A0A087YJM4_POEFO Loading...

Sorting nexin 11

AlphaFold DB , UniProt , Accession A0A087YJM4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 514 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.2Very low69.1Low242 Ų242132.7 Ų132.7100%1.19269%0.694SS**  01050-71.9170.5-177.800106S3M1-S3 PolarHBondContact O-N 3.28Å
2I45Very low71.4Confident159 Ų159125.2 Ų125.282%0.81567%0.665SS**  trans-80.2105.6177.2-42.3167.4000103.3N4I2-N4 PolarHBondContact O-N 2.96Å
3S49.4Very low73.5Confident107 Ų107116.2 Ų116.275%0.74862%0.617SS**  trans-58.4105.3172.2430000106.9M1 H5M1-S3 PolarHBondContact O-N 3.28Å; S3-H5 PolarHBondContact O-N 2.85Å
4N49.9Very low75.2Confident147 Ų147118.5 Ų118.579%0.78661%0.614SS**  trans-59.597.5165-67.3-36.4000105.4I2 E6I2-N4 PolarHBondContact O-N 2.96Å; N4-E6 VanDerWaalsContact C-N 3.26Å; N4-E6 PolarHBondContact O-N 3.06Å
5H56.6Low76.8Confident155 Ų155110.6 Ų110.672%0.71857%0.573SS**  trans-67.899.6166.8-16351.3000104S3 D7S3-H5 PolarHBondContact O-N 2.85Å; H5-D7 PolarHBondContact O-N 2.98Å
6E64.5Low78Confident167 Ų167107.3 Ų107.378%0.7855%0.554SS**  trans-59.9112.3168.2-66.1-178.7144.800105.2N4 D8N4-E6 VanDerWaalsContact C-N 3.26Å; N4-E6 PolarHBondContact O-N 3.06Å; E6-D8 PolarHBondContact O-N 3.45Å
7D75.9Confident79Confident132 Ų132103.6 Ų103.671%0.70654%0.535SS*.  trans-57110177.2-67.1-50.8000107.7H5 V9H5-D7 PolarHBondContact O-N 2.98Å; D7-V9 PolarHBondContact O-N 2.95Å
8D88.6Confident79.8Confident137 Ų137100.3 Ų100.373%0.73352%0.521SS*.  trans-52.8131.1179.3-87.5-24.9000109.6E6 F10 N39E6-D8 PolarHBondContact O-N 3.45Å; D8-F10 PolarHBondContact O-N 3.49Å; D8-N39 PolarHBondContact O-ND2 3.28Å
9V93Very high80.5Confident107 Ų10797.6 Ų97.665%0.64850%0.503SS*.  trans-69.6121.1-179.8178.80000109D7 N39D7-V9 PolarHBondContact O-N 2.95Å; V9-N39 VanDerWaalsContact CA-OD1 3.3Å; V9-N39 WeakPolarHBondContact CA-OD1 3.42Å
10F95Very high81Confident86 Ų8696.6 Ų96.638%0.37750%0.498SS..  trans-124.9147.6179.275.8-91000111.7D8 A12 H37 T38 N39D8-F10 PolarHBondContact O-N 3.49Å; F10-A12 HydrophobicContact CD2-CB 4.35Å; F10-H37 AromaticContact CE2-CE1 3.91Å; F10-H37 AromaticContact CE2-ND1 3.74Å; F10-H37 WeakPolarHBondContact CE2-O 3.39Å; F10-H37 AromaticContact CZ-CE1 3.64Å; F10-H37 AromaticContact CZ-ND1 3.97Å; F10-H37 AromaticContact CZ-NE2 3.86Å; F10-T38 WeakPolarHBondContact O-CA 3.39Å; F10-T38 WeakPolarHBondContact O-CB 3.43Å; F10-T38 PolarHBondContact O-OG1 3.37Å; F10-N39 HydrophobicContact CD1-CB 4.19Å; F10-N39 VanDerWaalsContact CD1-CG 3.4Å; F10-N39 WeakPolarHBondContact CD1-ND2 3.3Å; F10-N39 WeakPolarHBondContact CD1-OD1 3.21Å; F10-N39 HydrophobicContact CE1-CB 3.78Å; F10-N39 HydrophobicContact CZ-CB 4.42Å; F10-N39 PolarHBondContact N-OD1 2.87Å; F10-N39 PolarHBondContact O-N 3.34Å; F10-N39 PolarHBondContact O-OD1 2.97Å
11V97.5Very high81.6Confident21 Ų2194.5 Ų94.513%0.12749%0.486CS..EExtended strand (participates in β ladder)trans-130.5107.2169.4-172.90000107.7T38 F43 V105V11-T38 WeakPolarHBondContact CG2-OG1 3.47Å; V11-F43 HydrophobicContact CB-CE2 4.45Å; V11-F43 HydrophobicContact CG1-CE2 3.71Å; V11-F43 HydrophobicContact CG1-CZ 3.93Å; V11-F43 HydrophobicContact CG2-CD2 4.46Å; V11-F43 HydrophobicContact CG2-CE2 3.8Å; V11-V105 HydrophobicContact CB-CG2 4.39Å; V11-V105 HydrophobicContact CG1-CB 3.94Å; V11-V105 HydrophobicContact CG1-CG1 4.42Å; V11-V105 HydrophobicContact CG1-CG2 3.93Å
12A97.3Very high83.8Confident42 Ų4287.2 Ų87.235%0.34745%0.452SS..EExtended strand (participates in β ladder)trans-103.3115.7177.200000109.7F10 L36 H37F10-A12 HydrophobicContact CD2-CB 4.35Å; A12-L36 CarbonylContact O-C 3.54Å; A12-L36 WeakPolarHBondContact O-CA 3.36Å; A12-H37 WeakPolarHBondContact CB-O 3.35Å; A12-H37 PolarHBondContact N-O 3.37Å; A12-H37 PolarHBondContact O-N 3.39Å
13V98.2Very high85.9Confident8 Ų887.1 Ų87.15%0.04845%0.448CS..EExtended strand (participates in β ladder)trans-116.1138.5175.765.10000110.3I34 F35 Q98 L101 V105V13-I34 HydrophobicContact CG2-CG2 3.93Å; V13-F35 CarbonylContact C-O 3.56Å; V13-F35 WeakPolarHBondContact CA-O 3.44Å; V13-Q98 PolarHBondContact O-NE2 3.13Å; V13-L101 HydrophobicContact CG1-CB 4Å; V13-L101 HydrophobicContact CG2-CB 4.08Å; V13-L101 HydrophobicContact CG2-CD1 3.77Å; V13-V105 HydrophobicContact CG1-CG2 4.13Å
14R98.2Very high87.5Confident149 Ų14986 Ų8656%0.56245%0.454SS*.EExtended strand (participates in β ladder)trans-133.8127.2178.3-64.1-170.9178.8-1370.4111.4Q16 I34 F35 Q98R14-Q16 HydrophobicContact CB-CG 4.12Å; R14-I34 CarbonylContact O-C 3.49Å; R14-I34 WeakPolarHBondContact O-CA 3.48Å; R14-F35 HydrophobicContact CB-CB 4.4Å; R14-F35 PolarHBondContact N-O 2.77Å; R14-F35 PolarHBondContact O-N 3.4Å; R14-Q98 VanDerWaalsContact CA-OE1 3.23Å
15V98.3Very high89.5Confident0 Ų081.3 Ų81.30%043%0.432CS..EExtended strand (participates in β ladder)trans-103.1118172.4-174.10000108.6Y32 K33 R94 L97 Q98 L101V15-Y32 HydrophobicContact CG1-CD1 4.2Å; V15-Y32 HydrophobicContact CG1-CG 4.17Å; V15-K33 CarbonylContact C-O 3.59Å; V15-K33 WeakPolarHBondContact CA-O 3.49Å; V15-R94 HydrophobicContact CB-CG 4.38Å; V15-R94 HydrophobicContact CG1-CG 3.93Å; V15-R94 VanDerWaalsContact O-CD 3.31Å; V15-R94 WeakPolarHBondContact O-CD 3.34Å; V15-R94 WeakPolarHBondContact O-CG 3.43Å; V15-R94 PolarHBondContact O-NH1 3.42Å; V15-L97 HydrophobicContact CG1-CB 4.09Å; V15-L97 HydrophobicContact CG2-CB 4.36Å; V15-Q98 HydrophobicContact CB-CB 4.33Å; V15-Q98 HydrophobicContact CG2-CB 4.39Å; V15-L101 HydrophobicContact CG2-CD1 3.65Å; V15-L101 HydrophobicContact CG2-CG 4.48Å
16Q96.4Very high91Very high58 Ų5885 Ų8527%0.27144%0.44SS..EExtended strand (participates in β ladder)trans-141.3172.8-167.3-60.4-174.698.400111.1R14 K33R14-Q16 HydrophobicContact CB-CG 4.12Å; Q16-K33 PolarHBondContact N-O 2.81Å; Q16-K33 WeakPolarHBondContact O-CB 3.38Å; Q16-K33 PolarHBondContact O-N 3.04Å
17D94.3Very high92.2Very high45 Ų4580.4 Ų80.424%0.24142%0.421CS..EExtended strand (participates in β ladder)trans49.964.9161.6176.953.4000113.4R19 K33 R51D17-R19 PolarHBondContact O-N 3.21Å; D17-R19 IonicContact OD1-CZ 2.74Å; D17-R19 IonicContact OD1-NE 3.88Å; D17-R19 PolarHBondContact OD1-NE 3.27Å; D17-R19 IonicContact OD1-NH2 3.64Å; D17-R19 PolarHBondContact OD1-NH2 3.46Å; D17-R19 VanDerWaalsContact OD1-NH2 3.12Å; D17-R19 IonicContact OD2-CZ 3.4Å; D17-R19 IonicContact OD2-NE 2.75Å; D17-R19 PolarHBondContact OD2-NE 2.77Å; D17-R19 IonicContact OD2-NH1 2.64Å; D17-R19 IonicContact OD2-NH2 3.65Å; D17-R19 PolarHBondContact OD2-NH2 3.08Å; D17-K33 HydrophobicContact CB-CB 4.02Å; D17-K33 HydrophobicContact CB-CD 4.21Å; D17-R51 PolarHBondContact O-NH2 3.27Å; D17-R51 IonicContact OD2-CZ 3.68Å; D17-R51 IonicContact OD2-NH1 3.56Å; D17-R51 PolarHBondContact OD2-NH1 2.88Å; D17-R51 IonicContact OD2-NH2 2.82Å
18P94.3Very high92.9Very high43 Ų4376.9 Ų76.928%0.27941%0.406SS..EExtended strand (participates in β ladder)trans-62129.2173.227.2-32.7000109.9V30 D31 Y32P18-V30 HydrophobicContact CB-CG1 4.16Å; P18-D31 CarbonylContact C-O 3.57Å; P18-D31 VanDerWaalsContact CA-O 3.31Å; P18-D31 WeakPolarHBondContact CA-O 3.49Å; P18-Y32 HydrophobicContact CB-CD1 4.01Å; P18-Y32 HydrophobicContact CB-CE1 3.82Å
19R92.1Very high93.1Very high49 Ų4974 Ų7419%0.18539%0.386CS..EExtended strand (participates in β ladder)trans-133.6142.2179.2-64.7-176.4-178.3174.60.8112.4D17 V30 D31 Q160D17-R19 PolarHBondContact O-N 3.21Å; D17-R19 IonicContact OD1-CZ 2.74Å; D17-R19 IonicContact OD1-NE 3.88Å; D17-R19 PolarHBondContact OD1-NE 3.27Å; D17-R19 IonicContact OD1-NH2 3.64Å; D17-R19 PolarHBondContact OD1-NH2 3.46Å; D17-R19 VanDerWaalsContact OD1-NH2 3.12Å; D17-R19 IonicContact OD2-CZ 3.4Å; D17-R19 IonicContact OD2-NE 2.75Å; D17-R19 PolarHBondContact OD2-NE 2.77Å; D17-R19 IonicContact OD2-NH1 2.64Å; D17-R19 IonicContact OD2-NH2 3.65Å; D17-R19 PolarHBondContact OD2-NH2 3.08Å; R19-V30 VanDerWaalsContact O-CA 3.26Å; R19-V30 WeakPolarHBondContact O-CA 3.42Å; R19-D31 PolarHBondContact N-O 3.06Å; R19-D31 PolarHBondContact O-N 2.83Å; R19-Q160 PolarHBondContact NH2-O 3.37Å
20I92.4Very high93.1Very high78 Ų7869.6 Ų69.640%0.436%0.359SS..EExtended strand (participates in β ladder)trans-78.7123.8169.8-58.4170.6000107.7E23 S28 V30I20-E23 HydrophobicContact CG2-CB 3.94Å; I20-E23 HydrophobicContact CG2-CG 4.21Å; I20-S28 WeakPolarHBondContact CG2-OG 3.5Å; I20-V30 HydrophobicContact CG1-CG2 4.03Å
21Q92.1Very high93.2Very high53 Ų5366 Ų6625%0.24834%0.344CS..EExtended strand (participates in β ladder)trans-100.6144.5173-57.9-58.1-3300109E23 S28 Y29 D31Q21-E23 VanDerWaalsContact C-N 3.29Å; Q21-E23 PolarHBondContact O-N 3.14Å; Q21-S28 VanDerWaalsContact O-CA 3.29Å; Q21-S28 WeakPolarHBondContact O-CA 3.49Å; Q21-S28 PolarHBondContact O-OG 3.44Å; Q21-Y29 HydrophobicContact CB-CD1 4.34Å; Q21-Y29 HydrophobicContact CB-CD2 4.04Å; Q21-Y29 HydrophobicContact CB-CE1 3.94Å; Q21-Y29 HydrophobicContact CB-CE2 3.63Å; Q21-Y29 HydrophobicContact CB-CG 4.37Å; Q21-Y29 HydrophobicContact CG-CD2 4.12Å; Q21-Y29 HydrophobicContact CG-CE2 3.55Å; Q21-Y29 PolarHBondContact N-O 3.04Å; Q21-Y29 PolarHBondContact O-N 2.79Å; Q21-Y29 VanDerWaalsContact O-N 3.17Å; Q21-D31 HydrophobicContact CG-CB 4.3Å; Q21-D31 WeakPolarHBondContact CG-OD2 3.41Å; Q21-D31 VanDerWaalsContact NE2-CG 3.33Å; Q21-D31 PolarHBondContact NE2-OD1 2.72Å; Q21-D31 PolarHBondContact NE2-OD2 3.32Å; Q21-D31 VanDerWaalsContact NE2-OD2 3.11Å
22N90.1Very high93.2Very high88 Ų8865 Ų6547%0.47134%0.338SS..SBendtrans5243.8-179.9-48.1-40.1000113.5G24 S25 N27 S28N22-G24 PolarHBondContact O-N 3.39Å; N22-S25 WeakPolarHBondContact CB-OG 3.21Å; N22-S25 WeakPolarHBondContact O-CB 3.34Å; N22-S25 PolarHBondContact O-N 2.6Å; N22-S25 VanDerWaalsContact O-N 3.08Å; N22-S25 PolarHBondContact O-OG 2.84Å; N22-N27 PolarHBondContact ND2-O 3.1Å; N22-S28 WeakPolarHBondContact O-CB 3.36Å
23E89.1Confident93.2Very high158 Ų15863.2 Ų63.274%0.73832%0.322SS*.THydrogen-bonded Turntrans-52.5137.1179.8-170.2172.9-163.800111.5I20 Q21 S25I20-E23 HydrophobicContact CG2-CB 3.94Å; I20-E23 HydrophobicContact CG2-CG 4.21Å; Q21-E23 VanDerWaalsContact C-N 3.29Å; Q21-E23 PolarHBondContact O-N 3.14Å; E23-S25 PolarHBondContact O-N 3.27Å
24G84.6Confident93.2Very high84 Ų8462.8 Ų62.887%0.86632%0.32SS*.THydrogen-bonded Turntrans78.2-3.5-177.900000115.6N22N22-G24 PolarHBondContact O-N 3.39Å
25S91.2Very high93.2Very high48 Ų4859.1 Ų59.134%0.33631%0.308SS..SBendtrans-98.9161.3174.480.50000112.8N22 E23 N27 S28N22-S25 WeakPolarHBondContact CB-OG 3.21Å; N22-S25 WeakPolarHBondContact O-CB 3.34Å; N22-S25 PolarHBondContact O-N 2.6Å; N22-S25 VanDerWaalsContact O-N 3.08Å; N22-S25 PolarHBondContact O-OG 2.84Å; E23-S25 PolarHBondContact O-N 3.27Å; S25-N27 PolarHBondContact O-N 2.93Å; S25-N27 PolarHBondContact OG-N 3.42Å; S25-S28 WeakPolarHBondContact O-CB 3.44Å; S25-S28 PolarHBondContact O-N 3.28Å; S25-S28 VanDerWaalsContact O-N 3.15Å; S25-S28 PolarHBondContact OG-N 3.21Å
26W87.5Confident93.2Very high233 Ų23359.1 Ų59.188%0.88331%0.308SS*.THydrogen-bonded Turntrans-64.5-15.9172.266.4-84.8000113.4
27N90.2Very high93.3Very high69 Ų6960.3 Ų60.337%0.36931%0.313SS..THydrogen-bonded Turntrans-102.526.6174.4-57.8108.7000112.9N22 S25 Y29N22-N27 PolarHBondContact ND2-O 3.1Å; S25-N27 PolarHBondContact O-N 2.93Å; S25-N27 PolarHBondContact OG-N 3.42Å; N27-Y29 VanDerWaalsContact O-CD1 3.25Å; N27-Y29 WeakPolarHBondContact O-CD1 3.29Å
28S91.2Very high93.5Very high58 Ų5858.2 Ų58.241%0.40630%0.302SS..  trans-65136.3174.2-179.60000111.2I20 Q21 N22 S25I20-S28 WeakPolarHBondContact CG2-OG 3.5Å; Q21-S28 VanDerWaalsContact O-CA 3.29Å; Q21-S28 WeakPolarHBondContact O-CA 3.49Å; Q21-S28 PolarHBondContact O-OG 3.44Å; N22-S28 WeakPolarHBondContact O-CB 3.36Å; S25-S28 WeakPolarHBondContact O-CB 3.44Å; S25-S28 PolarHBondContact O-N 3.28Å; S25-S28 VanDerWaalsContact O-N 3.15Å; S25-S28 PolarHBondContact OG-N 3.21Å
29Y92.4Very high93.6Very high76 Ų7658.8 Ų58.830%0.29830%0.303SS..EExtended strand (participates in β ladder)trans-152.2161.8174.262-92.7000111.6Q21 N27 D31 R53Q21-Y29 HydrophobicContact CB-CD1 4.34Å; Q21-Y29 HydrophobicContact CB-CD2 4.04Å; Q21-Y29 HydrophobicContact CB-CE1 3.94Å; Q21-Y29 HydrophobicContact CB-CE2 3.63Å; Q21-Y29 HydrophobicContact CB-CG 4.37Å; Q21-Y29 HydrophobicContact CG-CD2 4.12Å; Q21-Y29 HydrophobicContact CG-CE2 3.55Å; Q21-Y29 PolarHBondContact N-O 3.04Å; Q21-Y29 PolarHBondContact O-N 2.79Å; Q21-Y29 VanDerWaalsContact O-N 3.17Å; N27-Y29 VanDerWaalsContact O-CD1 3.25Å; N27-Y29 WeakPolarHBondContact O-CD1 3.29Å; Y29-D31 HydrophobicContact CD2-CB 4.41Å; Y29-D31 HydrophobicContact CE2-CB 4.16Å; Y29-R53 HydrophobicContact CD2-CB 3.83Å; Y29-R53 HydrophobicContact CD2-CG 4.41Å; Y29-R53 HydrophobicContact CE2-CB 4.23Å
30V93.7Very high93.8Very high15 Ų1557.4 Ų57.49%0.09130%0.301CS..EExtended strand (participates in β ladder)trans-100.9129.2173.6-179.20000110.7P18 R19 I20 Y32 R53 L90P18-V30 HydrophobicContact CB-CG1 4.16Å; R19-V30 VanDerWaalsContact O-CA 3.26Å; R19-V30 WeakPolarHBondContact O-CA 3.42Å; I20-V30 HydrophobicContact CG1-CG2 4.03Å; V30-Y32 HydrophobicContact CG1-CE2 4.27Å; V30-R53 WeakPolarHBondContact O-CB 3.36Å; V30-L90 HydrophobicContact CB-CD2 4.45Å; V30-L90 HydrophobicContact CG1-CD2 4.05Å; V30-L90 HydrophobicContact CG2-CD2 4.25Å
31D96.3Very high94Very high10 Ų1063.8 Ų63.85%0.05333%0.326CS..EExtended strand (participates in β ladder)trans-115.1165.117173.70.3000112.4P18 R19 Q21 Y29 R51 R53P18-D31 CarbonylContact C-O 3.57Å; P18-D31 VanDerWaalsContact CA-O 3.31Å; P18-D31 WeakPolarHBondContact CA-O 3.49Å; R19-D31 PolarHBondContact N-O 3.06Å; R19-D31 PolarHBondContact O-N 2.83Å; Q21-D31 HydrophobicContact CG-CB 4.3Å; Q21-D31 WeakPolarHBondContact CG-OD2 3.41Å; Q21-D31 VanDerWaalsContact NE2-CG 3.33Å; Q21-D31 PolarHBondContact NE2-OD1 2.72Å; Q21-D31 PolarHBondContact NE2-OD2 3.32Å; Q21-D31 VanDerWaalsContact NE2-OD2 3.11Å; Y29-D31 HydrophobicContact CD2-CB 4.41Å; Y29-D31 HydrophobicContact CE2-CB 4.16Å; D31-R51 VanDerWaalsContact CG-NE 3.28Å; D31-R51 IonicContact OD1-CZ 2.97Å; D31-R51 VanDerWaalsContact OD1-CZ 3.28Å; D31-R51 IonicContact OD1-NE 3.12Å; D31-R51 PolarHBondContact OD1-NE 3.3Å; D31-R51 IonicContact OD1-NH2 3.35Å; D31-R51 PolarHBondContact OD1-NH2 3.43Å; D31-R51 WeakPolarHBondContact OD2-CB 3.31Å; D31-R51 IonicContact OD2-NE 3.02Å; D31-R51 PolarHBondContact OD2-NE 3.14Å; D31-R53 HydrophobicContact CB-CB 4.29Å
32Y97.5Very high94.2Very high0 Ų063.2 Ų63.20%033%0.33CS..EExtended strand (participates in β ladder)trans-126.8136.3-177.4-56.7-95.3000109.1V15 P18 V30 R51 R52 R93 R94 L97V15-Y32 HydrophobicContact CG1-CD1 4.2Å; V15-Y32 HydrophobicContact CG1-CG 4.17Å; P18-Y32 HydrophobicContact CB-CD1 4.01Å; P18-Y32 HydrophobicContact CB-CE1 3.82Å; V30-Y32 HydrophobicContact CG1-CE2 4.27Å; Y32-R51 WeakPolarHBondContact O-CA 3.44Å; Y32-R52 PolarHBondContact N-O 3.39Å; Y32-R52 PolarHBondContact O-N 3.45Å; Y32-R93 WeakPolarHBondContact OH-CD 3.45Å; Y32-R94 HydrophobicContact CD1-CB 4.08Å; Y32-R94 HydrophobicContact CD1-CG 4.09Å; Y32-R94 HydrophobicContact CE1-CB 3.94Å; Y32-R94 HydrophobicContact CE1-CG 4.45Å; Y32-L97 HydrophobicContact CD1-CD1 4.24Å; Y32-L97 HydrophobicContact CD2-CD1 3.6Å; Y32-L97 HydrophobicContact CE1-CD1 4.34Å; Y32-L97 HydrophobicContact CE2-CD1 3.78Å; Y32-L97 HydrophobicContact CG-CD1 3.9Å
33K97.8Very high94.6Very high5 Ų559.7 Ų59.72%0.02231%0.311CS..EExtended strand (participates in β ladder)trans-70.5128.3169.4-170.8178.9177.2179.30108.6V15 Q16 D17 C49 V50 Q157 A158 E161V15-K33 CarbonylContact C-O 3.59Å; V15-K33 WeakPolarHBondContact CA-O 3.49Å; Q16-K33 PolarHBondContact N-O 2.81Å; Q16-K33 WeakPolarHBondContact O-CB 3.38Å; Q16-K33 PolarHBondContact O-N 3.04Å; D17-K33 HydrophobicContact CB-CB 4.02Å; D17-K33 HydrophobicContact CB-CD 4.21Å; K33-C49 VanDerWaalsContact CE-SG 3.54Å; K33-V50 CarbonylContact C-O 3.6Å; K33-Q157 VanDerWaalsContact CE-O 3.31Å; K33-Q157 WeakPolarHBondContact CE-O 2.94Å; K33-A158 PolarHBondContact NZ-O 2.97Å; K33-E161 IonicContact NZ-OE2 2.72Å; K33-E161 PolarHBondContact NZ-OE2 3.15Å
34I98.5Very high95Very high0 Ų055 Ų550%029%0.293CS..EExtended strand (participates in β ladder)trans-113.2119171.5-52.3172.3000107V13 R14 C49 V50 R52 F57 L101 F119 L120V13-I34 HydrophobicContact CG2-CG2 3.93Å; R14-I34 CarbonylContact O-C 3.49Å; R14-I34 WeakPolarHBondContact O-CA 3.48Å; I34-C49 CarbonylContact O-C 3.59Å; I34-C49 VanDerWaalsContact O-CA 3.29Å; I34-C49 WeakPolarHBondContact O-CA 3.36Å; I34-V50 HydrophobicContact CB-CG2 3.84Å; I34-V50 HydrophobicContact CD1-CG2 4.14Å; I34-V50 HydrophobicContact CG1-CG2 4.39Å; I34-V50 PolarHBondContact N-O 2.75Å; I34-V50 PolarHBondContact O-N 2.85Å; I34-R52 HydrophobicContact CD1-CB 3.88Å; I34-R52 HydrophobicContact CD1-CG 3.68Å; I34-F57 HydrophobicContact CD1-CE1 4.19Å; I34-F57 HydrophobicContact CD1-CE2 4.29Å; I34-F57 HydrophobicContact CD1-CZ 3.54Å; I34-F57 HydrophobicContact CG1-CZ 4.15Å; I34-L101 HydrophobicContact CD1-CD1 4.14Å; I34-L101 HydrophobicContact CG1-CD1 4.39Å; I34-L101 HydrophobicContact CG2-CD1 3.84Å; I34-F119 HydrophobicContact CD1-CD1 4.48Å; I34-F119 HydrophobicContact CD1-CE1 3.66Å; I34-F119 HydrophobicContact CD1-CZ 4.25Å; I34-L120 HydrophobicContact CD1-CD2 4.43Å; I34-L120 HydrophobicContact CG2-CD2 3.96Å
35F98.1Very high95.6Very high71 Ų7151.5 Ų51.531%0.31126%0.256SS..EExtended strand (participates in β ladder)trans-107.3131171.9-178.9-100.2000109.3V13 R14 H37 S48 C49V13-F35 CarbonylContact C-O 3.56Å; V13-F35 WeakPolarHBondContact CA-O 3.44Å; R14-F35 HydrophobicContact CB-CB 4.4Å; R14-F35 PolarHBondContact N-O 2.77Å; R14-F35 PolarHBondContact O-N 3.4Å; F35-H37 HydrophobicContact CE1-CB 3.82Å; F35-H37 HydrophobicContact CZ-CB 4.24Å; F35-S48 WeakPolarHBondContact CA-O 3.29Å; F35-C49 HydrophobicContact CD2-CB 4.39Å
36L98.1Very high95.8Very high0 Ų056.8 Ų56.80%027%0.273CS..EExtended strand (participates in β ladder)trans-123.7134.5176.6176.2143.6000108.9A12 T38 F43 T47 S48 L120A12-L36 CarbonylContact O-C 3.54Å; A12-L36 WeakPolarHBondContact O-CA 3.36Å; L36-T38 HydrophobicContact CD2-CG2 3.77Å; L36-F43 HydrophobicContact CD1-CD1 3.97Å; L36-F43 HydrophobicContact CD1-CE1 3.6Å; L36-F43 HydrophobicContact CD1-CZ 4.07Å; L36-F43 HydrophobicContact CD2-CD1 4.39Å; L36-T47 CarbonylContact O-C 3.6Å; L36-T47 WeakPolarHBondContact O-CA 3.44Å; L36-S48 PolarHBondContact N-O 3.47Å; L36-S48 PolarHBondContact O-N 3.25Å; L36-L120 HydrophobicContact CD1-CB 4.33Å; L36-L120 HydrophobicContact CD1-CD1 3.99Å
37H97.8Very high96.3Very high83 Ų8349.4 Ų49.438%0.38425%0.254SS..EExtended strand (participates in β ladder)trans-138.7127.5171.9178.3-143.7000109.4F10 A12 F35 K46 T47F10-H37 AromaticContact CE2-CE1 3.91Å; F10-H37 AromaticContact CE2-ND1 3.74Å; F10-H37 WeakPolarHBondContact CE2-O 3.39Å; F10-H37 AromaticContact CZ-CE1 3.64Å; F10-H37 AromaticContact CZ-ND1 3.97Å; F10-H37 AromaticContact CZ-NE2 3.86Å; A12-H37 WeakPolarHBondContact CB-O 3.35Å; A12-H37 PolarHBondContact N-O 3.37Å; A12-H37 PolarHBondContact O-N 3.39Å; F35-H37 HydrophobicContact CE1-CB 3.82Å; F35-H37 HydrophobicContact CZ-CB 4.24Å; H37-K46 CarbonylContact C-O 3.53Å; H37-K46 WeakPolarHBondContact CA-O 3.36Å; H37-T47 HydrophobicContact CB-CG2 4.36Å
38T97.8Very high96.6Very high2 Ų246.6 Ų46.61%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-156.4151.7-173.8-174.70000112F10 V11 L36 S40 F43 K46F10-T38 WeakPolarHBondContact O-CA 3.39Å; F10-T38 WeakPolarHBondContact O-CB 3.43Å; F10-T38 PolarHBondContact O-OG1 3.37Å; V11-T38 WeakPolarHBondContact CG2-OG1 3.47Å; L36-T38 HydrophobicContact CD2-CG2 3.77Å; T38-S40 WeakPolarHBondContact OG1-CB 3.34Å; T38-S40 PolarHBondContact OG1-N 2.76Å; T38-F43 HydrophobicContact CG2-CB 3.8Å; T38-F43 HydrophobicContact CG2-CD2 3.77Å; T38-F43 HydrophobicContact CG2-CG 3.89Å; T38-K46 PolarHBondContact N-O 2.89Å; T38-K46 WeakPolarHBondContact O-CA 3.48Å; T38-K46 WeakPolarHBondContact O-CB 3.32Å
39N96.8Very high96.9Very high55 Ų5544.1 Ų44.129%0.29422%0.222SC..  trans-102.72.1163.866.4-5.7000112.4D8 V9 F10D8-N39 PolarHBondContact O-ND2 3.28Å; V9-N39 VanDerWaalsContact CA-OD1 3.3Å; V9-N39 WeakPolarHBondContact CA-OD1 3.42Å; F10-N39 HydrophobicContact CD1-CB 4.19Å; F10-N39 VanDerWaalsContact CD1-CG 3.4Å; F10-N39 WeakPolarHBondContact CD1-ND2 3.3Å; F10-N39 WeakPolarHBondContact CD1-OD1 3.21Å; F10-N39 HydrophobicContact CE1-CB 3.78Å; F10-N39 HydrophobicContact CZ-CB 4.42Å; F10-N39 PolarHBondContact N-OD1 2.87Å; F10-N39 PolarHBondContact O-N 3.34Å; F10-N39 PolarHBondContact O-OD1 2.97Å
40S96.4Very high97.2Very high20 Ų2040.5 Ų40.514%0.1421%0.208CC..  trans-69.3133-177.9179.40000111.6T38 A42 F43T38-S40 WeakPolarHBondContact OG1-CB 3.34Å; T38-S40 PolarHBondContact OG1-N 2.76Å; S40-A42 PolarHBondContact O-N 3.49Å; S40-A42 WeakPolarHBondContact OG-CB 3.16Å; S40-A42 PolarHBondContact OG-N 2.82Å; S40-F43 PolarHBondContact O-N 2.97Å
41K96.3Very high97.4Very high211 Ų21140.4 Ų40.492%0.91721%0.206SC*.THydrogen-bonded Turntrans-69.5-8.6175.3-63.5-178.8-178.7175.30113.5F43K41-F43 PolarHBondContact O-N 3.36Å
42A96.6Very high97.5Very high41 Ų4140 Ų4034%0.33920%0.203SC..THydrogen-bonded Turntrans-67.5-23.1173.800000112.1S40 L111 H117S40-A42 PolarHBondContact O-N 3.49Å; S40-A42 WeakPolarHBondContact OG-CB 3.16Å; S40-A42 PolarHBondContact OG-N 2.82Å; A42-L111 HydrophobicContact CB-CD1 4.39Å; A42-H117 PolarHBondContact O-CE1 3.26Å; A42-H117 PolarHBondContact O-NE2 3.02Å
43F98.2Very high97.5Very high14 Ų1445 Ų456%0.06122%0.222CC..SBendtrans-105.9141-177.8-66.5-87.8000111.4V11 L36 T38 S40 K41 V105 L111 H117 L120V11-F43 HydrophobicContact CB-CE2 4.45Å; V11-F43 HydrophobicContact CG1-CE2 3.71Å; V11-F43 HydrophobicContact CG1-CZ 3.93Å; V11-F43 HydrophobicContact CG2-CD2 4.46Å; V11-F43 HydrophobicContact CG2-CE2 3.8Å; L36-F43 HydrophobicContact CD1-CD1 3.97Å; L36-F43 HydrophobicContact CD1-CE1 3.6Å; L36-F43 HydrophobicContact CD1-CZ 4.07Å; L36-F43 HydrophobicContact CD2-CD1 4.39Å; T38-F43 HydrophobicContact CG2-CB 3.8Å; T38-F43 HydrophobicContact CG2-CD2 3.77Å; T38-F43 HydrophobicContact CG2-CG 3.89Å; S40-F43 PolarHBondContact O-N 2.97Å; K41-F43 PolarHBondContact O-N 3.36Å; F43-V105 HydrophobicContact CZ-CG1 4.35Å; F43-L111 HydrophobicContact CE1-CD2 4.41Å; F43-L111 HydrophobicContact CE2-CD2 3.73Å; F43-L111 HydrophobicContact CZ-CD2 3.46Å; F43-L111 VanDerWaalsContact CZ-CD2 3.46Å; F43-H117 AromaticContact CD1-CE1 3.64Å; F43-H117 AromaticContact CD1-ND1 3.44Å; F43-H117 WeakPolarHBondContact CD1-ND1 3.38Å; F43-H117 AromaticContact CE1-CE1 3.8Å; F43-H117 AromaticContact CE1-ND1 3.78Å; F43-L120 HydrophobicContact CE1-CD1 4.1Å
44T97.9Very high97.4Very high59 Ų5945.9 Ų45.936%0.36223%0.226SC..SBendtrans-74.4-47-179.4-60.60000111.6T142 I145 L146T44-T142 HydrophobicContact CG2-CG2 3.88Å; T44-I145 HydrophobicContact CG2-CB 4.12Å; T44-I145 HydrophobicContact CG2-CG2 3.84Å; T44-L146 HydrophobicContact CG2-CD2 3.79Å; T44-L146 HydrophobicContact CG2-CG 3.97Å
45A96.9Very high97.3Very high12 Ų1248.3 Ų48.310%0.09924%0.243CC..SBendtrans-98.1136.4173.700000111T47 Q121 I145 A149A45-T47 VanDerWaalsContact C-N 3.26Å; A45-T47 PolarHBondContact O-N 2.88Å; A45-Q121 PolarHBondContact O-NE2 3.46Å; A45-I145 HydrophobicContact CB-CG2 4.09Å; A45-A149 HydrophobicContact CB-CB 4.34Å
46K96.8Very high97.3Very high158 Ų15846.1 Ų46.169%0.68723%0.234SC*.SBendtrans-67.8-28.9175.9-66.8-174.6179.4-177.50112.6H37 T38H37-K46 CarbonylContact C-O 3.53Å; H37-K46 WeakPolarHBondContact CA-O 3.36Å; T38-K46 PolarHBondContact N-O 2.89Å; T38-K46 WeakPolarHBondContact O-CA 3.48Å; T38-K46 WeakPolarHBondContact O-CB 3.32Å
47T96.9Very high97.3Very high78 Ų7846.1 Ų46.148%0.47923%0.234SC..EExtended strand (participates in β ladder)trans-135.3139.7178.153.30000110.3L36 H37 A45L36-T47 CarbonylContact O-C 3.6Å; L36-T47 WeakPolarHBondContact O-CA 3.44Å; H37-T47 HydrophobicContact CB-CG2 4.36Å; A45-T47 VanDerWaalsContact C-N 3.26Å; A45-T47 PolarHBondContact O-N 2.88Å
48S97.7Very high97.2Very high10 Ų1043.8 Ų43.87%0.0722%0.223CC..EExtended strand (participates in β ladder)trans-144.2151.7167.862.20000111.2F35 L36 L120F35-S48 WeakPolarHBondContact CA-O 3.29Å; L36-S48 PolarHBondContact N-O 3.47Å; L36-S48 PolarHBondContact O-N 3.25Å; S48-L120 PolarHBondContact OG-O 2.89Å
49C97.6Very high97.2Very high6 Ų645.3 Ų45.34%0.04123%0.229CC..EExtended strand (participates in β ladder)trans-131.8123.2169.1-177.50000107K33 I34 F35 Y148 G154 Q157 A158K33-C49 VanDerWaalsContact CE-SG 3.54Å; I34-C49 CarbonylContact O-C 3.59Å; I34-C49 VanDerWaalsContact O-CA 3.29Å; I34-C49 WeakPolarHBondContact O-CA 3.36Å; F35-C49 HydrophobicContact CD2-CB 4.39Å; C49-Y148 PolarHBondContact O-OH 2.98Å; C49-G154 WeakPolarHBondContact CB-O 3.5Å; C49-G154 WeakPolarHBondContact O-CA 3.44Å; C49-Q157 PolarHBondContact O-OE1 3.06Å; C49-Q157 VanDerWaalsContact O-OE1 3.09Å; C49-A158 HydrophobicContact CB-CB 4.41Å
50V98Very high97.3Very high0 Ų042.7 Ų42.70%022%0.215CC..EExtended strand (participates in β ladder)trans-136162-179.5-61.30000109.7K33 I34 R52 L120 T122 Y148K33-V50 CarbonylContact C-O 3.6Å; I34-V50 HydrophobicContact CB-CG2 3.84Å; I34-V50 HydrophobicContact CD1-CG2 4.14Å; I34-V50 HydrophobicContact CG1-CG2 4.39Å; I34-V50 PolarHBondContact N-O 2.75Å; I34-V50 PolarHBondContact O-N 2.85Å; V50-R52 HydrophobicContact CG2-CG 4.37Å; V50-L120 WeakPolarHBondContact CG1-O 3.39Å; V50-T122 WeakPolarHBondContact CG1-O 3.43Å; V50-Y148 HydrophobicContact CG1-CE1 3.83Å
51R97.8Very high97.4Very high14 Ų1444.7 Ų44.75%0.05322%0.219CC..EExtended strand (participates in β ladder)trans-117.1131.8170.4-58.6-167.772.283.29.5111.2D17 D31 Y32 Q123 Q157D17-R51 PolarHBondContact O-NH2 3.27Å; D17-R51 IonicContact OD2-CZ 3.68Å; D17-R51 IonicContact OD2-NH1 3.56Å; D17-R51 PolarHBondContact OD2-NH1 2.88Å; D17-R51 IonicContact OD2-NH2 2.82Å; D31-R51 VanDerWaalsContact CG-NE 3.28Å; D31-R51 IonicContact OD1-CZ 2.97Å; D31-R51 VanDerWaalsContact OD1-CZ 3.28Å; D31-R51 IonicContact OD1-NE 3.12Å; D31-R51 PolarHBondContact OD1-NE 3.3Å; D31-R51 IonicContact OD1-NH2 3.35Å; D31-R51 PolarHBondContact OD1-NH2 3.43Å; D31-R51 WeakPolarHBondContact OD2-CB 3.31Å; D31-R51 IonicContact OD2-NE 3.02Å; D31-R51 PolarHBondContact OD2-NE 3.14Å; Y32-R51 WeakPolarHBondContact O-CA 3.44Å; R51-Q123 PolarHBondContact O-NE2 3.01Å; R51-Q123 PolarHBondContact O-OE1 3Å; R51-Q157 HydrophobicContact CG-CG 4.45Å
52R98.2Very high97.4Very high0 Ų041.1 Ų41.10%020%0.204CC..EExtended strand (participates in β ladder)trans-136.6138.3-178.4-62.8-68.4-175.7179.6-4.2111.1Y32 I34 V50 E56 F57 L118 F119 T122 L124Y32-R52 PolarHBondContact N-O 3.39Å; Y32-R52 PolarHBondContact O-N 3.45Å; I34-R52 HydrophobicContact CD1-CB 3.88Å; I34-R52 HydrophobicContact CD1-CG 3.68Å; V50-R52 HydrophobicContact CG2-CG 4.37Å; R52-E56 VanDerWaalsContact CA-OE2 3.27Å; R52-E56 WeakPolarHBondContact CA-OE2 3.34Å; R52-E56 WeakPolarHBondContact CD-OE2 3.32Å; R52-E56 IonicContact CZ-OE1 3.51Å; R52-E56 IonicContact NH1-OE1 3.88Å; R52-E56 PolarHBondContact NH1-OE1 2.94Å; R52-F57 HydrophobicContact CB-CD2 4.33Å; R52-F57 HydrophobicContact CB-CE2 3.69Å; R52-F57 HydrophobicContact CB-CZ 4.3Å; R52-L118 PolarHBondContact NH2-O 3.42Å; R52-F119 HydrophobicContact CB-CE1 4.39Å; R52-F119 HydrophobicContact CB-CE2 4.1Å; R52-F119 HydrophobicContact CB-CZ 3.7Å; R52-F119 HydrophobicContact CG-CD1 4.44Å; R52-F119 HydrophobicContact CG-CD2 4.32Å; R52-F119 HydrophobicContact CG-CE1 3.9Å; R52-F119 HydrophobicContact CG-CE2 3.76Å; R52-F119 HydrophobicContact CG-CZ 3.53Å; R52-F119 PolarHBondContact NE-O 2.81Å; R52-F119 PolarHBondContact NH2-O 2.8Å; R52-T122 PolarHBondContact NH2-O 3.48Å; R52-L124 PolarHBondContact NH1-O 3.21Å; R52-L124 PolarHBondContact NH2-O 2.64Å; R52-L124 VanDerWaalsContact NH2-O 3.09Å
53R96.5Very high97.4Very high106 Ų10641.7 Ų41.740%0.420%0.198SC..EExtended strand (participates in β ladder)trans-89.3157.9174.166.6178.8-173.6171.24.9111.4Y29 V30 D31 S55 E56 F57Y29-R53 HydrophobicContact CD2-CB 3.83Å; Y29-R53 HydrophobicContact CD2-CG 4.41Å; Y29-R53 HydrophobicContact CE2-CB 4.23Å; V30-R53 WeakPolarHBondContact O-CB 3.36Å; D31-R53 HydrophobicContact CB-CB 4.29Å; R53-S55 VanDerWaalsContact C-N 3.29Å; R53-S55 WeakPolarHBondContact CD-OG 3.37Å; R53-S55 PolarHBondContact NE-OG 2.92Å; R53-S55 PolarHBondContact O-N 3.18Å; R53-S55 VanDerWaalsContact O-N 3.17Å; R53-E56 HydrophobicContact CG-CG 3.76Å; R53-E56 WeakPolarHBondContact CG-OE2 3.4Å; R53-E56 PolarHBondContact N-OE2 3.35Å; R53-E56 WeakPolarHBondContact O-CB 3.31Å; R53-E56 PolarHBondContact O-N 3.06Å; R53-F57 WeakPolarHBondContact O-CD2 3.4Å; R53-F57 PolarHBondContact O-N 3.06Å
54Y96.2Very high97.3Very high23 Ų2341.1 Ų41.19%0.0920%0.196CC..Hα-helixtrans-53.6-40.4-175.7175.9-94.9000113.7E56 F57 E58 P77 K79 R93 L97Y54-E56 PolarHBondContact O-N 3.27Å; Y54-F57 WeakPolarHBondContact O-CB 3.47Å; Y54-F57 PolarHBondContact O-N 3.49Å; Y54-E58 HydrophobicContact CD1-CG 4.08Å; Y54-E58 HydrophobicContact CE1-CG 3.55Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.29Å; Y54-E58 VanDerWaalsContact CZ-OE1 3.26Å; Y54-E58 WeakPolarHBondContact O-CG 3.39Å; Y54-E58 PolarHBondContact O-N 2.82Å; Y54-E58 VanDerWaalsContact O-N 3.15Å; Y54-E58 PolarHBondContact OH-OE1 3.14Å; Y54-P77 HydrophobicContact CE2-CG 4.1Å; Y54-P77 PolarHBondContact OH-O 3.28Å; Y54-K79 HydrophobicContact CE1-CG 4.09Å; Y54-R93 HydrophobicContact CD2-CG 4.03Å; Y54-L97 HydrophobicContact CD2-CD2 4.09Å; Y54-L97 HydrophobicContact CE2-CD2 4.43Å
55S95.9Very high97.2Very high52 Ų5243.3 Ų43.336%0.36420%0.202SC..Hα-helixtrans-64.5-26.3179.2540000113.9R53 E58 W59R53-S55 VanDerWaalsContact C-N 3.29Å; R53-S55 WeakPolarHBondContact CD-OG 3.37Å; R53-S55 PolarHBondContact NE-OG 2.92Å; R53-S55 PolarHBondContact O-N 3.18Å; R53-S55 VanDerWaalsContact O-N 3.17Å; S55-E58 PolarHBondContact O-N 3.34Å; S55-W59 PolarHBondContact O-N 3.17Å; S55-W59 VanDerWaalsContact O-N 3.15Å
56E98.3Very high97.1Very high24 Ų2450.6 Ų50.611%0.11223%0.231CC..Hα-helixtrans-72.8-33.5173.2-59.5176.497.800111.5R52 R53 Y54 E58 W59 L60 F119 V126R52-E56 VanDerWaalsContact CA-OE2 3.27Å; R52-E56 WeakPolarHBondContact CA-OE2 3.34Å; R52-E56 WeakPolarHBondContact CD-OE2 3.32Å; R52-E56 IonicContact CZ-OE1 3.51Å; R52-E56 IonicContact NH1-OE1 3.88Å; R52-E56 PolarHBondContact NH1-OE1 2.94Å; R53-E56 HydrophobicContact CG-CG 3.76Å; R53-E56 WeakPolarHBondContact CG-OE2 3.4Å; R53-E56 PolarHBondContact N-OE2 3.35Å; R53-E56 WeakPolarHBondContact O-CB 3.31Å; R53-E56 PolarHBondContact O-N 3.06Å; Y54-E56 PolarHBondContact O-N 3.27Å; E56-E58 VanDerWaalsContact C-N 3.32Å; E56-W59 WeakPolarHBondContact O-CB 3.33Å; E56-W59 PolarHBondContact O-N 3.45Å; E56-L60 WeakPolarHBondContact O-CB 3.28Å; E56-L60 PolarHBondContact O-N 3.34Å; E56-F119 HydrophobicContact CB-CE2 3.82Å; E56-V126 HydrophobicContact CB-CG2 4.19Å; E56-V126 HydrophobicContact CG-CG2 3.91Å
57F98.2Very high96.8Very high0 Ų047.1 Ų47.10%022%0.22CC..Hα-helixtrans-64.2-39171.3-73.8-95.8000111.5I34 R52 R53 Y54 W59 L60 R61 L76 L97 F100 L101 F119I34-F57 HydrophobicContact CD1-CE1 4.19Å; I34-F57 HydrophobicContact CD1-CE2 4.29Å; I34-F57 HydrophobicContact CD1-CZ 3.54Å; I34-F57 HydrophobicContact CG1-CZ 4.15Å; R52-F57 HydrophobicContact CB-CD2 4.33Å; R52-F57 HydrophobicContact CB-CE2 3.69Å; R52-F57 HydrophobicContact CB-CZ 4.3Å; R53-F57 WeakPolarHBondContact O-CD2 3.4Å; R53-F57 PolarHBondContact O-N 3.06Å; Y54-F57 WeakPolarHBondContact O-CB 3.47Å; Y54-F57 PolarHBondContact O-N 3.49Å; F57-W59 VanDerWaalsContact C-N 3.31Å; F57-W59 PolarHBondContact O-N 2.84Å; F57-L60 PolarHBondContact O-N 2.96Å; F57-R61 PolarHBondContact O-N 3.36Å; F57-L76 HydrophobicContact CB-CD1 4.21Å; F57-L76 HydrophobicContact CB-CD2 3.92Å; F57-L76 WeakPolarHBondContact O-CD1 3.39Å; F57-L97 HydrophobicContact CB-CD2 4.01Å; F57-L97 HydrophobicContact CD1-CD2 3.74Å; F57-L97 HydrophobicContact CD2-CD1 4.17Å; F57-L97 HydrophobicContact CD2-CD2 3.99Å; F57-L97 HydrophobicContact CE1-CB 4.37Å; F57-L97 HydrophobicContact CE1-CD2 4.08Å; F57-L97 HydrophobicContact CE2-CD1 3.92Å; F57-L97 HydrophobicContact CE2-CD2 4.34Å; F57-L97 HydrophobicContact CG-CD2 3.66Å; F57-L97 HydrophobicContact CZ-CB 4.45Å; F57-L97 HydrophobicContact CZ-CD1 4.15Å; F57-L97 HydrophobicContact CZ-CD2 4.36Å; F57-F100 HydrophobicContact CD1-CD1 4.08Å; F57-F100 HydrophobicContact CD1-CE1 4.11Å; F57-L101 HydrophobicContact CE1-CD1 3.9Å; F57-L101 HydrophobicContact CE1-CD2 4Å; F57-L101 HydrophobicContact CE1-CG 3.91Å; F57-L101 HydrophobicContact CZ-CD1 4.41Å; F57-F119 HydrophobicContact CD1-CE1 4.18Å; F57-F119 AromaticContact CD1-CZ 3.84Å; F57-F119 HydrophobicContact CD1-CZ 3.84Å; F57-F119 AromaticContact CD2-CZ 3.94Å; F57-F119 HydrophobicContact CD2-CZ 3.94Å; F57-F119 AromaticContact CE1-CE1 3.92Å; F57-F119 HydrophobicContact CE1-CE1 3.92Å; F57-F119 AromaticContact CE1-CZ 3.89Å; F57-F119 HydrophobicContact CE1-CZ 3.89Å; F57-F119 AromaticContact CE2-CZ 3.97Å; F57-F119 HydrophobicContact CE2-CZ 3.97Å; F57-F119 AromaticContact CG-CZ 3.89Å; F57-F119 HydrophobicContact CG-CZ 3.89Å; F57-F119 HydrophobicContact CZ-CE1 4.16Å; F57-F119 AromaticContact CZ-CZ 3.96Å; F57-F119 HydrophobicContact CZ-CZ 3.96Å
58E97.2Very high96.5Very high35 Ų3543.8 Ų43.816%0.16420%0.2CC..Hα-helixtrans-62.3-42.3175.8-54.5-153.8122.100112.1Y54 S55 E56 K62 L76 K79Y54-E58 HydrophobicContact CD1-CG 4.08Å; Y54-E58 HydrophobicContact CE1-CG 3.55Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.29Å; Y54-E58 VanDerWaalsContact CZ-OE1 3.26Å; Y54-E58 WeakPolarHBondContact O-CG 3.39Å; Y54-E58 PolarHBondContact O-N 2.82Å; Y54-E58 VanDerWaalsContact O-N 3.15Å; Y54-E58 PolarHBondContact OH-OE1 3.14Å; S55-E58 PolarHBondContact O-N 3.34Å; E56-E58 VanDerWaalsContact C-N 3.32Å; E58-K62 VanDerWaalsContact O-CG 3.32Å; E58-K62 WeakPolarHBondContact O-CG 3.43Å; E58-K62 PolarHBondContact O-N 3.07Å; E58-K62 VanDerWaalsContact O-N 3.09Å; E58-L76 VanDerWaalsContact CA-CD1 3.5Å; E58-L76 HydrophobicContact CB-CD1 4.29Å; E58-L76 HydrophobicContact CG-CD1 4.03Å; E58-K79 WeakPolarHBondContact OE1-CE 3.47Å; E58-K79 WeakPolarHBondContact OE1-CG 3.26Å; E58-K79 IonicContact OE1-NZ 3.5Å; E58-K79 WeakPolarHBondContact OE2-CE 3.34Å; E58-K79 IonicContact OE2-NZ 2.81Å; E58-K79 PolarHBondContact OE2-NZ 3.44Å
59W97.8Very high96.1Very high34 Ų3446.3 Ų46.313%0.12923%0.228CC..Hα-helixtrans-59.5-48.9172.3170.491.3000110.8S55 E56 F57 R61 K62 K63 Q115 V126 I129 Q130S55-W59 PolarHBondContact O-N 3.17Å; S55-W59 VanDerWaalsContact O-N 3.15Å; E56-W59 WeakPolarHBondContact O-CB 3.33Å; E56-W59 PolarHBondContact O-N 3.45Å; F57-W59 VanDerWaalsContact C-N 3.31Å; F57-W59 PolarHBondContact O-N 2.84Å; W59-R61 PolarHBondContact O-N 2.72Å; W59-K62 PolarHBondContact O-N 3.13Å; W59-K63 HydrophobicContact CD2-CG 4.11Å; W59-K63 HydrophobicContact CH2-CG 4.34Å; W59-K63 HydrophobicContact CZ2-CD 4.5Å; W59-K63 HydrophobicContact CZ2-CG 3.76Å; W59-K63 VanDerWaalsContact NE1-CE 3.26Å; W59-K63 WeakPolarHBondContact O-CG 3.31Å; W59-K63 PolarHBondContact O-N 2.84Å; W59-Q115 HydrophobicContact CH2-CB 4.1Å; W59-Q115 HydrophobicContact CH2-CG 4.48Å; W59-V126 VanDerWaalsContact CD1-CG1 3.49Å; W59-V126 HydrophobicContact CD2-CB 4.39Å; W59-V126 HydrophobicContact CD2-CG1 3.5Å; W59-V126 HydrophobicContact CD2-CG2 4.03Å; W59-V126 HydrophobicContact CE3-CG1 4.18Å; W59-V126 HydrophobicContact CE3-CG2 3.97Å; W59-V126 HydrophobicContact CG-CG1 3.66Å; W59-V126 HydrophobicContact CG-CG2 4.31Å; W59-V126 HydrophobicContact CZ2-CG1 3.89Å; W59-I129 HydrophobicContact CH2-CB 4.15Å; W59-I129 HydrophobicContact CH2-CD1 4.47Å; W59-I129 HydrophobicContact CH2-CG2 3.65Å; W59-I129 HydrophobicContact CZ2-CG2 4.47Å; W59-I129 HydrophobicContact CZ3-CD1 4.37Å; W59-I129 HydrophobicContact CZ3-CG2 4.43Å; W59-Q130 HydrophobicContact CZ2-CG 3.66Å
60L98.3Very high95.7Very high0 Ų054.6 Ų54.60%027%0.271CS..Hα-helixtrans-58.5-48.5179.7177.266.5000111.3E56 F57 K62 K63 L64 F100 L116 F119E56-L60 WeakPolarHBondContact O-CB 3.28Å; E56-L60 PolarHBondContact O-N 3.34Å; F57-L60 PolarHBondContact O-N 2.96Å; L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 3.5Å; L60-K63 PolarHBondContact O-N 2.67Å; L60-K63 VanDerWaalsContact O-N 3.12Å; L60-L64 HydrophobicContact CD1-CD1 4.11Å; L60-L64 HydrophobicContact CD1-CG 4.07Å; L60-L64 HydrophobicContact CD2-CD1 4.46Å; L60-L64 HydrophobicContact CG-CD1 3.91Å; L60-L64 HydrophobicContact CG-CG 4.27Å; L60-L64 WeakPolarHBondContact O-CB 3.48Å; L60-L64 WeakPolarHBondContact O-CG 3.13Å; L60-L64 PolarHBondContact O-N 3.21Å; L60-F100 HydrophobicContact CD2-CE1 4.21Å; L60-L116 HydrophobicContact CD1-CB 4.49Å; L60-L116 HydrophobicContact CD1-CD1 4.37Å; L60-L116 HydrophobicContact CD2-CD1 3.98Å; L60-F119 HydrophobicContact CB-CD2 4.33Å; L60-F119 HydrophobicContact CB-CE2 4.35Å; L60-F119 HydrophobicContact CD1-CB 4.33Å; L60-F119 HydrophobicContact CD1-CG 4.46Å; L60-F119 HydrophobicContact CD2-CB 4.41Å; L60-F119 HydrophobicContact CD2-CD1 3.61Å; L60-F119 HydrophobicContact CD2-CD2 4.17Å; L60-F119 HydrophobicContact CD2-CE1 3.77Å; L60-F119 HydrophobicContact CD2-CE2 4.3Å; L60-F119 HydrophobicContact CD2-CG 3.82Å; L60-F119 HydrophobicContact CD2-CZ 4.11Å
61R97.3Very high95.4Very high61 Ų6157.4 Ų57.423%0.2329%0.288CS..Hα-helixtrans-57.4-45177.5177.2173.3175.2-864.8111.6F57 W59 K63 L64 Q65 V73 P74 D75 L76 F100F57-R61 PolarHBondContact O-N 3.36Å; W59-R61 PolarHBondContact O-N 2.72Å; R61-K63 VanDerWaalsContact C-N 3.31Å; R61-K63 PolarHBondContact O-N 2.77Å; R61-L64 PolarHBondContact O-N 3.11Å; R61-Q65 VanDerWaalsContact O-CB 3.26Å; R61-Q65 WeakPolarHBondContact O-CB 3.41Å; R61-Q65 PolarHBondContact O-N 2.83Å; R61-V73 HydrophobicContact CG-CG1 4.02Å; R61-P74 WeakPolarHBondContact CD-O 3.38Å; R61-P74 PolarHBondContact NE-O 3.02Å; R61-P74 VanDerWaalsContact NE-O 3.15Å; R61-D75 IonicContact CZ-OD1 2.97Å; R61-D75 IonicContact NE-OD1 2.59Å; R61-D75 IonicContact NH2-OD1 3.11Å; R61-D75 PolarHBondContact NH2-OD1 2.7Å; R61-L76 HydrophobicContact CB-CD1 3.77Å; R61-L76 HydrophobicContact CB-CG 4.25Å; R61-L76 HydrophobicContact CG-CD1 4.44Å; R61-F100 HydrophobicContact CB-CE2 3.99Å; R61-F100 HydrophobicContact CB-CZ 4.03Å; R61-F100 HydrophobicContact CG-CE2 4.17Å
62K96.5Very high95Very high137 Ų13762.1 Ų62.160%0.59632%0.32SS*.Hα-helixtrans-61.2-39.7177.4-73.7174.7179.5-176.20111.9E58 W59 L60 K66E58-K62 VanDerWaalsContact O-CG 3.32Å; E58-K62 WeakPolarHBondContact O-CG 3.43Å; E58-K62 PolarHBondContact O-N 3.07Å; E58-K62 VanDerWaalsContact O-N 3.09Å; W59-K62 PolarHBondContact O-N 3.13Å; L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 3.5Å; K62-K66 PolarHBondContact O-N 3.28Å; K62-K66 VanDerWaalsContact O-N 3.12Å
63K96.6Very high94.8Very high52 Ų5262.8 Ų62.823%0.22633%0.325CS..Hα-helixtrans-69.7-48.2177.9-66.9-55.1177.8-178.50112.2W59 L60 R61 Q65 K66 N67W59-K63 HydrophobicContact CD2-CG 4.11Å; W59-K63 HydrophobicContact CH2-CG 4.34Å; W59-K63 HydrophobicContact CZ2-CD 4.5Å; W59-K63 HydrophobicContact CZ2-CG 3.76Å; W59-K63 VanDerWaalsContact NE1-CE 3.26Å; W59-K63 WeakPolarHBondContact O-CG 3.31Å; W59-K63 PolarHBondContact O-N 2.84Å; L60-K63 PolarHBondContact O-N 2.67Å; L60-K63 VanDerWaalsContact O-N 3.12Å; R61-K63 VanDerWaalsContact C-N 3.31Å; R61-K63 PolarHBondContact O-N 2.77Å; K63-Q65 VanDerWaalsContact C-N 3.26Å; K63-Q65 PolarHBondContact O-N 3.06Å; K63-K66 WeakPolarHBondContact O-CB 3.41Å; K63-K66 PolarHBondContact O-N 2.97Å; K63-K66 VanDerWaalsContact O-N 3.09Å; K63-N67 PolarHBondContact O-N 3.15Å
64L96.4Very high94.6Very high2 Ų258.6 Ų58.61%0.0131%0.311CS..Hα-helixtrans-56.7-42.9174-70.7176.5000111.1L60 R61 K66 N67 A68 V73 F100 V104 C110 D113 L116L60-L64 HydrophobicContact CD1-CD1 4.11Å; L60-L64 HydrophobicContact CD1-CG 4.07Å; L60-L64 HydrophobicContact CD2-CD1 4.46Å; L60-L64 HydrophobicContact CG-CD1 3.91Å; L60-L64 HydrophobicContact CG-CG 4.27Å; L60-L64 WeakPolarHBondContact O-CB 3.48Å; L60-L64 WeakPolarHBondContact O-CG 3.13Å; L60-L64 PolarHBondContact O-N 3.21Å; R61-L64 PolarHBondContact O-N 3.11Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.35Å; L64-N67 PolarHBondContact O-N 3.37Å; L64-A68 WeakPolarHBondContact O-CB 3.23Å; L64-A68 PolarHBondContact O-N 3.49Å; L64-V73 HydrophobicContact CB-CG1 4.07Å; L64-V73 HydrophobicContact CB-CG2 4.07Å; L64-F100 HydrophobicContact CD1-CZ 4.4Å; L64-V104 HydrophobicContact CD1-CG1 3.74Å; L64-V104 HydrophobicContact CD1-CG2 4.14Å; L64-C110 HydrophobicContact CD2-CB 4.1Å; L64-D113 HydrophobicContact CD2-CB 3.87Å; L64-L116 HydrophobicContact CD2-CB 4.36Å
65Q95.4Very high94.5Very high105 Ų10563.2 Ų63.249%0.49134%0.337SS..Hα-helixtrans-64.8-35.6179.1-173.7174.53.500112.4R61 K63 N67 V73R61-Q65 VanDerWaalsContact O-CB 3.26Å; R61-Q65 WeakPolarHBondContact O-CB 3.41Å; R61-Q65 PolarHBondContact O-N 2.83Å; K63-Q65 VanDerWaalsContact C-N 3.26Å; K63-Q65 PolarHBondContact O-N 3.06Å; Q65-N67 VanDerWaalsContact C-N 3.34Å; Q65-V73 HydrophobicContact CB-CB 4.4Å; Q65-V73 HydrophobicContact CB-CG2 4.17Å
66K94.5Very high94.4Very high165 Ų16562 Ų6272%0.71733%0.327SS*.Hα-helixtrans-67-37.2174.8-173-179.3177.3-177.30111.8K62 K63 L64K62-K66 PolarHBondContact O-N 3.28Å; K62-K66 VanDerWaalsContact O-N 3.12Å; K63-K66 WeakPolarHBondContact O-CB 3.41Å; K63-K66 PolarHBondContact O-N 2.97Å; K63-K66 VanDerWaalsContact O-N 3.09Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.35Å
67N92.5Very high94Very high86 Ų8662 Ų6246%0.4633%0.329SS..Hα-helixtrans-91.5-22.3-172.8-61-13.4000113.1K63 L64 Q65 G69 D113K63-N67 PolarHBondContact O-N 3.15Å; L64-N67 PolarHBondContact O-N 3.37Å; Q65-N67 VanDerWaalsContact C-N 3.34Å; N67-G69 VanDerWaalsContact C-N 3.29Å; N67-G69 PolarHBondContact O-N 3Å; N67-D113 PolarHBondContact ND2-OD2 2.76Å
68A89.2Confident93.1Very high7 Ų765 Ų656%0.05836%0.359CS..SBendtrans-79.1-4.2-175.700000114.8L64 L70 V71 V73 V109L64-A68 WeakPolarHBondContact O-CB 3.23Å; L64-A68 PolarHBondContact O-N 3.49Å; A68-L70 PolarHBondContact O-N 3.23Å; A68-L70 VanDerWaalsContact O-N 3.17Å; A68-V71 HydrophobicContact CB-CB 4.35Å; A68-V71 PolarHBondContact O-N 3.26Å; A68-V71 VanDerWaalsContact O-N 3.13Å; A68-V73 HydrophobicContact CB-CG2 3.88Å; A68-V109 HydrophobicContact CB-CG1 4.16Å
69G89.4Confident92.1Very high63 Ų6368.5 Ų68.565%0.64937%0.374SS*.THydrogen-bonded Turntrans62.9-113.8179.400000112.2N67N67-G69 VanDerWaalsContact C-N 3.29Å; N67-G69 PolarHBondContact O-N 3Å
70L89.7Confident90.7Very high180 Ų18069.1 Ų69.194%0.94238%0.384SS*.THydrogen-bonded Turntrans-92.2-5.5-179.9-62178.7000113.7A68A68-L70 PolarHBondContact O-N 3.23Å; A68-L70 VanDerWaalsContact O-N 3.17Å
71V90.6Very high88.9Confident59 Ų5977.3 Ų77.336%0.35842%0.42SS..SBendtrans-76.6123.1-179.5179.70000109.2A68 V73 T107 V109A68-V71 HydrophobicContact CB-CB 4.35Å; A68-V71 PolarHBondContact O-N 3.26Å; A68-V71 VanDerWaalsContact O-N 3.13Å; V71-V73 PolarHBondContact O-N 3.25Å; V71-T107 HydrophobicContact CG1-CG2 3.9Å; V71-V109 HydrophobicContact CG2-CG2 4.07Å
72P89.5Confident87Confident113 Ų11382.5 Ų82.573%0.73444%0.444SS*.PPolyproline II helixtrans-67.9123.5-178.826.8-33.3000110.4
73V93.8Very high85.1Confident15 Ų1583.7 Ų83.79%0.09145%0.45CS..PPolyproline II helixtrans-82.9133.1173.91780000109.2R61 L64 Q65 A68 V71 F100R61-V73 HydrophobicContact CG-CG1 4.02Å; L64-V73 HydrophobicContact CB-CG1 4.07Å; L64-V73 HydrophobicContact CB-CG2 4.07Å; Q65-V73 HydrophobicContact CB-CB 4.4Å; Q65-V73 HydrophobicContact CB-CG2 4.17Å; A68-V73 HydrophobicContact CB-CG2 3.88Å; V71-V73 PolarHBondContact O-N 3.25Å; V73-F100 HydrophobicContact CG1-CE2 4.28Å
74P93.8Very high83.2Confident18 Ų1887.1 Ų87.112%0.11747%0.465CS..PPolyproline II helixtrans-52.1144.6178.8-27.234.6000113.4R61 F100 K103 V104R61-P74 WeakPolarHBondContact CD-O 3.38Å; R61-P74 PolarHBondContact NE-O 3.02Å; R61-P74 VanDerWaalsContact NE-O 3.15Å; P74-F100 HydrophobicContact CB-CD2 3.96Å; P74-F100 HydrophobicContact CB-CE2 4.49Å; P74-F100 WeakPolarHBondContact O-CD2 3.41Å; P74-F100 WeakPolarHBondContact O-CE2 3.33Å; P74-K103 HydrophobicContact CB-CB 3.97Å; P74-K103 HydrophobicContact CB-CD 3.95Å; P74-K103 HydrophobicContact CG-CB 3.34Å; P74-K103 HydrophobicContact CG-CD 4.03Å; P74-K103 HydrophobicContact CG-CG 4.34Å; P74-V104 HydrophobicContact CG-CG2 4.06Å
75D93.4Very high81.2Confident119 Ų11994 Ų9464%0.63650%0.502SS*.PPolyproline II helixtrans-74.7147.3176.5-65.2-38000112.1R61R61-D75 IonicContact CZ-OD1 2.97Å; R61-D75 IonicContact NE-OD1 2.59Å; R61-D75 IonicContact NH2-OD1 3.11Å; R61-D75 PolarHBondContact NH2-OD1 2.7Å
76L94.3Very high80.2Confident27 Ų2792.9 Ų92.914%0.14150%0.499CS..PPolyproline II helixtrans-84.2154.3170.6-73.9168.5000110.2F57 E58 R61 G78 L97 F100F57-L76 HydrophobicContact CB-CD1 4.21Å; F57-L76 HydrophobicContact CB-CD2 3.92Å; F57-L76 WeakPolarHBondContact O-CD1 3.39Å; E58-L76 VanDerWaalsContact CA-CD1 3.5Å; E58-L76 HydrophobicContact CB-CD1 4.29Å; E58-L76 HydrophobicContact CG-CD1 4.03Å; R61-L76 HydrophobicContact CB-CD1 3.77Å; R61-L76 HydrophobicContact CB-CG 4.25Å; R61-L76 HydrophobicContact CG-CD1 4.44Å; L76-G78 PolarHBondContact O-N 2.79Å; L76-L97 HydrophobicContact CD2-CD2 3.81Å; L76-F100 HydrophobicContact CD2-CB 4.05Å; L76-F100 HydrophobicContact CD2-CD1 3.74Å; L76-F100 HydrophobicContact CD2-CD2 3.66Å; L76-F100 HydrophobicContact CD2-CE1 4.08Å; L76-F100 HydrophobicContact CD2-CE2 4.02Å; L76-F100 HydrophobicContact CD2-CG 3.52Å; L76-F100 HydrophobicContact CD2-CZ 4.21Å; L76-F100 HydrophobicContact CG-CD2 4.08Å; L76-F100 HydrophobicContact CG-CE2 4.23Å; L76-F100 HydrophobicContact CG-CG 4.42Å
77P88.6Confident79.7Confident24 Ų2491.6 Ų91.616%0.15650%0.496CS..PPolyproline II helixtrans-57135.9170.323.6-31.4000109.7Y54 R93 L97Y54-P77 HydrophobicContact CE2-CG 4.1Å; Y54-P77 PolarHBondContact OH-O 3.28Å; P77-R93 HydrophobicContact CG-CG 4.22Å; P77-L97 HydrophobicContact CG-CD2 4.18Å; P77-L97 HydrophobicContact CG-CG 4.27Å
78G79.9Confident79.4Confident62 Ų6293.1 Ų93.164%0.63950%0.504SS*.PPolyproline II helixtrans-52.7145.4-174.400000113.7L76 S80L76-G78 PolarHBondContact O-N 2.79Å; G78-S80 PolarHBondContact O-N 3.35Å
79K76.2Confident79.4Confident109 Ų10994.5 Ų94.547%0.47451%0.508SS..  trans-61.6107.9169-67.3-179.2176.7-168.90108.4Y54 E58 F81Y54-K79 HydrophobicContact CE1-CG 4.09Å; E58-K79 WeakPolarHBondContact OE1-CE 3.47Å; E58-K79 WeakPolarHBondContact OE1-CG 3.26Å; E58-K79 IonicContact OE1-NZ 3.5Å; E58-K79 WeakPolarHBondContact OE2-CE 3.34Å; E58-K79 IonicContact OE2-NZ 2.81Å; E58-K79 PolarHBondContact OE2-NZ 3.44Å; K79-F81 HydrophobicContact CB-CE2 4.4Å; K79-F81 HydrophobicContact CB-CZ 4.41Å; K79-F81 WeakPolarHBondContact O-CD2 3.07Å; K79-F81 WeakPolarHBondContact O-CE2 3.48Å; K79-F81 PolarHBondContact O-N 2.89Å
80S69.5Low79.4Confident48 Ų4892.2 Ų92.234%0.33648%0.481SS..  trans-74.2127.2165.5-176.20000108.8G78 F82G78-S80 PolarHBondContact O-N 3.35Å; S80-F82 VanDerWaalsContact C-N 3.3Å; S80-F82 PolarHBondContact OG-N 2.91Å; S80-F82 VanDerWaalsContact OG-N 3.16Å; S80-F82 PolarHBondContact OG-O 3.48Å
81F60.5Low79.5Confident171 Ų17186.4 Ų86.475%0.7545%0.449SS*.  trans-86.4-4.1170.7-61.4-85.7000112K79K79-F81 HydrophobicContact CB-CE2 4.4Å; K79-F81 HydrophobicContact CB-CZ 4.41Å; K79-F81 WeakPolarHBondContact O-CD2 3.07Å; K79-F81 WeakPolarHBondContact O-CE2 3.48Å; K79-F81 PolarHBondContact O-N 2.89Å
82F56.5Low79.6Confident170 Ų17091 Ų9175%0.74647%0.465SS*.SBendtrans-106.8131.9179.6-59.4-78000110.9S80S80-F82 VanDerWaalsContact C-N 3.3Å; S80-F82 PolarHBondContact OG-N 2.91Å; S80-F82 VanDerWaalsContact OG-N 3.16Å; S80-F82 PolarHBondContact OG-O 3.48Å
83F55.9Low79.8Confident163 Ų16386.9 Ų86.972%0.71543%0.434SS*.  trans-63.1127.5-154.5-68.4-94.7000117.2N85F83-N85 VanDerWaalsContact C-N 3.31Å; F83-N85 PolarHBondContact O-N 3.07Å
84F57.3Low79.9Confident123 Ų12388.3 Ų88.354%0.53944%0.438SS..SBend39.7-2.4124.1-71.1-78.6000125.3
85N55Low80.1Confident148 Ų14894.5 Ų94.579%0.79146%0.459SS*.  trans-137.918.6-178.4-141.964.3000115.4F83F83-N85 VanDerWaalsContact C-N 3.31Å; F83-N85 PolarHBondContact O-N 3.07Å
86N73.4Confident80.2Confident81 Ų8189.8 Ų89.843%0.43344%0.438SS..  trans-99.1114.6170.6-162.4-19.2000109.2D88 F89 L90N86-D88 PolarHBondContact O-N 3.49Å; N86-D88 VanDerWaalsContact OD1-CB 3.25Å; N86-D88 WeakPolarHBondContact OD1-CB 3.5Å; N86-D88 PolarHBondContact OD1-N 2.78Å; N86-D88 PolarHBondContact OD1-OD2 3.25Å; N86-F89 HydrophobicContact CB-CB 4.01Å; N86-F89 WeakPolarHBondContact O-CA 3.47Å; N86-F89 VanDerWaalsContact O-CB 3.29Å; N86-F89 WeakPolarHBondContact O-CB 3.38Å; N86-F89 PolarHBondContact O-N 2.98Å; N86-L90 PolarHBondContact O-N 3.25Å; N86-L90 VanDerWaalsContact O-N 3.15Å
87E83.8Confident80.4Confident138 Ų13888.5 Ų88.565%0.64543%0.432SS*.Hα-helixtrans-50.8-37.1170.3-72.5-62138.400111F89 L90 E91E87-F89 VanDerWaalsContact C-N 3.25Å; E87-F89 PolarHBondContact O-N 2.82Å; E87-L90 PolarHBondContact O-N 3.24Å; E87-E91 WeakPolarHBondContact O-CB 3.27Å; E87-E91 PolarHBondContact O-N 3.16Å
88D86.6Confident80.9Confident117 Ų11789.4 Ų89.463%0.62643%0.434SS*.Hα-helixtrans-61.6-35.9175.9-62.4-29.7000112.1N86 K92N86-D88 PolarHBondContact O-N 3.49Å; N86-D88 VanDerWaalsContact OD1-CB 3.25Å; N86-D88 WeakPolarHBondContact OD1-CB 3.5Å; N86-D88 PolarHBondContact OD1-N 2.78Å; N86-D88 PolarHBondContact OD1-OD2 3.25Å; D88-K92 WeakPolarHBondContact O-CB 3.37Å; D88-K92 PolarHBondContact O-N 3.32Å
89F88.6Confident81.7Confident36 Ų3690 Ų9016%0.15843%0.425CS..Hα-helixtrans-70.9-45.4178.6172.8-110000111.4N86 E87 E91 K92 R93N86-F89 HydrophobicContact CB-CB 4.01Å; N86-F89 WeakPolarHBondContact O-CA 3.47Å; N86-F89 VanDerWaalsContact O-CB 3.29Å; N86-F89 WeakPolarHBondContact O-CB 3.38Å; N86-F89 PolarHBondContact O-N 2.98Å; E87-F89 VanDerWaalsContact C-N 3.25Å; E87-F89 PolarHBondContact O-N 2.82Å; F89-E91 VanDerWaalsContact C-N 3.33Å; F89-K92 PolarHBondContact O-N 2.96Å; F89-R93 VanDerWaalsContact CE1-NH1 3.32Å; F89-R93 VanDerWaalsContact CZ-NH2 3.3Å; F89-R93 VanDerWaalsContact O-CB 3.32Å; F89-R93 WeakPolarHBondContact O-CB 3.39Å; F89-R93 PolarHBondContact O-N 2.84Å
90L90.4Very high82.8Confident15 Ų1584.9 Ų84.98%0.07940%0.403CS..Hα-helixtrans-62.8-42.1176.6-66.7-176.8000111.1V30 N86 E87 R93 R94V30-L90 HydrophobicContact CB-CD2 4.45Å; V30-L90 HydrophobicContact CG1-CD2 4.05Å; V30-L90 HydrophobicContact CG2-CD2 4.25Å; N86-L90 PolarHBondContact O-N 3.25Å; N86-L90 VanDerWaalsContact O-N 3.15Å; E87-L90 PolarHBondContact O-N 3.24Å; L90-R93 PolarHBondContact O-N 3.31Å; L90-R94 WeakPolarHBondContact O-CB 3.33Å; L90-R94 PolarHBondContact O-N 2.78Å
91E92.2Very high84.2Confident58 Ų5882.6 Ų82.627%0.27139%0.387SS..Hα-helixtrans-67.8-42.9177.317854.7-159.800112E87 F89 R93 R94 R95E87-E91 WeakPolarHBondContact O-CB 3.27Å; E87-E91 PolarHBondContact O-N 3.16Å; F89-E91 VanDerWaalsContact C-N 3.33Å; E91-R93 VanDerWaalsContact C-N 3.31Å; E91-R93 PolarHBondContact O-N 3.38Å; E91-R94 PolarHBondContact O-N 3.27Å; E91-R94 IonicContact OE1-CZ 3.28Å; E91-R94 IonicContact OE1-NE 2.73Å; E91-R94 PolarHBondContact OE1-NE 3.5Å; E91-R94 IonicContact OE1-NH2 3.01Å; E91-R94 PolarHBondContact OE1-NH2 2.97Å; E91-R94 IonicContact OE2-CZ 3Å; E91-R94 IonicContact OE2-NE 3.5Å; E91-R94 PolarHBondContact OE2-NE 2.78Å; E91-R94 IonicContact OE2-NH2 2.76Å; E91-R95 WeakPolarHBondContact O-CB 3.21Å; E91-R95 WeakPolarHBondContact O-CG 3.18Å; E91-R95 PolarHBondContact O-N 2.99Å; E91-R95 WeakPolarHBondContact OE1-CG 3.47Å; E91-R95 IonicContact OE1-CZ 2.78Å; E91-R95 IonicContact OE1-NE 3.4Å; E91-R95 PolarHBondContact OE1-NE 3.09Å; E91-R95 IonicContact OE1-NH2 3.53Å; E91-R95 PolarHBondContact OE1-NH2 2.98Å
92K92.4Very high85.9Confident157 Ų15778 Ų7868%0.68337%0.37SS*.Hα-helixtrans-59.9-42.8174.2-177.1175.9-178176.40111.3D88 F89 G96D88-K92 WeakPolarHBondContact O-CB 3.37Å; D88-K92 PolarHBondContact O-N 3.32Å; F89-K92 PolarHBondContact O-N 2.96Å; K92-G96 PolarHBondContact O-N 3.43Å
93R94.4Very high87.8Confident25 Ų2575.5 Ų75.59%0.09436%0.359CS..Hα-helixtrans-64.9-47.6175.6-179.5179.2-89.4167.3-9.4110.9Y32 Y54 P77 F89 L90 E91 R95 G96 L97Y32-R93 WeakPolarHBondContact OH-CD 3.45Å; Y54-R93 HydrophobicContact CD2-CG 4.03Å; P77-R93 HydrophobicContact CG-CG 4.22Å; F89-R93 VanDerWaalsContact CE1-NH1 3.32Å; F89-R93 VanDerWaalsContact CZ-NH2 3.3Å; F89-R93 VanDerWaalsContact O-CB 3.32Å; F89-R93 WeakPolarHBondContact O-CB 3.39Å; F89-R93 PolarHBondContact O-N 2.84Å; L90-R93 PolarHBondContact O-N 3.31Å; E91-R93 VanDerWaalsContact C-N 3.31Å; E91-R93 PolarHBondContact O-N 3.38Å; R93-R95 VanDerWaalsContact C-N 3.33Å; R93-R95 PolarHBondContact O-N 3.19Å; R93-G96 PolarHBondContact O-N 3.12Å; R93-G96 VanDerWaalsContact O-N 3.1Å; R93-L97 HydrophobicContact CG-CD1 4.23Å; R93-L97 HydrophobicContact CG-CG 4.37Å; R93-L97 WeakPolarHBondContact O-CG 3.5Å; R93-L97 PolarHBondContact O-N 3.37Å
94R96Very high89.8Confident45 Ų4567.8 Ų67.817%0.1733%0.325CS..Hα-helixtrans-55.3-46.3176.3-171.9-152.764.573.4-0.6111.4V15 Y32 L90 E91 L97 Q98V15-R94 HydrophobicContact CB-CG 4.38Å; V15-R94 HydrophobicContact CG1-CG 3.93Å; V15-R94 VanDerWaalsContact O-CD 3.31Å; V15-R94 WeakPolarHBondContact O-CD 3.34Å; V15-R94 WeakPolarHBondContact O-CG 3.43Å; V15-R94 PolarHBondContact O-NH1 3.42Å; Y32-R94 HydrophobicContact CD1-CB 4.08Å; Y32-R94 HydrophobicContact CD1-CG 4.09Å; Y32-R94 HydrophobicContact CE1-CB 3.94Å; Y32-R94 HydrophobicContact CE1-CG 4.45Å; L90-R94 WeakPolarHBondContact O-CB 3.33Å; L90-R94 PolarHBondContact O-N 2.78Å; E91-R94 PolarHBondContact O-N 3.27Å; E91-R94 IonicContact OE1-CZ 3.28Å; E91-R94 IonicContact OE1-NE 2.73Å; E91-R94 PolarHBondContact OE1-NE 3.5Å; E91-R94 IonicContact OE1-NH2 3.01Å; E91-R94 PolarHBondContact OE1-NH2 2.97Å; E91-R94 IonicContact OE2-CZ 3Å; E91-R94 IonicContact OE2-NE 3.5Å; E91-R94 PolarHBondContact OE2-NE 2.78Å; E91-R94 IonicContact OE2-NH2 2.76Å; R94-L97 PolarHBondContact O-N 2.96Å; R94-Q98 WeakPolarHBondContact O-CB 3.36Å; R94-Q98 PolarHBondContact O-N 2.79Å
95R96.4Very high91.7Very high149 Ų14962 Ų6256%0.56230%0.3SS*.Hα-helixtrans-60.6-43.7174.4-71.9178.5-172.5-163.23.5112.4E91 R93 Q98 V99E91-R95 WeakPolarHBondContact O-CB 3.21Å; E91-R95 WeakPolarHBondContact O-CG 3.18Å; E91-R95 PolarHBondContact O-N 2.99Å; E91-R95 WeakPolarHBondContact OE1-CG 3.47Å; E91-R95 IonicContact OE1-CZ 2.78Å; E91-R95 IonicContact OE1-NE 3.4Å; E91-R95 PolarHBondContact OE1-NE 3.09Å; E91-R95 IonicContact OE1-NH2 3.53Å; E91-R95 PolarHBondContact OE1-NH2 2.98Å; R93-R95 VanDerWaalsContact C-N 3.33Å; R93-R95 PolarHBondContact O-N 3.19Å; R95-Q98 WeakPolarHBondContact O-CB 3.16Å; R95-Q98 PolarHBondContact O-N 3.35Å; R95-V99 WeakPolarHBondContact O-CG2 3.33Å; R95-V99 PolarHBondContact O-N 3.17Å
96G97Very high93.6Very high19 Ų1960.7 Ų60.720%0.19629%0.289CS..Hα-helixtrans-63.3-41176.100000112.8K92 R93 V99 F100K92-G96 PolarHBondContact O-N 3.43Å; R93-G96 PolarHBondContact O-N 3.12Å; R93-G96 VanDerWaalsContact O-N 3.1Å; G96-V99 PolarHBondContact O-N 3.35Å; G96-F100 WeakPolarHBondContact O-CB 3.48Å; G96-F100 PolarHBondContact O-N 3Å
97L98.1Very high94.6Very high0 Ų058.4 Ų58.40%028%0.278CS..Hα-helixtrans-65-38.9174.7-66.6179.6000111.8V15 Y32 Y54 F57 L76 P77 R93 R94 F100 L101V15-L97 HydrophobicContact CG1-CB 4.09Å; V15-L97 HydrophobicContact CG2-CB 4.36Å; Y32-L97 HydrophobicContact CD1-CD1 4.24Å; Y32-L97 HydrophobicContact CD2-CD1 3.6Å; Y32-L97 HydrophobicContact CE1-CD1 4.34Å; Y32-L97 HydrophobicContact CE2-CD1 3.78Å; Y32-L97 HydrophobicContact CG-CD1 3.9Å; Y54-L97 HydrophobicContact CD2-CD2 4.09Å; Y54-L97 HydrophobicContact CE2-CD2 4.43Å; F57-L97 HydrophobicContact CB-CD2 4.01Å; F57-L97 HydrophobicContact CD1-CD2 3.74Å; F57-L97 HydrophobicContact CD2-CD1 4.17Å; F57-L97 HydrophobicContact CD2-CD2 3.99Å; F57-L97 HydrophobicContact CE1-CB 4.37Å; F57-L97 HydrophobicContact CE1-CD2 4.08Å; F57-L97 HydrophobicContact CE2-CD1 3.92Å; F57-L97 HydrophobicContact CE2-CD2 4.34Å; F57-L97 HydrophobicContact CG-CD2 3.66Å; F57-L97 HydrophobicContact CZ-CB 4.45Å; F57-L97 HydrophobicContact CZ-CD1 4.15Å; F57-L97 HydrophobicContact CZ-CD2 4.36Å; L76-L97 HydrophobicContact CD2-CD2 3.81Å; P77-L97 HydrophobicContact CG-CD2 4.18Å; P77-L97 HydrophobicContact CG-CG 4.27Å; R93-L97 HydrophobicContact CG-CD1 4.23Å; R93-L97 HydrophobicContact CG-CG 4.37Å; R93-L97 WeakPolarHBondContact O-CG 3.5Å; R93-L97 PolarHBondContact O-N 3.37Å; R94-L97 PolarHBondContact O-N 2.96Å; L97-F100 PolarHBondContact O-N 2.79Å; L97-L101 PolarHBondContact O-N 3.4Å
98Q98.3Very high95.1Very high44 Ų4457.2 Ų57.221%0.20628%0.28CS..Hα-helixtrans-58.4-52172.7176.166.854.900111.3V13 R14 V15 R94 R95 F100 L101 D102V13-Q98 PolarHBondContact O-NE2 3.13Å; R14-Q98 VanDerWaalsContact CA-OE1 3.23Å; V15-Q98 HydrophobicContact CB-CB 4.33Å; V15-Q98 HydrophobicContact CG2-CB 4.39Å; R94-Q98 WeakPolarHBondContact O-CB 3.36Å; R94-Q98 PolarHBondContact O-N 2.79Å; R95-Q98 WeakPolarHBondContact O-CB 3.16Å; R95-Q98 PolarHBondContact O-N 3.35Å; Q98-F100 VanDerWaalsContact C-N 3.31Å; Q98-F100 PolarHBondContact O-N 3.11Å; Q98-L101 PolarHBondContact O-N 3.09Å; Q98-D102 VanDerWaalsContact O-CB 3.29Å; Q98-D102 WeakPolarHBondContact O-CB 3.5Å; Q98-D102 PolarHBondContact O-N 3.28Å
99V97.9Very high95.5Very high75 Ų7554.1 Ų54.146%0.45527%0.265SS..Hα-helixtrans-63.3-38.5179.8172.30000111.4R95 G96 K103R95-V99 WeakPolarHBondContact O-CG2 3.33Å; R95-V99 PolarHBondContact O-N 3.17Å; G96-V99 PolarHBondContact O-N 3.35Å; V99-K103 HydrophobicContact CG1-CD 4.24Å; V99-K103 WeakPolarHBondContact O-CG 3.48Å; V99-K103 PolarHBondContact O-N 2.74Å; V99-K103 VanDerWaalsContact O-N 3.11Å
100F98.2Very high95.9Very high1 Ų152.5 Ų52.50%0.00426%0.258CS..Hα-helixtrans-59.5-53.9174.9168.4-96.5000111.3F57 L60 R61 L64 V73 P74 L76 G96 L97 Q98 D102 K103 V104F57-F100 HydrophobicContact CD1-CD1 4.08Å; F57-F100 HydrophobicContact CD1-CE1 4.11Å; L60-F100 HydrophobicContact CD2-CE1 4.21Å; R61-F100 HydrophobicContact CB-CE2 3.99Å; R61-F100 HydrophobicContact CB-CZ 4.03Å; R61-F100 HydrophobicContact CG-CE2 4.17Å; L64-F100 HydrophobicContact CD1-CZ 4.4Å; V73-F100 HydrophobicContact CG1-CE2 4.28Å; P74-F100 HydrophobicContact CB-CD2 3.96Å; P74-F100 HydrophobicContact CB-CE2 4.49Å; P74-F100 WeakPolarHBondContact O-CD2 3.41Å; P74-F100 WeakPolarHBondContact O-CE2 3.33Å; L76-F100 HydrophobicContact CD2-CB 4.05Å; L76-F100 HydrophobicContact CD2-CD1 3.74Å; L76-F100 HydrophobicContact CD2-CD2 3.66Å; L76-F100 HydrophobicContact CD2-CE1 4.08Å; L76-F100 HydrophobicContact CD2-CE2 4.02Å; L76-F100 HydrophobicContact CD2-CG 3.52Å; L76-F100 HydrophobicContact CD2-CZ 4.21Å; L76-F100 HydrophobicContact CG-CD2 4.08Å; L76-F100 HydrophobicContact CG-CE2 4.23Å; L76-F100 HydrophobicContact CG-CG 4.42Å; G96-F100 WeakPolarHBondContact O-CB 3.48Å; G96-F100 PolarHBondContact O-N 3Å; L97-F100 PolarHBondContact O-N 2.79Å; Q98-F100 VanDerWaalsContact C-N 3.31Å; Q98-F100 PolarHBondContact O-N 3.11Å; F100-D102 PolarHBondContact O-N 3.4Å; F100-K103 PolarHBondContact O-N 2.88Å; F100-V104 HydrophobicContact CD1-CG2 4.42Å; F100-V104 HydrophobicContact CD2-CG2 4.18Å; F100-V104 HydrophobicContact CE1-CG2 4.05Å; F100-V104 HydrophobicContact CE2-CG2 3.78Å; F100-V104 HydrophobicContact CG-CG2 4.48Å; F100-V104 HydrophobicContact CZ-CG2 3.71Å; F100-V104 WeakPolarHBondContact O-CB 3.48Å; F100-V104 VanDerWaalsContact O-CG2 3.27Å; F100-V104 WeakPolarHBondContact O-CG2 3.48Å; F100-V104 PolarHBondContact O-N 3.39Å
101L98.3Very high96.1Very high0 Ų053.1 Ų53.10%026%0.261CS..Hα-helixtrans-64.2-41.8-179.2-72.4-175.2000111.9V13 V15 I34 F57 L97 Q98 K103 V104 V105 L120V13-L101 HydrophobicContact CG1-CB 4Å; V13-L101 HydrophobicContact CG2-CB 4.08Å; V13-L101 HydrophobicContact CG2-CD1 3.77Å; V15-L101 HydrophobicContact CG2-CD1 3.65Å; V15-L101 HydrophobicContact CG2-CG 4.48Å; I34-L101 HydrophobicContact CD1-CD1 4.14Å; I34-L101 HydrophobicContact CG1-CD1 4.39Å; I34-L101 HydrophobicContact CG2-CD1 3.84Å; F57-L101 HydrophobicContact CE1-CD1 3.9Å; F57-L101 HydrophobicContact CE1-CD2 4Å; F57-L101 HydrophobicContact CE1-CG 3.91Å; F57-L101 HydrophobicContact CZ-CD1 4.41Å; L97-L101 PolarHBondContact O-N 3.4Å; Q98-L101 PolarHBondContact O-N 3.09Å; L101-K103 VanDerWaalsContact C-N 3.31Å; L101-K103 PolarHBondContact O-N 3.38Å; L101-V104 PolarHBondContact O-N 2.97Å; L101-V104 VanDerWaalsContact O-N 3.15Å; L101-V105 WeakPolarHBondContact O-CG1 3.46Å; L101-V105 WeakPolarHBondContact O-CG2 3.24Å; L101-V105 PolarHBondContact O-N 2.76Å; L101-L120 HydrophobicContact CD1-CD2 4.1Å; L101-L120 HydrophobicContact CD2-CD2 4.07Å
102D97.5Very high96.3Very high73 Ų7355 Ų5539%0.3928%0.281SS..Hα-helixtrans-56.1-45.8177.8-17051.2000111.2Q98 F100 V105 H106Q98-D102 VanDerWaalsContact O-CB 3.29Å; Q98-D102 WeakPolarHBondContact O-CB 3.5Å; Q98-D102 PolarHBondContact O-N 3.28Å; F100-D102 PolarHBondContact O-N 3.4Å; D102-V105 WeakPolarHBondContact O-CG2 3.32Å; D102-H106 PolarHBondContact O-N 3.3Å; D102-H106 PolarHBondContact O-ND1 2.86Å; D102-H106 IonicContact OD1-CE1 3.54Å; D102-H106 IonicContact OD1-ND1 3.77Å
103K97Very high96.6Very high119 Ų11948.2 Ų48.252%0.51725%0.252SS..Hα-helixtrans-68.6-39.9175.5-69.2176.8177.7-175.30113.3P74 V99 F100 L101 H106 T107P74-K103 HydrophobicContact CB-CB 3.97Å; P74-K103 HydrophobicContact CB-CD 3.95Å; P74-K103 HydrophobicContact CG-CB 3.34Å; P74-K103 HydrophobicContact CG-CD 4.03Å; P74-K103 HydrophobicContact CG-CG 4.34Å; V99-K103 HydrophobicContact CG1-CD 4.24Å; V99-K103 WeakPolarHBondContact O-CG 3.48Å; V99-K103 PolarHBondContact O-N 2.74Å; V99-K103 VanDerWaalsContact O-N 3.11Å; F100-K103 PolarHBondContact O-N 2.88Å; L101-K103 VanDerWaalsContact C-N 3.31Å; L101-K103 PolarHBondContact O-N 3.38Å; K103-H106 PolarHBondContact O-N 2.88Å; K103-T107 PolarHBondContact O-N 2.91Å; K103-T107 PolarHBondContact O-OG1 2.98Å
104V97.4Very high96.8Very high0 Ų049 Ų490%026%0.261CS..Hα-helixtrans-64.3-44.6-179.1165.90000111.3L64 P74 F100 L101 H106 T107 C110 L116L64-V104 HydrophobicContact CD1-CG1 3.74Å; L64-V104 HydrophobicContact CD1-CG2 4.14Å; P74-V104 HydrophobicContact CG-CG2 4.06Å; F100-V104 HydrophobicContact CD1-CG2 4.42Å; F100-V104 HydrophobicContact CD2-CG2 4.18Å; F100-V104 HydrophobicContact CE1-CG2 4.05Å; F100-V104 HydrophobicContact CE2-CG2 3.78Å; F100-V104 HydrophobicContact CG-CG2 4.48Å; F100-V104 HydrophobicContact CZ-CG2 3.71Å; F100-V104 WeakPolarHBondContact O-CB 3.48Å; F100-V104 VanDerWaalsContact O-CG2 3.27Å; F100-V104 WeakPolarHBondContact O-CG2 3.48Å; F100-V104 PolarHBondContact O-N 3.39Å; L101-V104 PolarHBondContact O-N 2.97Å; L101-V104 VanDerWaalsContact O-N 3.15Å; V104-H106 PolarHBondContact O-N 3.31Å; V104-T107 PolarHBondContact O-N 3.1Å; V104-C110 HydrophobicContact CG1-CB 3.91Å; V104-L116 HydrophobicContact CG1-CD1 3.74Å; V104-L116 HydrophobicContact CG1-CD2 3.68Å; V104-L116 HydrophobicContact CG1-CG 4.38Å
105V96.8Very high96.9Very high2 Ų247.5 Ų47.51%0.01226%0.256CS..Hα-helixtrans-71.9-17-178.7-58.90000113.4V11 V13 F43 L101 D102 L111 L120V11-V105 HydrophobicContact CB-CG2 4.39Å; V11-V105 HydrophobicContact CG1-CB 3.94Å; V11-V105 HydrophobicContact CG1-CG1 4.42Å; V11-V105 HydrophobicContact CG1-CG2 3.93Å; V13-V105 HydrophobicContact CG1-CG2 4.13Å; F43-V105 HydrophobicContact CZ-CG1 4.35Å; L101-V105 WeakPolarHBondContact O-CG1 3.46Å; L101-V105 WeakPolarHBondContact O-CG2 3.24Å; L101-V105 PolarHBondContact O-N 2.76Å; D102-V105 WeakPolarHBondContact O-CG2 3.32Å; V105-L111 HydrophobicContact CB-CD2 4.4Å; V105-L111 VanDerWaalsContact O-CD1 3.29Å; V105-L111 WeakPolarHBondContact O-CD1 3.47Å; V105-L111 WeakPolarHBondContact O-CD2 3.45Å; V105-L111 WeakPolarHBondContact O-CG 3.43Å; V105-L120 HydrophobicContact CG1-CD1 4.12Å
106H94.3Very high97Very high121 Ų12140.4 Ų40.456%0.5623%0.23SC*.THydrogen-bonded Turntrans-92.5-2.3171.6-68.493.2000113D102 K103 V104D102-H106 PolarHBondContact O-N 3.3Å; D102-H106 PolarHBondContact O-ND1 2.86Å; D102-H106 IonicContact OD1-CE1 3.54Å; D102-H106 IonicContact OD1-ND1 3.77Å; K103-H106 PolarHBondContact O-N 2.88Å; V104-H106 PolarHBondContact O-N 3.31Å
107T94.8Very high97.1Very high33 Ų3340.4 Ų40.420%0.20222%0.224CC..  trans-95.5108.8176.6-57.40000109.9V71 K103 V104 V109 C110 L111V71-T107 HydrophobicContact CG1-CG2 3.9Å; K103-T107 PolarHBondContact O-N 2.91Å; K103-T107 PolarHBondContact O-OG1 2.98Å; V104-T107 PolarHBondContact O-N 3.1Å; T107-V109 VanDerWaalsContact C-N 3.29Å; T107-V109 PolarHBondContact O-N 2.75Å; T107-C110 HydrophobicContact CG2-CB 4.32Å; T107-C110 WeakPolarHBondContact O-CB 3.26Å; T107-C110 PolarHBondContact O-N 3.4Å; T107-L111 PolarHBondContact O-N 2.98Å
108T94.2Very high97.1Very high112 Ų11240.4 Ų40.469%0.68722%0.224SC*.Hα-helixtrans-56.5-38.7-174.453.20000113.8C110 L111 S112T108-C110 VanDerWaalsContact C-N 3.35Å; T108-C110 PolarHBondContact O-N 2.76Å; T108-L111 PolarHBondContact O-N 3.41Å; T108-S112 PolarHBondContact O-N 2.74Å
109V95.6Very high97.1Very high52 Ų5238.3 Ų38.332%0.31521%0.214SC..Hα-helixtrans-63.8-41.1176.9-1800000111A68 V71 T107 S112A68-V109 HydrophobicContact CB-CG1 4.16Å; V71-V109 HydrophobicContact CG2-CG2 4.07Å; T107-V109 VanDerWaalsContact C-N 3.29Å; T107-V109 PolarHBondContact O-N 2.75Å; V109-S112 PolarHBondContact O-N 2.97Å; V109-S112 PolarHBondContact O-OG 2.8Å
110C96.3Very high97.1Very high2 Ų234.7 Ų34.71%0.01419%0.193CC..Hα-helixtrans-67.7-36.4175.6-61.20000112.1L64 V104 T107 T108 S112 D113 L116L64-C110 HydrophobicContact CD2-CB 4.1Å; V104-C110 HydrophobicContact CG1-CB 3.91Å; T107-C110 HydrophobicContact CG2-CB 4.32Å; T107-C110 WeakPolarHBondContact O-CB 3.26Å; T107-C110 PolarHBondContact O-N 3.4Å; T108-C110 VanDerWaalsContact C-N 3.35Å; T108-C110 PolarHBondContact O-N 2.76Å; C110-S112 PolarHBondContact O-N 2.88Å; C110-D113 VanDerWaalsContact O-CB 3.32Å; C110-D113 WeakPolarHBondContact O-CB 3.36Å; C110-D113 PolarHBondContact O-N 2.81Å; C110-D113 VanDerWaalsContact O-N 3.07Å; C110-L116 HydrophobicContact CB-CD2 4.35Å; C110-L116 VanDerWaalsContact O-CD2 3.31Å; C110-L116 WeakPolarHBondContact O-CD2 3.32Å
111L96.2Very high97.2Very high28 Ų2834.7 Ų34.715%0.14719%0.193CC..Hα-helixtrans-64.1-20.5175.7-73.5-178.3000113.7A42 F43 V105 T107 T108 D113 L116 H117A42-L111 HydrophobicContact CB-CD1 4.39Å; F43-L111 HydrophobicContact CE1-CD2 4.41Å; F43-L111 HydrophobicContact CE2-CD2 3.73Å; F43-L111 HydrophobicContact CZ-CD2 3.46Å; F43-L111 VanDerWaalsContact CZ-CD2 3.46Å; V105-L111 HydrophobicContact CB-CD2 4.4Å; V105-L111 VanDerWaalsContact O-CD1 3.29Å; V105-L111 WeakPolarHBondContact O-CD1 3.47Å; V105-L111 WeakPolarHBondContact O-CD2 3.45Å; V105-L111 WeakPolarHBondContact O-CG 3.43Å; T107-L111 PolarHBondContact O-N 2.98Å; T108-L111 PolarHBondContact O-N 3.41Å; L111-D113 VanDerWaalsContact C-N 3.27Å; L111-L116 HydrophobicContact CD2-CD2 4.37Å; L111-H117 PolarHBondContact O-NE2 2.99Å
112S96.3Very high97.2Very high99 Ų9934.8 Ų34.869%0.69219%0.193SC*.THydrogen-bonded Turntrans-78.8-11.5174.572.30000113.5T108 V109 C110T108-S112 PolarHBondContact O-N 2.74Å; V109-S112 PolarHBondContact O-N 2.97Å; V109-S112 PolarHBondContact O-OG 2.8Å; C110-S112 PolarHBondContact O-N 2.88Å
113D97.8Very high97.1Very high14 Ų1434.4 Ų34.48%0.07519%0.189CC..  trans-83.3117.5-176.4-164.8-39.7000111.4L64 N67 C110 L111 Q115 L116 H117L64-D113 HydrophobicContact CD2-CB 3.87Å; N67-D113 PolarHBondContact ND2-OD2 2.76Å; C110-D113 VanDerWaalsContact O-CB 3.32Å; C110-D113 WeakPolarHBondContact O-CB 3.36Å; C110-D113 PolarHBondContact O-N 2.81Å; C110-D113 VanDerWaalsContact O-N 3.07Å; L111-D113 VanDerWaalsContact C-N 3.27Å; D113-Q115 PolarHBondContact O-N 3.31Å; D113-Q115 WeakPolarHBondContact OD1-CA 3.26Å; D113-Q115 WeakPolarHBondContact OD1-CB 3.15Å; D113-Q115 WeakPolarHBondContact OD1-CG 3.46Å; D113-Q115 PolarHBondContact OD1-N 2.65Å; D113-L116 HydrophobicContact CB-CB 4.48Å; D113-L116 WeakPolarHBondContact O-CB 3.44Å; D113-L116 PolarHBondContact O-N 3Å; D113-L116 VanDerWaalsContact O-N 3.16Å; D113-H117 PolarHBondContact O-CD2 3.17Å; D113-H117 VanDerWaalsContact O-CD2 3.24Å; D113-H117 PolarHBondContact O-N 3.09Å
114S98.2Very high97.2Very high40 Ų4030.2 Ų30.228%0.2817%0.172SC..Hα-helixtrans-64.3-24.5178.454.20000113.4L116 H117 L118 V133S114-L116 VanDerWaalsContact C-N 3.32Å; S114-L116 PolarHBondContact O-N 3.09Å; S114-H117 PolarHBondContact O-N 3.14Å; S114-L118 WeakPolarHBondContact O-CG 3.36Å; S114-L118 PolarHBondContact O-N 3.4Å; S114-V133 WeakPolarHBondContact OG-CG1 3.38Å
115Q98.3Very high97.2Very high15 Ų1533.7 Ų33.77%0.0720%0.195CC..Hα-helixtrans-67-35175.8-56.2-170.6-75.100111.4W59 D113 F119 I129 V133W59-Q115 HydrophobicContact CH2-CB 4.1Å; W59-Q115 HydrophobicContact CH2-CG 4.48Å; D113-Q115 PolarHBondContact O-N 3.31Å; D113-Q115 WeakPolarHBondContact OD1-CA 3.26Å; D113-Q115 WeakPolarHBondContact OD1-CB 3.15Å; D113-Q115 WeakPolarHBondContact OD1-CG 3.46Å; D113-Q115 PolarHBondContact OD1-N 2.65Å; Q115-F119 WeakPolarHBondContact O-CB 3.33Å; Q115-F119 PolarHBondContact O-N 3.12Å; Q115-I129 HydrophobicContact CB-CG2 4.18Å; Q115-I129 HydrophobicContact CG-CG2 4.31Å; Q115-V133 HydrophobicContact CG-CB 4.42Å; Q115-V133 HydrophobicContact CG-CG1 3.8Å; Q115-V133 HydrophobicContact CG-CG2 4.04Å
116L98.5Very high97.2Very high0 Ų035.1 Ų35.10%020%0.203CC..Hα-helixtrans-64.2-45.5173.517863.5000111L60 L64 V104 C110 L111 D113 S114 F119 L120L60-L116 HydrophobicContact CD1-CB 4.49Å; L60-L116 HydrophobicContact CD1-CD1 4.37Å; L60-L116 HydrophobicContact CD2-CD1 3.98Å; L64-L116 HydrophobicContact CD2-CB 4.36Å; V104-L116 HydrophobicContact CG1-CD1 3.74Å; V104-L116 HydrophobicContact CG1-CD2 3.68Å; V104-L116 HydrophobicContact CG1-CG 4.38Å; C110-L116 HydrophobicContact CB-CD2 4.35Å; C110-L116 VanDerWaalsContact O-CD2 3.31Å; C110-L116 WeakPolarHBondContact O-CD2 3.32Å; L111-L116 HydrophobicContact CD2-CD2 4.37Å; D113-L116 HydrophobicContact CB-CB 4.48Å; D113-L116 WeakPolarHBondContact O-CB 3.44Å; D113-L116 PolarHBondContact O-N 3Å; D113-L116 VanDerWaalsContact O-N 3.16Å; S114-L116 VanDerWaalsContact C-N 3.32Å; S114-L116 PolarHBondContact O-N 3.09Å; L116-F119 WeakPolarHBondContact O-CB 3.35Å; L116-F119 PolarHBondContact O-N 3.37Å; L116-L120 HydrophobicContact CD1-CD1 3.7Å; L116-L120 HydrophobicContact CD1-CG 4.06Å; L116-L120 HydrophobicContact CG-CD1 3.94Å; L116-L120 WeakPolarHBondContact O-CG 3.35Å; L116-L120 PolarHBondContact O-N 3.11Å
117H98.6Very high97.4Very high18 Ų1831 Ų318%0.08319%0.194CC..Hα-helixtrans-62.8-47.3179.1-71.1-67.8000112.1A42 F43 L111 D113 S114 F119 L120 Q121 I145A42-H117 PolarHBondContact O-CE1 3.26Å; A42-H117 PolarHBondContact O-NE2 3.02Å; F43-H117 AromaticContact CD1-CE1 3.64Å; F43-H117 AromaticContact CD1-ND1 3.44Å; F43-H117 WeakPolarHBondContact CD1-ND1 3.38Å; F43-H117 AromaticContact CE1-CE1 3.8Å; F43-H117 AromaticContact CE1-ND1 3.78Å; L111-H117 PolarHBondContact O-NE2 2.99Å; D113-H117 PolarHBondContact O-CD2 3.17Å; D113-H117 VanDerWaalsContact O-CD2 3.24Å; D113-H117 PolarHBondContact O-N 3.09Å; S114-H117 PolarHBondContact O-N 3.14Å; H117-F119 VanDerWaalsContact C-N 3.28Å; H117-F119 PolarHBondContact O-N 3.32Å; H117-L120 PolarHBondContact O-N 2.72Å; H117-Q121 VanDerWaalsContact O-CB 3.26Å; H117-Q121 WeakPolarHBondContact O-CB 3.5Å; H117-Q121 WeakPolarHBondContact O-CG 3.48Å; H117-Q121 PolarHBondContact O-N 2.73Å; H117-I145 HydrophobicContact CB-CD1 4.09Å
118L98.7Very high97.5Very high0 Ų033.8 Ų33.80%021%0.205CC..Hα-helixtrans-62.2-37.7175.5-70.5176.1000112R52 S114 T122 L124 I129 C132 V133 V141 A144 I145R52-L118 PolarHBondContact NH2-O 3.42Å; S114-L118 WeakPolarHBondContact O-CG 3.36Å; S114-L118 PolarHBondContact O-N 3.4Å; L118-T122 HydrophobicContact CD2-CG2 3.87Å; L118-T122 WeakPolarHBondContact O-CB 3.01Å; L118-T122 PolarHBondContact O-N 3.12Å; L118-T122 VanDerWaalsContact O-N 3.12Å; L118-T122 PolarHBondContact O-OG1 2.89Å; L118-L124 HydrophobicContact CD2-CD1 4.2Å; L118-I129 HydrophobicContact CB-CD1 4.35Å; L118-I129 HydrophobicContact CB-CG1 4.07Å; L118-I129 HydrophobicContact CB-CG2 3.89Å; L118-I129 HydrophobicContact CD1-CB 4.42Å; L118-I129 HydrophobicContact CD1-CG2 3.81Å; L118-C132 HydrophobicContact CD1-CB 3.95Å; L118-V133 HydrophobicContact CD1-CG1 3.84Å; L118-V141 HydrophobicContact CD1-CG1 4.48Å; L118-V141 HydrophobicContact CD1-CG2 4.15Å; L118-V141 HydrophobicContact CD2-CB 4.46Å; L118-V141 HydrophobicContact CD2-CG1 3.93Å; L118-V141 HydrophobicContact CG-CG1 3.97Å; L118-A144 HydrophobicContact CD2-CB 3.96Å; L118-I145 HydrophobicContact CD2-CG1 4.17Å
119F98.7Very high97.7Very high0 Ų028.4 Ų28.40%017%0.172CC..Hα-helixtrans-63.3-43.8177.1179.6-87.5000112.6I34 R52 E56 F57 L60 Q115 L116 H117I34-F119 HydrophobicContact CD1-CD1 4.48Å; I34-F119 HydrophobicContact CD1-CE1 3.66Å; I34-F119 HydrophobicContact CD1-CZ 4.25Å; R52-F119 HydrophobicContact CB-CE1 4.39Å; R52-F119 HydrophobicContact CB-CE2 4.1Å; R52-F119 HydrophobicContact CB-CZ 3.7Å; R52-F119 HydrophobicContact CG-CD1 4.44Å; R52-F119 HydrophobicContact CG-CD2 4.32Å; R52-F119 HydrophobicContact CG-CE1 3.9Å; R52-F119 HydrophobicContact CG-CE2 3.76Å; R52-F119 HydrophobicContact CG-CZ 3.53Å; R52-F119 PolarHBondContact NE-O 2.81Å; R52-F119 PolarHBondContact NH2-O 2.8Å; E56-F119 HydrophobicContact CB-CE2 3.82Å; F57-F119 HydrophobicContact CD1-CE1 4.18Å; F57-F119 AromaticContact CD1-CZ 3.84Å; F57-F119 HydrophobicContact CD1-CZ 3.84Å; F57-F119 AromaticContact CD2-CZ 3.94Å; F57-F119 HydrophobicContact CD2-CZ 3.94Å; F57-F119 AromaticContact CE1-CE1 3.92Å; F57-F119 HydrophobicContact CE1-CE1 3.92Å; F57-F119 AromaticContact CE1-CZ 3.89Å; F57-F119 HydrophobicContact CE1-CZ 3.89Å; F57-F119 AromaticContact CE2-CZ 3.97Å; F57-F119 HydrophobicContact CE2-CZ 3.97Å; F57-F119 AromaticContact CG-CZ 3.89Å; F57-F119 HydrophobicContact CG-CZ 3.89Å; F57-F119 HydrophobicContact CZ-CE1 4.16Å; F57-F119 AromaticContact CZ-CZ 3.96Å; F57-F119 HydrophobicContact CZ-CZ 3.96Å; L60-F119 HydrophobicContact CB-CD2 4.33Å; L60-F119 HydrophobicContact CB-CE2 4.35Å; L60-F119 HydrophobicContact CD1-CB 4.33Å; L60-F119 HydrophobicContact CD1-CG 4.46Å; L60-F119 HydrophobicContact CD2-CB 4.41Å; L60-F119 HydrophobicContact CD2-CD1 3.61Å; L60-F119 HydrophobicContact CD2-CD2 4.17Å; L60-F119 HydrophobicContact CD2-CE1 3.77Å; L60-F119 HydrophobicContact CD2-CE2 4.3Å; L60-F119 HydrophobicContact CD2-CG 3.82Å; L60-F119 HydrophobicContact CD2-CZ 4.11Å; Q115-F119 WeakPolarHBondContact O-CB 3.33Å; Q115-F119 PolarHBondContact O-N 3.12Å; L116-F119 WeakPolarHBondContact O-CB 3.35Å; L116-F119 PolarHBondContact O-N 3.37Å; H117-F119 VanDerWaalsContact C-N 3.28Å; H117-F119 PolarHBondContact O-N 3.32Å
120L98.6Very high97.8Very high0 Ų028.5 Ų28.50%017%0.169CC..Hα-helixtrans-85.2-27.2-175.9-67176.6000114.2I34 L36 F43 S48 V50 L101 V105 L116 H117I34-L120 HydrophobicContact CD1-CD2 4.43Å; I34-L120 HydrophobicContact CG2-CD2 3.96Å; L36-L120 HydrophobicContact CD1-CB 4.33Å; L36-L120 HydrophobicContact CD1-CD1 3.99Å; F43-L120 HydrophobicContact CE1-CD1 4.1Å; S48-L120 PolarHBondContact OG-O 2.89Å; V50-L120 WeakPolarHBondContact CG1-O 3.39Å; L101-L120 HydrophobicContact CD1-CD2 4.1Å; L101-L120 HydrophobicContact CD2-CD2 4.07Å; V105-L120 HydrophobicContact CG1-CD1 4.12Å; L116-L120 HydrophobicContact CD1-CD1 3.7Å; L116-L120 HydrophobicContact CD1-CG 4.06Å; L116-L120 HydrophobicContact CG-CD1 3.94Å; L116-L120 WeakPolarHBondContact O-CG 3.35Å; L116-L120 PolarHBondContact O-N 3.11Å; H117-L120 PolarHBondContact O-N 2.72Å
121Q98.4Very high97.9Very high1 Ų131.3 Ų31.31%0.00518%0.184CC..Hα-helixtrans-116.41.8-169.3-48.9-161.7-75.100114A45 H117 I145 Y148A45-Q121 PolarHBondContact O-NE2 3.46Å; H117-Q121 VanDerWaalsContact O-CB 3.26Å; H117-Q121 WeakPolarHBondContact O-CB 3.5Å; H117-Q121 WeakPolarHBondContact O-CG 3.48Å; H117-Q121 PolarHBondContact O-N 2.73Å; Q121-I145 HydrophobicContact CB-CB 4.46Å; Q121-I145 HydrophobicContact CB-CD1 4.44Å; Q121-I145 HydrophobicContact CB-CG1 4.06Å; Q121-I145 HydrophobicContact CB-CG2 3.66Å; Q121-Y148 WeakPolarHBondContact O-CD1 3.26Å
122T98.3Very high98.1Very high2 Ų230.3 Ų30.31%0.01218%0.179CC..  trans-138.7161.9173.979.80000111.7V50 R52 L118 L124 A144 I145V50-T122 WeakPolarHBondContact CG1-O 3.43Å; R52-T122 PolarHBondContact NH2-O 3.48Å; L118-T122 HydrophobicContact CD2-CG2 3.87Å; L118-T122 WeakPolarHBondContact O-CB 3.01Å; L118-T122 PolarHBondContact O-N 3.12Å; L118-T122 VanDerWaalsContact O-N 3.12Å; L118-T122 PolarHBondContact O-OG1 2.89Å; T122-L124 VanDerWaalsContact C-N 3.33Å; T122-L124 WeakPolarHBondContact OG1-CB 3.41Å; T122-L124 WeakPolarHBondContact OG1-CG 3.31Å; T122-L124 PolarHBondContact OG1-N 3.46Å; T122-A144 HydrophobicContact CG2-CB 4.31Å; T122-I145 HydrophobicContact CG2-CB 4.38Å; T122-I145 HydrophobicContact CG2-CG1 3.76Å
123Q97.3Very high98.1Very high64 Ų6428 Ų2830%0.29916%0.16SC..  trans-94.420.1169.2-162.558.97100112.6R51 Y148R51-Q123 PolarHBondContact O-NE2 3.01Å; R51-Q123 PolarHBondContact O-OE1 3Å; Q123-Y148 HydrophobicContact CB-CD2 4.2Å; Q123-Y148 HydrophobicContact CB-CE2 3.48Å; Q123-Y148 VanDerWaalsContact CB-CE2 3.48Å
124L97.6Very high98.1Very high32 Ų3233.1 Ų33.117%0.16818%0.184CC..  trans-62.8133.7179.6-71.1179.4000111.1R52 L118 T122 H128 I129 Y139 A144R52-L124 PolarHBondContact NH1-O 3.21Å; R52-L124 PolarHBondContact NH2-O 2.64Å; R52-L124 VanDerWaalsContact NH2-O 3.09Å; L118-L124 HydrophobicContact CD2-CD1 4.2Å; T122-L124 VanDerWaalsContact C-N 3.33Å; T122-L124 WeakPolarHBondContact OG1-CB 3.41Å; T122-L124 WeakPolarHBondContact OG1-CG 3.31Å; T122-L124 PolarHBondContact OG1-N 3.46Å; L124-H128 HydrophobicContact CB-CB 4.34Å; L124-H128 HydrophobicContact CD2-CB 4.27Å; L124-I129 HydrophobicContact CB-CG1 3.82Å; L124-Y139 HydrophobicContact CD1-CE2 4.17Å; L124-A144 HydrophobicContact CD1-CB 4.07Å
125P97.4Very high98.1Very high73 Ų7334.2 Ų34.247%0.47420%0.201SC..  trans-60.6154.1170-21.232.2000111.4G127 H128 I129P125-G127 VanDerWaalsContact C-N 3.28Å; P125-G127 PolarHBondContact O-N 2.84Å; P125-G127 VanDerWaalsContact O-N 3.16Å; P125-H128 PolarHBondContact O-N 2.83Å; P125-I129 PolarHBondContact O-N 3.22Å
126V97.8Very high98.1Very high31 Ų3139.2 Ų39.219%0.18823%0.228CC..Hα-helixtrans-49.8-43.9-178.2166.50000113.5E56 W59 I129 Q130E56-V126 HydrophobicContact CB-CG2 4.19Å; E56-V126 HydrophobicContact CG-CG2 3.91Å; W59-V126 VanDerWaalsContact CD1-CG1 3.49Å; W59-V126 HydrophobicContact CD2-CB 4.39Å; W59-V126 HydrophobicContact CD2-CG1 3.5Å; W59-V126 HydrophobicContact CD2-CG2 4.03Å; W59-V126 HydrophobicContact CE3-CG1 4.18Å; W59-V126 HydrophobicContact CE3-CG2 3.97Å; W59-V126 HydrophobicContact CG-CG1 3.66Å; W59-V126 HydrophobicContact CG-CG2 4.31Å; W59-V126 HydrophobicContact CZ2-CG1 3.89Å; V126-I129 WeakPolarHBondContact O-CB 3.45Å; V126-I129 PolarHBondContact O-N 2.95Å; V126-Q130 WeakPolarHBondContact O-CG 3.27Å; V126-Q130 PolarHBondContact O-N 3.16Å; V126-Q130 VanDerWaalsContact O-N 3.11Å
127G97.6Very high98Very high36 Ų3640.2 Ų40.237%0.37123%0.234SC..Hα-helixtrans-58.9-48.717700000112.4P125 I129 Q130 D131P125-G127 VanDerWaalsContact C-N 3.28Å; P125-G127 PolarHBondContact O-N 2.84Å; P125-G127 VanDerWaalsContact O-N 3.16Å; G127-I129 VanDerWaalsContact C-N 3.3Å; G127-I129 PolarHBondContact O-N 2.64Å; G127-Q130 WeakPolarHBondContact O-CA 3.43Å; G127-Q130 WeakPolarHBondContact O-CB 3.46Å; G127-Q130 PolarHBondContact O-N 3.32Å; G127-D131 PolarHBondContact O-N 3.4Å
128H98Very high98Very high90 Ų9045.8 Ų45.842%0.41727%0.272SS..Hα-helixtrans-65-31.2177.3-73.8-80.6000113.5L124 P125 Q130 D131 C132L124-H128 HydrophobicContact CB-CB 4.34Å; L124-H128 HydrophobicContact CD2-CB 4.27Å; P125-H128 PolarHBondContact O-N 2.83Å; H128-Q130 VanDerWaalsContact C-N 3.31Å; H128-D131 PolarHBondContact O-N 3.03Å; H128-C132 VanDerWaalsContact O-CB 3.24Å; H128-C132 WeakPolarHBondContact O-CB 3.37Å; H128-C132 PolarHBondContact O-N 3.09Å
129I98.5Very high97.9Very high0 Ų049.2 Ų49.20%029%0.285CS..Hα-helixtrans-61.9-44.7171.7-63.7176.1000109.6W59 Q115 L118 L124 P125 V126 G127 C132 V133W59-I129 HydrophobicContact CH2-CB 4.15Å; W59-I129 HydrophobicContact CH2-CD1 4.47Å; W59-I129 HydrophobicContact CH2-CG2 3.65Å; W59-I129 HydrophobicContact CZ2-CG2 4.47Å; W59-I129 HydrophobicContact CZ3-CD1 4.37Å; W59-I129 HydrophobicContact CZ3-CG2 4.43Å; Q115-I129 HydrophobicContact CB-CG2 4.18Å; Q115-I129 HydrophobicContact CG-CG2 4.31Å; L118-I129 HydrophobicContact CB-CD1 4.35Å; L118-I129 HydrophobicContact CB-CG1 4.07Å; L118-I129 HydrophobicContact CB-CG2 3.89Å; L118-I129 HydrophobicContact CD1-CB 4.42Å; L118-I129 HydrophobicContact CD1-CG2 3.81Å; L124-I129 HydrophobicContact CB-CG1 3.82Å; P125-I129 PolarHBondContact O-N 3.22Å; V126-I129 WeakPolarHBondContact O-CB 3.45Å; V126-I129 PolarHBondContact O-N 2.95Å; G127-I129 VanDerWaalsContact C-N 3.3Å; G127-I129 PolarHBondContact O-N 2.64Å; I129-C132 PolarHBondContact O-N 3.15Å; I129-V133 WeakPolarHBondContact O-CG1 3.48Å; I129-V133 WeakPolarHBondContact O-CG2 3.28Å; I129-V133 PolarHBondContact O-N 2.87Å; I129-V133 VanDerWaalsContact O-N 3.11Å
130Q97.9Very high97.9Very high54 Ų5451.7 Ų51.725%0.25230%0.302SS..Hα-helixtrans-64.5-43.2178.8-66.6178.7-92.700112.1W59 V126 G127 H128 C132 V133 Q134W59-Q130 HydrophobicContact CZ2-CG 3.66Å; V126-Q130 WeakPolarHBondContact O-CG 3.27Å; V126-Q130 PolarHBondContact O-N 3.16Å; V126-Q130 VanDerWaalsContact O-N 3.11Å; G127-Q130 WeakPolarHBondContact O-CA 3.43Å; G127-Q130 WeakPolarHBondContact O-CB 3.46Å; G127-Q130 PolarHBondContact O-N 3.32Å; H128-Q130 VanDerWaalsContact C-N 3.31Å; Q130-C132 VanDerWaalsContact C-N 3.3Å; Q130-C132 PolarHBondContact O-N 3.18Å; Q130-V133 WeakPolarHBondContact O-CG2 3.41Å; Q130-Q134 WeakPolarHBondContact O-CB 3.45Å; Q130-Q134 VanDerWaalsContact O-CG 3.28Å; Q130-Q134 WeakPolarHBondContact O-CG 3.25Å; Q130-Q134 PolarHBondContact O-N 3.12Å; Q130-Q134 VanDerWaalsContact O-N 3.17Å; Q130-Q134 PolarHBondContact O-NE2 2.9Å
131D98.4Very high97.9Very high61 Ų6153.2 Ų53.233%0.32631%0.312SS..Hα-helixtrans-62.5-41.4177.4-62.9-20.1000110.7G127 H128 Q134 G135 L136 T137G127-D131 PolarHBondContact O-N 3.4Å; H128-D131 PolarHBondContact O-N 3.03Å; D131-Q134 PolarHBondContact O-N 2.87Å; D131-G135 PolarHBondContact O-N 3.38Å; D131-G135 VanDerWaalsContact O-N 3.14Å; D131-L136 HydrophobicContact CB-CB 4.08Å; D131-L136 PolarHBondContact O-N 3.28Å; D131-T137 HydrophobicContact CB-CG2 3.82Å
132C98.3Very high97.9Very high7 Ų756.3 Ų56.35%0.04733%0.331CS..Hα-helixtrans-64.4-46.4-179.2-173.10000112.5L118 H128 I129 Q130 Q134 G135 T137 Y139L118-C132 HydrophobicContact CD1-CB 3.95Å; H128-C132 VanDerWaalsContact O-CB 3.24Å; H128-C132 WeakPolarHBondContact O-CB 3.37Å; H128-C132 PolarHBondContact O-N 3.09Å; I129-C132 PolarHBondContact O-N 3.15Å; Q130-C132 VanDerWaalsContact C-N 3.3Å; Q130-C132 PolarHBondContact O-N 3.18Å; C132-Q134 PolarHBondContact O-N 3.41Å; C132-G135 PolarHBondContact O-N 3.43Å; C132-G135 VanDerWaalsContact O-N 3.09Å; C132-T137 VanDerWaalsContact CA-OG1 3.26Å; C132-T137 WeakPolarHBondContact CA-OG1 2.64Å; C132-T137 HydrophobicContact CB-CG2 3.97Å; C132-Y139 HydrophobicContact CB-CE2 4.41Å
133V97.3Very high97.9Very high50 Ų5060 Ų6030%0.30335%0.351SS..Hα-helixtrans-71.1-19.2178.4-57.10000113.4S114 Q115 L118 I129 Q130 V141S114-V133 WeakPolarHBondContact OG-CG1 3.38Å; Q115-V133 HydrophobicContact CG-CB 4.42Å; Q115-V133 HydrophobicContact CG-CG1 3.8Å; Q115-V133 HydrophobicContact CG-CG2 4.04Å; L118-V133 HydrophobicContact CD1-CG1 3.84Å; I129-V133 WeakPolarHBondContact O-CG1 3.48Å; I129-V133 WeakPolarHBondContact O-CG2 3.28Å; I129-V133 PolarHBondContact O-N 2.87Å; I129-V133 VanDerWaalsContact O-N 3.11Å; Q130-V133 WeakPolarHBondContact O-CG2 3.41Å; V133-V141 HydrophobicContact CG1-CG2 4.43Å
134Q97.5Very high97.9Very high122 Ų12257.4 Ų57.457%0.5734%0.34SS*.THydrogen-bonded Turntrans-87.5-4.5173.1-72.9170.472.100113Q130 D131 C132 L136Q130-Q134 WeakPolarHBondContact O-CB 3.45Å; Q130-Q134 VanDerWaalsContact O-CG 3.28Å; Q130-Q134 WeakPolarHBondContact O-CG 3.25Å; Q130-Q134 PolarHBondContact O-N 3.12Å; Q130-Q134 VanDerWaalsContact O-N 3.17Å; Q130-Q134 PolarHBondContact O-NE2 2.9Å; D131-Q134 PolarHBondContact O-N 2.87Å; C132-Q134 PolarHBondContact O-N 3.41Å; Q134-L136 VanDerWaalsContact C-N 3.33Å; Q134-L136 HydrophobicContact CB-CD1 4.15Å; Q134-L136 HydrophobicContact CB-CG 3.99Å
135G97.8Very high98Very high62 Ų6255.9 Ų55.964%0.63933%0.332SS*.THydrogen-bonded Turntrans73.921.8-176.900000114.1D131 C132D131-G135 PolarHBondContact O-N 3.38Å; D131-G135 VanDerWaalsContact O-N 3.14Å; C132-G135 PolarHBondContact O-N 3.43Å; C132-G135 VanDerWaalsContact O-N 3.09Å
136L97.9Very high98Very high121 Ų12156.6 Ų56.663%0.63433%0.332SS*.  trans-89-8.8178.1-58.7177.9000112.8D131 Q134D131-L136 HydrophobicContact CB-CB 4.08Å; D131-L136 PolarHBondContact O-N 3.28Å; Q134-L136 VanDerWaalsContact C-N 3.33Å; Q134-L136 HydrophobicContact CB-CD1 4.15Å; Q134-L136 HydrophobicContact CB-CG 3.99Å
137T97.7Very high98Very high21 Ų2159.4 Ų59.413%0.12935%0.349CS..SBendtrans-92.1153.5174.755.70000111.9D131 C132 Y139D131-T137 HydrophobicContact CB-CG2 3.82Å; C132-T137 VanDerWaalsContact CA-OG1 3.26Å; C132-T137 WeakPolarHBondContact CA-OG1 2.64Å; C132-T137 HydrophobicContact CB-CG2 3.97Å; T137-Y139 HydrophobicContact CG2-CE1 4.49Å; T137-Y139 HydrophobicContact CG2-CE2 4.08Å; T137-Y139 PolarHBondContact O-N 2.84Å; T137-Y139 VanDerWaalsContact O-N 3.16Å; T137-Y139 PolarHBondContact OG1-O 3.44Å
138P97.6Very high98Very high135 Ų13558.6 Ų58.688%0.87734%0.335SS*.SBendtrans-74.92.4176.832.3-36.5000114
139Y97.8Very high97.8Very high71 Ų7157 Ų5728%0.27834%0.337SS..SBendtrans-130.4151.5-179.850.5-101.9000110.3L124 C132 T137 A144L124-Y139 HydrophobicContact CD1-CE2 4.17Å; C132-Y139 HydrophobicContact CB-CE2 4.41Å; T137-Y139 HydrophobicContact CG2-CE1 4.49Å; T137-Y139 HydrophobicContact CG2-CE2 4.08Å; T137-Y139 PolarHBondContact O-N 2.84Å; T137-Y139 VanDerWaalsContact O-N 3.16Å; T137-Y139 PolarHBondContact OG1-O 3.44Å; Y139-A144 HydrophobicContact CD2-CB 3.78Å; Y139-A144 HydrophobicContact CE2-CB 3.88Å
140S98.4Very high97.7Very high52 Ų5261.3 Ų61.336%0.36437%0.367SS..  trans-80.2170.7174.673.70000112.3T142 D143 A144S140-T142 VanDerWaalsContact C-N 3.29Å; S140-T142 PolarHBondContact O-N 3.47Å; S140-T142 PolarHBondContact OG-N 2.84Å; S140-D143 WeakPolarHBondContact CB-OD2 3.49Å; S140-D143 PolarHBondContact N-OD2 3.2Å; S140-D143 PolarHBondContact O-N 3Å; S140-D143 PolarHBondContact OG-N 3.37Å; S140-D143 VanDerWaalsContact OG-N 3.14Å; S140-D143 PolarHBondContact OG-OD2 3.09Å; S140-A144 PolarHBondContact O-N 2.87Å
141V98.4Very high97.4Very high32 Ų3261 Ų6119%0.19437%0.371CS..Hα-helixtrans-55-47.3172.3172.80000110.9L118 V133 A144 I145L118-V141 HydrophobicContact CD1-CG1 4.48Å; L118-V141 HydrophobicContact CD1-CG2 4.15Å; L118-V141 HydrophobicContact CD2-CB 4.46Å; L118-V141 HydrophobicContact CD2-CG1 3.93Å; L118-V141 HydrophobicContact CG-CG1 3.97Å; V133-V141 HydrophobicContact CG1-CG2 4.43Å; V141-A144 PolarHBondContact O-N 3.3Å; V141-I145 HydrophobicContact CG1-CD1 3.89Å; V141-I145 VanDerWaalsContact O-CG1 3.28Å; V141-I145 WeakPolarHBondContact O-CG1 3.06Å; V141-I145 PolarHBondContact O-N 2.8Å; V141-I145 VanDerWaalsContact O-N 3.12Å
142T98.3Very high96.7Very high67 Ų6763.4 Ų63.441%0.41138%0.384SS..Hα-helixtrans-64.1-44.2-179.7-52.20000111T44 S140 A144 I145 L146T44-T142 HydrophobicContact CG2-CG2 3.88Å; S140-T142 VanDerWaalsContact C-N 3.29Å; S140-T142 PolarHBondContact O-N 3.47Å; S140-T142 PolarHBondContact OG-N 2.84Å; T142-A144 VanDerWaalsContact C-N 3.33Å; T142-A144 PolarHBondContact O-N 3.43Å; T142-I145 PolarHBondContact O-N 3.12Å; T142-L146 HydrophobicContact CG2-CD1 3.9Å; T142-L146 HydrophobicContact CG2-CG 4.26Å; T142-L146 WeakPolarHBondContact O-CB 3.32Å; T142-L146 WeakPolarHBondContact O-CG 3.29Å; T142-L146 PolarHBondContact O-N 3.49Å
143D98.2Very high96Very high79 Ų7970.9 Ų70.942%0.42241%0.411SS..Hα-helixtrans-62.2-42178.6-59.4-37.7000111.3S140 I145 L146 T147S140-D143 WeakPolarHBondContact CB-OD2 3.49Å; S140-D143 PolarHBondContact N-OD2 3.2Å; S140-D143 PolarHBondContact O-N 3Å; S140-D143 PolarHBondContact OG-N 3.37Å; S140-D143 VanDerWaalsContact OG-N 3.14Å; S140-D143 PolarHBondContact OG-OD2 3.09Å; D143-I145 VanDerWaalsContact C-N 3.32Å; D143-I145 PolarHBondContact O-N 3.2Å; D143-L146 PolarHBondContact O-N 3.36Å; D143-T147 WeakPolarHBondContact O-CB 3.44Å; D143-T147 PolarHBondContact O-N 2.87Å; D143-T147 PolarHBondContact O-OG1 2.95Å
144A98.3Very high95.1Very high9 Ų969.2 Ų69.27%0.07440%0.404CS..Hα-helixtrans-59.8-43.3176.200000111.9L118 T122 L124 Y139 S140 V141 T142 Y148L118-A144 HydrophobicContact CD2-CB 3.96Å; T122-A144 HydrophobicContact CG2-CB 4.31Å; L124-A144 HydrophobicContact CD1-CB 4.07Å; Y139-A144 HydrophobicContact CD2-CB 3.78Å; Y139-A144 HydrophobicContact CE2-CB 3.88Å; S140-A144 PolarHBondContact O-N 2.87Å; V141-A144 PolarHBondContact O-N 3.3Å; T142-A144 VanDerWaalsContact C-N 3.33Å; T142-A144 PolarHBondContact O-N 3.43Å; A144-Y148 WeakPolarHBondContact O-CB 3.4Å; A144-Y148 PolarHBondContact O-N 3.27Å
145I98.4Very high94.2Very high0 Ų067.8 Ų67.80%040%0.399CS..Hα-helixtrans-68.1-48.3179.5-62.8164.2000111.1T44 A45 H117 L118 Q121 T122 V141 T142 D143 T147 Y148 A149T44-I145 HydrophobicContact CG2-CB 4.12Å; T44-I145 HydrophobicContact CG2-CG2 3.84Å; A45-I145 HydrophobicContact CB-CG2 4.09Å; H117-I145 HydrophobicContact CB-CD1 4.09Å; L118-I145 HydrophobicContact CD2-CG1 4.17Å; Q121-I145 HydrophobicContact CB-CB 4.46Å; Q121-I145 HydrophobicContact CB-CD1 4.44Å; Q121-I145 HydrophobicContact CB-CG1 4.06Å; Q121-I145 HydrophobicContact CB-CG2 3.66Å; T122-I145 HydrophobicContact CG2-CB 4.38Å; T122-I145 HydrophobicContact CG2-CG1 3.76Å; V141-I145 HydrophobicContact CG1-CD1 3.89Å; V141-I145 VanDerWaalsContact O-CG1 3.28Å; V141-I145 WeakPolarHBondContact O-CG1 3.06Å; V141-I145 PolarHBondContact O-N 2.8Å; V141-I145 VanDerWaalsContact O-N 3.12Å; T142-I145 PolarHBondContact O-N 3.12Å; D143-I145 VanDerWaalsContact C-N 3.32Å; D143-I145 PolarHBondContact O-N 3.2Å; I145-T147 VanDerWaalsContact C-N 3.34Å; I145-T147 PolarHBondContact O-N 2.9Å; I145-Y148 PolarHBondContact O-N 3.47Å; I145-A149 WeakPolarHBondContact O-CB 3.46Å; I145-A149 PolarHBondContact O-N 3.05Å
146L97.8Very high93.4Very high89 Ų8967.7 Ų67.747%0.46639%0.393SS..Hα-helixtrans-64.1-40.6179.5-68.2178000111.7T44 T142 D143 Y148 A149 S150T44-L146 HydrophobicContact CG2-CD2 3.79Å; T44-L146 HydrophobicContact CG2-CG 3.97Å; T142-L146 HydrophobicContact CG2-CD1 3.9Å; T142-L146 HydrophobicContact CG2-CG 4.26Å; T142-L146 WeakPolarHBondContact O-CB 3.32Å; T142-L146 WeakPolarHBondContact O-CG 3.29Å; T142-L146 PolarHBondContact O-N 3.49Å; D143-L146 PolarHBondContact O-N 3.36Å; L146-Y148 VanDerWaalsContact C-N 3.34Å; L146-Y148 PolarHBondContact O-N 2.96Å; L146-A149 PolarHBondContact O-N 2.82Å; L146-S150 WeakPolarHBondContact O-CB 3.41Å; L146-S150 PolarHBondContact O-N 2.78Å; L146-S150 PolarHBondContact O-OG 3.11Å; L146-S150 VanDerWaalsContact O-OG 3.13Å
147T97.4Very high92.6Very high90 Ų9063.5 Ų63.555%0.55237%0.37SS*.Hα-helixtrans-62.6-41.8175.3-58.50000111.1D143 I145 S150 S151D143-T147 WeakPolarHBondContact O-CB 3.44Å; D143-T147 PolarHBondContact O-N 2.87Å; D143-T147 PolarHBondContact O-OG1 2.95Å; I145-T147 VanDerWaalsContact C-N 3.34Å; I145-T147 PolarHBondContact O-N 2.9Å; T147-S150 PolarHBondContact O-OG 3.49Å; T147-S150 VanDerWaalsContact O-OG 3.07Å; T147-S151 WeakPolarHBondContact O-CB 3.45Å; T147-S151 PolarHBondContact O-N 2.95Å
148Y97.3Very high91.6Very high19 Ų1963.8 Ų63.88%0.07538%0.375CS..Hα-helixtrans-66.1-45.8176.5-174.9-101.3000111.6C49 V50 Q121 Q123 A144 I145 L146 S150 S151 R153 Q157C49-Y148 PolarHBondContact O-OH 2.98Å; V50-Y148 HydrophobicContact CG1-CE1 3.83Å; Q121-Y148 WeakPolarHBondContact O-CD1 3.26Å; Q123-Y148 HydrophobicContact CB-CD2 4.2Å; Q123-Y148 HydrophobicContact CB-CE2 3.48Å; Q123-Y148 VanDerWaalsContact CB-CE2 3.48Å; A144-Y148 WeakPolarHBondContact O-CB 3.4Å; A144-Y148 PolarHBondContact O-N 3.27Å; I145-Y148 PolarHBondContact O-N 3.47Å; L146-Y148 VanDerWaalsContact C-N 3.34Å; L146-Y148 PolarHBondContact O-N 2.96Å; Y148-S150 VanDerWaalsContact C-N 3.28Å; Y148-S150 PolarHBondContact O-N 3.24Å; Y148-S151 PolarHBondContact O-N 3.02Å; Y148-S151 VanDerWaalsContact O-N 3.14Å; Y148-S151 PolarHBondContact O-OG 2.83Å; Y148-R153 HydrophobicContact CD2-CB 4.41Å; Y148-R153 HydrophobicContact CE2-CB 3.73Å; Y148-Q157 PolarHBondContact OH-OE1 2.99Å
149A95.1Very high90.5Very high57 Ų5762.8 Ų62.847%0.47136%0.358SS..Hα-helixtrans-59.9-36.2178.800000112.6A45 I145 L146A45-A149 HydrophobicContact CB-CB 4.34Å; I145-A149 WeakPolarHBondContact O-CB 3.46Å; I145-A149 PolarHBondContact O-N 3.05Å; L146-A149 PolarHBondContact O-N 2.82Å
150S95.4Very high88.9Confident89 Ų8964.8 Ų64.862%0.62237%0.37SS*.Hα-helixtrans-80.7-16.5177.664.40000114.3L146 T147 Y148 N152L146-S150 WeakPolarHBondContact O-CB 3.41Å; L146-S150 PolarHBondContact O-N 2.78Å; L146-S150 PolarHBondContact O-OG 3.11Å; L146-S150 VanDerWaalsContact O-OG 3.13Å; T147-S150 PolarHBondContact O-OG 3.49Å; T147-S150 VanDerWaalsContact O-OG 3.07Å; Y148-S150 VanDerWaalsContact C-N 3.28Å; Y148-S150 PolarHBondContact O-N 3.24Å; S150-N152 VanDerWaalsContact C-N 3.26Å; S150-N152 PolarHBondContact O-N 2.9Å
151S92Very high86.8Confident47 Ų4766.6 Ų66.633%0.32937%0.373SS..THydrogen-bonded Turntrans-77.83-172.471.40000116T147 Y148 R153T147-S151 WeakPolarHBondContact O-CB 3.45Å; T147-S151 PolarHBondContact O-N 2.95Å; Y148-S151 PolarHBondContact O-N 3.02Å; Y148-S151 VanDerWaalsContact O-N 3.14Å; Y148-S151 PolarHBondContact O-OG 2.83Å; S151-R153 PolarHBondContact O-N 3.11Å; S151-R153 WeakPolarHBondContact OG-CB 3.25Å; S151-R153 WeakPolarHBondContact OG-CG 3.2Å; S151-R153 PolarHBondContact OG-N 2.98Å
152N84.1Confident84.4Confident113 Ų11370.8 Ų70.860%0.60439%0.394SS*.SBendtrans55-1.2-169.8-65.6-27.4000115.7S150 G154 L155 A156S150-N152 VanDerWaalsContact C-N 3.26Å; S150-N152 PolarHBondContact O-N 2.9Å; N152-G154 VanDerWaalsContact C-N 3.3Å; N152-G154 PolarHBondContact O-N 3.48Å; N152-L155 WeakPolarHBondContact O-CB 3.42Å; N152-L155 PolarHBondContact O-N 3Å; N152-A156 PolarHBondContact O-N 3.17Å
153R83.5Confident81.8Confident164 Ų16472.9 Ų72.962%0.61941%0.412SS*.Hα-helixtrans-60.8-39.3-179.7-70.9-179.1175.1-169.8-0.6112.3Y148 S151 A156 Q157Y148-R153 HydrophobicContact CD2-CB 4.41Å; Y148-R153 HydrophobicContact CE2-CB 3.73Å; S151-R153 PolarHBondContact O-N 3.11Å; S151-R153 WeakPolarHBondContact OG-CB 3.25Å; S151-R153 WeakPolarHBondContact OG-CG 3.2Å; S151-R153 PolarHBondContact OG-N 2.98Å; R153-A156 PolarHBondContact O-N 3.37Å; R153-Q157 WeakPolarHBondContact O-CG 3.42Å; R153-Q157 PolarHBondContact O-N 3.36Å; R153-Q157 VanDerWaalsContact O-N 3.11Å
154G78.3Confident79.5Confident14 Ų1475.1 Ų75.114%0.14443%0.428CS..Hα-helixtrans-64.3-39.3174.100000112.3C49 N152 Q157 A158C49-G154 WeakPolarHBondContact CB-O 3.5Å; C49-G154 WeakPolarHBondContact O-CA 3.44Å; N152-G154 VanDerWaalsContact C-N 3.3Å; N152-G154 PolarHBondContact O-N 3.48Å; G154-Q157 PolarHBondContact O-N 3.16Å; G154-A158 PolarHBondContact O-N 3Å
155L79.5Confident77.2Confident92 Ų9285.4 Ų85.448%0.48247%0.465SS..Hα-helixtrans-65.3-44.3176.5-177.466.2000111.4N152 Q157 A158 Q159N152-L155 WeakPolarHBondContact O-CB 3.42Å; N152-L155 PolarHBondContact O-N 3Å; L155-Q157 VanDerWaalsContact C-N 3.28Å; L155-Q157 PolarHBondContact O-N 3.33Å; L155-A158 WeakPolarHBondContact O-CA 3.49Å; L155-A158 WeakPolarHBondContact O-CB 3.29Å; L155-A158 PolarHBondContact O-N 2.74Å; L155-Q159 HydrophobicContact CD1-CG 4.23Å; L155-Q159 HydrophobicContact CG-CG 4.39Å; L155-Q159 PolarHBondContact O-N 3.22Å
156A79.4Confident74.3Confident60 Ų6093.2 Ų93.250%0.49650%0.501SS..Hα-helixtrans-59.5-39.8176.400000112.1N152 R153 A158 Q160N152-A156 PolarHBondContact O-N 3.17Å; R153-A156 PolarHBondContact O-N 3.37Å; A156-A158 VanDerWaalsContact C-N 3.32Å; A156-Q160 PolarHBondContact O-N 3.27Å
157Q80.9Confident71.6Confident33 Ų3394.5 Ų94.515%0.15452%0.515CS..Hα-helixtrans-69.4-28.9173.8-70.3-178.4-7.900113K33 C49 R51 Y148 R153 G154 L155K33-Q157 VanDerWaalsContact CE-O 3.31Å; K33-Q157 WeakPolarHBondContact CE-O 2.94Å; C49-Q157 PolarHBondContact O-OE1 3.06Å; C49-Q157 VanDerWaalsContact O-OE1 3.09Å; R51-Q157 HydrophobicContact CG-CG 4.45Å; Y148-Q157 PolarHBondContact OH-OE1 2.99Å; R153-Q157 WeakPolarHBondContact O-CG 3.42Å; R153-Q157 PolarHBondContact O-N 3.36Å; R153-Q157 VanDerWaalsContact O-N 3.11Å; G154-Q157 PolarHBondContact O-N 3.16Å; L155-Q157 VanDerWaalsContact C-N 3.28Å; L155-Q157 PolarHBondContact O-N 3.33Å
158A77.3Confident68.9Low28 Ų2893.1 Ų93.123%0.23152%0.518CS..Hα-helixtrans-70.5-46.4175.100000111.8K33 C49 G154 L155 A156 Q160K33-A158 PolarHBondContact NZ-O 2.97Å; C49-A158 HydrophobicContact CB-CB 4.41Å; G154-A158 PolarHBondContact O-N 3Å; L155-A158 WeakPolarHBondContact O-CA 3.49Å; L155-A158 WeakPolarHBondContact O-CB 3.29Å; L155-A158 PolarHBondContact O-N 2.74Å; A156-A158 VanDerWaalsContact C-N 3.32Å; A158-Q160 PolarHBondContact O-N 2.89Å
159Q74.9Confident66.5Low113 Ų11399.8 Ų99.853%0.52855%0.554SS.*Hα-helixtrans-77.4-15.7-173.3-71.1179.6-43.600115.2L155 E161 D162L155-Q159 HydrophobicContact CD1-CG 4.23Å; L155-Q159 HydrophobicContact CG-CG 4.39Å; L155-Q159 PolarHBondContact O-N 3.22Å; Q159-E161 PolarHBondContact O-N 3.15Å; Q159-D162 PolarHBondContact O-N 3.17Å
160Q64.8Low64.1Low113 Ų113102.8 Ų102.853%0.52857%0.567SS.*THydrogen-bonded Turntrans-64.95.7177-153.5173.813.900113.5R19 A156 A158R19-Q160 PolarHBondContact NH2-O 3.37Å; A156-Q160 PolarHBondContact O-N 3.27Å; A158-Q160 PolarHBondContact O-N 2.89Å
161E54.3Low61.7Low91 Ų91104.3 Ų104.343%0.42557%0.572SS.*THydrogen-bonded Turntrans-86.2-34.3176.2-167.6168.9174.100112.5K33 Q159K33-E161 IonicContact NZ-OE2 2.72Å; K33-E161 PolarHBondContact NZ-OE2 3.15Å; Q159-E161 PolarHBondContact O-N 3.15Å
162D48.3Very low59Low119 Ų119107.6 Ų107.664%0.63660%0.595SS**G310 helixtrans-85.9-27.2-168.6-63-41.9000113.5Q159 V164Q159-D162 PolarHBondContact O-N 3.17Å; D162-V164 VanDerWaalsContact C-N 3.28Å; D162-V164 PolarHBondContact O-N 3.15Å
163S43.5Very low57.1Low112 Ų112112 Ų11278%0.78360%0.604SS**G310 helixtrans-76-11.1-173.8-165.50000114.7
164V50.1Low55.4Low126 Ų126112 Ų11276%0.76461%0.612SS**G310 helixtrans-102.5-7.7-176.6-171.90000112D162D162-V164 VanDerWaalsContact C-N 3.28Å; D162-V164 PolarHBondContact O-N 3.15Å
165R48.7Very low53.8Low224 Ų224116.5 Ų116.585%0.84564%0.641SS**SBendtrans-109.40.4-174.4-80-157.3173.4-152.90.2116.9P167R165-P167 VanDerWaalsContact O-CD 3.23Å; R165-P167 WeakPolarHBondContact O-CD 3.37Å
166E36.8Very low51.9Low165 Ų165119.7 Ų119.777%0.77166%0.655SS**  trans-94.9108.2166.8-72.2-145.114900111.3G168E166-G168 PolarHBondContact O-N 3.42Å; E166-G168 VanDerWaalsContact O-N 3.09Å
167P41.8Very low50.4Low116 Ų116125.3 Ų125.375%0.75367%0.672SS**  trans-65.1107.1152.23.111.8000106.1R165 L169R165-P167 VanDerWaalsContact O-CD 3.23Å; R165-P167 WeakPolarHBondContact O-CD 3.37Å; P167-L169 VanDerWaalsContact C-N 3.34Å; P167-L169 PolarHBondContact O-N 2.98Å
168G42Very low48.5Very low60 Ų60128.6 Ų128.662%0.61970%0.698SS**  trans-55.594.1176.400000111.5E166 T170E166-G168 PolarHBondContact O-N 3.42Å; E166-G168 VanDerWaalsContact O-N 3.09Å; G168-T170 VanDerWaalsContact C-N 3.27Å
169L46.6Very low47.4Very low160 Ų160133 Ų13384%0.83873%0.725SS**  trans-98.356.8153.7-69.5179.6000108P167 V171P167-L169 VanDerWaalsContact C-N 3.34Å; P167-L169 PolarHBondContact O-N 2.98Å; L169-V171 PolarHBondContact O-N 2.77Å
170T43.4Very low45.5Very low120 Ų120132 Ų13274%0.73674%0.735SS**  trans-78.380.1158.8490000107.3G168 S172G168-T170 VanDerWaalsContact C-N 3.27Å; T170-S172 VanDerWaalsContact C-N 3.33Å; T170-S172 PolarHBondContact O-N 3.17Å
171V46.3Very low44.9Very low121 Ų121131.3 Ų131.373%0.73374%0.741SS**  trans-64.7104.6155.2177.90000105L169 Y173L169-V171 PolarHBondContact O-N 2.77Å; V171-Y173 VanDerWaalsContact C-N 3.3Å; V171-Y173 PolarHBondContact O-N 3.34Å
172S35.5Very low44.1Very low115 Ų115134.5 Ų134.580%0.80476%0.755SS**  trans-57.297.6167.6-70.20000108.2T170 E174T170-S172 VanDerWaalsContact C-N 3.33Å; T170-S172 PolarHBondContact O-N 3.17Å; S172-E174 PolarHBondContact O-N 3.31Å; S172-E174 VanDerWaalsContact O-N 3.14Å
173Y43.8Very low43.5Very low205 Ų205136.6 Ų136.680%0.80477%0.766SS**  trans-77.594.7167.3-167.4-100000106.6V171 S175V171-Y173 VanDerWaalsContact C-N 3.3Å; V171-Y173 PolarHBondContact O-N 3.34Å; Y173-S175 PolarHBondContact O-N 3.16Å; Y173-S175 VanDerWaalsContact O-N 3.1Å
174E46.6Very low43.7Very low164 Ų164136.3 Ų136.377%0.76676%0.761SS**  trans-61111.5169.8-159.7175.8169.600107.6S172 M176S172-E174 PolarHBondContact O-N 3.31Å; S172-E174 VanDerWaalsContact O-N 3.14Å; E174-M176 PolarHBondContact O-N 3.01Å
175S45.2Very low42.9Very low109 Ų109139.7 Ų139.776%0.76276%0.761SS**  trans-66.6101.8-177.8-153.60000109Y173 E177Y173-S175 PolarHBondContact O-N 3.16Å; Y173-S175 VanDerWaalsContact O-N 3.1Å; S175-E177 PolarHBondContact O-N 3.47Å
176M40.5Very low42Very low159 Ų159135.4 Ų135.478%0.78375%0.752SS**  trans-77.3104177.8-72.3-70-74.500110.4E174E174-M176 PolarHBondContact O-N 3.01Å
177E46.6Very low41.8Very low179 Ų179135.1 Ų135.184%0.83675%0.751SS**  trans-50.4141.4163.1-174.888.8-134.900112.1S175S175-E177 PolarHBondContact O-N 3.47Å
178S40.5Very low41.8Very low101 Ų101134.7 Ų134.771%0.70675%0.748SS**  trans-162.4154.1163.3-80.40000109.6
179P55.5Low41.3Very low122 Ų122138.5 Ų138.579%0.79275%0.754SS**  cis-138.8173.5-8.936.3-17.1000115
180A35.6Very low40.6Very low90 Ų90135.1 Ų135.174%0.74475%0.749SS**  trans132.7162.5137.100000114.5
181P50.9Low40.1Very low100 Ų100135.2 Ų135.265%0.64975%0.75SS**  -119.7-173.3-77.624.7-5.5000113.7
182H38.3Very low39.4Very low157 Ų157137.4 Ų137.473%0.72776%0.757SS**  trans82.298.2155.752.2-94000123.1
183L36.2Very low39.2Very low164 Ų164135.2 Ų135.286%0.85975%0.752SS**  75.3157.4120.8-88.2171.2000120.3
184P47.4Very low38.6Very low105 Ų105131.7 Ų131.768%0.68276%0.757SS**  -117.4-178.3-110.441.8-28.1000113.5
185Y31.7Very low37.9Very low198 Ų198133.1 Ų133.178%0.77676%0.761SS**  149.8123.6120.7-158.2-113000114.3
186M30.1Very low38.3Very low134 Ų134133 Ų13366%0.6676%0.758SS**  trans67.3118.5148.6-66.3-60.5107.400124.3
187Q33.2Very low37.8Very low159 Ų159130.5 Ų130.574%0.74376%0.763SS**  trans-39.1171.8141.2-66.8-149.3-32.700114.5
188P40.9Very low37.1Very low106 Ų106127.1 Ų127.169%0.68877%0.765SS**  cis-151168.828.538.2-14.5000119.5
189N31.6Very low36.5Very low141 Ų141126.1 Ų126.175%0.75477%0.771SS**  trans26.3130.1140.1-57.6-21.3000120.3
190A31.9Very low35.2Very low88 Ų88124.1 Ų124.173%0.72777%0.773SS**  157.8126.192.400000112
191T33.2Very low35.1Very low122 Ų122127.9 Ų127.975%0.74878%0.78SS**  trans23.9125.1130.6-31.40000119
192L31.7Very low34.6Very low167 Ų167128.3 Ų128.387%0.87478%0.783SS**  164.4131.7113.1-86165.3000110
193G31.8Very low34.5Very low69 Ų69127.5 Ų127.571%0.71178%0.784SS**  trans-82.6172.3-176.900000114.4
194S30.5Very low35Very low131 Ų131125 Ų12592%0.91678%0.777SS**  trans-178.6134.9140.625.40000110.4
195K33.7Very low34.5Very low194 Ų194127.1 Ų127.184%0.84378%0.782SS**  trans-96.3172.3162.2170.4171.1-178.51710106.8
196P51.8Low34.8Very low108 Ų108125.2 Ų125.270%0.70178%0.781SS**  cis-128.7179.4-12.1222000113.5
197A30.2Very low35.1Very low106 Ų106126.4 Ų126.488%0.87679%0.79SS**  169.5154.4121.400000112.3
198A32.4Very low35.5Very low107 Ų107126.5 Ų126.588%0.88479%0.793SS**  trans-85.8163.4-161.700000116
199G28.5Very low35.3Very low81 Ų81129.1 Ų129.184%0.83580%0.801SS**  trans144.2110.2145.800000115.8
200G28Very low35.6Very low80 Ų80130.9 Ų130.983%0.82581%0.805SS**  trans117.398.7138.100000119.1
201D32.8Very low35.6Very low169 Ų169134.4 Ų134.490%0.90481%0.81SS**  trans85.7143.3148.8-102.214.5000123.1
202P40.3Very low35.6Very low108 Ų108135 Ų13570%0.70182%0.818SS**  trans-106.1152.7-148.340.2-32000113.9
203D36.9Very low36.1Very low140 Ų140136.6 Ų136.675%0.74982%0.821SS**  trans-82.1132.3173.5-161.210.1000109.7L205D203-L205 PolarHBondContact O-N 2.97Å
204P46.5Very low36.1Very low111 Ų111141.9 Ų141.972%0.72183%0.827SS**SBendtrans-9271.1-172.936.2-31.9000110.9
205L37.7Very low36.7Very low150 Ų150145.3 Ų145.379%0.78583%0.825SS**  trans-150.955.4171.7-71.3179.9000111.8D203D203-L205 PolarHBondContact O-N 2.97Å
206E36.8Very low36.6Very low159 Ų159142.1 Ų142.174%0.74383%0.825SS**  trans-133.962.2166-85.2-68177.900108.9
207D37.2Very low35.6Very low159 Ų159144.1 Ų144.185%0.8583%0.829SS**SBendtrans-140.813.7178.6-114.4-12.9000113.5
208I41.3Very low36.3Very low161 Ų161147.7 Ų147.783%0.82683%0.828SS**SBendtrans-13828175.7-37.4179.5000112.6
209L37Very low37Very low161 Ų161149.1 Ų149.184%0.84383%0.826SS**SBendtrans-13527.2167.9-73.2178.3000113.1
210E37.3Very low37.7Very low178 Ų178153.7 Ų153.783%0.83283%0.825SS**  trans-133.265.2177.1-160.8166.9-156.100112.6
211L32.1Very low38.4Very low162 Ų162162 Ų16285%0.84883%0.832SS**SBendtrans-152.185.8154.2-77.6-176.3000109.4
212C33.6Very low38.9Very low134 Ų134164 Ų16491%0.90583%0.827SS**SBendtrans174.843.5137.8-99.70000113.1
213E42.5Very low39.3Very low200 Ų200161 Ų16194%0.93582%0.815SS**  trans-13087.4158-74.8-164.9169.400109.3
214Q31.4Very low40.2Very low181 Ų181161.3 Ų161.385%0.84682%0.817SS**  trans-119.3113.5162.4-80.7-179.26.700108.9
215K41.7Very low41Very low203 Ų203158.6 Ų158.688%0.88380%0.803SS**PPolyproline II helixtrans-57139.4157.5-73.9178.2175.5171.30108.7
216P33.1Very low42.5Very low127 Ų127154.2 Ų154.283%0.82579%0.786SS**PPolyproline II helixtrans-86.5128.1157.720.4-6000109.9
217D29.8Very low44.2Very low150 Ų150151.6 Ų151.680%0.80278%0.775SS**PPolyproline II helixtrans-57.8151.1167.3-157.6-2000111.6T219D217-T219 PolarHBondContact O-N 2.85Å; D217-T219 VanDerWaalsContact O-N 3.11Å
218E44.4Very low45.7Very low180 Ų180151 Ų15184%0.84176%0.761SS**SBendtrans-67.4105.6175.4-78.5-174.5133.500109.8
219T47Very low47.3Very low137 Ų137149.3 Ų149.384%0.8475%0.753SS**  trans-170.5135.2137.715.70000109.9D217D217-T219 PolarHBondContact O-N 2.85Å; D217-T219 VanDerWaalsContact O-N 3.11Å
220Q43.2Very low48.6Very low177 Ų177144.1 Ų144.183%0.82773%0.73SS**  trans88.374176.8-141.9147.729.300115.8R222Q220-R222 PolarHBondContact O-N 3.49Å
221R43.8Very low50.2Low256 Ų256142.6 Ų142.697%0.96672%0.723SS**  trans-57.499.9159.2-85.7-152.8177.9-144.92.8109.7
222R43.7Very low52.1Low211 Ų211142.9 Ų142.980%0.79671%0.713SS**  trans-93.8116.6161.7-174.7179.2-71.9-101.32.2106.6Q220 N224Q220-R222 PolarHBondContact O-N 3.49Å; R222-N224 PolarHBondContact O-N 3.44Å; R222-N224 VanDerWaalsContact O-N 3.16Å
223G47.6Very low53.1Low44 Ų44142.9 Ų142.945%0.45471%0.714SS.*  trans-53.5117-177.600000111.6
224N55.6Low54.4Low147 Ų147139.5 Ų139.579%0.78670%0.702SS**  trans-90.1103.8176.328.9-20.2000107.8R222 S226R222-N224 PolarHBondContact O-N 3.44Å; R222-N224 VanDerWaalsContact O-N 3.16Å; N224-S226 PolarHBondContact O-N 3.15Å
225A64.7Low55.5Low53 Ų53137.6 Ų137.644%0.43869%0.687SS.*  trans-59.9124.417200000109.5E241 D242A225-E241 CarbonylContact C-O 3.54Å; A225-E241 VanDerWaalsContact CA-O 3.27Å; A225-E241 WeakPolarHBondContact CA-O 3.37Å; A225-D242 HydrophobicContact CB-CB 3.92Å; A225-D242 WeakPolarHBondContact CB-OD1 3.38Å
226S67.9Low56.6Low59 Ų59133.9 Ų133.941%0.41368%0.676SS.*EExtended strand (participates in β ladder)trans-115.5139.4175.9-169.70000109.7N224 V240 E241N224-S226 PolarHBondContact O-N 3.15Å; S226-V240 CarbonylContact O-C 3.59Å; S226-E241 PolarHBondContact N-O 3.3Å; S226-E241 PolarHBondContact O-N 3.21Å
227I72.4Confident58.4Low103 Ų103132.7 Ų132.753%0.52866%0.66SS.*EExtended strand (participates in β ladder)trans-115.1123.3176.8-53-175.1000108.4I229 V239 V240I227-I229 HydrophobicContact CG2-CG1 4.23Å; I227-V239 WeakPolarHBondContact CA-O 3.27Å; I227-V240 HydrophobicContact CD1-CG2 4.05Å; I227-V240 HydrophobicContact CG1-CB 4.4Å; I227-V240 HydrophobicContact CG1-CG1 4.14Å; I227-V240 HydrophobicContact CG1-CG2 3.94Å; I227-V240 HydrophobicContact CG2-CG2 4.19Å
228R70.3Confident60.5Low147 Ų147127.4 Ų127.456%0.55564%0.637SS**EExtended strand (participates in β ladder)trans-108.6128.2173.5-63.1-165.5-66.2-160.53.5109.6A238 V239 E241R228-A238 CarbonylContact O-C 3.56Å; R228-A238 WeakPolarHBondContact O-CA 3.42Å; R228-V239 PolarHBondContact N-O 3.32Å; R228-V239 PolarHBondContact O-N 3.32Å; R228-E241 IonicContact CZ-OE1 2.8Å; R228-E241 IonicContact NE-OE1 3.76Å; R228-E241 IonicContact NH1-OE1 3.67Å; R228-E241 IonicContact NH2-OE1 3.81Å; R228-E241 PolarHBondContact NH2-OE1 3.08Å
229I74.9Confident61.8Low125 Ų125121.5 Ų121.564%0.64161%0.613SS**EExtended strand (participates in β ladder)trans-114.6127.6177.5-55.1175.5000108I227 L236 E237 A238I227-I229 HydrophobicContact CG2-CG1 4.23Å; I229-L236 HydrophobicContact CG2-CD1 4.07Å; I229-E237 CarbonylContact C-O 3.57Å; I229-E237 WeakPolarHBondContact CA-O 3.47Å; I229-A238 HydrophobicContact CG1-CB 4.32Å
230S64.3Low62.9Low52 Ų52117.2 Ų117.236%0.36459%0.587SS.*EExtended strand (participates in β ladder)trans-129132.1179.31730000108.9E237S230-E237 PolarHBondContact N-O 3.46Å; S230-E237 PolarHBondContact O-N 3.24Å
231Q69.4Low64.2Low146 Ų146112.9 Ų112.968%0.68257%0.567SS**EExtended strand (participates in β ladder)trans-116.6124.3178.8-169.5177.422.200109.6L236Q231-L236 HydrophobicContact CB-CD1 3.93Å; Q231-L236 HydrophobicContact CG-CD1 4Å
232R72.7Confident65.2Low169 Ų169103.1 Ų103.164%0.63853%0.533SS*.EExtended strand (participates in β ladder)trans-111.6164.6168.9-61-174.8-176.5178.44.9108.8D234 R235R232-D234 PolarHBondContact O-N 3.44Å; R232-R235 PolarHBondContact N-O 3.21Å; R232-R235 PolarHBondContact O-N 2.71Å; R232-R235 VanDerWaalsContact O-N 3.14Å; R232-R235 VanDerWaalsContact O-O 3.11Å
233S54.9Low65.7Low133 Ų13397.3 Ų97.393%0.9353%0.531SS*.THydrogen-bonded Turntrans-51.3-24.2-17240.40000115.5
234D69.7Low66.2Low130 Ų13097.5 Ų97.570%0.69553%0.533SS*.THydrogen-bonded Turntrans-129.9-0.3-176.262.8-30.5000113.3R232R232-D234 PolarHBondContact O-N 3.44Å
235R54.2Low66.2Low140 Ų14097.1 Ų97.153%0.52854%0.541SS..EExtended strand (participates in β ladder)trans-147.9135.4-171.2-60.1-176.885177.42.6112.7R232R232-R235 PolarHBondContact N-O 3.21Å; R232-R235 PolarHBondContact O-N 2.71Å; R232-R235 VanDerWaalsContact O-N 3.14Å; R232-R235 VanDerWaalsContact O-O 3.11Å
236L64.7Low65.9Low125 Ų12599 Ų9965%0.65455%0.547SS*.EExtended strand (participates in β ladder)trans-105.5125.1167.8-171.372.6000108.6I229 Q231I229-L236 HydrophobicContact CG2-CD1 4.07Å; Q231-L236 HydrophobicContact CB-CD1 3.93Å; Q231-L236 HydrophobicContact CG-CD1 4Å
237E71.3Confident65.4Low102 Ų102106.7 Ų106.748%0.47757%0.568SS.*EExtended strand (participates in β ladder)trans-120.6125.9-177.8-174.4177-163.700109.4I229 S230 V239I229-E237 CarbonylContact C-O 3.57Å; I229-E237 WeakPolarHBondContact CA-O 3.47Å; S230-E237 PolarHBondContact N-O 3.46Å; S230-E237 PolarHBondContact O-N 3.24Å; E237-V239 HydrophobicContact CG-CG2 4.07Å
238A73.3Confident64.6Low39 Ų39104.1 Ų104.132%0.32256%0.562SS.*EExtended strand (participates in β ladder)trans-122.9117.1174.400000109.1R228 I229 F250R228-A238 CarbonylContact O-C 3.56Å; R228-A238 WeakPolarHBondContact O-CA 3.42Å; I229-A238 HydrophobicContact CG1-CB 4.32Å; A238-F250 HydrophobicContact CB-CE1 3.59Å; A238-F250 HydrophobicContact CB-CZ 3.92Å
239V72.9Confident63.9Low56 Ų56100.4 Ų100.434%0.33956%0.558SS.*EExtended strand (participates in β ladder)trans-110.3115.3-178.7-176.20000108.1I227 R228 E237 E241I227-V239 WeakPolarHBondContact CA-O 3.27Å; R228-V239 PolarHBondContact N-O 3.32Å; R228-V239 PolarHBondContact O-N 3.32Å; E237-V239 HydrophobicContact CG-CG2 4.07Å; V239-E241 HydrophobicContact CG1-CG 4.18Å
240V69.3Low63.2Low47 Ų47101.1 Ų101.129%0.28556%0.557SS.*EExtended strand (participates in β ladder)trans-94.5110.4173.3-176.80000107.7S226 I227 D242 A248S226-V240 CarbonylContact O-C 3.59Å; I227-V240 HydrophobicContact CD1-CG2 4.05Å; I227-V240 HydrophobicContact CG1-CB 4.4Å; I227-V240 HydrophobicContact CG1-CG1 4.14Å; I227-V240 HydrophobicContact CG1-CG2 3.94Å; I227-V240 HydrophobicContact CG2-CG2 4.19Å; V240-D242 HydrophobicContact CG1-CB 4.34Å; V240-D242 PolarHBondContact O-N 3.41Å; V240-A248 HydrophobicContact CG2-CB 4.04Å
241E70.9Confident62.8Low87 Ų87108.4 Ų108.441%0.40758%0.578SS.*EExtended strand (participates in β ladder)trans-92.393.6173-63.9-175.8167.400107.7A225 S226 R228 V239A225-E241 CarbonylContact C-O 3.54Å; A225-E241 VanDerWaalsContact CA-O 3.27Å; A225-E241 WeakPolarHBondContact CA-O 3.37Å; S226-E241 PolarHBondContact N-O 3.3Å; S226-E241 PolarHBondContact O-N 3.21Å; R228-E241 IonicContact CZ-OE1 2.8Å; R228-E241 IonicContact NE-OE1 3.76Å; R228-E241 IonicContact NH1-OE1 3.67Å; R228-E241 IonicContact NH2-OE1 3.81Å; R228-E241 PolarHBondContact NH2-OE1 3.08Å; V239-E241 HydrophobicContact CG1-CG 4.18Å
242D65.3Low61.9Low50 Ų50108.9 Ų108.927%0.26759%0.59SS.*  trans-115.1146175-170.623000111.8A225 V240 G244 T246A225-D242 HydrophobicContact CB-CB 3.92Å; A225-D242 WeakPolarHBondContact CB-OD1 3.38Å; V240-D242 HydrophobicContact CG1-CB 4.34Å; V240-D242 PolarHBondContact O-N 3.41Å; D242-G244 VanDerWaalsContact C-N 3.35Å; D242-G244 PolarHBondContact OD1-N 3.41Å; D242-G244 PolarHBondContact OD2-N 3.33Å; D242-T246 WeakPolarHBondContact OD2-CB 2.97Å; D242-T246 PolarHBondContact OD2-N 3.45Å; D242-T246 VanDerWaalsContact OD2-N 3.16Å; D242-T246 PolarHBondContact OD2-OG1 3.14Å
243A54.1Low60.9Low90 Ų90103.9 Ų103.974%0.74459%0.591SS**SBendtrans-99.529.8172.500000111.8
244G58.3Low60.4Low48 Ų48106.8 Ų106.850%0.49559%0.59SS.*SBendtrans-169-179.6-17800000113.1D242 T246D242-G244 VanDerWaalsContact C-N 3.35Å; D242-G244 PolarHBondContact OD1-N 3.41Å; D242-G244 PolarHBondContact OD2-N 3.33Å; G244-T246 VanDerWaalsContact C-N 3.26Å; G244-T246 PolarHBondContact O-N 2.92Å
245S55.8Low59.2Low138 Ų138107.6 Ų107.697%0.96559%0.593SS**  trans-80.459.3-175-51.10000113
246T57.1Low58.8Low92 Ų92108.3 Ų108.356%0.56461%0.607SS**  trans-85.6124.5175.1-56.20000111.2D242 G244D242-T246 WeakPolarHBondContact OD2-CB 2.97Å; D242-T246 PolarHBondContact OD2-N 3.45Å; D242-T246 VanDerWaalsContact OD2-N 3.16Å; D242-T246 PolarHBondContact OD2-OG1 3.14Å; G244-T246 VanDerWaalsContact C-N 3.26Å; G244-T246 PolarHBondContact O-N 2.92Å
247R57.1Low58.1Low222 Ų222109.5 Ų109.584%0.83861%0.613SS**  trans-84.6114.7175.6-167.817784.8-171.86.3109.8
248A55.5Low56.7Low49 Ų49111.3 Ų111.341%0.40563%0.626SS.*  trans-89.8145.117000000110.7V240 F250V240-A248 HydrophobicContact CG2-CB 4.04Å; A248-F250 HydrophobicContact CB-CE2 4.18Å; A248-F250 HydrophobicContact CB-CZ 4.36Å
249S57.1Low55.4Low69 Ų69115.5 Ų115.548%0.48365%0.654SS.*  trans-136.7131.7175.8-58.30000109.2
250F58.9Low53.7Low139 Ų139116 Ų11661%0.6167%0.67SS**  trans-113.8137-177.6-57.9-87.1000109.2A238 A248A238-F250 HydrophobicContact CB-CE1 3.59Å; A238-F250 HydrophobicContact CB-CZ 3.92Å; A248-F250 HydrophobicContact CB-CE2 4.18Å; A248-F250 HydrophobicContact CB-CZ 4.36Å
251Y56Low52.3Low205 Ų205119.2 Ų119.280%0.80470%0.695SS**  trans-118.1133.4175.9-61.7-86.3000108.9
252V51Low50.4Low156 Ų156122.6 Ų122.695%0.94572%0.715SS**  trans-121.8104.4174179.60000106.9
253G52Low48.7Very low64 Ų64125.2 Ų125.266%0.6674%0.737SS**SBendtrans162.3163.2-176.900000111.7I255G253-I255 PolarHBondContact O-N 2.83Å
254E44.5Very low48.1Very low195 Ų195127.3 Ų127.391%0.91174%0.743SS**  trans-68.6123.8175.9-63.2-164.7163.200110.1L256E254-L256 PolarHBondContact O-N 2.84Å
255I44.1Very low47.3Very low146 Ų146129.5 Ų129.575%0.74975%0.75SS**  trans-78.4109.1169.9-59.2171.1000105.5G253 D257G253-I255 PolarHBondContact O-N 2.83Å; I255-D257 PolarHBondContact O-N 2.83Å
256L46.6Very low46.4Very low156 Ų156131.9 Ų131.982%0.81775%0.746SS**  trans-79.1104.4167.1-155.382.4000107.2E254 D258E254-L256 PolarHBondContact O-N 2.84Å; L256-D258 PolarHBondContact O-N 3.36Å
257D49.1Very low45.7Very low149 Ų149136.6 Ų136.680%0.79776%0.762SS**  trans-69.5102.7170.429.2-48.2000109.4I255I255-D257 PolarHBondContact O-N 2.83Å
258D41Very low44.5Very low140 Ų140130.8 Ų130.875%0.74976%0.755SS**  trans-140130.2161.5-151.94.5000112.3L256L256-D258 PolarHBondContact O-N 3.36Å
259S47.3Very low43.5Very low128 Ų128134.2 Ų134.290%0.89578%0.775SS**  trans-104.297.4174.3-64.90000108
260G36.1Very low42.4Very low67 Ų67135.7 Ų135.769%0.69178%0.78SS**  trans175.8100.7174.700000113.1L262G260-L262 PolarHBondContact O-N 2.89Å
261S39.9Very low41.1Very low114 Ų114136.4 Ų136.480%0.79779%0.789SS**  trans-57.4125173165.20000111.9
262L31.3Very low40Very low158 Ų158134.6 Ų134.683%0.82779%0.788SS**  173.8133.9111.4-86.2176.2000115G260G260-L262 PolarHBondContact O-N 2.89Å
263S30.4Very low39.1Very low104 Ų104132.4 Ų132.473%0.72778%0.775SS**  trans119.2125.614380.60000117S265S263-S265 PolarHBondContact O-N 3.11Å
264P40.5Very low38.1Very low135 Ų135135.3 Ų135.388%0.87778%0.783SS**  trans-95.283.8-175.736.4-29.7000110.8
265S43Very low37.5Very low93 Ų93132 Ų13265%0.6578%0.775SS**  trans-166.680.9159.155.80000109.8S263S263-S265 PolarHBondContact O-N 3.11Å
266E36.1Very low37.2Very low188 Ų188133.3 Ų133.388%0.87978%0.778SS**SBendtrans-163134.2154.9-107.2157.5-146.600109.8S268E266-S268 PolarHBondContact O-N 2.82Å; E266-S268 VanDerWaalsContact O-N 3.11Å
267H42.3Very low36.5Very low192 Ų192131.9 Ų131.989%0.88978%0.776SS**  trans-77.597.6-159-59.1-91.8000111.8
268S31.8Very low35.8Very low99 Ų99132.9 Ų132.969%0.69278%0.775SS**  trans-92.1111.7159.6171.80000108.5E266 V270E266-S268 PolarHBondContact O-N 2.82Å; E266-S268 VanDerWaalsContact O-N 3.11Å; S268-V270 VanDerWaalsContact C-N 3.3Å; S268-V270 PolarHBondContact O-N 2.59Å
269C34.8Very low35.4Very low122 Ų122131.9 Ų131.982%0.82478%0.779SS**  trans-69.886.9174.9-59.20000109.5I271C269-I271 PolarHBondContact O-N 2.88Å
270V33.1Very low34.9Very low99 Ų99132 Ų13260%0.678%0.777SS**  trans-79.8105.8170.8-172.60000108.2S268 Q272S268-V270 VanDerWaalsContact C-N 3.3Å; S268-V270 PolarHBondContact O-N 2.59Å; V270-Q272 HydrophobicContact CG1-CG 3.68Å; V270-Q272 PolarHBondContact O-N 2.85Å
271I32.1Very low34.6Very low154 Ų154137.9 Ų137.979%0.7979%0.789SS**  trans-76.8101167.8-57.4176.2000107.1C269 T273C269-I271 PolarHBondContact O-N 2.88Å; I271-T273 HydrophobicContact CG2-CG2 4.42Å
272Q32.4Very low34.4Very low167 Ų167140.9 Ų140.978%0.7879%0.79SS**  trans-98110.9167.8-66.6-173.51.700109V270V270-Q272 HydrophobicContact CG1-CG 3.68Å; V270-Q272 PolarHBondContact O-N 2.85Å
273T31.8Very low34.4Very low110 Ų110140.4 Ų140.468%0.67579%0.794SS**  trans-103.1113.5163.747.70000108.7I271I271-T273 HydrophobicContact CG2-CG2 4.42Å
274P31.2Very low34.4Very low126 Ų126138.7 Ų138.782%0.81879%0.793SS**  trans-72.9131.6172.528.6-30.3000109.5
275V33.3Very low33.9Very low125 Ų125140.8 Ų140.876%0.75879%0.789SS**  trans-114.6112172-179.70000107.6V277V275-V277 HydrophobicContact CG1-CG2 4.37Å
276E36.7Very low33.4Very low173 Ų173144.4 Ų144.481%0.80880%0.795SS**  trans-83136.9170.4-75.8178.6153.100109.8
277V32.8Very low33Very low127 Ų127142.1 Ų142.177%0.7779%0.789SS**  trans-124.5110.8-179.9-164.20000108.5V275V275-V277 HydrophobicContact CG1-CG2 4.37Å
278H33.5Very low32.4Very low169 Ų169138.2 Ų138.278%0.78278%0.783SS**PPolyproline II helixtrans-97.7133.7171.4-76.3-77.8000110.2
279S33.9Very low32.2Very low120 Ų120136.5 Ų136.584%0.83978%0.781SS**PPolyproline II helixtrans-90.4130.5171.3-62.10000110
280P36.7Very low32.1Very low130 Ų130140.1 Ų140.184%0.84479%0.786SS**PPolyproline II helixtrans-95.5136.8176.733.9-27.3000111.6
281M29.3Very low31.9Very low191 Ų191141.3 Ų141.394%0.94179%0.789SS**PPolyproline II helixtrans-103141.1165-175.1143.6159.700108.6
282E34.5Very low31.9Very low177 Ų177142 Ų14283%0.82779%0.786SS**PPolyproline II helixtrans-56154.3-173.1-79.4-174132.900116.5
283T33.1Very low31.7Very low148 Ų148139.1 Ų139.191%0.90878%0.78SS**  trans154.6136.9136.446.50000106
284G29.7Very low31.7Very low68 Ų68142.2 Ų142.270%0.70178%0.784SS**  cis150.9140.810.500000106.2
285F29.6Very low31.6Very low179 Ų179142.3 Ų142.379%0.78577%0.774SS**  trans82.3122.5155.6-97.5-115.7000123.2
286E33.1Very low31.5Very low169 Ų169145.3 Ų145.379%0.7977%0.772SS**  trans57.6152.1137-66.2-177162.100120.7
287D28.3Very low31.2Very low140 Ų140145.3 Ų145.375%0.74977%0.769SS**  cis179.6157.2-12.2170.438.2000105.1
288S29.7Very low30.9Very low109 Ų109146 Ų14676%0.76277%0.769SS**  trans65.6144.3162.6760000118
289G27.6Very low30.9Very low63 Ų63142.2 Ų142.265%0.64976%0.761SS**  cis164.8159.35.900000108.4
290E31.8Very low30.8Very low199 Ų199144.4 Ų144.493%0.9376%0.758SS**  trans66152.7156.8-59.3-172.9153.400118.8
291D29.8Very low30.5Very low123 Ų123142.9 Ų142.966%0.65875%0.75SS**  cis-176.1161.2-17.9177.920.1000104.8
292K30.9Very low30.7Very low168 Ų168141.6 Ų141.673%0.7374%0.742SS**  trans102.2100.2152.3-58.9-164.2172.7150.70123.2
293T27.8Very low30.6Very low108 Ų108139.3 Ų139.366%0.66373%0.734SS**  51.5120106-15.20000120.5
294K31.8Very low30.3Very low174 Ų174138.6 Ų138.676%0.75773%0.725SS**  168.5120.3105.5-93.6176.4178.9173.10110.5
295E29.2Very low30.3Very low129 Ų129141.6 Ų141.660%0.60373%0.729SS**  57.9126.2101.7-90.1-161.6124.900113
296R31.8Very low30.4Very low187 Ų187137.2 Ų137.271%0.70673%0.726SS**  cis179.1151.947.1-123.2168.1-171.2152.211.9112.4
297K29.7Very low30.2Very low173 Ų173134.5 Ų134.575%0.75273%0.726SS**  trans68.3114.6145.5-82.1179.6170.6-1770119.7
298N27.7Very low30.3Very low143 Ų143132 Ų13277%0.76573%0.725SS**  70.8136.284.2-9137.4000112.1
299S32.6Very low30.3Very low89 Ų89132.7 Ų132.762%0.62272%0.724SS**  cis-176.215027.633.80000111.1
300E31.8Very low30.5Very low166 Ų166135.8 Ų135.878%0.77673%0.726SS**  trans62.9119.6134.7-71.8170.1105.600121
301S31.6Very low30.5Very low98 Ų98132.4 Ų132.469%0.68571%0.714SS**  94.6148.392.673.70000110.7
302E33Very low30.5Very low163 Ų163132.9 Ų132.976%0.76272%0.717SS**  cis-175.81460.1-117.5-170.914600105.7
303I31.4Very low30.4Very low130 Ų130131.8 Ų131.867%0.66772%0.718SS**  trans30.1141.6144.928176.8000126.2
304D28.1Very low30.4Very low133 Ų133132.4 Ų132.471%0.71172%0.721SS**  trans105.1111.6132.2-74-18.5000124.6
305V28.9Very low30.2Very low130 Ų130132.6 Ų132.679%0.78872%0.724SS**  60.1117.5119.5-1780000122.3
306A31.1Very low30.1Very low87 Ų87132.6 Ų132.672%0.71973%0.733SS**  141.4135.3118.800000118.9
307S28.9Very low30Very low113 Ų113129.9 Ų129.979%0.7974%0.737SS**  trans74.8124.2139.287.40000124.9
308A31.5Very low29.9Very low88 Ų88130.4 Ų130.473%0.72774%0.742SS**  trans41139.1133.700000119.9
309T30.5Very low30Very low122 Ų122129.6 Ų129.675%0.74875%0.747SS**  -175.4161.451.2-32.90000109.7
310D30.3Very low29.9Very low128 Ų128134 Ų13468%0.68476%0.763SS**  trans88.5108.9148.4-82.2-11000123.9
311N32.8Very low29.7Very low129 Ų129131.1 Ų131.169%0.6976%0.762SS**  87.3133119.4-62-26.7000124.7
312N29.9Very low29.6Very low132 Ų132135.4 Ų135.471%0.70677%0.771SS**  trans91.3109.3153.5-81.4-8.6000120
313I29Very low29.5Very low146 Ų146135.1 Ų135.175%0.74977%0.771SS**  82.2120.679.6-82-175.2000109.7
314V26.3Very low30Very low120 Ų120134.6 Ų134.673%0.72778%0.776SS**  cis-152.9143.118.8176.60000110.1V316V314-V316 HydrophobicContact CG1-CG2 4.41Å
315E27.7Very low30.2Very low178 Ų178137.4 Ų137.483%0.83279%0.785SS**  trans-91.3138156.3-82.9-170.2143.900110.4
316V27.3Very low30.3Very low129 Ų129134.5 Ų134.578%0.78278%0.782SS**  trans-104113.1167175.80000108.5V314V314-V316 HydrophobicContact CG1-CG2 4.41Å
317V30.1Very low30.3Very low130 Ų130141.7 Ų141.779%0.78879%0.79SS**  trans-103.7129.5164-105.30000107.4
318E28.3Very low30.4Very low184 Ų184143.6 Ų143.686%0.8679%0.791SS**  trans-108.2126165.3-93.3-173.5150.600109.5
319S28.3Very low30.3Very low126 Ų126143.8 Ų143.888%0.88179%0.792SS**  trans-148.3146.2159.1-76.60000109.6
320L31.1Very low30.4Very low181 Ų181146.6 Ų146.695%0.94880%0.797SS**  trans-71.6149.4-164.6-64.3154.7000114.5
321S27.5Very low30.6Very low107 Ų107148.3 Ų148.375%0.74880%0.804SS**  trans-159.2139.4160.875.70000104.8
322E28.9Very low30.4Very low187 Ų187150 Ų15087%0.87481%0.808SS**  cis-166.4157.739.4-102.4166.8166.600109
323M30.9Very low30.4Very low158 Ų158150.5 Ų150.578%0.77882%0.816SS**  trans-87.6171.8166.7-82.5-67.6-52.900111.7
324P42.7Very low30.3Very low118 Ų118147.2 Ų147.277%0.76682%0.818SS**  -136.4145.1122.534.4-21.3000115.7
325E33.5Very low30.5Very low192 Ų192145 Ų14590%0.89782%0.82SS**  trans-77.1165.1156.8-59.4179.8132.900110
326G28.9Very low31Very low70 Ų70145.5 Ų145.572%0.72282%0.819SS**  cis171.3169.74.600000111.6
327R32.2Very low31.4Very low238 Ų238149.6 Ų149.690%0.89882%0.821SS**  trans51.8133139-118.1-178.8179.6169.2-0.4120.2
328L30.6Very low31.5Very low153 Ų153146.5 Ų146.580%0.80182%0.815SS**  -171.4161.456-81.5159.5000107.2
329A28.8Very low32Very low92 Ų92144.4 Ų144.476%0.7681%0.809SS**  -170.6150.551.300000112.4
330E34.3Very low32.4Very low180 Ų180145.6 Ų145.684%0.84180%0.801SS**  trans-74.1150.3150.9-65.2171.8134.700109.5
331I32.8Very low32.6Very low164 Ų164141.2 Ų141.284%0.84179%0.786SS**  trans-178.9142.4134.8-87.2152000109.9
332E29.8Very low32.8Very low165 Ų165142.9 Ų142.977%0.77179%0.786SS**  trans-58.9175.7-177.6-57.6168.6119.800117.8
333T30Very low32.9Very low143 Ų143142.3 Ų142.388%0.87778%0.783SS**  trans84.5129.3159.775.30000115.7
334G27.3Very low33Very low77 Ų77138.8 Ų138.879%0.79478%0.78SS**  cis164.8134.91.200000109.1
335G30Very low33.5Very low74 Ų74138 Ų13876%0.76378%0.775SS**  trans96.9126.3134.200000120.8
336K36.8Very low33.3Very low187 Ų187136 Ų13681%0.81377%0.769SS**  trans84128.3145-76.4166.5168.2167.40116.7
337R36.3Very low33.2Very low216 Ų216140.7 Ų140.782%0.81577%0.772SS**  cis-155132.721.7-111.8165.4-82.7-137.3-0.2105.7
338G33.1Very low33.1Very low64 Ų64134.7 Ų134.766%0.6677%0.767SS**  96.6139.877.200000106.7
339D37.5Very low32.9Very low140 Ų140130.7 Ų130.775%0.74976%0.762SS**  cis-177.8156.311.1-90.3-31.5000101.6
340E37.3Very low33.1Very low152 Ų152130.8 Ų130.871%0.7176%0.763SS**  cis-176.5142.76.8-120172.6132.200106.1
341S34.8Very low32.9Very low89 Ų89131.7 Ų131.762%0.62277%0.768SS**  69147.4129.577.40000120.3
342N31.2Very low32.8Very low141 Ų141127.9 Ų127.975%0.75476%0.761SS**  cis-173.2139.5-4.3-106.6-7.6000106.4
343E31.6Very low32.9Very low175 Ų175128.8 Ų128.882%0.81877%0.765SS**  94.6140.7110.1-75.2-94136.300115.2
344A33.1Very low33Very low85 Ų85125.8 Ų125.870%0.70275%0.75SS**  trans-84.7-150178.300000110
345P54Low33.3Very low101 Ų101130.7 Ų130.766%0.65675%0.752SS**  cis-132.3-171-3525.6-1.6000111.7
346L28.7Very low33.3Very low151 Ų151133.7 Ų133.779%0.79175%0.75SS**  trans89.7132.4152.1-54.4177.6000122.3
347E26.6Very low33.2Very low168 Ų168129.6 Ų129.679%0.78574%0.741SS**  trans67.4125.1134.5-77.5-161.4139.500124.3
348S30Very low33Very low111 Ų111127 Ų12778%0.77674%0.744SS**  83.6137.7128.577.90000120.5
349G25.8Very low33Very low69 Ų69127 Ų12771%0.71174%0.743SS**  95.895125.300000117.6
350A33.2Very low32.7Very low94 Ų94129.7 Ų129.778%0.77775%0.751SS**  trans19.5130.2137.700000119.7
351Q29.7Very low32.6Very low200 Ų200127.3 Ų127.394%0.93575%0.751SS**  -173.7149110-101.9-175.3-67.800112.2
352A31.8Very low32.5Very low84 Ų84131.9 Ų131.969%0.69476%0.763SS**  trans-90175.7-176.200000113.2
353E31.6Very low32.6Very low183 Ų183128.9 Ų128.986%0.85576%0.757SS**  trans81.2133.4163.5-65.4-170.59000116.4
354S32.2Very low32.6Very low81 Ų81127.6 Ų127.657%0.56676%0.756SS**  cis-171.9156.313.6-114.10000111.1
355Q33.9Very low32.7Very low180 Ų180131.7 Ų131.784%0.84177%0.766SS**  trans74.9133.9151.1-68.61752.800117.8
356N30.2Very low31.8Very low136 Ų136131.4 Ų131.473%0.72777%0.766SS**  cis-170.7158.920.2-157.55.5000112.2
357V33.8Very low32.1Very low102 Ų102131.1 Ų131.162%0.61877%0.765SS**  trans66.3108.9153.2-85.10000124.4
358N32.1Very low32.5Very low162 Ų162127.3 Ų127.387%0.86676%0.757SS**  104121.9116.8-80.32.1000122.3
359G33.9Very low32.8Very low63 Ų63132.3 Ų132.365%0.64976%0.759SS**  trans120.377.5159.400000113.1
360E31.2Very low33.2Very low197 Ų197141 Ų14192%0.92177%0.77SS**  51126.993.4-61.6-173.6122.300113.7
361S35.4Very low33.3Very low102 Ų102143.6 Ų143.671%0.71377%0.766SS**  cis-170.5143.50.254.40000109
362E33.5Very low33.7Very low184 Ų184142.1 Ų142.186%0.8676%0.763SS**  39.8146.8128.4-56-80125.300120.1
363A32.4Very low33.6Very low78 Ų78145.4 Ų145.465%0.64576%0.764SS**  cis-170.7153.7-5.500000106.8
364D30.9Very low33.7Very low148 Ų148147.8 Ų147.879%0.79177%0.765SS**  trans34.6126.2133.1-146.614000120.4
365L35.2Very low33.8Very low172 Ų172151 Ų15190%0.90177%0.771SS**  trans-159.5129.7142.8-89.7-167.3000112.8
366S34.9Very low34Very low94 Ų94151 Ų15166%0.65777%0.771SS**  trans-75.9165.4171.652.60000115.1
367D35.6Very low34Very low146 Ų146151.3 Ų151.378%0.78178%0.778SS**  trans97.2135.8134.2-136-13.7000122.1
368S35Very low34.3Very low87 Ų87154.4 Ų154.461%0.60879%0.786SS**  trans81.6109144.5-810000123.7
369R37.6Very low34.3Very low216 Ų216154.3 Ų154.382%0.81579%0.785SS**  43.7116106.2-157.4179-159.6-157.84.1117.1
370R34.1Very low34.5Very low251 Ų251160.2 Ų160.295%0.94780%0.796SS**  trans-132.7129.5154.5-78.7-169.2172.4-171.7-2112.3
371Q34.2Very low34.7Very low149 Ų149157.9 Ų157.970%0.69679%0.79SS**  trans-99.9148.5171.2-171.2170.90.200107.2
372I38.3Very low34.9Very low170 Ų170164.1 Ų164.187%0.87280%0.797SS**  trans-117.4133.7165.5-65.2179.6000108.1
373H30Very low34.8Very low152 Ų152158.5 Ų158.570%0.70479%0.789SS**  trans-102.3147.1-174.4-132.5-92.2000110.7
374R32.7Very low35.1Very low233 Ų233164 Ų16488%0.87980%0.802SS**  trans-168.595.2145.2-156.8168.3-175.3147.82.2108.9
375E35.5Very low35.3Very low149 Ų149162 Ų16270%0.69680%0.8SS**  52.9102105.5-71.6-176.8171.700114
376E37.6Very low35.8Very low179 Ų179160.8 Ų160.884%0.83679%0.794SS**  81.5120.579.8-80.1-170.2-175.900114.4
377T31.1Very low36.2Very low143 Ų143164.2 Ų164.288%0.87780%0.799SS**  -175.2145.8121.837.10000111.5
378E38.7Very low36.6Very low168 Ų168163.5 Ų163.579%0.78580%0.795SS**  trans-66.2159.2-172.3-59.6151.4133.800115.5
379N32.9Very low37.1Very low159 Ų159165.1 Ų165.185%0.8581%0.807SS**  -179.5142.8113.9-86.8-49.1000112.5
380E38.5Very low37.2Very low187 Ų187165.5 Ų165.587%0.87481%0.808SS**  trans-62.5155.1174.2-59.5167122.600113
381D35.6Very low37.4Very low148 Ų148159.6 Ų159.679%0.79181%0.805SS**  170.5157.8111.3-160.518.8000112.4
382R39Very low37.5Very low233 Ų233160.1 Ų160.188%0.87981%0.812SS**  trans-66.8169.5-169.5-66.1157.6152.5-172.4-6.9117.9
383G32.1Very low37.1Very low67 Ų67159.6 Ų159.669%0.69181%0.81SS**  trans112.4108.1143.300000114.1
384E38.4Very low37.3Very low193 Ų193158.3 Ų158.390%0.90282%0.818SS**  81138.583.7-81.3-170.2168.600115.7
385S34.8Very low37.6Very low107 Ų107151.2 Ų151.275%0.74880%0.804SS**  trans86.9106.6155.870.80000121.1
386D45.9Very low37.9Very low145 Ų145151.5 Ų151.578%0.77581%0.811SS**  31.8144.5117.1-52.3-38.7000123.3
387E43Very low38Very low166 Ų166152 Ų15278%0.77681%0.813SS**  trans119136.3139-64.9-54152.500120.1
388D43.7Very low38.1Very low131 Ų131149 Ų14970%0.70180%0.798SS**  trans-47.2151.8174.7-92.3-45000116.1
389S44.5Very low38Very low121 Ų121147.8 Ų147.885%0.84680%0.795SS**  -169121.5130-83.50000113.2
390R40.5Very low38Very low225 Ų225146.2 Ų146.285%0.84979%0.786SS**  trans-66.2150.8160.7-64.1173.4159.8114.2-2.9110.7
391S37.6Very low37.7Very low126 Ų126147.4 Ų147.488%0.88178%0.782SS**  174.7154119.6-78.30000114
392L37.2Very low37.3Very low160 Ų160144.8 Ų144.884%0.83878%0.775SS**  trans-85177.6-166.4-61.9162.3000114.5
393L30.8Very low37.1Very low160 Ų160137.7 Ų137.784%0.83876%0.761SS**  trans98.6116.7151.9-62.3163.2000117.1
394S34.1Very low37.3Very low125 Ų125142.6 Ų142.687%0.87477%0.766SS**  -159.3132.3121.2-167.90000111.2
395S38.7Very low37.3Very low83 Ų83141.5 Ų141.558%0.5876%0.76SS**  trans-100.2146.9-177.6-59.70000111.1
396N42.3Very low37.4Very low155 Ų155145.3 Ų145.383%0.82977%0.766SS**  trans62.9155.5137.8-58.9-15.3000122.8
397E39.6Very low36.9Very low190 Ų190143.4 Ų143.489%0.88877%0.765SS**  trans94.6137.3152-152.3174.817700115.7
398S32.1Very low36.4Very low81 Ų81143.7 Ų143.757%0.56677%0.771SS**  cis-172.2135.7-11.6166.70000108
399I37.7Very low36Very low141 Ų141140.6 Ų140.672%0.72377%0.769SS**  trans28.9136.8130.6-33.1172.7000120.8
400I31.9Very low35.8Very low126 Ų126144 Ų14465%0.64677%0.772SS**  trans134.5109.1130-71.3-63.1000115.4
401R31.8Very low36Very low212 Ų212141.9 Ų141.980%0.877%0.771SS**  trans69.7152.8132.7-64.4-155.6-67.9158.1-12.3119.3
402C28.1Very low36.1Very low94 Ų94144.1 Ų144.164%0.63577%0.77SS**  cis-169.3173.76.6-120.40000109.2
403S35Very low36.1Very low84 Ų84143 Ų14359%0.58777%0.765SS**  trans93.2110.5147.7-68.70000118.6
404E36.3Very low36.2Very low170 Ų170141.6 Ų141.679%0.79476%0.758SS**  101138.186-81.9161150.500107.2
405E37.5Very low36.2Very low169 Ų169140.1 Ų140.179%0.7975%0.748SS**  cis-174.7141.245.448.9-15387.600111.9
406E38.2Very low35.8Very low187 Ų187142.1 Ų142.187%0.87476%0.757SS**  trans56.5129.5135.5-57.1-163.6140.300125.7
407S34.3Very low35.2Very low106 Ų106145.6 Ų145.674%0.74176%0.758SS**  168.9119.7107.5-167.60000114.9
408L33.2Very low34.7Very low172 Ų172142.9 Ų142.990%0.90175%0.754SS**  trans31.6139.7141.4-55.9168.4000121.3
409G33.8Very low34.7Very low65 Ų65148.1 Ų148.167%0.6777%0.767SS**  cis172178.96.800000112.6
410E41.1Very low34.2Very low194 Ų194147.2 Ų147.291%0.90777%0.773SS**  trans77.9139.2161.8-53.9-173160.100119.9
411E45.3Very low33.9Very low179 Ų179146.5 Ų146.584%0.83678%0.779SS**  cis-175.9162.2-25.8-97.8-112.914700107.1
412M39.5Very low35.1Very low173 Ų173141.4 Ų141.485%0.85277%0.773SS**  trans116102.1153.2-150.784.495.800119.2
413D37.1Very low35.1Very low137 Ų137143.6 Ų143.673%0.73378%0.779SS**  trans-26.4148152.4-118.3-60.5000118.3
414D31.9Very low34.9Very low131 Ų131147 Ų14770%0.70179%0.785SS**  173.1145.875.6-155.8-14.7000113.6
415S34.3Very low34.5Very low94 Ų94143.8 Ų143.866%0.65778%0.777SS**  trans100.681.1144.7-81.80000122.2
416V31.6Very low34Very low125 Ų125144.3 Ų144.376%0.75878%0.777SS**  57.5101112.6-175.90000120
417R29.9Very low33.4Very low228 Ų228140.9 Ų140.986%0.8676%0.764SS**  53.4126111.3-142.8-177.7-167.4-173.43.9119.4
418V28.6Very low33.1Very low133 Ų133145.5 Ų145.581%0.80677%0.766SS**  179.5141.1102.1155.20000111.3
419K30.9Very low32.8Very low191 Ų191142 Ų14283%0.8376%0.756SS**  trans-82.8154.4-177.1-62.3170169.4-178.20112.4
420S28.2Very low32.5Very low121 Ų121147.5 Ų147.585%0.84676%0.764SS**  175.3127.812252.70000112.9
421S25.9Very low31.9Very low112 Ų112146.9 Ų146.978%0.78377%0.766SS**  trans-90.8-170.6152.4-45.80000109.2
422P57.1Low31.1Very low104 Ų104147.8 Ų147.868%0.67577%0.77SS**  cis-132.5-158.1-20.228.9-4.1000112.3
423D27.9Very low30.4Very low140 Ų140143.1 Ų143.175%0.74977%0.766SS**  trans91.8144.4158.2-63.2-16.3000118.3
424E29.2Very low30.2Very low155 Ų155141.9 Ų141.972%0.72477%0.769SS**  cis-176.1158.5-16.6-156.9-165.6128.100106.5
425V28Very low30.2Very low104 Ų104140.6 Ų140.663%0.6377%0.77SS**  trans61.8121.4152.3-97.10000127
426K27.6Very low30.1Very low180 Ų180143.8 Ų143.878%0.78377%0.774SS**  76.5145.2116.1-101.7177.5-180174.10125.6
427D25.3Very low29.9Very low114 Ų114146.3 Ų146.361%0.6178%0.784SS**  trans86.9138.8144.2-93.714.6000118
428R28.2Very low30.1Very low203 Ų203139.3 Ų139.377%0.76676%0.763SS**  cis-175.8177.3-4.7-135.1178.4-174.6178.9-6.8109.9
429S28Very low30.1Very low100 Ų100140.5 Ų140.570%0.69976%0.763SS**  trans78.2114.3157.259.70000118.7
430E27.1Very low30Very low180 Ų180138.8 Ų138.884%0.84176%0.758SS**  81.9112.756.9-74.4-176.1145.900114.4
431L28Very low30.5Very low181 Ų181140.5 Ų140.595%0.94876%0.756SS**  -166.8141.3119.8-138.687000112
432E29.5Very low30.9Very low197 Ų197142.4 Ų142.492%0.92176%0.757SS**  trans-83.6164.5-169.8-65178.8126.600116
433G25Very low29.6Very low75 Ų75140.9 Ų140.977%0.77376%0.761SS**  trans174.286.4158.100000116.3
434S31.3Very low29.7Very low112 Ų112144.2 Ų144.278%0.78377%0.769SS**  trans78.3104152.3-152.10000121.3
435S33.2Very low29.9Very low103 Ų103146 Ų14672%0.7277%0.774SS**  60.293.7122.6-45.40000120.2
436Q30.7Very low30Very low161 Ų161149.9 Ų149.975%0.75279%0.786SS**  trans147.9106.2139.7-85.3171.18.500108.5I438Q436-I438 VanDerWaalsContact C-N 3.27Å; Q436-I438 HydrophobicContact CB-CG1 4.42Å; Q436-I438 PolarHBondContact O-N 3.32Å
437N27.4Very low30.1Very low179 Ų179148.7 Ų148.796%0.95779%0.788SS**  trans-80.981.3173.7-68.8-14.6000109.2
438I34.4Very low30.5Very low81 Ų81152.4 Ų152.442%0.41580%0.798SS.*  trans-89.4116.9164.2-65172.6000107Q436 H440Q436-I438 VanDerWaalsContact C-N 3.27Å; Q436-I438 HydrophobicContact CB-CG1 4.42Å; Q436-I438 PolarHBondContact O-N 3.32Å; I438-H440 PolarHBondContact O-N 3.11Å
439L29.5Very low30.7Very low157 Ų157148.9 Ų148.982%0.82280%0.8SS**  trans-76.5112.9166.4-93.6152.7000109
440H29Very low30.8Very low155 Ų155150.8 Ų150.872%0.71880%0.802SS**  trans-89.2123.6166.6-86.2-99.8000109.5I438I438-H440 PolarHBondContact O-N 3.11Å
441I39.2Very low31.1Very low157 Ų157147.2 Ų147.281%0.80580%0.803SS**  trans-111118.4164.7-61177.8000106.6G443I441-G443 PolarHBondContact O-N 3.41Å
442N34Very low31.4Very low152 Ų152147.1 Ų147.181%0.81380%0.798SS**PPolyproline II helixtrans-65.7126.6179.8-85.4-3.5000110.8
443G30.1Very low31.5Very low72 Ų72144.3 Ų144.374%0.74279%0.789SS**PPolyproline II helixtrans-64140.517500000112.8I441I441-G443 PolarHBondContact O-N 3.41Å
444F29.3Very low31.9Very low211 Ų211152.6 Ų152.693%0.92580%0.797SS**PPolyproline II helixtrans-61.6134168.9-146.4-101.9000109.4E446F444-E446 PolarHBondContact O-N 3.33Å
445K32.2Very low32Very low191 Ų191155.2 Ų155.283%0.8380%0.797SS**PPolyproline II helixtrans-71.1125.9178.3-79.6179.9174.9177.20110.3
446E31.7Very low32.3Very low187 Ų187157.2 Ų157.287%0.87480%0.8SS**PPolyproline II helixtrans-77.2122.6172.4-163.1172.6-149.400109.2F444 K448F444-E446 PolarHBondContact O-N 3.33Å; E446-K448 PolarHBondContact O-N 3.19Å
447N29.8Very low32.4Very low154 Ų154156.3 Ų156.382%0.82480%0.8SS**  trans-82.4104.1169.6-79.3-6.3000108.5
448K33.7Very low33Very low192 Ų192154.6 Ų154.684%0.83579%0.791SS**  trans-71.5118.9170.2-162.8172.2-174.6169.30108.8E446E446-K448 PolarHBondContact O-N 3.19Å
449T31.7Very low33.2Very low130 Ų130161.9 Ų161.980%0.79881%0.813SS**  trans-127.2145.5161.136.10000108.5
450D30.2Very low33.4Very low140 Ų140162.9 Ų162.975%0.74981%0.814SS**  trans-74.3144.7-144.9-58.5-73.2000114.8E452D450-E452 PolarHBondContact O-N 2.76Å
451A33.6Very low33.6Very low104 Ų104166.7 Ų166.786%0.8682%0.823SS**  trans-75.4113.5166.400000108.1
452E33Very low33.2Very low180 Ų180164.8 Ų164.884%0.84182%0.819SS**  trans-89.7129.2162.8-69.3-149.6157.100110.8D450D450-E452 PolarHBondContact O-N 2.76Å
453D31.7Very low33.1Very low137 Ų137163.6 Ų163.673%0.73382%0.817SS**  trans-57.1126.3178.3-144.87.7000111
454W33.3Very low33.8Very low249 Ų249165.9 Ų165.994%0.94382%0.819SS**  trans-10595.8162.4-78.589.9000107.9
455E33.8Very low34.2Very low167 Ų167163 Ų16378%0.7881%0.809SS**  trans-62.3134.3171.6-71.8-169.7146.100111.4
456D39.6Very low34.6Very low146 Ų146160 Ų16078%0.78181%0.809SS**  trans-58128.8164.9-167.214.3000110.7
457N33.2Very low35Very low141 Ų141159.3 Ų159.375%0.75480%0.803SS**  trans-139.182.1173.2-154.87.1000111.5
458D40.1Very low35.7Very low143 Ų143157.8 Ų157.877%0.76580%0.802SS**  trans-65.1117.4157.3-105.7-36.8000110.3
459R37.8Very low35.6Very low234 Ų234153.3 Ų153.388%0.88380%0.8SS**  trans-150.2117154.3-111.9174.5-173.2-178.43.3113.7
460Q34.8Very low35.7Very low179 Ų179152.3 Ų152.384%0.83681%0.805SS**  trans-50.7138.3170.2-65.5161.13.600113.7
461Y32.3Very low36Very low235 Ų235151.2 Ų151.292%0.92281%0.808SS**  trans-147.5140.4140.9-95-78.2000110.9
462T30.3Very low36.2Very low117 Ų117150.3 Ų150.372%0.71881%0.809SS**  trans-85.4132.5-168.449.70000114
463T33Very low36.2Very low126 Ų126145.5 Ų145.577%0.77381%0.808SS**  44.1141.3129.6-32.30000119.2
464P44.4Very low36.6Very low121 Ų121146 Ų14679%0.78681%0.811SS**  cis-144.5162.243.437.3-14.3000121.1
465E37.7Very low37.1Very low151 Ų151140.9 Ų140.971%0.70680%0.801SS**  trans-55.4166.1169.8-81.5-160.5140.100115.7
466P41.7Very low37.6Very low127 Ų127138.7 Ų138.783%0.82580%0.799SS**  -133147.2112.735.7-24.3000115.5
467K39.3Very low37.7Very low172 Ų172139 Ų13975%0.74880%0.796SS**  trans-59.7160.9173.8-65.9174.2174170.20114.3
468P45Very low37.9Very low123 Ų123139.4 Ų139.480%0.79980%0.798SS**  -138.6133.695.626.1-6.3000113.3
469A30.4Very low37.7Very low97 Ų97137.7 Ų137.780%0.80280%0.796SS**  78.9113.8100.600000114.7
470A35.3Very low37.5Very low109 Ų109133.4 Ų133.490%0.90179%0.791SS**  trans-77.3144.5-178.800000113.1
471S36.3Very low37.7Very low118 Ų118133.8 Ų133.883%0.82579%0.79SS**  trans-147.4125.2141.7670000108.8
472G36.5Very low37.9Very low84 Ų84127.5 Ų127.587%0.86678%0.78SS**  trans-68.5159.6178.900000113.4
473G33.1Very low38.5Very low80 Ų80129.8 Ų129.883%0.82579%0.786SS**  trans-176.689.8174.300000108.7
474D41.3Very low38.7Very low147 Ų147131.3 Ų131.379%0.78679%0.789SS**  trans-72.3115.4166.7175.729.9000108.5
475L43.9Very low38.3Very low142 Ų142133.9 Ų133.974%0.74379%0.79SS**  trans-153.6109.1156-75.9-174.6000109.1E477L475-E477 PolarHBondContact O-N 3.49Å
476T44.6Very low38.1Very low121 Ų121134 Ų13474%0.74280%0.796SS**  trans-70.4113.4161.147.50000109.3
477E41.1Very low37.8Very low151 Ų151132 Ų13271%0.70679%0.785SS**  trans-114.398.6172-63.4-172.3179.400109.1L475 C479L475-E477 PolarHBondContact O-N 3.49Å; E477-C479 PolarHBondContact O-N 3.16Å
478N37.6Very low37.6Very low151 Ų151130 Ų13081%0.80779%0.791SS**  trans-77.9108.9166.5-61.9-4.8000106.9D480N478-D480 PolarHBondContact O-N 2.51Å; N478-D480 VanDerWaalsContact O-N 3.08Å
479C35.3Very low37.1Very low107 Ų107132.6 Ų132.672%0.72379%0.793SS**  trans-7991.9173-66.90000109.8E477 F481E477-C479 PolarHBondContact O-N 3.16Å; C479-F481 HydrophobicContact CB-CE2 4.23Å
480D33.8Very low37.4Very low144 Ų144133.4 Ų133.477%0.7779%0.793SS**  trans-84.3113.9168.1-150.5-10000108.1N478N478-D480 PolarHBondContact O-N 2.51Å; N478-D480 VanDerWaalsContact O-N 3.08Å
481F39.4Very low37.3Very low187 Ų187132 Ų13282%0.8279%0.789SS**  trans-98.690.2174.9-81.8-82.7000108.8C479 I483C479-F481 HydrophobicContact CB-CE2 4.23Å; F481-I483 PolarHBondContact O-N 3.46Å
482S36.1Very low37.1Very low103 Ų103131.4 Ų131.472%0.7279%0.791SS**PPolyproline II helixtrans-67.8120.8167.4-52.10000109.8L484S482-L484 PolarHBondContact O-N 3.16Å
483I42.8Very low37.2Very low164 Ų164134.7 Ų134.784%0.84179%0.789SS**PPolyproline II helixtrans-70.4118.1171-64.1178.4000107.7F481 E485F481-I483 PolarHBondContact O-N 3.46Å; I483-E485 PolarHBondContact O-N 3.39Å
484L37.8Very low37.3Very low159 Ų159140.2 Ų140.283%0.83279%0.793SS**PPolyproline II helixtrans-69.8118.7169.3-76.2167.5000109.5S482 N486S482-L484 PolarHBondContact O-N 3.16Å; L484-N486 PolarHBondContact O-N 2.91Å
485E34.8Very low37Very low174 Ų174136.8 Ų136.881%0.81379%0.792SS**  trans-74.6102.5173.3-169-178.9-171.400109.4I483 S487I483-E485 PolarHBondContact O-N 3.39Å; E485-S487 PolarHBondContact O-N 3.4Å
486N33.9Very low36.7Very low153 Ų153138.7 Ų138.782%0.81880%0.797SS**  trans-9094.2165.9-85.331.7000108.7L484 C488L484-N486 PolarHBondContact O-N 2.91Å; N486-C488 PolarHBondContact O-N 2.93Å
487S35.5Very low36.2Very low86 Ų86142.6 Ų142.660%0.60181%0.805SS**  trans-75113.2173-1510000110.1E485 Q489E485-S487 PolarHBondContact O-N 3.4Å; S487-Q489 PolarHBondContact O-N 2.98Å
488C35Very low36.1Very low130 Ų130140.4 Ų140.488%0.87880%0.802SS**  trans-81.3102.9163.5-72.20000108.1N486N486-C488 PolarHBondContact O-N 2.93Å
489Q35.4Very low36.1Very low177 Ų177137.6 Ų137.683%0.82780%0.8SS**PPolyproline II helixtrans-90.1116.9171-105.91598.500110.7S487S487-Q489 PolarHBondContact O-N 2.98Å
490S35.7Very low36Very low115 Ų115141 Ų14180%0.80481%0.805SS**PPolyproline II helixtrans-63.1133.9165.752.20000110.5
491G33.5Very low36Very low80 Ų80142.6 Ų142.683%0.82581%0.808SS**PPolyproline II helixtrans-67.7145.5170.800000112.6
492A32.7Very low36.1Very low104 Ų104137.6 Ų137.686%0.8680%0.801SS**  trans-151.5136.8150.300000108.7
493D37.1Very low37Very low154 Ų154138.6 Ų138.682%0.82481%0.805SS**  trans-41.1150.1173.2-118.6-27.7000115.2
494E37Very low36.6Very low195 Ų195135.8 Ų135.891%0.91181%0.806SS**  170.6117.1118.3-74-118.6140.500108.3
495G33.7Very low36.6Very low75 Ų75133.3 Ų133.377%0.77380%0.802SS**  trans-159.775.3-177.800000111.9
496E38.1Very low36.9Very low182 Ų182131.4 Ų131.485%0.8580%0.803SS**  trans-61123.3168-173.7-179.5168.600110.7
497F34.5Very low37.9Very low203 Ų203129.8 Ų129.889%0.8980%0.801SS**  trans-140.7132.6158.3-149.4-94.1000110.8
498T38.5Very low38.4Very low105 Ų105133.6 Ų133.664%0.64481%0.813SS**  trans-91.5156.5-171.538.40000112.5
499A37.3Very low38.6Very low93 Ų93137 Ų13777%0.76982%0.816SS**  trans130.8105.4154.700000110.6
500Q34.1Very low38.7Very low178 Ų178131.7 Ų131.783%0.83281%0.809SS**  103.1132.772.8-172.8175.1-19.100110.5
501E33.2Very low39.4Very low177 Ų177132.4 Ų132.483%0.82781%0.814SS**  trans100.2122.3159.9-132.6164.6135.900119
502A42.1Very low40.5Very low83 Ų83137.5 Ų137.569%0.68682%0.817SS**  trans-110.9-168.1175.200000108.7
503P54.4Low41.3Very low123 Ų123141.5 Ų141.580%0.79982%0.818SS**  -122.9164.3-5632.3-16.8000111.4
504A34.5Very low41.8Very low105 Ų105144.5 Ų144.587%0.86884%0.841SS**  trans-154.9133.7157.800000112.5
505S36.9Very low42.1Very low107 Ų107142 Ų14275%0.74884%0.837SS**  trans-90.4172.6-170-50.10000114.2
506T42.8Very low42.5Very low134 Ų134145.5 Ų145.582%0.82284%0.841SS**  trans104.2157151.973.60000118
507P53.9Low42.8Very low120 Ų120143.4 Ų143.478%0.77984%0.84SS**  -140.9176.4-5540.1-23.6000114.4
508L45Very low43.3Very low165 Ų165139.9 Ų139.986%0.86484%0.837SS**  trans-75.4137.7160.2-99.2139.5000111.9
509E39.2Very low43.5Very low201 Ų201142.1 Ų142.194%0.93985%0.849SS**  trans174.6141.3144.8-110.9168.3121.800106.3
510G38.3Very low44Very low66 Ų66145.4 Ų145.468%0.6886%0.855SS**  cis145.6132.923.100000104.6
511S51.3Low44.7Very low130 Ų130143.1 Ų143.191%0.90986%0.856SS**  trans-148.2113.4174.3-57.50000110
512E56.4Low45.5Very low188 Ų188140.5 Ų140.588%0.87986%0.859SS**  trans-102.2157.6167.1-86.6-179113.400110.1
513E49.8Very low45.8Very low188 Ų188145.3 Ų145.388%0.87987%0.873SS**  trans68.7119.3162.8-62.2-163.7115.400119.8
514V47.5Very low45.1Very low216 Ų216147.3 Ų147.3100%1.30988%0.88SS**  -160.8088.6163.60000109.6

Retrieved 514 of 514 residues in 121.3 ms (Link to these results)

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