CD2 3.82Å; F313-Y352 AromaticContact CD1-CE1 3.87Å; F313-Y352 HydrophobicContact CD1-CE1 3.87Å; F313-Y352 AromaticContact CD1-CE2 3.86Å; F313-Y352 HydrophobicContact CD1-CE2 3.86Å; F313-Y352 AromaticContact CD1-CG 3.79Å; F313-Y352 HydrophobicContact CD1-CG 3.79Å; F313-Y352 AromaticContact CD1-CZ 3.88Å; F313-Y352 HydrophobicContact CE1-CD1 4.3Å; F313-Y352 HydrophobicContact CE1-CG 4.46Å; F313-Y352 HydrophobicContact CG-CD2 4.46Å; F313-Y352 HydrophobicContact CG-CE2 4.26Å; F313-V362 HydrophobicContact CE1-CG2 3.94Å; F313-V362 HydrophobicContact CZ-CG2 4.32Å
314R97.3Very high87.2Confident100 Ų10063.8 Ų63.838%0.37733%0.329SS..EExtended strand (participates in β ladder)trans-68.1132.6-179-59.3-72.7-80175.1-0.8110.7N294 E296 T316 R317 Y352N294-R314 PolarHBondContact O-NH1 3.05Å; E296-R314 IonicContact OE2-NH1 3.06Å; R314-T316 PolarHBondContact O-N 3.48Å; R314-R317 HydrophobicContact CB-CG 4.29Å; R314-R317 PolarHBondContact O-N 3.22Å; R314-Y352 PolarHBondContact N-OH 2.72Å; R314-Y352 WeakPolarHBondContact O-CE2 3.47Å
315V95.6Very high87.7Confident0 Ų061.7 Ų61.70%032%0.317CS..G310 helixtrans-57.2-38.3179.21710000111.3S295 R317 M318 L376 M379 V380 L383 F462S295-V315 WeakPolarHBondContact O-CB 3.45Å; S295-V315 WeakPolarHBondContact O-CG2 3.26Å; S295-V315 PolarHBondContact O-N 2.92Å; V315-R317 PolarHBondContact O-N 3.08Å; V315-R317 VanDerWaalsContact O-N 3.07Å; V315-M318 WeakPolarHBondContact O-CB 3.39Å; V315-M318 PolarHBondContact O-N 3.09Å; V315-L376 HydrophobicContact CG2-CD2 3.97Å; V315-M379 HydrophobicContact CG2-CB 4.19Å; V315-M379 HydrophobicContact CG2-CE 3.67Å; V315-M379 HydrophobicContact CG2-SD 4.16Å; V315-V380 HydrophobicContact CG1-CG2 3.37Å; V315-L383 HydrophobicContact CG1-CD1 4.35Å; V315-F462 HydrophobicContact CG1-CE2 4.35Å; V315-F462 WeakPolarHBondContact O-CE2 3.18Å
316T94.3Very high88.1Confident43 Ų4360.2 Ų60.226%0.26430%0.295SS..G310 helixtrans-60.4-18.6178.655.40000114.3R314 L383 F462R314-T316 PolarHBondContact O-N 3.48Å; T316-L383 HydrophobicContact CG2-CD1 4.2Å; T316-F462 VanDerWaalsContact CA-CE2 3.48Å; T316-F462 HydrophobicContact CG2-CZ 4.24Å
317R95.6Very high88Confident34 Ų3457.3 Ų57.313%0.12829%0.29CS..G310 helixtrans-1031.7-179.8-61.5176.169.5113.7-4.8113.2R314 V315 Y352 L353 D469 L470R314-R317 HydrophobicContact CB-CG 4.29Å; R314-R317 PolarHBondContact O-N 3.22Å; V315-R317 PolarHBondContact O-N 3.08Å; V315-R317 VanDerWaalsContact O-N 3.07Å; R317-Y352 HydrophobicContact CB-CD2 4.2Å; R317-Y352 HydrophobicContact CB-CE1 4.41Å; R317-Y352 HydrophobicContact CB-CE2 3.63Å; R317-Y352 WeakPolarHBondContact CD-OH 3.44Å; R317-L353 HydrophobicContact CB-CB 4.39Å; R317-L353 PolarHBondContact NE-O 2.78Å; R317-L353 PolarHBondContact NH2-O 3.05Å; R317-L353 PolarHBondContact O-N 3.47Å; R317-D469 PolarHBondContact NH1-O 3.23Å; R317-L470 PolarHBondContact NH1-O 3.32Å
318M96.6Very high87.5Confident0 Ų055 Ų550%029%0.285CS..EExtended strand (participates in β ladder)trans-87.6116.3174.4-64.3178.2-17800108.6L297 F313 V315 F350 E351 Y352 L376 A461 I465L297-M318 HydrophobicContact CB-CE 4.28Å; L297-M318 HydrophobicContact CD1-CE 4.08Å; L297-M318 HydrophobicContact CG-CE 4.09Å; F313-M318 HydrophobicContact CB-CE 3.74Å; F313-M318 WeakPolarHBondContact O-CE 3.31Å; V315-M318 WeakPolarHBondContact O-CB 3.39Å; V315-M318 PolarHBondContact O-N 3.09Å; M318-F350 HydrophobicContact CE-CD2 3.85Å; M318-F350 HydrophobicContact CE-CE2 3.91Å; M318-F350 HydrophobicContact CE-CG 4.19Å; M318-F350 HydrophobicContact CE-CZ 4.3Å; M318-F350 HydrophobicContact CG-CD2 4.01Å; M318-F350 HydrophobicContact SD-CB 4.3Å; M318-F350 HydrophobicContact SD-CD2 4.16Å; M318-F350 HydrophobicContact SD-CG 4.24Å; M318-E351 CarbonylContact C-O 3.58Å; M318-E351 WeakPolarHBondContact CA-O 2.94Å; M318-Y352 HydrophobicContact CG-CD2 3.85Å; M318-Y352 HydrophobicContact CG-CE2 4.3Å; M318-L376 HydrophobicContact CE-CD2 4.05Å; M318-L376 HydrophobicContact SD-CD1 4.23Å; M318-L376 HydrophobicContact SD-CD2 3.58Å; M318-L376 VanDerWaalsContact SD-CD2 3.58Å; M318-A461 WeakPolarHBondContact O-CB 3.39Å; M318-I465 VanDerWaalsContact C-CD1 3.4Å; M318-I465 WeakPolarHBondContact O-CD1 3.04Å
319R93.1Very high86.2Confident103 Ų10356 Ų5639%0.38929%0.29SS..EExtended strand (participates in β ladder)trans-68-48.8176.8-173.9169.272.4173.24.4111.1E351 L359 A461 I465R319-E351 HydrophobicContact CB-CB 4.5Å; R319-E351 IonicContact CZ-OE1 3.54Å; R319-E351 IonicContact CZ-OE2 3.6Å; R319-E351 PolarHBondContact N-O 2.82Å; R319-E351 IonicContact NE-OE1 3.33Å; R319-E351 IonicContact NE-OE2 3.87Å; R319-E351 PolarHBondContact NE-OE2 3Å; R319-E351 IonicContact NH2-OE1 2.57Å; R319-E351 PolarHBondContact NH2-OE1 2.84Å; R319-E351 IonicContact NH2-OE2 3.51Å; R319-E351 PolarHBondContact NH2-OE2 3.41Å; R319-L359 HydrophobicContact CB-CD2 4.37Å; R319-L359 VanDerWaalsContact CZ-CD1 3.48Å; R319-A461 PolarHBondContact O-N 3.28Å; R319-I465 HydrophobicContact CB-CD1 3.9Å; R319-I465 VanDerWaalsContact N-CD1 3.34Å
320C91.6Very high84.5Confident9 Ų954.5 Ų54.56%0.06130%0.3CS..EExtended strand (participates in β ladder)trans-156.5169.4176.363.40000110.7F350 E351 N459 F460C320-F350 WeakPolarHBondContact O-CA 3.45Å; C320-E351 PolarHBondContact O-N 2.88Å; C320-N459 CarbonylContact C-O 3.57Å; C320-N459 WeakPolarHBondContact CA-O 3.5Å; C320-N459 WeakPolarHBondContact CB-O 3.29Å; C320-F460 HydrophobicContact CB-CD1 4.09Å; C320-F460 HydrophobicContact CB-CE1 4.49Å; C320-F460 HydrophobicContact CB-CG 4.47Å
321W95.2Very high82.6Confident1 Ų155.1 Ų55.10%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-140.8160.6168.365.888000111.6L348 A349 F350 S373 L376 Q377 V380 N459 A461W321-L348 HydrophobicContact CB-CD1 4.09Å; W321-L348 HydrophobicContact CG-CD1 4.25Å; W321-A349 CarbonylContact C-O 3.57Å; W321-A349 WeakPolarHBondContact CA-O 3.31Å; W321-A349 WeakPolarHBondContact CB-O 3.33Å; W321-F350 HydrophobicContact CB-CB 3.74Å; W321-S373 PolarHBondContact NE1-OG 3.09Å; W321-L376 HydrophobicContact CB-CD1 4.21Å; W321-L376 HydrophobicContact CD2-CB 4.21Å; W321-L376 HydrophobicContact CD2-CD1 3.8Å; W321-L376 HydrophobicContact CE3-CB 4.37Å; W321-L376 HydrophobicContact CE3-CD1 4.13Å; W321-L376 HydrophobicContact CG-CD1 3.81Å; W321-L376 HydrophobicContact CH2-CB 4.14Å; W321-L376 HydrophobicContact CZ2-CB 3.96Å; W321-L376 HydrophobicContact CZ3-CB 4.31Å; W321-Q377 HydrophobicContact CZ2-CB 4.16Å; W321-V380 HydrophobicContact CH2-CG2 3.86Å; W321-V380 HydrophobicContact CZ3-CG2 4.05Å; W321-N459 HydrophobicContact CD2-CB 4.07Å; W321-N459 HydrophobicContact CG-CB 4.37Å; W321-N459 HydrophobicContact CZ2-CB 3.91Å; W321-N459 PolarHBondContact N-O 3.44Å; W321-N459 PolarHBondContact NE1-ND2 2.97Å; W321-N459 VanDerWaalsContact NE1-ND2 3.1Å; W321-N459 PolarHBondContact O-N 2.83Å; W321-A461 HydrophobicContact CE3-CB 4.28Å; W321-A461 HydrophobicContact CH2-CB 4.46Å; W321-A461 HydrophobicContact CZ3-CB 3.57Å
322R90.1Very high80.4Confident74 Ų7457.3 Ų57.328%0.27934%0.335SS..EExtended strand (participates in β ladder)trans-138.1148.4178.157.3171.9175.7-155.15.6110.6L348 A349 W361 V456R322-L348 WeakPolarHBondContact O-CA 3.25Å; R322-A349 HydrophobicContact CG-CB 3.91Å; R322-A349 PolarHBondContact N-O 3.4Å; R322-A349 PolarHBondContact O-N 3.44Å; R322-W361 HydrophobicContact CG-CH2 4.32Å; R322-W361 HydrophobicContact CG-CZ3 3.94Å; R322-V456 HydrophobicContact CB-CG1 4.04Å; R322-V456 HydrophobicContact CG-CG1 4.34Å
323V89.6Confident77.7Confident42 Ų4260.7 Ų60.726%0.25536%0.359SS..EExtended strand (participates in β ladder)trans-110.3124.9168.9179.30000107.7E347 L348 A369 I370 S373V323-E347 CarbonylContact C-O 3.58Å; V323-E347 VanDerWaalsContact CA-O 3.29Å; V323-E347 WeakPolarHBondContact CA-O 3.44Å; V323-L348 HydrophobicContact CG2-CD1 4.12Å; V323-A369 HydrophobicContact CG1-CB 4.36Å; V323-I370 HydrophobicContact CG1-CG1 4.09Å; V323-S373 VanDerWaalsContact CG2-CB 3.5Å
324T86.6Confident74.8Confident38 Ų3866.3 Ų66.323%0.23339%0.394CS..EExtended strand (participates in β ladder)trans-117.4148.7177.946.10000110.1L346 E347 V456T324-L346 WeakPolarHBondContact O-CA 3.31Å; T324-E347 PolarHBondContact N-O 2.98Å; T324-E347 PolarHBondContact O-N 3.01Å; T324-E347 WeakPolarHBondContact OG1-CB 3.43Å; T324-V456 HydrophobicContact CG2-CG1 4.44Å
325S82.8Confident71.9Confident73 Ų7367.4 Ų67.451%0.5142%0.417SS..EExtended strand (participates in β ladder)trans-128.7130.5179-179.20000108.2V344 R345S325-V344 WeakPolarHBondContact OG-CG1 3.36Å; S325-R345 CarbonylContact C-O 3.57Å; S325-R345 WeakPolarHBondContact CA-O 3.4Å
326S77.8Confident68.8Low43 Ų4372 Ų7230%0.30145%0.449SS..PPolyproline II helixtrans-73.9154.5167.175.60000110.3R345S326-R345 PolarHBondContact N-O 2.97Å; S326-R345 VanDerWaalsContact OG-CB 3.31Å; S326-R345 WeakPolarHBondContact OG-CB 3.3Å; S326-R345 PolarHBondContact OG-N 3Å; S326-R345 VanDerWaalsContact OG-N 3.14Å
327V60.6Low66Low124 Ų12476.8 Ų76.875%0.75248%0.481SS*.PPolyproline II helixtrans-60.1139165.6-173.90000108L329V327-L329 PolarHBondContact O-N 3.18Å
328P57.4Low63.1Low72 Ų7278.7 Ų78.747%0.46851%0.511SS..PPolyproline II helixtrans-56.7122.9177-18.927.6000110.1V344P328-V344 HydrophobicContact CB-CG2 4.48Å; P328-V344 HydrophobicContact CG-CG2 4.07Å
329L50.3Low60.4Low129 Ų12988.9 Ų88.968%0.67555%0.549SS*.PPolyproline II helixtrans-69.4139.4171.2-71.8163.2000108.5V327 S331V327-L329 PolarHBondContact O-N 3.18Å; L329-S331 PolarHBondContact O-N 3.48Å
330P50.3Low57.5Low118 Ų11888 Ų8877%0.76657%0.572SS**PPolyproline II helixtrans-55.8127.7170.5-17.828.9000108.4G332P330-G332 PolarHBondContact O-N 3.45Å
331S47.1Very low55.7Low87 Ų8795.5 Ų95.561%0.60860%0.599SS**PPolyproline II helixtrans-48120.1178.8-179.70000109.4L329 S333L329-S331 PolarHBondContact O-N 3.48Å; S331-S333 PolarHBondContact O-N 2.89Å
332G43.6Very low53.7Low57 Ų5796.8 Ų96.859%0.58861%0.613SS**PPolyproline II helixtrans-52136.1173.400000109.8P330 T334P330-G332 PolarHBondContact O-N 3.45Å; G332-T334 VanDerWaalsContact C-N 3.32Å; G332-T334 PolarHBondContact O-N 3.42Å
333S39.3Very low52.3Low123 Ų123101.1 Ų101.186%0.8664%0.636SS**SBendtrans-64.685.7-17955.40000111.3S331S331-S333 PolarHBondContact O-N 2.89Å
334T36.5Very low51.5Low122 Ų122102.2 Ų102.275%0.74864%0.643SS**  trans-136.4114.4158.850.20000108.5G332 S336G332-T334 VanDerWaalsContact C-N 3.32Å; G332-T334 PolarHBondContact O-N 3.42Å; T334-S336 PolarHBondContact O-N 3.48Å
335S36Very low51.4Low124 Ų124106 Ų10687%0.86765%0.653SS**  trans-51.498.517848.80000112
336S31.3Very low51.8Low96 Ų96103.7 Ų103.767%0.67164%0.635SS**  trans-142.1111.5160.5-74.80000107.4T334 G338T334-S336 PolarHBondContact O-N 3.48Å; S336-G338 PolarHBondContact O-N 3.01Å
337P35.5Very low52.6Low144 Ų144104 Ų10494%0.93563%0.631SS**THydrogen-bonded Turntrans-74.799.1-176.928.8-29000108.5
338G33.6Very low54.3Low74 Ų7498 Ų9876%0.76360%0.595SS**THydrogen-bonded Turntrans166.6-14.4174.600000117.9S336S336-G338 PolarHBondContact O-N 3.01Å
339R39.5Very low56.2Low213 Ų21394.7 Ų94.780%0.80457%0.574SS**  trans-128.379.2-177.7-71.9-173.7178.3-166.41.6112.2
340G33.3Very low58.4Low84 Ų8488.6 Ų88.687%0.86654%0.542SS*.  trans-91.726.417300000114.6
341R53.2Low60.7Low168 Ų16883.8 Ų83.863%0.63451%0.509SS*.  trans-99.9115.6170.9-89.8-173.9-178.8176.82.8108.1E343R341-E343 PolarHBondContact O-N 3.39Å
342G53.3Low63.1Low28 Ų2880.5 Ų80.529%0.28948%0.483SS..  trans-53.8129.7167.600000109.1V344G342-V344 PolarHBondContact O-N 3.45Å
343E60.1Low65.5Low165 Ų16578.3 Ų78.377%0.77146%0.458SS*.  trans-69.7115.4178.4-75.5-175167.400108.5R341R341-E343 PolarHBondContact O-N 3.39Å
344V73.3Confident68.1Low64 Ų6474.7 Ų74.739%0.38843%0.428SS..  trans-86.4119.1173.7178.90000107.6S325 P328 G342 L346S325-V344 WeakPolarHBondContact OG-CG1 3.36Å; P328-V344 HydrophobicContact CB-CG2 4.48Å; P328-V344 HydrophobicContact CG-CG2 4.07Å; G342-V344 PolarHBondContact O-N 3.45Å; V344-L346 HydrophobicContact CG1-CD2 4.19Å; V344-L346 HydrophobicContact CG1-CG 4.14Å; V344-L346 PolarHBondContact O-N 3.22Å
345R85.6Confident70.7Confident118 Ų11870.8 Ų70.845%0.44541%0.406SS..  trans-79.9116.3171.2-177.4-178.6170.6110.41108.3S325 S326 E347 T365S325-R345 CarbonylContact C-O 3.57Å; S325-R345 WeakPolarHBondContact CA-O 3.4Å; S326-R345 PolarHBondContact N-O 2.97Å; S326-R345 VanDerWaalsContact OG-CB 3.31Å; S326-R345 WeakPolarHBondContact OG-CB 3.3Å; S326-R345 PolarHBondContact OG-N 3Å; S326-R345 VanDerWaalsContact OG-N 3.14Å; R345-E347 HydrophobicContact CG-CG 4.49Å; R345-E347 IonicContact CZ-OE1 2.72Å; R345-E347 VanDerWaalsContact CZ-OE1 3.22Å; R345-E347 IonicContact NE-OE1 3.21Å; R345-E347 PolarHBondContact NE-OE1 3.31Å; R345-E347 IonicContact NH2-OE1 3.21Å; R345-E347 PolarHBondContact NH2-OE1 2.91Å; R345-T365 HydrophobicContact CG-CG2 3.85Å; R345-T365 PolarHBondContact NH2-OG1 2.84Å
346L90.6Very high73.2Confident24 Ų2470.6 Ų70.613%0.12639%0.39CS..EExtended strand (participates in β ladder)trans-106.3137.5176-73172000110.5T324 V344 S366 A369 I370T324-L346 WeakPolarHBondContact O-CA 3.31Å; V344-L346 HydrophobicContact CG1-CD2 4.19Å; V344-L346 HydrophobicContact CG1-CG 4.14Å; V344-L346 PolarHBondContact O-N 3.22Å; L346-S366 WeakPolarHBondContact CB-O 3.39Å; L346-S366 PolarHBondContact O-N 2.98Å; L346-A369 HydrophobicContact CB-CB 4.04Å; L346-I370 HydrophobicContact CD1-CD1 3.77Å; L346-I370 HydrophobicContact CD2-CD1 4.37Å
347E94.3Very high75.9Confident49 Ų4972.5 Ų72.523%0.22939%0.392CS..EExtended strand (participates in β ladder)trans-131.8138178.6-62.5175.1159.900110.3V323 T324 R345 T363 I364 T365V323-E347 CarbonylContact C-O 3.58Å; V323-E347 VanDerWaalsContact CA-O 3.29Å; V323-E347 WeakPolarHBondContact CA-O 3.44Å; T324-E347 PolarHBondContact N-O 2.98Å; T324-E347 PolarHBondContact O-N 3.01Å; T324-E347 WeakPolarHBondContact OG1-CB 3.43Å; R345-E347 HydrophobicContact CG-CG 4.49Å; R345-E347 IonicContact CZ-OE1 2.72Å; R345-E347 VanDerWaalsContact CZ-OE1 3.22Å; R345-E347 IonicContact NE-OE1 3.21Å; R345-E347 PolarHBondContact NE-OE1 3.31Å; R345-E347 IonicContact NH2-OE1 3.21Å; R345-E347 PolarHBondContact NH2-OE1 2.91Å; E347-T363 HydrophobicContact CB-CG2 4.1Å; E347-T363 HydrophobicContact CG-CG2 4.4Å; E347-I364 CarbonylContact C-O 3.57Å; E347-I364 VanDerWaalsContact CA-O 3.26Å; E347-I364 WeakPolarHBondContact CA-O 3.44Å; E347-T365 HydrophobicContact CG-CG2 4.12Å; E347-T365 PolarHBondContact OE1-OG1 3.43Å
348L96.3Very high78.7Confident0 Ų072 Ų720%037%0.372CS..EExtended strand (participates in β ladder)trans-106.6117.9164.1170.366.7000107L297 W321 R322 V323 I364 A369 M372 L376L297-L348 HydrophobicContact CD1-CD2 4.33Å; W321-L348 HydrophobicContact CB-CD1 4.09Å; W321-L348 HydrophobicContact CG-CD1 4.25Å; R322-L348 WeakPolarHBondContact O-CA 3.25Å; V323-L348 HydrophobicContact CG2-CD1 4.12Å; L348-I364 PolarHBondContact N-O 3.21Å; L348-I364 PolarHBondContact O-N 2.72Å; L348-A369 HydrophobicContact CB-CB 3.93Å; L348-M372 HydrophobicContact CD2-CB 3.42Å; L348-M372 VanDerWaalsContact CD2-CB 3.42Å; L348-M372 HydrophobicContact CD2-CG 4.42Å; L348-M372 HydrophobicContact CD2-SD 4.25Å; L348-L376 HydrophobicContact CD1-CD1 4.3Å; L348-L376 HydrophobicContact CD2-CD1 4.04Å
349A97.2Very high81.6Confident2 Ų271.6 Ų71.62%0.01735%0.352CS..EExtended strand (participates in β ladder)trans-112.4133.9171.200000109.6W321 R322 W361 V362 T363W321-A349 CarbonylContact C-O 3.57Å; W321-A349 WeakPolarHBondContact CA-O 3.31Å; W321-A349 WeakPolarHBondContact CB-O 3.33Å; R322-A349 HydrophobicContact CG-CB 3.91Å; R322-A349 PolarHBondContact N-O 3.4Å; R322-A349 PolarHBondContact O-N 3.44Å; A349-W361 HydrophobicContact CB-CE3 3.72Å; A349-W361 HydrophobicContact CB-CZ3 3.96Å; A349-V362 CarbonylContact C-O 3.46Å; A349-V362 VanDerWaalsContact CA-O 3.28Å; A349-V362 WeakPolarHBondContact CA-O 3.47Å; A349-T363 HydrophobicContact CB-CG2 4.2Å
350F97.4Very high84.3Confident0 Ų065.2 Ų65.20%033%0.331CS..EExtended strand (participates in β ladder)trans-127.9142.617461-91.5000110.6L297 F313 M318 C320 W321 Y352 W361 V362 I364L297-F350 HydrophobicContact CD1-CD1 4.3Å; L297-F350 HydrophobicContact CD1-CE1 4.06Å; F313-F350 HydrophobicContact CB-CE2 4Å; F313-F350 HydrophobicContact CB-CZ 4.11Å; F313-F350 AromaticContact CD1-CE2 3.67Å; F313-F350 HydrophobicContact CD1-CE2 3.67Å; F313-F350 AromaticContact CD1-CZ 3.96Å; F313-F350 HydrophobicContact CD1-CZ 3.96Å; F313-F350 HydrophobicContact CD2-CZ 4.14Å; F313-F350 HydrophobicContact CE1-CE2 4.28Å; F313-F350 HydrophobicContact CE1-CZ 4.4Å; F313-F350 AromaticContact CG-CE2 3.85Å; F313-F350 HydrophobicContact CG-CE2 3.85Å; F313-F350 AromaticContact CG-CZ 3.8Å; F313-F350 HydrophobicContact CG-CZ 3.8Å; M318-F350 HydrophobicContact CE-CD2 3.85Å; M318-F350 HydrophobicContact CE-CE2 3.91Å; M318-F350 HydrophobicContact CE-CG 4.19Å; M318-F350 HydrophobicContact CE-CZ 4.3Å; M318-F350 HydrophobicContact CG-CD2 4.01Å; M318-F350 HydrophobicContact SD-CB 4.3Å; M318-F350 HydrophobicContact SD-CD2 4.16Å; M318-F350 HydrophobicContact SD-CG 4.24Å; C320-F350 WeakPolarHBondContact O-CA 3.45Å; W321-F350 HydrophobicContact CB-CB 3.74Å; F350-Y352 HydrophobicContact CD2-CD2 4.23Å; F350-Y352 HydrophobicContact CE2-CD2 4.03Å; F350-Y352 HydrophobicContact CE2-CG 4.29Å; F350-W361 WeakPolarHBondContact O-CA 3.4Å; F350-V362 HydrophobicContact CD2-CB 4.3Å; F350-V362 HydrophobicContact CE1-CB 3.96Å; F350-V362 HydrophobicContact CE1-CG1 3.92Å; F350-V362 HydrophobicContact CE2-CB 3.72Å; F350-V362 HydrophobicContact CE2-CG1 4.3Å; F350-V362 HydrophobicContact CE2-CG2 4.02Å; F350-V362 HydrophobicContact CZ-CB 3.54Å; F350-V362 HydrophobicContact CZ-CG1 3.62Å; F350-V362 HydrophobicContact CZ-CG2 4.17Å; F350-V362 PolarHBondContact N-O 3.23Å; F350-V362 PolarHBondContact O-N 3.23Å; F350-I364 HydrophobicContact CE1-CD1 3.96Å; F350-I364 HydrophobicContact CE1-CG1 4.47Å
351E97.4Very high87.4Confident17 Ų1765 Ų658%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-96.8115.3-179.8-167.3173.6-144.600109.9M318 R319 C320 L359 W361M318-E351 CarbonylContact C-O 3.58Å; M318-E351 WeakPolarHBondContact CA-O 2.94Å; R319-E351 HydrophobicContact CB-CB 4.5Å; R319-E351 IonicContact CZ-OE1 3.54Å; R319-E351 IonicContact CZ-OE2 3.6Å; R319-E351 PolarHBondContact N-O 2.82Å; R319-E351 IonicContact NE-OE1 3.33Å; R319-E351 IonicContact NE-OE2 3.87Å; R319-E351 PolarHBondContact NE-OE2 3Å; R319-E351 IonicContact NH2-OE1 2.57Å; R319-E351 PolarHBondContact NH2-OE1 2.84Å; R319-E351 IonicContact NH2-OE2 3.51Å; R319-E351 PolarHBondContact NH2-OE2 3.41Å; C320-E351 PolarHBondContact O-N 2.88Å; E351-L359 HydrophobicContact CG-CB 4.14Å; E351-L359 HydrophobicContact CG-CD2 4.35Å; E351-W361 HydrophobicContact CB-CD2 3.87Å; E351-W361 HydrophobicContact CB-CE3 4.07Å; E351-W361 HydrophobicContact CB-CG 4.46Å; E351-W361 HydrophobicContact CB-CH2 4.01Å; E351-W361 HydrophobicContact CB-CZ2 3.77Å; E351-W361 HydrophobicContact CB-CZ3 4.14Å; E351-W361 HydrophobicContact CG-CD2 4.22Å; E351-W361 HydrophobicContact CG-CG 4.41Å; E351-W361 HydrophobicContact CG-CZ2 4.22Å; E351-W361 PolarHBondContact OE1-NE1 3.2Å
352Y97.1Very high89.5Confident18 Ų1857 Ų577%0.07127%0.274CS..EExtended strand (participates in β ladder)trans-114.6134.4-166.5-164.4-99.6000112.2F313 R314 R317 M318 F350 M354 L359 Q360F313-Y352 WeakPolarHBondContact CA-OH 3.34Å; F313-Y352 HydrophobicContact CB-CD2 4.09Å; F313-Y352 HydrophobicContact CB-CE2 3.65Å; F313-Y352 AromaticContact CD1-CD1 3.83Å; F313-Y352 HydrophobicContact CD1-CD1 3.83Å; F313-Y352 AromaticContact CD1-CD2 3.82Å; F313-Y352 HydrophobicContact CD1-CD2 3.82Å; F313-Y352 AromaticContact CD1-CE1 3.87Å; F313-Y352 HydrophobicContact CD1-CE1 3.87Å; F313-Y352 AromaticContact CD1-CE2 3.86Å; F313-Y352 HydrophobicContact CD1-CE2 3.86Å; F313-Y352 AromaticContact CD1-CG 3.79Å; F313-Y352 HydrophobicContact CD1-CG 3.79Å; F313-Y352 AromaticContact CD1-CZ 3.88Å; F313-Y352 HydrophobicContact CE1-CD1 4.3Å; F313-Y352 HydrophobicContact CE1-CG 4.46Å; F313-Y352 HydrophobicContact CG-CD2 4.46Å; F313-Y352 HydrophobicContact CG-CE2 4.26Å; R314-Y352 PolarHBondContact N-OH 2.72Å; R314-Y352 WeakPolarHBondContact O-CE2 3.47Å; R317-Y352 HydrophobicContact CB-CD2 4.2Å; R317-Y352 HydrophobicContact CB-CE1 4.41Å; R317-Y352 HydrophobicContact CB-CE2 3.63Å; R317-Y352 WeakPolarHBondContact CD-OH 3.44Å; M318-Y352 HydrophobicContact CG-CD2 3.85Å; M318-Y352 HydrophobicContact CG-CE2 4.3Å; F350-Y352 HydrophobicContact CD2-CD2 4.23Å; F350-Y352 HydrophobicContact CE2-CD2 4.03Å; F350-Y352 HydrophobicContact CE2-CG 4.29Å; Y352-M354 HydrophobicContact CD1-CG 4.38Å; Y352-M354 HydrophobicContact CD1-SD 3.67Å; Y352-M354 HydrophobicContact CE1-SD 4.37Å; Y352-M354 PolarHBondContact O-N 3.02Å; Y352-M354 VanDerWaalsContact O-N 3.09Å; Y352-L359 CarbonylContact O-C 3.58Å; Y352-L359 WeakPolarHBondContact O-CA 3.4Å; Y352-Q360 PolarHBondContact N-O 2.79Å; Y352-Q360 PolarHBondContact O-N 3.43Å
353L95.6Very high91.6Very high11 Ų1157 Ų576%0.05827%0.268CS..EExtended strand (participates in β ladder)trans-75.594.7171.8-173.967.3000109.8R317 S355 L359 I465 L470R317-L353 HydrophobicContact CB-CB 4.39Å; R317-L353 PolarHBondContact NE-O 2.78Å; R317-L353 PolarHBondContact NH2-O 3.05Å; R317-L353 PolarHBondContact O-N 3.47Å; L353-S355 WeakPolarHBondContact CD1-O 3.38Å; L353-L359 HydrophobicContact CB-CD2 4.01Å; L353-L359 HydrophobicContact CD1-CD2 4.11Å; L353-L359 HydrophobicContact CD1-CG 4.31Å; L353-I465 HydrophobicContact CB-CG2 4.47Å; L353-I465 HydrophobicContact CD2-CG2 3.73Å; L353-L470 HydrophobicContact CD2-CD2 3.79Å; L353-L470 HydrophobicContact CD2-CG 4.31Å; L353-L470 HydrophobicContact CG-CD2 4.07Å
354M92.8Very high93.4Very high47 Ų4749.1 Ų49.123%0.23223%0.231CC..EExtended strand (participates in β ladder)trans-72.1-36.4-177.3-67.5-65.4-73.900112.4F281 Y352 R358 Q360F281-M354 HydrophobicContact CE2-CE 3.99Å; Y352-M354 HydrophobicContact CD1-CG 4.38Å; Y352-M354 HydrophobicContact CD1-SD 3.67Å; Y352-M354 HydrophobicContact CE1-SD 4.37Å; Y352-M354 PolarHBondContact O-N 3.02Å; Y352-M354 VanDerWaalsContact O-N 3.09Å; M354-R358 PolarHBondContact N-O 2.98Å; M354-Q360 HydrophobicContact CG-CB 3.62Å
355S91.9Very high94.5Very high41 Ų4147.3 Ų47.329%0.28722%0.22SC..EExtended strand (participates in β ladder)trans-160.6175.717558.40000108.1L353 D357 R358L353-S355 WeakPolarHBondContact CD1-O 3.38Å; S355-D357 PolarHBondContact O-N 2.79Å; S355-R358 PolarHBondContact O-N 3.11Å; S355-R358 WeakPolarHBondContact OG-CB 3.18Å; S355-R358 PolarHBondContact OG-NE 3.43Å; S355-R358 PolarHBondContact OG-NH2 3.3Å
356K87.3Confident95Very high120 Ų12041.8 Ų41.852%0.52220%0.2SC..THydrogen-bonded Turntrans-41125.7171.9177.8147.2175.9154.90111.7R358 D467 L470K356-R358 PolarHBondContact O-N 2.87Å; K356-D467 WeakPolarHBondContact CD-OD2 3.42Å; K356-D467 WeakPolarHBondContact CE-OD2 3.19Å; K356-D467 WeakPolarHBondContact CG-OD1 3.47Å; K356-D467 IonicContact NZ-OD2 3.35Å; K356-D467 PolarHBondContact NZ-OD2 2.86Å; K356-L470 VanDerWaalsContact CA-CD1 3.5Å; K356-L470 HydrophobicContact CB-CD1 3.49Å; K356-L470 VanDerWaalsContact CB-CD1 3.49Å; K356-L470 HydrophobicContact CG-CD1 4.34Å
357D87.9Confident95.1Very high135 Ų13546 Ų4672%0.72223%0.228SC*.THydrogen-bonded Turntrans54.116.9179.4-56.5-51.1000116S355S355-D357 PolarHBondContact O-N 2.79Å
358R94.4Very high95.2Very high135 Ų13544.2 Ų44.251%0.50922%0.22SC..EExtended strand (participates in β ladder)trans-121.991.1-177.3-167.3-179.964.9179-1.2111.4M354 S355 K356M354-R358 PolarHBondContact N-O 2.98Å; S355-R358 PolarHBondContact O-N 3.11Å; S355-R358 WeakPolarHBondContact OG-CB 3.18Å; S355-R358 PolarHBondContact OG-NE 3.43Å; S355-R358 PolarHBondContact OG-NH2 3.3Å; K356-R358 PolarHBondContact O-N 2.87Å
359L95.4Very high95.1Very high64 Ų6444.2 Ų44.234%0.33522%0.22SC..EExtended strand (participates in β ladder)trans-84.9138.1169.9-70.1166.2000110.7R319 E351 Y352 L353R319-L359 HydrophobicContact CB-CD2 4.37Å; R319-L359 VanDerWaalsContact CZ-CD1 3.48Å; E351-L359 HydrophobicContact CG-CB 4.14Å; E351-L359 HydrophobicContact CG-CD2 4.35Å; Y352-L359 CarbonylContact O-C 3.58Å; Y352-L359 WeakPolarHBondContact O-CA 3.4Å; L353-L359 HydrophobicContact CB-CD2 4.01Å; L353-L359 HydrophobicContact CD1-CD2 4.11Å; L353-L359 HydrophobicContact CD1-CG 4.31Å
360Q96.2Very high94.8Very high79 Ų7944.7 Ų44.737%0.36922%0.222SC..EExtended strand (participates in β ladder)trans-139.1136.4176.9-177.5177.8-21.900110Y352 M354Y352-Q360 PolarHBondContact N-O 2.79Å; Y352-Q360 PolarHBondContact O-N 3.43Å; M354-Q360 HydrophobicContact CG-CB 3.62Å
361W97.4Very high94.7Very high81 Ų8144.7 Ų44.731%0.30722%0.223SC..EExtended strand (participates in β ladder)trans-76.5133.3170-74.286.9000110.6R322 A349 F350 E351R322-W361 HydrophobicContact CG-CH2 4.32Å; R322-W361 HydrophobicContact CG-CZ3 3.94Å; A349-W361 HydrophobicContact CB-CE3 3.72Å; A349-W361 HydrophobicContact CB-CZ3 3.96Å; F350-W361 WeakPolarHBondContact O-CA 3.4Å; E351-W361 HydrophobicContact CB-CD2 3.87Å; E351-W361 HydrophobicContact CB-CE3 4.07Å; E351-W361 HydrophobicContact CB-CG 4.46Å; E351-W361 HydrophobicContact CB-CH2 4.01Å; E351-W361 HydrophobicContact CB-CZ2 3.77Å; E351-W361 HydrophobicContact CB-CZ3 4.14Å; E351-W361 HydrophobicContact CG-CD2 4.22Å; E351-W361 HydrophobicContact CG-CG 4.41Å; E351-W361 HydrophobicContact CG-CZ2 4.22Å; E351-W361 PolarHBondContact OE1-NE1 3.2Å
362V97.8Very high94.7Very high0 Ų043.9 Ų43.90%022%0.219CC..EExtended strand (participates in β ladder)trans-117.1127.8168.3179.50000107.7D280 F281 F313 A349 F350D280-V362 WeakPolarHBondContact OD1-CA 3.45Å; F281-V362 HydrophobicContact CB-CG1 3.86Å; F313-V362 HydrophobicContact CE1-CG2 3.94Å; F313-V362 HydrophobicContact CZ-CG2 4.32Å; A349-V362 CarbonylContact C-O 3.46Å; A349-V362 VanDerWaalsContact CA-O 3.28Å; A349-V362 WeakPolarHBondContact CA-O 3.47Å; F350-V362 HydrophobicContact CD2-CB 4.3Å; F350-V362 HydrophobicContact CE1-CB 3.96Å; F350-V362 HydrophobicContact CE1-CG1 3.92Å; F350-V362 HydrophobicContact CE2-CB 3.72Å; F350-V362 HydrophobicContact CE2-CG1 4.3Å; F350-V362 HydrophobicContact CE2-CG2 4.02Å; F350-V362 HydrophobicContact CZ-CB 3.54Å; F350-V362 HydrophobicContact CZ-CG1 3.62Å; F350-V362 HydrophobicContact CZ-CG2 4.17Å; F350-V362 PolarHBondContact N-O 3.23Å; F350-V362 PolarHBondContact O-N 3.23Å
363T97.8Very high94.6Very high27 Ų2743.6 Ų43.617%0.16622%0.219CC..EExtended strand (participates in β ladder)trans-116.4125-175-45.10000110.2A279 D280 E347 A349A279-T363 CarbonylContact C-O 3.43Å; A279-T363 WeakPolarHBondContact CA-O 3.24Å; D280-T363 VanDerWaalsContact CG-N 3.29Å; D280-T363 PolarHBondContact N-O 3.06Å; D280-T363 PolarHBondContact OD1-N 2.68Å; D280-T363 WeakPolarHBondContact OD2-CB 3.45Å; D280-T363 PolarHBondContact OD2-N 3Å; D280-T363 PolarHBondContact OD2-OG1 2.9Å; E347-T363 HydrophobicContact CB-CG2 4.1Å; E347-T363 HydrophobicContact CG-CG2 4.4Å; A349-T363 HydrophobicContact CB-CG2 4.2Å
364I98Very high94.5Very high0 Ų044 Ų440%022%0.221CC..EExtended strand (participates in β ladder)trans-108.9118.9174-58168.1000107.7V278 A279 V290 L297 L299 E347 L348 F350 M372V278-I364 CarbonylContact O-C 3.58Å; A279-I364 HydrophobicContact CB-CG1 4.25Å; V290-I364 HydrophobicContact CG1-CD1 4.34Å; V290-I364 HydrophobicContact CG2-CD1 4.01Å; V290-I364 HydrophobicContact CG2-CG2 4.04Å; L297-I364 HydrophobicContact CD1-CD1 4.45Å; L299-I364 HydrophobicContact CD1-CD1 4.17Å; L299-I364 HydrophobicContact CD2-CD1 4.49Å; L299-I364 HydrophobicContact CD2-CG1 4.49Å; E347-I364 CarbonylContact C-O 3.57Å; E347-I364 VanDerWaalsContact CA-O 3.26Å; E347-I364 WeakPolarHBondContact CA-O 3.44Å; L348-I364 PolarHBondContact N-O 3.21Å; L348-I364 PolarHBondContact O-N 2.72Å; F350-I364 HydrophobicContact CE1-CD1 3.96Å; F350-I364 HydrophobicContact CE1-CG1 4.47Å; I364-M372 HydrophobicContact CD1-SD 4.35Å; I364-M372 HydrophobicContact CG2-CE 4.15Å; I364-M372 HydrophobicContact CG2-SD 3.94Å
365T96.8Very high94.6Very high25 Ų2541.8 Ų41.815%0.15321%0.211CC..EExtended strand (participates in β ladder)trans-91.8109.2171.6-52.90000108.8C277 V278 R345 E347C277-T365 WeakPolarHBondContact CB-O 3.4Å; V278-T365 HydrophobicContact CG2-CG2 4.45Å; V278-T365 PolarHBondContact N-O 2.89Å; V278-T365 PolarHBondContact O-N 3.29Å; R345-T365 HydrophobicContact CG-CG2 3.85Å; R345-T365 PolarHBondContact NH2-OG1 2.84Å; E347-T365 HydrophobicContact CG-CG2 4.12Å; E347-T365 PolarHBondContact OE1-OG1 3.43Å
366S95.8Very high94.9Very high2 Ų239.9 Ų39.91%0.01420%0.197CC..  trans-152.1138.8-176.5179.20000111.2L346 Q368 A369L346-S366 WeakPolarHBondContact CB-O 3.39Å; L346-S366 PolarHBondContact O-N 2.98Å; S366-Q368 PolarHBondContact O-N 3.29Å; S366-Q368 PolarHBondContact OG-N 3.27Å; S366-Q368 VanDerWaalsContact OG-N 3.09Å; S366-A369 WeakPolarHBondContact O-CB 3.49Å; S366-A369 PolarHBondContact O-N 2.85Å
367P92.8Very high95.1Very high112 Ų11236.7 Ų36.773%0.72718%0.184SC*.THydrogen-bonded Turntrans-56.7-20168.2-22.733.7000113.3
368Q95Very high95.4Very high12 Ų1231.5 Ų31.56%0.05616%0.159CC..THydrogen-bonded Turntrans-99.115.7179.2-61.5-179.4-81.500113.5F175 F274 S366 I370 M371 M372F175-Q368 PolarHBondContact O-NE2 3.22Å; F274-Q368 HydrophobicContact CD1-CB 3.85Å; F274-Q368 HydrophobicContact CE1-CB 4.47Å; S366-Q368 PolarHBondContact O-N 3.29Å; S366-Q368 PolarHBondContact OG-N 3.27Å; S366-Q368 VanDerWaalsContact OG-N 3.09Å; Q368-I370 PolarHBondContact O-N 3.17Å; Q368-I370 VanDerWaalsContact O-N 3.15Å; Q368-M371 HydrophobicContact CB-CB 4.45Å; Q368-M371 PolarHBondContact O-N 3.38Å; Q368-M372 WeakPolarHBondContact O-CG 3.37Å; Q368-M372 PolarHBondContact O-N 2.82Å
369A94.1Very high95.4Very high0 Ų025.1 Ų25.10%014%0.135CC..Hα-helixtrans-52.2-37.8178.600000113.1V323 L346 L348 S366 M372 S373V323-A369 HydrophobicContact CG1-CB 4.36Å; L346-A369 HydrophobicContact CB-CB 4.04Å; L348-A369 HydrophobicContact CB-CB 3.93Å; S366-A369 WeakPolarHBondContact O-CB 3.49Å; S366-A369 PolarHBondContact O-N 2.85Å; A369-M372 PolarHBondContact O-N 3.43Å; A369-S373 PolarHBondContact O-N 3.49Å
370I91.4Very high95.3Very high12 Ų1222.5 Ų22.56%0.06212%0.121CC..Hα-helixtrans-61.1-49174.8-70152.7000111.4N28 V323 L346 Q368 M372 S373 I374N28-I370 HydrophobicContact CB-CG2 3.49Å; N28-I370 VanDerWaalsContact CB-CG2 3.49Å; N28-I370 WeakPolarHBondContact O-CD1 3.31Å; N28-I370 WeakPolarHBondContact O-CG1 3.42Å; N28-I370 WeakPolarHBondContact O-CG2 3.35Å; V323-I370 HydrophobicContact CG1-CG1 4.09Å; L346-I370 HydrophobicContact CD1-CD1 3.77Å; L346-I370 HydrophobicContact CD2-CD1 4.37Å; Q368-I370 PolarHBondContact O-N 3.17Å; Q368-I370 VanDerWaalsContact O-N 3.15Å; I370-M372 VanDerWaalsContact C-N 3.31Å; I370-M372 PolarHBondContact O-N 3.38Å; I370-S373 WeakPolarHBondContact O-CB 3.3Å; I370-S373 PolarHBondContact O-N 3Å; I370-I374 HydrophobicContact CG2-CD1 3.98Å; I370-I374 WeakPolarHBondContact O-CG1 3.25Å; I370-I374 PolarHBondContact O-N 3.28Å
371M95.4Very high95Very high1 Ų122 Ų221%0.00512%0.121CC..Hα-helixtrans-64.6-38.9179.3-173.658.8-167.700111.1F163 F175 V176 R177 L272 F274 Q368 S373 I374 C375F163-M371 HydrophobicContact CD1-CE 3.83Å; F163-M371 HydrophobicContact CE1-CE 3.75Å; F175-M371 HydrophobicContact CB-CE 4.27Å; F175-M371 HydrophobicContact CB-CG 4.1Å; F175-M371 HydrophobicContact CD1-CE 4.32Å; V176-M371 WeakPolarHBondContact O-CB 3.13Å; R177-M371 WeakPolarHBondContact CA-SD 3.39Å; L272-M371 HydrophobicContact CD1-CE 3.51Å; L272-M371 HydrophobicContact CD2-CE 4.35Å; F274-M371 HydrophobicContact CE1-CB 3.87Å; F274-M371 HydrophobicContact CE1-CG 3.63Å; F274-M371 HydrophobicContact CZ-CG 4.37Å; Q368-M371 HydrophobicContact CB-CB 4.45Å; Q368-M371 PolarHBondContact O-N 3.38Å; M371-S373 PolarHBondContact O-N 3.25Å; M371-I374 WeakPolarHBondContact O-CB 3.43Å; M371-I374 PolarHBondContact O-N 3.04Å; M371-I374 VanDerWaalsContact O-N 3.17Å; M371-I374 HydrophobicContact SD-CB 4.48Å; M371-C375 PolarHBondContact O-N 3.05Å; M371-C375 PolarHBondContact O-SG 3.2Å
372M97.3Very high94.8Very high0 Ų018.7 Ų18.70%011%0.109CC..Hα-helixtrans-59.8-44.7173-64173.6-174.700111.5F274 V290 L348 I364 Q368 A369 I370 I374 C375 L376F274-M372 HydrophobicContact CB-CE 3.68Å; F274-M372 HydrophobicContact CD1-CE 4.04Å; F274-M372 HydrophobicContact CD1-CG 3.88Å; F274-M372 HydrophobicContact CD2-CE 3.93Å; F274-M372 HydrophobicContact CD2-CG 3.9Å; F274-M372 HydrophobicContact CE1-CB 4.44Å; F274-M372 HydrophobicContact CE1-CG 3.61Å; F274-M372 HydrophobicContact CE2-CB 4.49Å; F274-M372 HydrophobicContact CE2-CG 3.66Å; F274-M372 HydrophobicContact CG-CE 3.6Å; F274-M372 HydrophobicContact CG-CG 4.01Å; F274-M372 HydrophobicContact CZ-CB 4.12Å; F274-M372 HydrophobicContact CZ-CG 3.5Å; F274-M372 VanDerWaalsContact CZ-CG 3.5Å; V290-M372 HydrophobicContact CB-CE 3.82Å; V290-M372 HydrophobicContact CG1-CE 4.11Å; V290-M372 HydrophobicContact CG1-SD 4.24Å; V290-M372 HydrophobicContact CG2-CE 3.96Å; L348-M372 HydrophobicContact CD2-CB 3.42Å; L348-M372 VanDerWaalsContact CD2-CB 3.42Å; L348-M372 HydrophobicContact CD2-CG 4.42Å; L348-M372 HydrophobicContact CD2-SD 4.25Å; I364-M372 HydrophobicContact CD1-SD 4.35Å; I364-M372 HydrophobicContact CG2-CE 4.15Å; I364-M372 HydrophobicContact CG2-SD 3.94Å; Q368-M372 WeakPolarHBondContact O-CG 3.37Å; Q368-M372 PolarHBondContact O-N 2.82Å; A369-M372 PolarHBondContact O-N 3.43Å; I370-M372 VanDerWaalsContact C-N 3.31Å; I370-M372 PolarHBondContact O-N 3.38Å; M372-I374 VanDerWaalsContact C-N 3.31Å; M372-I374 PolarHBondContact O-N 2.85Å; M372-C375 WeakPolarHBondContact O-CB 3.44Å; M372-C375 PolarHBondContact O-N 2.7Å; M372-L376 PolarHBondContact O-N 3.46Å
373S94.5Very high94.5Very high12 Ų1220.7 Ų20.78%0.08412%0.119CC..Hα-helixtrans-62.5-35.7174.2177.90000112.9W321 V323 A369 I370 M371 C375 L376 Q377W321-S373 PolarHBondContact NE1-OG 3.09Å; V323-S373 VanDerWaalsContact CG2-CB 3.5Å; A369-S373 PolarHBondContact O-N 3.49Å; I370-S373 WeakPolarHBondContact O-CB 3.3Å; I370-S373 PolarHBondContact O-N 3Å; M371-S373 PolarHBondContact O-N 3.25Å; S373-C375 VanDerWaalsContact C-N 3.35Å; S373-L376 PolarHBondContact O-N 3.42Å; S373-Q377 PolarHBondContact O-N 2.86Å
374I93.4Very high94Very high18 Ų1823.7 Ų23.79%0.09213%0.133CC..Hα-helixtrans-66.2-40.2175.1-69.6166.9000110.1R177 K178 I370 M371 M372 S378R177-I374 HydrophobicContact CB-CD1 3.75Å; K178-I374 HydrophobicContact CB-CG2 4.07Å; I370-I374 HydrophobicContact CG2-CD1 3.98Å; I370-I374 WeakPolarHBondContact O-CG1 3.25Å; I370-I374 PolarHBondContact O-N 3.28Å; M371-I374 WeakPolarHBondContact O-CB 3.43Å; M371-I374 PolarHBondContact O-N 3.04Å; M371-I374 VanDerWaalsContact O-N 3.17Å; M371-I374 HydrophobicContact SD-CB 4.48Å; M372-I374 VanDerWaalsContact C-N 3.31Å; M372-I374 PolarHBondContact O-N 2.85Å; I374-S378 VanDerWaalsContact O-CB 3.29Å; I374-S378 WeakPolarHBondContact O-CB 3.25Å; I374-S378 PolarHBondContact O-N 2.76Å
375C96.9Very high93.5Very high2 Ų225 Ų251%0.01414%0.14CC..Hα-helixtrans-63.5-45175.1-64.50000112.1W206 A292 M371 M372 S373 S378 M379W206-C375 HydrophobicContact CH2-CB 3.69Å; W206-C375 HydrophobicContact CZ2-CB 3.87Å; A292-C375 HydrophobicContact CB-CB 3.69Å; M371-C375 PolarHBondContact O-N 3.05Å; M371-C375 PolarHBondContact O-SG 3.2Å; M372-C375 WeakPolarHBondContact O-CB 3.44Å; M372-C375 PolarHBondContact O-N 2.7Å; S373-C375 VanDerWaalsContact C-N 3.35Å; C375-S378 PolarHBondContact O-N 3.25Å; C375-M379 WeakPolarHBondContact O-CG 3.43Å; C375-M379 PolarHBondContact O-N 2.78Å
376L96.4Very high92.9Very high0 Ų027.1 Ų27.10%015%0.148CC..Hα-helixtrans-57-51.7175.6-74179.4000111.6L297 V315 M318 W321 L348 M372 S373 S378 M379 V380L297-L376 HydrophobicContact CD1-CD1 4.21Å; L297-L376 HydrophobicContact CD1-CD2 3.9Å; L297-L376 HydrophobicContact CD1-CG 4.24Å; L297-L376 HydrophobicContact CD2-CD2 4.2Å; L297-L376 HydrophobicContact CG-CD2 3.79Å; V315-L376 HydrophobicContact CG2-CD2 3.97Å; M318-L376 HydrophobicContact CE-CD2 4.05Å; M318-L376 HydrophobicContact SD-CD1 4.23Å; M318-L376 HydrophobicContact SD-CD2 3.58Å; M318-L376 VanDerWaalsContact SD-CD2 3.58Å; W321-L376 HydrophobicContact CB-CD1 4.21Å; W321-L376 HydrophobicContact CD2-CB 4.21Å; W321-L376 HydrophobicContact CD2-CD1 3.8Å; W321-L376 HydrophobicContact CE3-CB 4.37Å; W321-L376 HydrophobicContact CE3-CD1 4.13Å; W321-L376 HydrophobicContact CG-CD1 3.81Å; W321-L376 HydrophobicContact CH2-CB 4.14Å; W321-L376 HydrophobicContact CZ2-CB 3.96Å; W321-L376 HydrophobicContact CZ3-CB 4.31Å; L348-L376 HydrophobicContact CD1-CD1 4.3Å; L348-L376 HydrophobicContact CD2-CD1 4.04Å; M372-L376 PolarHBondContact O-N 3.46Å; S373-L376 PolarHBondContact O-N 3.42Å; L376-S378 VanDerWaalsContact C-N 3.31Å; L376-S378 PolarHBondContact O-N 2.97Å; L376-M379 HydrophobicContact CD2-CE 4.01Å; L376-M379 PolarHBondContact O-N 3.11Å; L376-V380 WeakPolarHBondContact O-CG2 3.09Å; L376-V380 PolarHBondContact O-N 3.19Å
377Q92.4Very high92.4Very high53 Ų5335.2 Ų35.225%0.24818%0.183CC..Hα-helixtrans-57.2-46.6177.3-173.666.862.100111.3W321 S373 M379 V380 D381W321-Q377 HydrophobicContact CZ2-CB 4.16Å; S373-Q377 PolarHBondContact O-N 2.86Å; Q377-M379 VanDerWaalsContact C-N 3.34Å; Q377-M379 PolarHBondContact O-N 2.99Å; Q377-V380 PolarHBondContact O-N 3.31Å; Q377-D381 PolarHBondContact NE2-OD1 3.14Å; Q377-D381 PolarHBondContact O-N 3.18Å
378S93.6Very high91.9Very high27 Ų2734.3 Ų34.319%0.18918%0.179CC..Hα-helixtrans-61.9-39.6-179.2-173.90000112.4W206 I374 C375 L376 E382W206-S378 VanDerWaalsContact NE1-CB 3.35Å; W206-S378 PolarHBondContact NE1-OG 2.69Å; I374-S378 VanDerWaalsContact O-CB 3.29Å; I374-S378 WeakPolarHBondContact O-CB 3.25Å; I374-S378 PolarHBondContact O-N 2.76Å; C375-S378 PolarHBondContact O-N 3.25Å; L376-S378 VanDerWaalsContact C-N 3.31Å; L376-S378 PolarHBondContact O-N 2.97Å; S378-E382 PolarHBondContact O-N 2.92Å; S378-E382 VanDerWaalsContact O-N 3.11Å
379M95.6Very high91Very high1 Ų137.1 Ų37.11%0.00521%0.211CC..Hα-helixtrans-66.7-40.8174.8-72.1-173.6-70.400111.9W206 A292 S295 V315 C375 L376 Q377 E382 L383W206-M379 HydrophobicContact CB-CG 4.43Å; W206-M379 HydrophobicContact CD2-CG 3.5Å; W206-M379 VanDerWaalsContact CD2-CG 3.5Å; W206-M379 HydrophobicContact CD2-SD 4.26Å; W206-M379 HydrophobicContact CE3-CG 4.14Å; W206-M379 HydrophobicContact CE3-SD 4.33Å; W206-M379 HydrophobicContact CG-CG 3.61Å; W206-M379 HydrophobicContact CZ2-CG 4.15Å; A292-M379 HydrophobicContact CB-CE 4.15Å; S295-M379 VanDerWaalsContact CA-SD 3.6Å; V315-M379 HydrophobicContact CG2-CB 4.19Å; V315-M379 HydrophobicContact CG2-CE 3.67Å; V315-M379 HydrophobicContact CG2-SD 4.16Å; C375-M379 WeakPolarHBondContact O-CG 3.43Å; C375-M379 PolarHBondContact O-N 2.78Å; L376-M379 HydrophobicContact CD2-CE 4.01Å; L376-M379 PolarHBondContact O-N 3.11Å; Q377-M379 VanDerWaalsContact C-N 3.34Å; Q377-M379 PolarHBondContact O-N 2.99Å; M379-E382 PolarHBondContact O-N 3.09Å; M379-L383 VanDerWaalsContact O-CG 3.31Å; M379-L383 WeakPolarHBondContact O-CG 3.35Å; M379-L383 PolarHBondContact O-N 2.86Å
380V93.2Very high89.9Confident8 Ų838.8 Ų38.85%0.04823%0.228CC..Hα-helixtrans-61.7-48.3174.41720000110.9V315 W321 L376 Q377 E382 L383 M384 A461V315-V380 HydrophobicContact CG1-CG2 3.37Å; W321-V380 HydrophobicContact CH2-CG2 3.86Å; W321-V380 HydrophobicContact CZ3-CG2 4.05Å; L376-V380 WeakPolarHBondContact O-CG2 3.09Å; L376-V380 PolarHBondContact O-N 3.19Å; Q377-V380 PolarHBondContact O-N 3.31Å; V380-E382 VanDerWaalsContact C-N 3.29Å; V380-E382 PolarHBondContact O-N 2.6Å; V380-L383 PolarHBondContact O-N 3.21Å; V380-L383 VanDerWaalsContact O-N 3.15Å; V380-M384 HydrophobicContact CG1-CG 4.14Å; V380-M384 VanDerWaalsContact O-CG 3.3Å; V380-M384 WeakPolarHBondContact O-CG 3.47Å; V380-M384 PolarHBondContact O-N 3.4Å; V380-A461 HydrophobicContact CG2-CB 4.34Å
381D90Very high88.9Confident68 Ų6840.7 Ų40.736%0.36424%0.243SC..Hα-helixtrans-58.3-42.2-179.7-64.6-13.4000111.4Q377 M384 V385 M395Q377-D381 PolarHBondContact NE2-OD1 3.14Å; Q377-D381 PolarHBondContact O-N 3.18Å; D381-M384 PolarHBondContact O-N 2.76Å; D381-V385 PolarHBondContact O-N 3.28Å; D381-V385 VanDerWaalsContact O-N 3.11Å; D381-M395 WeakPolarHBondContact O-CE 3.28Å
382E91.9Very high87.6Confident13 Ų1341 Ų416%0.06124%0.244CC..Hα-helixtrans-64.8-43.8176.4-169.5-178.6128.300112.2W206 D207 Y210 S378 M379 V380 M384 V385 K386 I392W206-E382 WeakPolarHBondContact CB-OE2 3.45Å; W206-E382 PolarHBondContact N-OE2 2.96Å; D207-E382 WeakPolarHBondContact CB-OE1 3.48Å; D207-E382 PolarHBondContact N-OE1 3.34Å; D207-E382 VanDerWaalsContact N-OE1 3.09Å; Y210-E382 HydrophobicContact CE2-CG 4.25Å; Y210-E382 WeakPolarHBondContact CE2-OE1 3.17Å; S378-E382 PolarHBondContact O-N 2.92Å; S378-E382 VanDerWaalsContact O-N 3.11Å; M379-E382 PolarHBondContact O-N 3.09Å; V380-E382 VanDerWaalsContact C-N 3.29Å; V380-E382 PolarHBondContact O-N 2.6Å; E382-M384 VanDerWaalsContact C-N 3.35Å; E382-M384 PolarHBondContact O-N 2.91Å; E382-V385 PolarHBondContact O-N 2.95Å; E382-K386 PolarHBondContact O-N 3.45Å; E382-K386 VanDerWaalsContact O-N 3.09Å; E382-K386 IonicContact OE1-NZ 3.67Å; E382-K386 PolarHBondContact OE1-NZ 3.11Å; E382-I392 HydrophobicContact CG-CD1 3.87Å
383L91.2Very high86Confident41 Ų4145.9 Ų45.922%0.21526%0.263CS..Hα-helixtrans-62.3-41.6176.5-73.9172000111.9V315 T316 M379 V380 V385 K386 K387 F462V315-L383 HydrophobicContact CG1-CD1 4.35Å; T316-L383 HydrophobicContact CG2-CD1 4.2Å; M379-L383 VanDerWaalsContact O-CG 3.31Å; M379-L383 WeakPolarHBondContact O-CG 3.35Å; M379-L383 PolarHBondContact O-N 2.86Å; V380-L383 PolarHBondContact O-N 3.21Å; V380-L383 VanDerWaalsContact O-N 3.15Å; L383-V385 VanDerWaalsContact C-N 3.35Å; L383-V385 PolarHBondContact O-N 3.31Å; L383-K386 PolarHBondContact O-N 3.17Å; L383-K387 WeakPolarHBondContact O-CB 3.14Å; L383-K387 PolarHBondContact O-N 3.34Å; L383-F462 HydrophobicContact CD1-CZ 4.44Å
384M88.3Confident84.5Confident91 Ų9152.9 Ų52.945%0.44829%0.292SS..Hα-helixtrans-66.3-36.5179.3-69.4-58.4-71.700112.3V380 D381 E382 S388 F462V380-M384 HydrophobicContact CG1-CG 4.14Å; V380-M384 VanDerWaalsContact O-CG 3.3Å; V380-M384 WeakPolarHBondContact O-CG 3.47Å; V380-M384 PolarHBondContact O-N 3.4Å; D381-M384 PolarHBondContact O-N 2.76Å; E382-M384 VanDerWaalsContact C-N 3.35Å; E382-M384 PolarHBondContact O-N 2.91Å; M384-S388 WeakPolarHBondContact O-CB 3.46Å; M384-S388 PolarHBondContact O-N 2.95Å; M384-S388 VanDerWaalsContact O-N 3.1Å; M384-S388 PolarHBondContact O-OG 3.36Å; M384-F462 HydrophobicContact SD-CE1 4.24Å
385V86.5Confident83.2Confident27 Ų2754.3 Ų54.316%0.16430%0.298CS..Hα-helixtrans-68.4-39.3173.6164.20000112.2D381 E382 L383 S388 G390 I392 M395D381-V385 PolarHBondContact O-N 3.28Å; D381-V385 VanDerWaalsContact O-N 3.11Å; E382-V385 PolarHBondContact O-N 2.95Å; L383-V385 VanDerWaalsContact C-N 3.35Å; L383-V385 PolarHBondContact O-N 3.31Å; V385-S388 WeakPolarHBondContact CA-OG 3.29Å; V385-S388 PolarHBondContact O-OG 3.01Å; V385-G390 WeakPolarHBondContact O-CA 3.34Å; V385-G390 PolarHBondContact O-N 2.98Å; V385-I392 HydrophobicContact CB-CD1 4.5Å; V385-I392 HydrophobicContact CG1-CD1 4.13Å; V385-M395 HydrophobicContact CB-CE 3.55Å; V385-M395 HydrophobicContact CG1-CE 4.14Å; V385-M395 HydrophobicContact CG2-CE 3.1Å; V385-M395 HydrophobicContact CG2-CG 4.33Å
386K85.1Confident81.7Confident70 Ų7054.7 Ų54.730%0.30430%0.3SS..Hα-helixtrans-64.4-45173.7-71.5-179.7-171.2163.70112.3D207 Y210 E382 L383 S388 G389D207-K386 VanDerWaalsContact CG-NZ 3.27Å; D207-K386 WeakPolarHBondContact OD2-CE 3.5Å; D207-K386 IonicContact OD2-NZ 3.57Å; D207-K386 PolarHBondContact OD2-NZ 2.63Å; Y210-K386 WeakPolarHBondContact OH-CE 3.5Å; E382-K386 PolarHBondContact O-N 3.45Å; E382-K386 VanDerWaalsContact O-N 3.09Å; E382-K386 IonicContact OE1-NZ 3.67Å; E382-K386 PolarHBondContact OE1-NZ 3.11Å; L383-K386 PolarHBondContact O-N 3.17Å; K386-S388 VanDerWaalsContact C-N 3.28Å; K386-S388 PolarHBondContact O-N 2.66Å; K386-G389 PolarHBondContact O-N 3.23Å
387K85.4Confident79.8Confident172 Ų17260.9 Ų60.975%0.74832%0.324SS*.Hα-helixtrans-62-35.1-179.1-173.2176.9178.81780112.5L383 G389L383-K387 WeakPolarHBondContact O-CB 3.14Å; L383-K387 PolarHBondContact O-N 3.34Å; K387-G389 PolarHBondContact O-N 3.33Å
388S83.2Confident77.9Confident92 Ų9268.5 Ų68.564%0.64335%0.35SS*.THydrogen-bonded Turntrans-78.63.817752.60000114M384 V385 K386 G390M384-S388 WeakPolarHBondContact O-CB 3.46Å; M384-S388 PolarHBondContact O-N 2.95Å; M384-S388 VanDerWaalsContact O-N 3.1Å; M384-S388 PolarHBondContact O-OG 3.36Å; V385-S388 WeakPolarHBondContact CA-OG 3.29Å; V385-S388 PolarHBondContact O-OG 3.01Å; K386-S388 VanDerWaalsContact C-N 3.28Å; K386-S388 PolarHBondContact O-N 2.66Å; S388-G390 PolarHBondContact O-N 2.85Å
389G75.3Confident75.9Confident72 Ų7271 Ų7174%0.74236%0.355SS*.THydrogen-bonded Turntrans64.314.6-172.400000112.8K386 K387K386-G389 PolarHBondContact O-N 3.23Å; K387-G389 PolarHBondContact O-N 3.33Å
390G70.9Confident73.6Confident35 Ų3572.5 Ų72.536%0.36137%0.365SS..  trans-69.4147.3178.300000110.8V385 S388V385-G390 WeakPolarHBondContact O-CA 3.34Å; V385-G390 PolarHBondContact O-N 2.98Å; S388-G390 PolarHBondContact O-N 2.85Å
391S69.4Low70.9Confident52 Ų5275 Ų7536%0.36439%0.392SS..  trans-84.2122.9172.2178.60000109.3R393 K394 M395S391-R393 PolarHBondContact O-N 3.13Å; S391-R393 WeakPolarHBondContact OG-CB 3.44Å; S391-R393 PolarHBondContact OG-N 2.79Å; S391-K394 WeakPolarHBondContact O-CA 3.48Å; S391-K394 WeakPolarHBondContact O-CB 3.49Å; S391-K394 PolarHBondContact O-N 2.64Å; S391-M395 PolarHBondContact O-N 2.93Å; S391-M395 VanDerWaalsContact O-N 3.11Å
392I70.1Confident68.5Low8 Ų874.8 Ų74.84%0.04141%0.406CS..Hα-helixtrans-54.7-36.6170.3-15075.1000110Y210 E382 V385 K394 M395 L396Y210-I392 HydrophobicContact CD1-CG2 3.57Å; Y210-I392 HydrophobicContact CD2-CG2 4.46Å; Y210-I392 HydrophobicContact CE1-CB 3.8Å; Y210-I392 HydrophobicContact CE1-CG1 4.4Å; Y210-I392 HydrophobicContact CE1-CG2 3.17Å; Y210-I392 HydrophobicContact CE2-CB 4.22Å; Y210-I392 HydrophobicContact CE2-CD1 4.32Å; Y210-I392 HydrophobicContact CE2-CG1 3.93Å; Y210-I392 HydrophobicContact CE2-CG2 4.1Å; Y210-I392 HydrophobicContact CG-CG2 4.21Å; Y210-I392 VanDerWaalsContact CZ-CG2 3.44Å; Y210-I392 WeakPolarHBondContact OH-CB 3.01Å; E382-I392 HydrophobicContact CG-CD1 3.87Å; V385-I392 HydrophobicContact CB-CD1 4.5Å; V385-I392 HydrophobicContact CG1-CD1 4.13Å; I392-K394 PolarHBondContact O-N 2.97Å; I392-M395 HydrophobicContact CD1-CE 3.74Å; I392-M395 HydrophobicContact CD1-SD 4.09Å; I392-M395 CarbonylContact O-C 3.57Å; I392-M395 WeakPolarHBondContact O-CA 3.49Å; I392-M395 WeakPolarHBondContact O-CB 3.29Å; I392-M395 PolarHBondContact O-N 3.39Å; I392-L396 HydrophobicContact CG1-CD1 4.13Å; I392-L396 HydrophobicContact CG1-CG 4.15Å; I392-L396 HydrophobicContact CG2-CD1 4.31Å; I392-L396 WeakPolarHBondContact O-CB 3.41Å; I392-L396 VanDerWaalsContact O-CG 3.28Å; I392-L396 WeakPolarHBondContact O-CG 3.31Å; I392-L396 PolarHBondContact O-N 3.1Å
393R63.6Low66Low101 Ų10177.8 Ų77.838%0.38143%0.425SS..Hα-helixtrans-57.7-36.1177.3-61.6-170.1-179.2-1753.4111.3Y159 D213 S391 R397Y159-R393 WeakPolarHBondContact OH-CG 3.16Å; D213-R393 IonicContact OD1-CZ 2.68Å; D213-R393 IonicContact OD1-NE 3.29Å; D213-R393 IonicContact OD1-NH2 2.72Å; D213-R393 PolarHBondContact OD1-NH2 3.39Å; D213-R393 IonicContact OD2-CZ 2.66Å; D213-R393 IonicContact OD2-NE 3.93Å; D213-R393 PolarHBondContact OD2-NE 2.98Å; D213-R393 IonicContact OD2-NH2 3.55Å; D213-R393 PolarHBondContact OD2-NH2 3.13Å; S391-R393 PolarHBondContact O-N 3.13Å; S391-R393 WeakPolarHBondContact OG-CB 3.44Å; S391-R393 PolarHBondContact OG-N 2.79Å; R393-R397 WeakPolarHBondContact O-CB 3.29Å; R393-R397 WeakPolarHBondContact O-CG 3.24Å; R393-R397 PolarHBondContact O-N 3.43Å
394K61.7Low63.3Low160 Ų16083.9 Ų83.970%0.69646%0.457SS*.Hα-helixtrans-73.3-38.7173.5-70.3-178.3-179.3178.10112.2S391 I392 L396 R398S391-K394 WeakPolarHBondContact O-CA 3.48Å; S391-K394 WeakPolarHBondContact O-CB 3.49Å; S391-K394 PolarHBondContact O-N 2.64Å; I392-K394 PolarHBondContact O-N 2.97Å; K394-L396 VanDerWaalsContact C-N 3.35Å; K394-R398 WeakPolarHBondContact O-CB 3.47Å; K394-R398 PolarHBondContact O-N 3.27Å
395M65.7Low60.8Low47 Ų4790 Ų9023%0.23248%0.476CS..Hα-helixtrans-61.2-45.3174.6-170.6-140.2-86.800111.1D381 V385 S391 I392D381-M395 WeakPolarHBondContact O-CE 3.28Å; V385-M395 HydrophobicContact CB-CE 3.55Å; V385-M395 HydrophobicContact CG1-CE 4.14Å; V385-M395 HydrophobicContact CG2-CE 3.1Å; V385-M395 HydrophobicContact CG2-CG 4.33Å; S391-M395 PolarHBondContact O-N 2.93Å; S391-M395 VanDerWaalsContact O-N 3.11Å; I392-M395 HydrophobicContact CD1-CE 3.74Å; I392-M395 HydrophobicContact CD1-SD 4.09Å; I392-M395 CarbonylContact O-C 3.57Å; I392-M395 WeakPolarHBondContact O-CA 3.49Å; I392-M395 WeakPolarHBondContact O-CB 3.29Å; I392-M395 PolarHBondContact O-N 3.39Å
396L66.6Low58.4Low10 Ų1099.1 Ų99.15%0.05251%0.507CS..Hα-helixtrans-72.8-39.8180-61.3-178.7000111.8G158 Y159 I392 K394 R399G158-L396 VanDerWaalsContact O-CD2 3.22Å; G158-L396 WeakPolarHBondContact O-CD2 3.47Å; Y159-L396 HydrophobicContact CD1-CD1 4.06Å; Y159-L396 HydrophobicContact CD2-CD1 4.26Å; Y159-L396 HydrophobicContact CE1-CD1 4.24Å; Y159-L396 HydrophobicContact CE2-CD1 4.43Å; Y159-L396 HydrophobicContact CG-CD1 4.09Å; I392-L396 HydrophobicContact CG1-CD1 4.13Å; I392-L396 HydrophobicContact CG1-CG 4.15Å; I392-L396 HydrophobicContact CG2-CD1 4.31Å; I392-L396 WeakPolarHBondContact O-CB 3.41Å; I392-L396 VanDerWaalsContact O-CG 3.28Å; I392-L396 WeakPolarHBondContact O-CG 3.31Å; I392-L396 PolarHBondContact O-N 3.1Å; K394-L396 VanDerWaalsContact C-N 3.35Å; L396-R399 WeakPolarHBondContact O-CB 3.48Å; L396-R399 PolarHBondContact O-N 2.9Å
397R56.8Low55.9Low131 Ų13199.4 Ų99.449%0.49452%0.517SS..Hα-helixtrans-71-28.9174.4-77.1-179.3-177-169.10.3114D155 R393 R399 V400 G401D155-R397 IonicContact OD2-NH2 2.65Å; R393-R397 WeakPolarHBondContact O-CB 3.29Å; R393-R397 WeakPolarHBondContact O-CG 3.24Å; R393-R397 PolarHBondContact O-N 3.43Å; R397-R399 PolarHBondContact O-N 3.19Å; R397-V400 PolarHBondContact O-N 3.06Å; R397-G401 PolarHBondContact O-N 3.39Å
398R52.2Low53.2Low213 Ų21398.8 Ų98.880%0.80452%0.522SS*.Hα-helixtrans-64.5-21.6176.8-166.6174.9177.1-168.1-2.8111.8K394K394-R398 WeakPolarHBondContact O-CB 3.47Å; K394-R398 PolarHBondContact O-N 3.27Å
399R52.2Low50.9Low78 Ų7898.7 Ų98.729%0.29452%0.522SS..Hα-helixtrans-69.1-38.9169.7-62.8-174.9-177.4157.36.4112.4E181 L396 R397E181-R399 IonicContact OE1-NE 2.72Å; L396-R399 WeakPolarHBondContact O-CB 3.48Å; L396-R399 PolarHBondContact O-N 2.9Å; R397-R399 PolarHBondContact O-N 3.19Å
400V46Very low49.2Very low34 Ų34101.2 Ų101.221%0.20651%0.514CS..Hα-helixtrans-82.2-34.1-179.1-173.10000112.5R397 G402R397-V400 PolarHBondContact O-N 3.06Å; V400-G402 VanDerWaalsContact C-N 3.27Å; V400-G402 PolarHBondContact O-N 3.04Å; V400-G402 VanDerWaalsContact O-N 3.16Å
401G36.8Very low47.3Very low60 Ų60107.2 Ų107.262%0.61953%0.533SS*.THydrogen-bonded Turntrans-76.92.5-170.200000116.9R397R397-G401 PolarHBondContact O-N 3.39Å
402G39.4Very low45.5Very low64 Ų64109.9 Ų109.966%0.6656%0.558SS**THydrogen-bonded Turntrans-81.2-17.6-175.300000115.5V400V400-G402 VanDerWaalsContact C-N 3.27Å; V400-G402 PolarHBondContact O-N 3.04Å; V400-G402 VanDerWaalsContact O-N 3.16Å
403T40.3Very low43.4Very low76 Ų76114.4 Ų114.447%0.46659%0.586SS.*  trans-14154.2-166.240.90000113.1R405T403-R405 PolarHBondContact O-N 3.47Å
404L34.4Very low41.8Very low169 Ų169119 Ų11989%0.88561%0.609SS**SBendtrans-74.266.7157.4-88.2162.6000109.8
405R34.4Very low40.1Very low220 Ų220117.1 Ų117.183%0.8362%0.616SS**SBendtrans178.6106.5155.3-100.6162.4-172.8-130.2-0.7107T403 S407T403-R405 PolarHBondContact O-N 3.47Å; R405-S407 VanDerWaalsContact C-N 3.27Å; R405-S407 PolarHBondContact O-N 3.44Å
406R36.6Very low38.3Very low218 Ų218119.9 Ų119.982%0.82364%0.637SS**  trans-50.9103.1152.2-157.3179.2-168.1-176.54.1105D408R406-D408 PolarHBondContact O-N 3.24Å
407S32.1Very low36.6Very low75 Ų75125.4 Ų125.452%0.52467%0.673SS.*  trans-63.5115.3-179.2-1690000105.9R405 S409 Q410R405-S407 VanDerWaalsContact C-N 3.27Å; R405-S407 PolarHBondContact O-N 3.44Å; S407-S409 WeakPolarHBondContact CB-OG 3.5Å; S407-S409 PolarHBondContact O-N 3.22Å; S407-S409 PolarHBondContact OG-OG 3.07Å; S407-Q410 PolarHBondContact O-N 3.06Å
408D29.8Very low35.4Very low159 Ų159127 Ų12785%0.8569%0.691SS**THydrogen-bonded Turntrans-57.38.5178-78.7-40.1000113.9R406R406-D408 PolarHBondContact O-N 3.24Å
409S35Very low34.5Very low91 Ų91125.2 Ų125.264%0.63670%0.696SS**THydrogen-bonded Turntrans-86.30.9175.551.60000114.8S407S407-S409 WeakPolarHBondContact CB-OG 3.5Å; S407-S409 PolarHBondContact O-N 3.22Å; S407-S409 PolarHBondContact OG-OG 3.07Å
410Q39.8Very low33.3Very low125 Ų125130.3 Ų130.358%0.58472%0.723SS**  trans-101.942.9176.2-65.3-171.5-1.100113.2S407S407-Q410 PolarHBondContact O-N 3.06Å
411Q29.5Very low32.6Very low161 Ų161133.8 Ų133.875%0.75275%0.749SS**SBendtrans-69.5147.1159.8-80.5-176.3-7.100109.8V413Q411-V413 HydrophobicContact CB-CG2 4.31Å; Q411-V413 WeakPolarHBondContact O-CG2 3.21Å; Q411-V413 PolarHBondContact O-N 3.42Å
412A32.2Very low32.3Very low107 Ų107137.4 Ų137.488%0.88476%0.762SS**  trans-62.483.8169.100000109.8
413V27.3Very low31.7Very low104 Ų104141.7 Ų141.763%0.6377%0.77SS**  trans-89.8119.1176.6-1780000107.7Q411 S415Q411-V413 HydrophobicContact CB-CG2 4.31Å; Q411-V413 WeakPolarHBondContact O-CG2 3.21Å; Q411-V413 PolarHBondContact O-N 3.42Å; V413-S415 PolarHBondContact O-N 3.46Å
414K29.1Very low31.4Very low198 Ų198142.7 Ų142.786%0.86179%0.786SS**  trans-50.5134.3165.5-71.1179.8177.21790109
415S26.7Very low31.1Very low120 Ų120141.2 Ų141.284%0.83978%0.784SS**  trans-28.9118.9-176-30.80000114.7V413V413-S415 PolarHBondContact O-N 3.46Å
416P27.3Very low31Very low104 Ų104142.4 Ų142.468%0.67579%0.788SS**  trans-76.1150.7160.8-6.223.8000109.8
417P29.9Very low30.5Very low126 Ų126141 Ų14182%0.81879%0.791SS**  trans-67.4153.9-177.228.5-32.4000111.8
418L33.4Very low30.2Very low164 Ų164142.2 Ų142.286%0.85980%0.799SS**  trans-45.9136.1174.2-66.3162.7000110.9E420L418-E420 PolarHBondContact O-N 3.32Å
419L31.7Very low30Very low176 Ų176143.4 Ų143.492%0.92180%0.802SS**  trans-53.999.5166.1-81156.5000109.1S421L419-S421 PolarHBondContact O-N 3.05Å
420E27.6Very low29.7Very low186 Ų186145 Ų14587%0.86981%0.808SS**  trans-61.9129.9166.3-88.9-175.2151.400108.9L418L418-E420 PolarHBondContact O-N 3.32Å
421S31.8Very low29.1Very low107 Ų107148.6 Ų148.675%0.74882%0.821SS**  trans-75.4138.4170.3-58.80000108.4L419 D423L419-S421 PolarHBondContact O-N 3.05Å; S421-D423 PolarHBondContact O-N 3.15Å; S421-D423 VanDerWaalsContact O-N 3.08Å
422P31.1Very low29Very low135 Ų135148.3 Ų148.388%0.87782%0.824SS**  trans-69.9111.2168.626.7-28.3000108.1
423D26.8Very low28.6Very low155 Ų155148.9 Ų148.983%0.82982%0.822SS**  trans-70.4152.6173.8-129.4-19.1000110.9S421 T425S421-D423 PolarHBondContact O-N 3.15Å; S421-D423 VanDerWaalsContact O-N 3.08Å; D423-T425 PolarHBondContact O-N 2.82Å
424A32.7Very low28.7Very low97 Ų97149.3 Ų149.380%0.80283%0.829SS**  trans-65.7114.8-17000000113.3
425T28.5Very low28.5Very low138 Ų138149.4 Ų149.485%0.84783%0.83SS**  trans-96.8118.7157.7400000110.2D423 E427D423-T425 PolarHBondContact O-N 2.82Å; T425-E427 PolarHBondContact O-N 3.05Å
426R32.6Very low28.4Very low245 Ų245152 Ų15293%0.92583%0.833SS**  trans-47.5127.3165.4-85.8170.6146.6162.2-6110.3
427E26.3Very low28.4Very low187 Ų187152.3 Ų152.387%0.87484%0.838SS**  trans-153128.2143.9-114165.5-154.800113.1T425T425-E427 PolarHBondContact O-N 3.05Å
428S25.2Very low28Very low101 Ų101151.2 Ų151.271%0.70684%0.84SS**  trans16.1122166.652.70000121.8V430S428-V430 PolarHBondContact O-N 3.02Å
429M26.3Very low27.5Very low185 Ų185150.2 Ų150.291%0.91184%0.84SS**  trans-43.6126.7153.3-72.5178.5-113.700113
430V27.7Very low27.1Very low125 Ų125146.5 Ų146.576%0.75883%0.829SS**  trans-126.2113.1151.1179.20000108.1S428 L432S428-V430 PolarHBondContact O-N 3.02Å; V430-L432 HydrophobicContact CG1-CD1 4.41Å
431K28.3Very low26.9Very low199 Ų199143.9 Ų143.987%0.86582%0.82SS**  trans-61.5127.3170.8-76.9171.8173172.80109.3
432L25.8Very low26.6Very low155 Ų155149.7 Ų149.781%0.81283%0.826SS**  trans-138.198155.4-102.7133.6000109.5V430V430-L432 HydrophobicContact CG1-CD1 4.41Å
433S25.7Very low26.2Very low119 Ų119146.7 Ų146.783%0.83282%0.82SS**  trans-69.8122.2162.750.10000109.5
434S27.5Very low26.1Very low113 Ų113147.6 Ų147.679%0.7982%0.822SS**  trans-149.2137.8151.457.80000111
435K26.5Very low25.6Very low201 Ų201146.6 Ų146.687%0.87482%0.822SS**  trans-68.5137.6-171.7-63.4163.5171.5176.60110
436L25Very low25.5Very low174 Ų174145.6 Ų145.691%0.91182%0.82SS**  trans-114.2118.4158.5-78.1170.7000109.4
437S25.4Very low25.3Very low110 Ų110139.9 Ų139.977%0.76982%0.815SS**  trans-63.9127.7175.2-3.50000110.1
438A23.2Very low25.3Very low104 Ų104136.4 Ų136.486%0.8681%0.812SS**  trans-75.8125165.200000109.2
439V23.2Very low25.5Very low142 Ų142138.2 Ų138.286%0.86182%0.819SS**  trans-110.2120.8159.7175.10000106.6
440S22.6Very low25.3Very low98 Ų98137.4 Ų137.469%0.68582%0.818SS**  trans-102.8143.3168.2-169.80000107.9
441L23.8Very low25.2Very low132 Ų132136.5 Ų136.569%0.69182%0.823SS**  174131.2123.7-90159.4000112.1
442R24.6Very low25.1Very low228 Ų228132.4 Ų132.486%0.8682%0.82SS**  trans56.2125142.4-67.4173-177.4178.40.2117.7
443G23.3Very low25.4Very low73 Ų73130.1 Ų130.175%0.75382%0.823SS**  cis103.293.531.900000109.1
444I24.7Very low25.4Very low173 Ų173128.9 Ų128.989%0.88782%0.815SS**  trans-140.6120.4156.8-59.5-177.1000106.1
445G22.3Very low25.6Very low77 Ų77130.1 Ų130.179%0.79481%0.812SS**  trans-87.8166.4-173.200000114.4
446S26.1Very low26.1Very low116 Ų116123.4 Ų123.481%0.81179%0.788SS**  trans-147.3151.4161.941.60000108.2
447P28.8Very low27.1Very low125 Ų125119.6 Ų119.681%0.81277%0.765SS**  trans-83.2150.6-146.831.9-33.9000113.9
448S25.5Very low28Very low115 Ų115115.6 Ų115.680%0.80474%0.742SS**  trans-63.2130.7173.548.80000113
449T28.3Very low30Very low139 Ų139112.1 Ų112.185%0.85371%0.709SS**  trans-126.5128150.737.70000108.2A451T449-A451 PolarHBondContact O-N 2.82Å
450D24.1Very low31.6Very low168 Ų168112.8 Ų112.890%0.89870%0.701SS**  trans-48.1120-173.5-74.6-47.7000113.6S452D450-S452 PolarHBondContact O-N 2.81Å
451A25.5Very low33.1Very low105 Ų105108.6 Ų108.687%0.86867%0.672SS**  trans-90.793.7169.600000109.1T449T449-A451 PolarHBondContact O-N 2.82Å
452S24.8Very low34.7Very low114 Ų114104.4 Ų104.480%0.79765%0.648SS**  trans-86.7129.9153.7570000108.6D450 S454D450-S452 PolarHBondContact O-N 2.81Å; S452-S454 PolarHBondContact O-N 3.02Å
453A33.5Very low35.9Very low106 Ų106103.1 Ų103.188%0.87665%0.652SS**  trans-62.2124-167.500000113.5
454S24.2Very low37.3Very low94 Ų94103.1 Ų103.166%0.65765%0.652SS**  trans-148.1106.9143.358.90000108S452 V456S452-S454 PolarHBondContact O-N 3.02Å; S454-V456 PolarHBondContact O-N 3.39Å
455D32.1Very low38.3Very low138 Ų13896.6 Ų96.674%0.73862%0.618SS**  trans-68.994.6173.4-94-37.4000108.6
456V36.3Very low39.3Very low60 Ų6094.5 Ų94.536%0.36460%0.596SS.*  trans-138.3103.4173-169.40000109.6R322 T324 S454 G458R322-V456 HydrophobicContact CB-CG1 4.04Å; R322-V456 HydrophobicContact CG-CG1 4.34Å; T324-V456 HydrophobicContact CG2-CG1 4.44Å; S454-V456 PolarHBondContact O-N 3.39Å; V456-G458 PolarHBondContact O-N 2.96Å
457H45.8Very low40.2Very low94 Ų9492 Ų9244%0.43557%0.574SS.*  trans-66.1118.8170.9-88.178.1000109.9
458G44.6Very low41.6Very low27 Ų2795.2 Ų95.228%0.27858%0.578SS.*  trans-91.8143.5171.800000112.1V456V456-G458 PolarHBondContact O-N 2.96Å
459N65Low42.9Very low31 Ų3193 Ų9317%0.16656%0.557CS.*EExtended strand (participates in β ladder)trans-84.2111.9166.3-61.2-53.8000108C320 W321C320-N459 CarbonylContact C-O 3.57Å; C320-N459 WeakPolarHBondContact CA-O 3.5Å; C320-N459 WeakPolarHBondContact CB-O 3.29Å; W321-N459 HydrophobicContact CD2-CB 4.07Å; W321-N459 HydrophobicContact CG-CB 4.37Å; W321-N459 HydrophobicContact CZ2-CB 3.91Å; W321-N459 PolarHBondContact N-O 3.44Å; W321-N459 PolarHBondContact NE1-ND2 2.97Å; W321-N459 VanDerWaalsContact NE1-ND2 3.1Å; W321-N459 PolarHBondContact O-N 2.83Å
460F56.8Low43.9Very low156 Ų15691.7 Ų91.768%0.68454%0.544SS*.EExtended strand (participates in β ladder)trans-77.7130.9176.3-65-86.6000110.2C320C320-F460 HydrophobicContact CB-CD1 4.09Å; C320-F460 HydrophobicContact CB-CE1 4.49Å; C320-F460 HydrophobicContact CB-CG 4.47Å
461A55.7Low44.9Very low10 Ų1087.9 Ų87.98%0.08353%0.527CS..  trans-85.9-41.5-17900000112.1M318 R319 W321 V380M318-A461 WeakPolarHBondContact O-CB 3.39Å; R319-A461 PolarHBondContact O-N 3.28Å; W321-A461 HydrophobicContact CE3-CB 4.28Å; W321-A461 HydrophobicContact CH2-CB 4.46Å; W321-A461 HydrophobicContact CZ3-CB 3.57Å; V380-A461 HydrophobicContact CG2-CB 4.34Å
462F57.7Low45.9Very low43 Ų4386.9 Ų86.919%0.18951%0.509CS..  trans-145141.1-177.9-59.4-81.5000110.3V315 T316 L383 M384 G464 I465V315-F462 HydrophobicContact CG1-CE2 4.35Å; V315-F462 WeakPolarHBondContact O-CE2 3.18Å; T316-F462 VanDerWaalsContact CA-CE2 3.48Å; T316-F462 HydrophobicContact CG2-CZ 4.24Å; L383-F462 HydrophobicContact CD1-CZ 4.44Å; M384-F462 HydrophobicContact SD-CE1 4.24Å; F462-G464 PolarHBondContact O-N 3.08Å; F462-I465 HydrophobicContact CB-CG1 4.3Å
463E49.2Very low47.1Very low202 Ų20285.4 Ų85.494%0.94449%0.493SS*.SBendtrans-76.9113.6167.9-74.6-174.8165.600109.1
464G52.6Low47.9Very low73 Ų7384.2 Ų84.275%0.75347%0.47SS*.  trans72.880.6177.100000113.5F462 G466F462-G464 PolarHBondContact O-N 3.08Å; G464-G466 PolarHBondContact O-N 3.46Å
465I45Very low49.4Very low36 Ų3683.6 Ų83.619%0.18546%0.459CS..  trans-73.9121.2163.5-58.1-170.7000107.5M318 R319 L353 F462 D469M318-I465 VanDerWaalsContact C-CD1 3.4Å; M318-I465 WeakPolarHBondContact O-CD1 3.04Å; R319-I465 HydrophobicContact CB-CD1 3.9Å; R319-I465 VanDerWaalsContact N-CD1 3.34Å; L353-I465 HydrophobicContact CB-CG2 4.47Å; L353-I465 HydrophobicContact CD2-CG2 3.73Å; F462-I465 HydrophobicContact CB-CG1 4.3Å; I465-D469 HydrophobicContact CG2-CB 4.46Å
466G43.1Very low50.5Low32 Ų3280 Ų8033%0.3344%0.44SS..  trans-116.9171.4-179.100000112.4G464 E468 D469G464-G466 PolarHBondContact O-N 3.46Å; G466-E468 PolarHBondContact O-N 3.49Å; G466-D469 PolarHBondContact O-N 2.86Å; G466-D469 VanDerWaalsContact O-N 3.08Å
467D46.4Very low51.5Low65 Ų6581.4 Ų81.435%0.34845%0.445SS..G310 helixtrans-57.8-16.1177.9-72.9-27.3000114.4K356 D469 L470K356-D467 WeakPolarHBondContact CD-OD2 3.42Å; K356-D467 WeakPolarHBondContact CE-OD2 3.19Å; K356-D467 WeakPolarHBondContact CG-OD1 3.47Å; K356-D467 IonicContact NZ-OD2 3.35Å; K356-D467 PolarHBondContact NZ-OD2 2.86Å; D467-D469 PolarHBondContact O-N 2.82Å; D467-L470 HydrophobicContact CB-CD1 4.32Å; D467-L470 WeakPolarHBondContact O-CB 3.47Å; D467-L470 PolarHBondContact O-N 3.46Å
468E57.8Low52Low191 Ų19180.5 Ų80.589%0.89345%0.446SS*.G310 helixtrans-66.1-18.4175.6-60.8-89.8142.400112.7G466G466-E468 PolarHBondContact O-N 3.49Å
469D52.4Low52.6Low68 Ų6884.9 Ų84.936%0.36446%0.46SS..G310 helixtrans-92.66.1179.2-62.4-54.7000113.3R317 I465 G466 D467R317-D469 PolarHBondContact NH1-O 3.23Å; I465-D469 HydrophobicContact CG2-CB 4.46Å; G466-D469 PolarHBondContact O-N 2.86Å; G466-D469 VanDerWaalsContact O-N 3.08Å; D467-D469 PolarHBondContact O-N 2.82Å
470L49.5Very low51.5Low112 Ų11289.8 Ų89.859%0.58649%0.487SS*.  trans-79.20178.4-70175.9000113.5R317 L353 K356 D467R317-L470 PolarHBondContact NH1-O 3.32Å; L353-L470 HydrophobicContact CD2-CD2 3.79Å; L353-L470 HydrophobicContact CD2-CG 4.31Å; L353-L470 HydrophobicContact CG-CD2 4.07Å; K356-L470 VanDerWaalsContact CA-CD1 3.5Å; K356-L470 HydrophobicContact CB-CD1 3.49Å; K356-L470 VanDerWaalsContact CB-CD1 3.49Å; K356-L470 HydrophobicContact CG-CD1 4.34Å; D467-L470 HydrophobicContact CB-CD1 4.32Å; D467-L470 WeakPolarHBondContact O-CB 3.47Å; D467-L470 PolarHBondContact O-N 3.46Å

Retrieved 470 of 470 residues in 2423.1 ms (Link to these results)

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