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Anamorsin

Component of the cytosolic iron-sulfur (Fe-S) protein assembly (CIA) machinery required for the maturation of extramitochondrial Fe-S proteins. Part of an electron transfer chain functioning in an early step of cytosolic Fe-S biogenesis, facilitating the de novo assembly of a [4Fe-4S] cluster on the scaffold complex NUBP1-NUBP2. Electrons are transferred to CIAPIN1 from NADPH via the FAD- and FMN-containing protein NDOR1. NDOR1-CIAPIN1 are also required for the assembly of the diferric tyrosyl radical cofactor of ribonucleotide reductase (RNR), probably by providing electrons for reduction during radical cofactor maturation in the catalytic small subunit. Has anti-apoptotic effects in the cell. Involved in negative control of cell death upon cytokine withdrawal. Promotes development of hematopoietic cells.

AlphaFold DB (A0A2K5MXL7), UniProt , Accession A0A096NIS3, Species PAPAN (Papio anubis, Olive baboon), Gene CIAPIN1, Length 312 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
1M43.2Very low74.2Confident167 Ų16770.5 Ų70.582%0.82345%0.448SS*.  024.50-70.3-172.9-179.700112.9D3M1-D3 WeakPolarHBondContact CA-OD2 3.47Å; M1-D3 PolarHBondContact N-OD2 2.95Å; M1-D3 PolarHBondContact O-N 3.25Å
2A39.4Very low75.9Confident95 Ų9564.6 Ų64.679%0.78541%0.411SS*.  trans-84.617.7159.800000110.4
3D58.7Low77.3Confident105 Ų10559.7 Ų59.756%0.56138%0.38SS*.THydrogen-bonded Turntrans-101.8-11.2-148.1-50.6-42.8000113.4M1M1-D3 WeakPolarHBondContact CA-OD2 3.47Å; M1-D3 PolarHBondContact N-OD2 2.95Å; M1-D3 PolarHBondContact O-N 3.25Å
4F71.6Confident78.5Confident38 Ų3855.5 Ų55.517%0.16735%0.353CS..THydrogen-bonded Turntrans-95.5-1.2178.4-56.9-66000113.3I6 L64 L67 F94F4-I6 HydrophobicContact CB-CD1 3.85Å; F4-I6 HydrophobicContact CB-CG1 3.89Å; F4-I6 PolarHBondContact O-N 2.94Å; F4-L64 HydrophobicContact CB-CD2 4.49Å; F4-L64 HydrophobicContact CD1-CD2 3.94Å; F4-L64 HydrophobicContact CE1-CD2 4.33Å; F4-L64 HydrophobicContact CG-CD2 4.15Å; F4-L67 HydrophobicContact CE1-CD1 3.75Å; F4-L67 HydrophobicContact CE1-CD2 4.37Å; F4-L67 HydrophobicContact CZ-CD1 4.08Å; F4-L67 HydrophobicContact CZ-CD2 4.32Å; F4-F94 HydrophobicContact CB-CD2 4.32Å; F4-F94 HydrophobicContact CB-CE2 4.01Å; F4-F94 HydrophobicContact CB-CZ 4.31Å; F4-F94 HydrophobicContact CD1-CB 4Å; F4-F94 AromaticContact CD1-CD1 3.73Å; F4-F94 HydrophobicContact CD1-CD1 3.73Å; F4-F94 AromaticContact CD1-CD2 3.78Å; F4-F94 HydrophobicContact CD1-CD2 3.78Å; F4-F94 HydrophobicContact CD1-CE1 4.06Å; F4-F94 HydrophobicContact CD1-CE2 4.12Å; F4-F94 AromaticContact CD1-CG 3.57Å; F4-F94 HydrophobicContact CD1-CG 3.57Å; F4-F94 HydrophobicContact CD1-CZ 4.25Å; F4-F94 HydrophobicContact CE1-CB 4.08Å; F4-F94 HydrophobicContact CE1-CD1 4.2Å; F4-F94 HydrophobicContact CE1-CG 4.09Å; F4-F94 WeakPolarHBondContact O-CE2 3.01Å
5G78.1Confident79.6Confident58 Ų5851.9 Ų51.960%0.59833%0.33SS*.  trans64.525.5179.900000114.4
6I83.9Confident80.4Confident30 Ų3052.9 Ų52.915%0.15433%0.326CS..  trans-74128.9-178.4-59.4165.2000109.5F4 Q10 V12 L32 L35 I62F4-I6 HydrophobicContact CB-CD1 3.85Å; F4-I6 HydrophobicContact CB-CG1 3.89Å; F4-I6 PolarHBondContact O-N 2.94Å; I6-Q10 VanDerWaalsContact CA-OE1 3.31Å; I6-V12 HydrophobicContact CG2-CG2 4.23Å; I6-L32 HydrophobicContact CD1-CD2 3.31Å; I6-L35 HydrophobicContact CG2-CB 4.18Å; I6-I62 HydrophobicContact CB-CD1 4.3Å; I6-I62 HydrophobicContact CG1-CD1 3.61Å
7S84.8Confident80.9Confident59 Ų5950.6 Ų50.641%0.41331%0.311SS..  trans-118.1163.7175.670.90000111.6Q10S7-Q10 PolarHBondContact O-N 3.43Å; S7-Q10 WeakPolarHBondContact OG-CG 3.12Å; S7-Q10 PolarHBondContact OG-NE2 3.31Å; S7-Q10 VanDerWaalsContact OG-NE2 3.09Å
8A85.3Confident81.1Confident77 Ų7754.8 Ų54.864%0.63632%0.324SS*.THydrogen-bonded Turntrans-56.9142.5173.300000111.4T36A8-T36 CarbonylContact C-O 3.59Å; A8-T36 VanDerWaalsContact CA-O 3.3Å; A8-T36 WeakPolarHBondContact CA-O 3.49Å
9G86.1Confident81.1Confident25 Ų2552.5 Ų52.526%0.25831%0.311SS..THydrogen-bonded Turntrans81.24.7177.200000116T36G9-T36 PolarHBondContact N-O 3.1Å
10Q91.6Very high81.3Confident28 Ų2850.3 Ų50.313%0.13130%0.299CS..  trans-81.1157179.2-72.7-178.3-22.800113.4I6 S7 V12 T36 G40 H41 D61 I62I6-Q10 VanDerWaalsContact CA-OE1 3.31Å; S7-Q10 PolarHBondContact O-N 3.43Å; S7-Q10 WeakPolarHBondContact OG-CG 3.12Å; S7-Q10 PolarHBondContact OG-NE2 3.31Å; S7-Q10 VanDerWaalsContact OG-NE2 3.09Å; Q10-V12 HydrophobicContact CB-CG2 4.48Å; Q10-T36 HydrophobicContact CB-CG2 4.25Å; Q10-T36 WeakPolarHBondContact O-CG2 3.48Å; Q10-G40 VanDerWaalsContact O-CA 3.32Å; Q10-G40 WeakPolarHBondContact O-CA 3.34Å; Q10-H41 PolarHBondContact O-N 3.1Å; Q10-H41 VanDerWaalsContact O-N 3.11Å; Q10-D61 WeakPolarHBondContact CA-OD2 3.37Å; Q10-D61 HydrophobicContact CB-CB 4.22Å; Q10-D61 WeakPolarHBondContact CB-OD2 3.23Å; Q10-D61 HydrophobicContact CG-CB 4.35Å; Q10-I62 VanDerWaalsContact OE1-CD1 3.25Å
11F93.6Very high81.5Confident93 Ų9350.5 Ų50.541%0.40830%0.301SS..EExtended strand (participates in β ladder)trans-97.8113.1170.4-67.9-96.4000109.2H41 S59 F60 D61 I62F11-H41 HydrophobicContact CD1-CB 3.57Å; F11-H41 HydrophobicContact CE1-CB 3.74Å; F11-H41 HydrophobicContact CG-CB 4.5Å; F11-S59 WeakPolarHBondContact CB-O 3.29Å; F11-F60 HydrophobicContact CB-CD1 4.09Å; F11-D61 PolarHBondContact N-OD2 3.11Å; F11-D61 PolarHBondContact O-N 2.93Å; F11-I62 PolarHBondContact O-N 3.28Å
12V94.5Very high83.7Confident0 Ų046.3 Ų46.30%029%0.285CS..EExtended strand (participates in β ladder)trans-113.7130.3-177.3-174.20000109.7I6 Q10 L32 T36 H41 V42 S43 I62 L64I6-V12 HydrophobicContact CG2-CG2 4.23Å; Q10-V12 HydrophobicContact CB-CG2 4.48Å; V12-L32 HydrophobicContact CG1-CD1 4.46Å; V12-T36 HydrophobicContact CG2-CG2 4.49Å; V12-H41 PolarHBondContact N-O 3.23Å; V12-V42 CarbonylContact O-C 3.5Å; V12-V42 WeakPolarHBondContact O-CA 3.47Å; V12-S43 PolarHBondContact O-N 3.11Å; V12-I62 VanDerWaalsContact CA-O 3.32Å; V12-I62 WeakPolarHBondContact CA-O 2.94Å; V12-I62 HydrophobicContact CG2-CB 4.42Å; V12-L64 HydrophobicContact CG1-CD1 4.28Å; V12-L64 HydrophobicContact CG1-CG 4.34Å
13A94.4Very high86.1Confident1 Ų148.7 Ų48.71%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-108.3134.1169.700000110.8S43 F60 I62 I63 L64A13-S43 CarbonylContact C-O 3.59Å; A13-S43 WeakPolarHBondContact CA-O 3.14Å; A13-F60 HydrophobicContact CB-CD1 3.77Å; A13-F60 HydrophobicContact CB-CD2 4.1Å; A13-F60 HydrophobicContact CB-CE1 3.86Å; A13-F60 HydrophobicContact CB-CE2 4.18Å; A13-F60 HydrophobicContact CB-CG 3.89Å; A13-F60 HydrophobicContact CB-CZ 4.06Å; A13-I62 PolarHBondContact N-O 3.13Å; A13-I63 HydrophobicContact CB-CG1 4.15Å; A13-I63 HydrophobicContact CB-CG2 4.47Å; A13-I63 WeakPolarHBondContact O-CA 3.46Å; A13-L64 PolarHBondContact O-N 3.17Å
14V94.4Very high87.6Confident1 Ų145 Ų451%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-109.9113.8173.1-176.60000108.4L25 L28 L32 V42 S43 V44 E45 L64 V68V14-L25 HydrophobicContact CG1-CD1 4.04Å; V14-L28 HydrophobicContact CG1-CD2 4.14Å; V14-L32 HydrophobicContact CG2-CD1 3.32Å; V14-V42 HydrophobicContact CG2-CG1 4.25Å; V14-S43 PolarHBondContact N-O 3.37Å; V14-V44 WeakPolarHBondContact O-CA 3.42Å; V14-E45 PolarHBondContact O-N 3.47Å; V14-L64 CarbonylContact C-O 3.59Å; V14-L64 WeakPolarHBondContact CA-O 3.32Å; V14-V68 HydrophobicContact CG1-CG2 4.18Å
15V93.9Very high88.5Confident1 Ų144.1 Ų44.11%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-98.5118.1176.8-177.70000109E45 I47 L50 I63 L64 S65 G66V15-E45 VanDerWaalsContact CA-O 3.3Å; V15-E45 WeakPolarHBondContact CA-O 3.37Å; V15-I47 HydrophobicContact CG1-CB 3.93Å; V15-I47 HydrophobicContact CG1-CG1 4.3Å; V15-L50 HydrophobicContact CG2-CD1 4.43Å; V15-L50 HydrophobicContact CG2-CD2 4.41Å; V15-I63 HydrophobicContact CG2-CG2 4.12Å; V15-L64 PolarHBondContact N-O 2.78Å; V15-S65 WeakPolarHBondContact CB-OG 3.45Å; V15-G66 PolarHBondContact O-N 3.01Å
16W92.8Very high89.1Confident68 Ų6847.4 Ų47.426%0.25826%0.259SS..EExtended strand (participates in β ladder)trans-120.5165-178.167-80000111.3L25 V44 E45 N46 I47 V68W16-L25 HydrophobicContact CB-CD1 4.21Å; W16-L25 HydrophobicContact CB-CD2 4.41Å; W16-L25 HydrophobicContact CD2-CD2 3.84Å; W16-L25 HydrophobicContact CE3-CD2 4.35Å; W16-L25 HydrophobicContact CG-CD1 4.27Å; W16-L25 HydrophobicContact CG-CD2 3.81Å; W16-V44 VanDerWaalsContact CD1-CG1 3.43Å; W16-E45 PolarHBondContact N-O 3.05Å; W16-E45 PolarHBondContact NE1-O 3.3Å; W16-N46 WeakPolarHBondContact CH2-ND2 3.36Å; W16-N46 HydrophobicContact CZ2-CB 4.08Å; W16-N46 WeakPolarHBondContact O-CA 3.47Å; W16-I47 PolarHBondContact O-N 3.13Å; W16-V68 HydrophobicContact CB-CG2 4.29Å
17D88.4Confident89.5Confident14 Ų1447.3 Ų47.38%0.07526%0.264CS..  trans-129.7168.6178-173.228.5000110.8S19 S20 I47 N48 T73D17-S19 PolarHBondContact O-N 3.11Å; D17-S20 PolarHBondContact N-OG 3.48Å; D17-S20 VanDerWaalsContact O-CB 3.26Å; D17-S20 WeakPolarHBondContact O-CB 3.26Å; D17-S20 PolarHBondContact O-N 2.9Å; D17-S20 PolarHBondContact O-OG 3.28Å; D17-S20 VanDerWaalsContact O-OG 3.08Å; D17-I47 HydrophobicContact CB-CG2 3.76Å; D17-I47 WeakPolarHBondContact OD1-CG2 3.42Å; D17-N48 PolarHBondContact OD1-ND2 2.97Å; D17-T73 HydrophobicContact CB-CG2 4.05Å; D17-T73 WeakPolarHBondContact CB-OG1 3.37Å
18K84.4Confident89.8Confident127 Ų12745.8 Ų45.855%0.55225%0.252SS*.THydrogen-bonded Turntrans-54.3-21.3179.664.4-177.3173.6174.90114.9S20 Y146K18-S20 VanDerWaalsContact C-N 3.29Å; K18-Y146 HydrophobicContact CD-CD1 3.9Å; K18-Y146 HydrophobicContact CD-CE1 4.1Å; K18-Y146 VanDerWaalsContact CE-CD1 3.48Å; K18-Y146 HydrophobicContact CG-CD1 4.06Å; K18-Y146 HydrophobicContact CG-CE1 4.12Å
19S82.6Confident90.1Very high10 Ų1042.9 Ų42.97%0.0723%0.226CC..THydrogen-bonded Turntrans-77.5-12.4176.253.10000113.7D17 T72D17-S19 PolarHBondContact O-N 3.11Å; S19-T72 WeakPolarHBondContact CB-OG1 3.32Å; S19-T72 PolarHBondContact OG-N 3.04Å; S19-T72 PolarHBondContact OG-OG1 3.27Å
20S83.4Confident90.4Very high9 Ų946 Ų466%0.06324%0.237CC..SBendtrans-77.8124.9-178.2-53.60000111.9D17 K18 S71D17-S20 PolarHBondContact N-OG 3.48Å; D17-S20 VanDerWaalsContact O-CB 3.26Å; D17-S20 WeakPolarHBondContact O-CB 3.26Å; D17-S20 PolarHBondContact O-N 2.9Å; D17-S20 PolarHBondContact O-OG 3.28Å; D17-S20 VanDerWaalsContact O-OG 3.08Å; K18-S20 VanDerWaalsContact C-N 3.29Å; S20-S71 WeakPolarHBondContact CB-OG 3.41Å; S20-S71 WeakPolarHBondContact OG-CB 3.42Å; S20-S71 PolarHBondContact OG-OG 2.91Å
21P86.2Confident90.3Very high54 Ų5450.6 Ų50.635%0.35126%0.256SS..  trans-66.5134.7172.320.9-25.2000111.5E23 A24 L25 P69P21-E23 VanDerWaalsContact C-N 3.3Å; P21-E23 PolarHBondContact O-N 2.89Å; P21-A24 HydrophobicContact CB-CB 4.4Å; P21-A24 HydrophobicContact CG-CB 3.79Å; P21-A24 PolarHBondContact O-N 3.14Å; P21-L25 PolarHBondContact O-N 2.71Å; P21-P69 VanDerWaalsContact CD-O 3.24Å; P21-P69 WeakPolarHBondContact CD-O 3.18Å; P21-P69 WeakPolarHBondContact CG-O 3.45Å
22V88.6Confident90.1Very high79 Ų7946.4 Ų46.448%0.47924%0.238SC..Hα-helixtrans-64.5-35.7-172.5-179.20000111.6L25 K26V22-L25 PolarHBondContact O-N 3.06Å; V22-K26 HydrophobicContact CG1-CD 4.32Å; V22-K26 WeakPolarHBondContact O-CG 3.18Å; V22-K26 PolarHBondContact O-N 3.45Å
23E90.7Very high90Very high145 Ų14551.2 Ų51.268%0.67826%0.261SS*.Hα-helixtrans-65.2-40.6177.7-64.269-149.900111.2P21 G27P21-E23 VanDerWaalsContact C-N 3.3Å; P21-E23 PolarHBondContact O-N 2.89Å; E23-G27 PolarHBondContact O-N 2.94Å
24A89.6Confident89.8Confident27 Ų2757 Ų5722%0.22330%0.296CS..Hα-helixtrans-70.5-38.5177.600000111.5P21 G27 L28 V68 P69P21-A24 HydrophobicContact CB-CB 4.4Å; P21-A24 HydrophobicContact CG-CB 3.79Å; P21-A24 PolarHBondContact O-N 3.14Å; A24-G27 PolarHBondContact O-N 2.83Å; A24-L28 WeakPolarHBondContact O-CB 3.29Å; A24-L28 PolarHBondContact O-N 2.78Å; A24-V68 HydrophobicContact CB-CG1 4.06Å; A24-P69 HydrophobicContact CB-CB 4.36Å; A24-P69 HydrophobicContact CB-CG 4.46Å
25L90.9Very high89.4Confident21 Ų2161.1 Ų61.111%0.1132%0.317CS..Hα-helixtrans-61.2-49.6174.417760.9000111V14 W16 P21 V22 G27 L28 V29 V44 V68V14-L25 HydrophobicContact CG1-CD1 4.04Å; W16-L25 HydrophobicContact CB-CD1 4.21Å; W16-L25 HydrophobicContact CB-CD2 4.41Å; W16-L25 HydrophobicContact CD2-CD2 3.84Å; W16-L25 HydrophobicContact CE3-CD2 4.35Å; W16-L25 HydrophobicContact CG-CD1 4.27Å; W16-L25 HydrophobicContact CG-CD2 3.81Å; P21-L25 PolarHBondContact O-N 2.71Å; V22-L25 PolarHBondContact O-N 3.06Å; L25-G27 PolarHBondContact O-N 2.07Å; L25-L28 PolarHBondContact O-N 3.39Å; L25-V29 HydrophobicContact CD1-CG2 4.12Å; L25-V29 VanDerWaalsContact O-CG2 3.31Å; L25-V29 WeakPolarHBondContact O-CG2 3.49Å; L25-V29 PolarHBondContact O-N 3.14Å; L25-V44 HydrophobicContact CD1-CG1 4.19Å; L25-V44 HydrophobicContact CD2-CG1 4.14Å; L25-V68 HydrophobicContact CB-CG1 4.16Å; L25-V68 HydrophobicContact CD1-CG2 3.76Å
26K91.8Very high89.1Confident127 Ų12761.1 Ų61.155%0.55232%0.317SS*.Hα-helixtrans-57.5-48.8175.9-74175.1-179.9175.20111.2V22 L28 V29 D30V22-K26 HydrophobicContact CG1-CD 4.32Å; V22-K26 WeakPolarHBondContact O-CG 3.18Å; V22-K26 PolarHBondContact O-N 3.45Å; K26-L28 VanDerWaalsContact C-N 3.25Å; K26-L28 PolarHBondContact O-N 3.02Å; K26-V29 PolarHBondContact O-N 3.18Å; K26-V29 VanDerWaalsContact O-N 3.16Å; K26-D30 WeakPolarHBondContact O-CB 3.19Å; K26-D30 PolarHBondContact O-N 2.88Å
27G92Very high88.8Confident27 Ų2759.4 Ų59.428%0.27832%0.321SS..Hα-helixtrans-61.5-30.5178.300000114E23 A24 L25 K31E23-G27 PolarHBondContact O-N 2.94Å; A24-G27 PolarHBondContact O-N 2.83Å; L25-G27 PolarHBondContact O-N 2.07Å; G27-K31 VanDerWaalsContact O-CD 3.3Å; G27-K31 WeakPolarHBondContact O-CD 3.34Å; G27-K31 WeakPolarHBondContact O-CG 3.43Å; G27-K31 PolarHBondContact O-N 3.11Å
28L90.3Very high88.4Confident27 Ų2767 Ų6714%0.14136%0.362CS..Hα-helixtrans-73-47.4173.1-177.763.3000111.2V14 A24 L25 K26 D30 K31 L32 V68V14-L28 HydrophobicContact CG1-CD2 4.14Å; A24-L28 WeakPolarHBondContact O-CB 3.29Å; A24-L28 PolarHBondContact O-N 2.78Å; L25-L28 PolarHBondContact O-N 3.39Å; K26-L28 VanDerWaalsContact C-N 3.25Å; K26-L28 PolarHBondContact O-N 3.02Å; L28-D30 PolarHBondContact O-N 3.46Å; L28-K31 PolarHBondContact O-N 3.04Å; L28-L32 HydrophobicContact CD1-CD1 4.4Å; L28-L32 HydrophobicContact CD1-CG 4.48Å; L28-L32 HydrophobicContact CG-CD1 4.01Å; L28-L32 HydrophobicContact CG-CG 4.49Å; L28-L32 VanDerWaalsContact O-CG 3.29Å; L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 2.79Å; L28-V68 HydrophobicContact CD2-CG2 3.83Å
29V92.2Very high88.4Confident16 Ų1669.2 Ų69.210%0.09737%0.373CS..Hα-helixtrans-61.6-44.3-179.6172.80000111.3L25 K26 K31 L32 Q33 V42 V44L25-V29 HydrophobicContact CD1-CG2 4.12Å; L25-V29 VanDerWaalsContact O-CG2 3.31Å; L25-V29 WeakPolarHBondContact O-CG2 3.49Å; L25-V29 PolarHBondContact O-N 3.14Å; K26-V29 PolarHBondContact O-N 3.18Å; K26-V29 VanDerWaalsContact O-N 3.16Å; V29-K31 VanDerWaalsContact C-N 3.3Å; V29-K31 PolarHBondContact O-N 3.23Å; V29-L32 PolarHBondContact O-N 3.05Å; V29-L32 VanDerWaalsContact O-N 3.13Å; V29-Q33 HydrophobicContact CG1-CG 4.33Å; V29-Q33 WeakPolarHBondContact O-CG 3.42Å; V29-Q33 PolarHBondContact O-N 3.44Å; V29-V42 HydrophobicContact CG1-CG1 4.19Å; V29-V44 HydrophobicContact CG1-CG2 4.3Å; V29-V44 HydrophobicContact CG2-CG2 3.55Å
30D92.2Very high88.4Confident92 Ų9269.7 Ų69.749%0.49238%0.38SS..Hα-helixtrans-59.3-42.4177.8-66.6-19.7000111.1K26 L28 Q33 V34K26-D30 WeakPolarHBondContact O-CB 3.19Å; K26-D30 PolarHBondContact O-N 2.88Å; L28-D30 PolarHBondContact O-N 3.46Å; D30-Q33 PolarHBondContact O-N 3.15Å; D30-V34 WeakPolarHBondContact O-CG2 3.27Å; D30-V34 PolarHBondContact O-N 3.37Å; D30-V34 VanDerWaalsContact O-N 3.11Å
31K89.7Confident88.8Confident123 Ų12373.9 Ų73.954%0.53540%0.399SS..Hα-helixtrans-64.7-42.4175.8-70.8169.7-171.2175.80111.9G27 L28 V29 V34 L35G27-K31 VanDerWaalsContact O-CD 3.3Å; G27-K31 WeakPolarHBondContact O-CD 3.34Å; G27-K31 WeakPolarHBondContact O-CG 3.43Å; G27-K31 PolarHBondContact O-N 3.11Å; L28-K31 PolarHBondContact O-N 3.04Å; V29-K31 VanDerWaalsContact C-N 3.3Å; V29-K31 PolarHBondContact O-N 3.23Å; K31-V34 PolarHBondContact O-N 3.13Å; K31-L35 WeakPolarHBondContact O-CG 3.35Å; K31-L35 PolarHBondContact O-N 3.44Å
32L90.2Very high89Confident5 Ų572.4 Ų72.43%0.02639%0.389CS..Hα-helixtrans-65.6-40.2178.5-67.5169.7000111.3I6 V12 V14 L28 V29 V34 L35 T36 V42 L64I6-L32 HydrophobicContact CD1-CD2 3.31Å; V12-L32 HydrophobicContact CG1-CD1 4.46Å; V14-L32 HydrophobicContact CG2-CD1 3.32Å; L28-L32 HydrophobicContact CD1-CD1 4.4Å; L28-L32 HydrophobicContact CD1-CG 4.48Å; L28-L32 HydrophobicContact CG-CD1 4.01Å; L28-L32 HydrophobicContact CG-CG 4.49Å; L28-L32 VanDerWaalsContact O-CG 3.29Å; L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 2.79Å; V29-L32 PolarHBondContact O-N 3.05Å; V29-L32 VanDerWaalsContact O-N 3.13Å; L32-V34 VanDerWaalsContact C-N 3.31Å; L32-V34 PolarHBondContact O-N 3.38Å; L32-L35 PolarHBondContact O-N 3.26Å; L32-T36 WeakPolarHBondContact O-CB 3.44Å; L32-T36 PolarHBondContact O-N 3.31Å; L32-T36 PolarHBondContact O-OG1 3.37Å; L32-V42 HydrophobicContact CB-CG1 4.2Å; L32-V42 HydrophobicContact CB-CG2 3.96Å; L32-V42 HydrophobicContact CD1-CG1 4.33Å; L32-L64 HydrophobicContact CD1-CD1 3.82Å; L32-L64 HydrophobicContact CD2-CD1 3.81Å; L32-L64 HydrophobicContact CG-CD1 4.47Å
33Q90.6Very high89.2Confident101 Ų10169.4 Ų69.447%0.47237%0.371SS..Hα-helixtrans-61.1-41.3175.3-73176.32.400111.5V29 D30 L35 T36 G37 V42V29-Q33 HydrophobicContact CG1-CG 4.33Å; V29-Q33 WeakPolarHBondContact O-CG 3.42Å; V29-Q33 PolarHBondContact O-N 3.44Å; D30-Q33 PolarHBondContact O-N 3.15Å; Q33-L35 PolarHBondContact O-N 3.13Å; Q33-T36 PolarHBondContact O-N 3.46Å; Q33-G37 PolarHBondContact O-N 3.23Å; Q33-V42 HydrophobicContact CG-CB 4.14Å; Q33-V42 HydrophobicContact CG-CG2 3.88Å
34V90.6Very high89.3Confident123 Ų12365.2 Ų65.275%0.74536%0.355SS*.Hα-helixtrans-62.2-41.1174.4172.70000111.9D30 K31 L32D30-V34 WeakPolarHBondContact O-CG2 3.27Å; D30-V34 PolarHBondContact O-N 3.37Å; D30-V34 VanDerWaalsContact O-N 3.11Å; K31-V34 PolarHBondContact O-N 3.13Å; L32-V34 VanDerWaalsContact C-N 3.31Å; L32-V34 PolarHBondContact O-N 3.38Å
35L87.3Confident89.5Confident87 Ų8765.8 Ų65.846%0.45535%0.354SS..Hα-helixtrans-70.6-37.4179.5-70.4174.8000113.1I6 K31 L32 Q33I6-L35 HydrophobicContact CG2-CB 4.18Å; K31-L35 WeakPolarHBondContact O-CG 3.35Å; K31-L35 PolarHBondContact O-N 3.44Å; L32-L35 PolarHBondContact O-N 3.26Å; Q33-L35 PolarHBondContact O-N 3.13Å
36T87.3Confident89.5Confident1 Ų165.7 Ų65.71%0.00635%0.353CS..Hα-helixtrans-83.9-21.8-174.2-38.40000111.8A8 G9 Q10 V12 L32 Q33A8-T36 CarbonylContact C-O 3.59Å; A8-T36 VanDerWaalsContact CA-O 3.3Å; A8-T36 WeakPolarHBondContact CA-O 3.49Å; G9-T36 PolarHBondContact N-O 3.1Å; Q10-T36 HydrophobicContact CB-CG2 4.25Å; Q10-T36 WeakPolarHBondContact O-CG2 3.48Å; V12-T36 HydrophobicContact CG2-CG2 4.49Å; L32-T36 WeakPolarHBondContact O-CB 3.44Å; L32-T36 PolarHBondContact O-N 3.31Å; L32-T36 PolarHBondContact O-OG1 3.37Å; Q33-T36 PolarHBondContact O-N 3.46Å
37G85.8Confident89.4Confident32 Ų3260.1 Ų60.133%0.3333%0.329SS..  trans69.1-170.6177.900000113.4Q33 E39 G40Q33-G37 PolarHBondContact O-N 3.23Å; G37-E39 VanDerWaalsContact C-N 3.31Å; G37-E39 PolarHBondContact O-N 2.98Å; G37-G40 PolarHBondContact O-N 3.27Å
38N80.9Confident89.2Confident175 Ų17563.9 Ų63.994%0.93634%0.343SS*.THydrogen-bonded Turntrans-72.9-19.9-172.1-61.7-17.7000114.4
39E83.1Confident89.1Confident172 Ų17268 Ų6880%0.80436%0.361SS*.THydrogen-bonded Turntrans-90.6-13.3180-63.5-167.4161.800112.9G37G37-E39 VanDerWaalsContact C-N 3.31Å; G37-E39 PolarHBondContact O-N 2.98Å
40G83.7Confident88.9Confident21 Ų2167.2 Ų67.222%0.21636%0.357CS..  trans-94.8169.4179.900000113.4Q10 G37Q10-G40 VanDerWaalsContact O-CA 3.32Å; Q10-G40 WeakPolarHBondContact O-CA 3.34Å; G37-G40 PolarHBondContact O-N 3.27Å
41H90.5Very high88.6Confident97 Ų9767 Ų6745%0.44936%0.355SS..EExtended strand (participates in β ladder)trans-133130.2-178.8-170.8-80.2000110.6Q10 F11 V12 S43Q10-H41 PolarHBondContact O-N 3.1Å; Q10-H41 VanDerWaalsContact O-N 3.11Å; F11-H41 HydrophobicContact CD1-CB 3.57Å; F11-H41 HydrophobicContact CE1-CB 3.74Å; F11-H41 HydrophobicContact CG-CB 4.5Å; V12-H41 PolarHBondContact N-O 3.23Å; H41-S43 PolarHBondContact CE1-OG 3.22Å; H41-S43 PolarHBondContact ND1-OG 3.13Å
42V92.3Very high88.4Confident22 Ų2268.6 Ų68.613%0.13336%0.364CS..EExtended strand (participates in β ladder)trans-110.4109.7174.1-175.70000108.6V12 V14 V29 L32 Q33V12-V42 CarbonylContact O-C 3.5Å; V12-V42 WeakPolarHBondContact O-CA 3.47Å; V14-V42 HydrophobicContact CG2-CG1 4.25Å; V29-V42 HydrophobicContact CG1-CG1 4.19Å; L32-V42 HydrophobicContact CB-CG1 4.2Å; L32-V42 HydrophobicContact CB-CG2 3.96Å; L32-V42 HydrophobicContact CD1-CG1 4.33Å; Q33-V42 HydrophobicContact CG-CB 4.14Å; Q33-V42 HydrophobicContact CG-CG2 3.88Å
43S92Very high87.6Confident17 Ų1769.4 Ų69.412%0.11937%0.371CS..EExtended strand (participates in β ladder)trans-94.3144.3173.8-62.50000110.5V12 A13 V14 H41 F60V12-S43 PolarHBondContact O-N 3.11Å; A13-S43 CarbonylContact C-O 3.59Å; A13-S43 WeakPolarHBondContact CA-O 3.14Å; V14-S43 PolarHBondContact N-O 3.37Å; H41-S43 PolarHBondContact CE1-OG 3.22Å; H41-S43 PolarHBondContact ND1-OG 3.13Å; S43-F60 WeakPolarHBondContact OG-CE1 3.13Å
44V93.3Very high87.1Confident56 Ų5669.6 Ų69.634%0.33939%0.39SS..EExtended strand (participates in β ladder)trans-123.5115.5-179.6-1790000108.3V14 W16 L25 V29V14-V44 WeakPolarHBondContact O-CA 3.42Å; W16-V44 VanDerWaalsContact CD1-CG1 3.43Å; L25-V44 HydrophobicContact CD1-CG1 4.19Å; L25-V44 HydrophobicContact CD2-CG1 4.14Å; V29-V44 HydrophobicContact CG1-CG2 4.3Å; V29-V44 HydrophobicContact CG2-CG2 3.55Å
45E92.1Very high86.9Confident40 Ų4065.5 Ų65.519%0.18736%0.362CS..EExtended strand (participates in β ladder)trans-123.7141.1-172.6-66.9-60150.200111V14 V15 W16 L50 H55V14-E45 PolarHBondContact O-N 3.47Å; V15-E45 VanDerWaalsContact CA-O 3.3Å; V15-E45 WeakPolarHBondContact CA-O 3.37Å; W16-E45 PolarHBondContact N-O 3.05Å; W16-E45 PolarHBondContact NE1-O 3.3Å; E45-L50 HydrophobicContact CB-CD1 4.06Å; E45-L50 HydrophobicContact CG-CD1 4.31Å; E45-H55 WeakPolarHBondContact CG-NE2 3.47Å; E45-H55 IonicContact OE1-CE1 2.62Å; E45-H55 PolarHBondContact OE1-CE1 3.24Å; E45-H55 IonicContact OE1-NE2 3.8Å; E45-H55 PolarHBondContact OE1-NE2 3.48Å; E45-H55 IonicContact OE2-NE2 3.23Å
46N91.6Very high87.1Confident19 Ų1969.6 Ų69.610%0.10238%0.376CS..EExtended strand (participates in β ladder)trans-86.6135.5172.6-173.4-82000109.7W16 N48 Q49 L50W16-N46 WeakPolarHBondContact CH2-ND2 3.36Å; W16-N46 HydrophobicContact CZ2-CB 4.08Å; W16-N46 WeakPolarHBondContact O-CA 3.47Å; N46-N48 PolarHBondContact O-N 3.47Å; N46-N48 VanDerWaalsContact O-N 3.15Å; N46-N48 WeakPolarHBondContact OD1-CB 3.13Å; N46-N48 PolarHBondContact OD1-N 3.12Å; N46-N48 PolarHBondContact OD1-ND2 3.22Å; N46-N48 VanDerWaalsContact OD1-ND2 3.13Å; N46-Q49 HydrophobicContact CB-CB 4.33Å; N46-Q49 HydrophobicContact CB-CG 4.46Å; N46-Q49 CarbonylContact O-C 3.51Å; N46-Q49 PolarHBondContact O-N 3.23Å; N46-L50 PolarHBondContact O-N 3.09Å
47I90.1Very high87.3Confident9 Ų974 Ų745%0.04640%0.397CS..THydrogen-bonded Turntrans-55-37-178.1-167.8166.5000113.2V15 W16 D17 Q49 L50 T73 I79V15-I47 HydrophobicContact CG1-CB 3.93Å; V15-I47 HydrophobicContact CG1-CG1 4.3Å; W16-I47 PolarHBondContact O-N 3.13Å; D17-I47 HydrophobicContact CB-CG2 3.76Å; D17-I47 WeakPolarHBondContact OD1-CG2 3.42Å; I47-Q49 VanDerWaalsContact C-N 3.27Å; I47-Q49 PolarHBondContact O-N 3.24Å; I47-L50 PolarHBondContact O-N 3.32Å; I47-T73 HydrophobicContact CD1-CG2 3.27Å; I47-T73 HydrophobicContact CG1-CG2 4.48Å; I47-T73 HydrophobicContact CG2-CG2 4.47Å; I47-I79 HydrophobicContact CD1-CG1 4.47Å; I47-I79 HydrophobicContact CD1-CG2 4.05Å; I47-I79 HydrophobicContact CG1-CD1 4.01Å; I47-I79 HydrophobicContact CG1-CG1 4.08Å; I47-I79 HydrophobicContact CG1-CG2 3.96Å; I47-I79 VanDerWaalsContact O-CD1 3.24Å; I47-I79 WeakPolarHBondContact O-CD1 3.31Å
48N87.3Confident87.6Confident106 Ų10673.9 Ų73.957%0.56739%0.391SS*.THydrogen-bonded Turntrans-75.6-18.5-178.9-56.3-71.9000112.7D17 N46D17-N48 PolarHBondContact OD1-ND2 2.97Å; N46-N48 PolarHBondContact O-N 3.47Å; N46-N48 VanDerWaalsContact O-N 3.15Å; N46-N48 WeakPolarHBondContact OD1-CB 3.13Å; N46-N48 PolarHBondContact OD1-N 3.12Å; N46-N48 PolarHBondContact OD1-ND2 3.22Å; N46-N48 VanDerWaalsContact OD1-ND2 3.13Å
49Q88.4Confident88.1Confident113 Ų11367.1 Ų67.153%0.52836%0.357SS..THydrogen-bonded Turntrans-100.6-9.8178.7-67.7-174.176.700112.7N46 I47 L51 Q52 S53N46-Q49 HydrophobicContact CB-CB 4.33Å; N46-Q49 HydrophobicContact CB-CG 4.46Å; N46-Q49 CarbonylContact O-C 3.51Å; N46-Q49 PolarHBondContact O-N 3.23Å; I47-Q49 VanDerWaalsContact C-N 3.27Å; I47-Q49 PolarHBondContact O-N 3.24Å; Q49-L51 VanDerWaalsContact C-N 3.25Å; Q49-L51 PolarHBondContact O-N 3.02Å; Q49-Q52 CarbonylContact O-C 3.54Å; Q49-Q52 WeakPolarHBondContact O-CA 3.43Å; Q49-Q52 PolarHBondContact O-N 3.17Å; Q49-S53 PolarHBondContact O-N 3.4Å
50L87.4Confident88.7Confident1 Ų159.3 Ų59.31%0.00532%0.321CS..THydrogen-bonded Turntrans-59.2-34.8-175-169.168.9000113.2V15 E45 N46 I47 Q52 S53 I79 E82 I83 I86V15-L50 HydrophobicContact CG2-CD1 4.43Å; V15-L50 HydrophobicContact CG2-CD2 4.41Å; E45-L50 HydrophobicContact CB-CD1 4.06Å; E45-L50 HydrophobicContact CG-CD1 4.31Å; N46-L50 PolarHBondContact O-N 3.09Å; I47-L50 PolarHBondContact O-N 3.32Å; L50-Q52 VanDerWaalsContact C-N 3.26Å; L50-Q52 PolarHBondContact O-N 3.21Å; L50-S53 WeakPolarHBondContact CA-OG 3.01Å; L50-S53 PolarHBondContact O-OG 3.32Å; L50-I79 HydrophobicContact CB-CD1 4.33Å; L50-I79 HydrophobicContact CD2-CG2 4.16Å; L50-E82 HydrophobicContact CD2-CG 4.26Å; L50-E82 HydrophobicContact CG-CG 3.96Å; L50-I83 HydrophobicContact CD2-CD1 4.39Å; L50-I83 HydrophobicContact CD2-CG1 3.75Å; L50-I86 HydrophobicContact CD1-CD1 4.04Å
51L85.8Confident89.2Confident87 Ų8758.9 Ų58.946%0.45531%0.313SS..THydrogen-bonded Turntrans-72.4-21.1176.6-64.4171.3000113Q49 E78 I79 E82Q49-L51 VanDerWaalsContact C-N 3.25Å; Q49-L51 PolarHBondContact O-N 3.02Å; L51-E78 HydrophobicContact CD1-CB 4.25Å; L51-E78 HydrophobicContact CD2-CB 4.24Å; L51-I79 HydrophobicContact CD1-CD1 4.18Å; L51-I79 HydrophobicContact CD2-CD1 4.43Å; L51-I79 HydrophobicContact CG-CD1 3.94Å; L51-E82 HydrophobicContact CD2-CB 3.86Å; L51-E82 HydrophobicContact CD2-CG 4.16Å
52Q85.9Confident89.4Confident156 Ų15654.6 Ų54.673%0.72929%0.294SS*.THydrogen-bonded Turntrans-98.8-20.5179.9-60.6177.919.500111.8Q49 L50 A54Q49-Q52 CarbonylContact O-C 3.54Å; Q49-Q52 WeakPolarHBondContact O-CA 3.43Å; Q49-Q52 PolarHBondContact O-N 3.17Å; L50-Q52 VanDerWaalsContact C-N 3.26Å; L50-Q52 PolarHBondContact O-N 3.21Å; Q52-A54 PolarHBondContact O-N 3.29Å; Q52-A54 VanDerWaalsContact O-N 3.08Å
53S74.6Confident89.5Confident23 Ų2353.6 Ų53.616%0.16129%0.288CS..SBendtrans-71.4106.7174.661.50000107.8Q49 L50 H55Q49-S53 PolarHBondContact O-N 3.4Å; L50-S53 WeakPolarHBondContact CA-OG 3.01Å; L50-S53 PolarHBondContact O-OG 3.32Å; S53-H55 WeakPolarHBondContact CB-NE2 3.3Å; S53-H55 PolarHBondContact O-N 3.07Å; S53-H55 PolarHBondContact OG-CD2 3.1Å; S53-H55 PolarHBondContact OG-NE2 3.5Å
54A78.9Confident89.7Confident105 Ų10552.8 Ų52.887%0.86828%0.282SS*.  trans-71.654.6-178.800000111.8Q52Q52-A54 PolarHBondContact O-N 3.29Å; Q52-A54 VanDerWaalsContact O-N 3.08Å
55H87.7Confident89.8Confident36 Ų3650.1 Ų50.117%0.16727%0.266CS..PPolyproline II helixtrans-62.8142.5176.1-69.1-59.5000110.2E45 S53 F60 R85 I86E45-H55 WeakPolarHBondContact CG-NE2 3.47Å; E45-H55 IonicContact OE1-CE1 2.62Å; E45-H55 PolarHBondContact OE1-CE1 3.24Å; E45-H55 IonicContact OE1-NE2 3.8Å; E45-H55 PolarHBondContact OE1-NE2 3.48Å; E45-H55 IonicContact OE2-NE2 3.23Å; S53-H55 WeakPolarHBondContact CB-NE2 3.3Å; S53-H55 PolarHBondContact O-N 3.07Å; S53-H55 PolarHBondContact OG-CD2 3.1Å; S53-H55 PolarHBondContact OG-NE2 3.5Å; H55-F60 AromaticContact ND1-CE2 4Å; H55-R85 PolarHBondContact O-NH1 3.23Å; H55-R85 VanDerWaalsContact O-NH1 3.07Å; H55-R85 PolarHBondContact O-NH2 2.83Å; H55-I86 HydrophobicContact CB-CB 4.43Å; H55-I86 HydrophobicContact CB-CG2 3.68Å
56K90.3Very high89.8Confident173 Ų17348.2 Ų48.275%0.75226%0.257SS*.PPolyproline II helixtrans-63142171.9-169.3-179.3177.1-174.40109.1S59K56-S59 WeakPolarHBondContact O-CB 3.42Å; K56-S59 PolarHBondContact O-OG 3.02Å
57E90.7Very high89.7Confident94 Ų9448.5 Ų48.544%0.43926%0.259SS..THydrogen-bonded Turntrans-59.2143.7172.1-173.1173.9-169.400110.4S59 R85E57-S59 VanDerWaalsContact C-N 3.3Å; E57-S59 PolarHBondContact O-N 2.96Å; E57-R85 HydrophobicContact CG-CG 4.13Å; E57-R85 WeakPolarHBondContact CG-O 3.5Å
58S92.6Very high89.8Confident30 Ų3048.1 Ų48.121%0.2126%0.257CS..THydrogen-bonded Turntrans55.440.2174.9-65.80000114.2R85 I86 L87 K163 E167S58-R85 PolarHBondContact N-O 3.14Å; S58-R85 VanDerWaalsContact N-O 3.08Å; S58-I86 CarbonylContact C-O 3.53Å; S58-L87 WeakPolarHBondContact CA-O 3.48Å; S58-L87 PolarHBondContact OG-O 3.35Å; S58-K163 PolarHBondContact OG-NZ 2.71Å; S58-E167 PolarHBondContact OG-OE1 2.81Å
59S92.2Very high89.8Confident33 Ų3346.6 Ų46.623%0.23125%0.253CS..  trans-93.6-21.2-178.263.10000114.9F11 K56 E57 I86F11-S59 WeakPolarHBondContact CB-O 3.29Å; K56-S59 WeakPolarHBondContact O-CB 3.42Å; K56-S59 PolarHBondContact O-OG 3.02Å; E57-S59 VanDerWaalsContact C-N 3.3Å; E57-S59 PolarHBondContact O-N 2.96Å; S59-I86 PolarHBondContact N-O 2.75Å
60F94.6Very high89.6Confident8 Ų842.2 Ų42.24%0.03524%0.237CC..EExtended strand (participates in β ladder)trans-113.8140.3-174-64.1-71.7000112.6F11 A13 S43 H55 I63 I86 L87 R88F11-F60 HydrophobicContact CB-CD1 4.09Å; A13-F60 HydrophobicContact CB-CD1 3.77Å; A13-F60 HydrophobicContact CB-CD2 4.1Å; A13-F60 HydrophobicContact CB-CE1 3.86Å; A13-F60 HydrophobicContact CB-CE2 4.18Å; A13-F60 HydrophobicContact CB-CG 3.89Å; A13-F60 HydrophobicContact CB-CZ 4.06Å; S43-F60 WeakPolarHBondContact OG-CE1 3.13Å; H55-F60 AromaticContact ND1-CE2 4Å; F60-I63 HydrophobicContact CB-CD1 4.15Å; F60-I63 HydrophobicContact CB-CG1 4Å; F60-I63 HydrophobicContact CD2-CD1 4.45Å; F60-I86 HydrophobicContact CD2-CB 4.08Å; F60-I86 HydrophobicContact CD2-CD1 4.06Å; F60-I86 HydrophobicContact CD2-CG1 4.1Å; F60-I86 HydrophobicContact CE2-CD1 4.24Å; F60-I86 PolarHBondContact N-O 2.96Å; F60-L87 CarbonylContact O-C 3.55Å; F60-R88 WeakPolarHBondContact O-CG 3.47Å; F60-R88 PolarHBondContact O-N 2.68Å
61D94.2Very high89.6Confident11 Ų1142.2 Ų42.26%0.05924%0.237CC..EExtended strand (participates in β ladder)trans-85.8-41.1178.5-55.8-27.3000111Q10 F11 R88 G91 C92Q10-D61 WeakPolarHBondContact CA-OD2 3.37Å; Q10-D61 HydrophobicContact CB-CB 4.22Å; Q10-D61 WeakPolarHBondContact CB-OD2 3.23Å; Q10-D61 HydrophobicContact CG-CB 4.35Å; F11-D61 PolarHBondContact N-OD2 3.11Å; F11-D61 PolarHBondContact O-N 2.93Å; D61-R88 WeakPolarHBondContact OD1-CD 3.32Å; D61-R88 IonicContact OD1-CZ 3.82Å; D61-R88 IonicContact OD1-NE 3.71Å; D61-R88 PolarHBondContact OD1-NE 3.18Å; D61-R88 IonicContact OD1-NH1 3.39Å; D61-R88 PolarHBondContact OD1-NH1 3.1Å; D61-R88 IonicContact OD1-NH2 2.86Å; D61-R88 IonicContact OD2-CZ 3.72Å; D61-R88 IonicContact OD2-NH1 2.97Å; D61-R88 PolarHBondContact OD2-NH1 2.72Å; D61-G91 CarbonylContact O-C 3.55Å; D61-G91 WeakPolarHBondContact O-CA 3.3Å; D61-C92 PolarHBondContact O-N 3.24Å
62I94.6Very high89.7Confident8 Ų838 Ų384%0.04122%0.216CC..EExtended strand (participates in β ladder)trans-135.1135.1-178.2-61.5176.2000109.1I6 Q10 F11 V12 A13 L64 C92 F94I6-I62 HydrophobicContact CB-CD1 4.3Å; I6-I62 HydrophobicContact CG1-CD1 3.61Å; Q10-I62 VanDerWaalsContact OE1-CD1 3.25Å; F11-I62 PolarHBondContact O-N 3.28Å; V12-I62 VanDerWaalsContact CA-O 3.32Å; V12-I62 WeakPolarHBondContact CA-O 2.94Å; V12-I62 HydrophobicContact CG2-CB 4.42Å; A13-I62 PolarHBondContact N-O 3.13Å; I62-L64 HydrophobicContact CG2-CD2 3.84Å; I62-L64 HydrophobicContact CG2-CG 4.31Å; I62-C92 VanDerWaalsContact CA-O 3.3Å; I62-C92 WeakPolarHBondContact CA-O 3.32Å; I62-F94 HydrophobicContact CG2-CD2 4.01Å; I62-F94 HydrophobicContact CG2-CE2 4.13Å
63I96Very high89.9Confident0 Ų030.7 Ų30.70%018%0.181CC..EExtended strand (participates in β ladder)trans-121.4128.8173.3-57.7-168.8000109.1A13 V15 F60 I83 I86 L87 C92 L93 F94A13-I63 HydrophobicContact CB-CG1 4.15Å; A13-I63 HydrophobicContact CB-CG2 4.47Å; A13-I63 WeakPolarHBondContact O-CA 3.46Å; V15-I63 HydrophobicContact CG2-CG2 4.12Å; F60-I63 HydrophobicContact CB-CD1 4.15Å; F60-I63 HydrophobicContact CB-CG1 4Å; F60-I63 HydrophobicContact CD2-CD1 4.45Å; I63-I83 HydrophobicContact CD1-CG2 4.17Å; I63-I83 HydrophobicContact CG2-CG2 4.26Å; I63-I86 HydrophobicContact CD1-CD1 3.73Å; I63-I86 HydrophobicContact CD1-CG1 3.53Å; I63-L87 HydrophobicContact CB-CD1 4.47Å; I63-L87 HydrophobicContact CD1-CD1 4.07Å; I63-L87 HydrophobicContact CD1-CD2 4.45Å; I63-L87 HydrophobicContact CD1-CG 3.63Å; I63-L87 HydrophobicContact CG1-CD1 4.25Å; I63-L87 HydrophobicContact CG1-CD2 4.14Å; I63-L87 HydrophobicContact CG1-CG 3.83Å; I63-C92 PolarHBondContact N-O 2.98Å; I63-L93 HydrophobicContact CB-CD1 3.99Å; I63-L93 HydrophobicContact CG2-CD1 3.95Å; I63-F94 PolarHBondContact O-N 2.88Å
64L94.9Very high90.7Very high1 Ų131.3 Ų31.31%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-111.4111.4177.2-55.4-177.9000108F4 V12 A13 V14 V15 L32 I62 L67 F94F4-L64 HydrophobicContact CB-CD2 4.49Å; F4-L64 HydrophobicContact CD1-CD2 3.94Å; F4-L64 HydrophobicContact CE1-CD2 4.33Å; F4-L64 HydrophobicContact CG-CD2 4.15Å; V12-L64 HydrophobicContact CG1-CD1 4.28Å; V12-L64 HydrophobicContact CG1-CG 4.34Å; A13-L64 PolarHBondContact O-N 3.17Å; V14-L64 CarbonylContact C-O 3.59Å; V14-L64 WeakPolarHBondContact CA-O 3.32Å; V15-L64 PolarHBondContact N-O 2.78Å; L32-L64 HydrophobicContact CD1-CD1 3.82Å; L32-L64 HydrophobicContact CD2-CD1 3.81Å; L32-L64 HydrophobicContact CG-CD1 4.47Å; I62-L64 HydrophobicContact CG2-CD2 3.84Å; I62-L64 HydrophobicContact CG2-CG 4.31Å; L64-L67 HydrophobicContact CB-CD1 3.86Å; L64-L67 HydrophobicContact CD2-CD1 3.76Å; L64-L67 HydrophobicContact CG-CD1 4.32Å; L64-F94 WeakPolarHBondContact CA-O 3.38Å; L64-F94 HydrophobicContact CD2-CB 3.87Å; L64-F94 HydrophobicContact CD2-CD2 3.81Å; L64-F94 HydrophobicContact CD2-CG 4.22Å
65S95.4Very high91.4Very high0 Ų026.4 Ų26.40%014%0.142CC..EExtended strand (participates in β ladder)trans-121.1128.3-176.6-157.40000111.3V15 L67 H75 F94 L95 K96V15-S65 WeakPolarHBondContact CB-OG 3.45Å; S65-L67 PolarHBondContact O-N 3Å; S65-L67 VanDerWaalsContact O-N 3.14Å; S65-H75 PolarHBondContact OG-CD2 3.45Å; S65-H75 PolarHBondContact OG-NE2 3.07Å; S65-F94 PolarHBondContact N-O 2.81Å; S65-L95 WeakPolarHBondContact O-CA 3.29Å; S65-K96 PolarHBondContact O-N 2.91Å
66G91.5Very high91.7Very high0 Ų027.2 Ų27.20%015%0.151CC..SBendtrans68.57.9-178.700000115.1V15 K96V15-G66 PolarHBondContact O-N 3.01Å; G66-K96 VanDerWaalsContact O-CE 3.28Å; G66-K96 WeakPolarHBondContact O-CE 3.35Å
67L90.9Very high91.7Very high25 Ų2522.6 Ų22.613%0.13115%0.145CC..  trans-85.2-5.6-176.7-78167.1000114.4F4 L64 S65 F94 K96 Q158F4-L67 HydrophobicContact CE1-CD1 3.75Å; F4-L67 HydrophobicContact CE1-CD2 4.37Å; F4-L67 HydrophobicContact CZ-CD1 4.08Å; F4-L67 HydrophobicContact CZ-CD2 4.32Å; L64-L67 HydrophobicContact CB-CD1 3.86Å; L64-L67 HydrophobicContact CD2-CD1 3.76Å; L64-L67 HydrophobicContact CG-CD1 4.32Å; S65-L67 PolarHBondContact O-N 3Å; S65-L67 VanDerWaalsContact O-N 3.14Å; L67-F94 HydrophobicContact CD1-CB 3.64Å; L67-F94 WeakPolarHBondContact CD1-O 3.33Å; L67-K96 HydrophobicContact CD2-CB 3.77Å; L67-K96 HydrophobicContact CD2-CD 4.48Å; L67-K96 HydrophobicContact CG-CB 4.19Å; L67-Q158 HydrophobicContact CD2-CG 4.34Å
68V90.9Very high91.8Very high1 Ų124.3 Ų24.31%0.00615%0.153CC..SBendtrans-66.7127.1175179.60000108.3V14 W16 A24 L25 L28 G70 S71V14-V68 HydrophobicContact CG1-CG2 4.18Å; W16-V68 HydrophobicContact CB-CG2 4.29Å; A24-V68 HydrophobicContact CB-CG1 4.06Å; L25-V68 HydrophobicContact CB-CG1 4.16Å; L25-V68 HydrophobicContact CD1-CG2 3.76Å; L28-V68 HydrophobicContact CD2-CG2 3.83Å; V68-G70 PolarHBondContact O-N 3.38Å; V68-S71 VanDerWaalsContact CB-OG 3.3Å; V68-S71 WeakPolarHBondContact CB-OG 3.09Å; V68-S71 WeakPolarHBondContact O-CB 3.49Å; V68-S71 PolarHBondContact O-N 3.39Å; V68-S71 PolarHBondContact O-OG 3.16Å
69P87.6Confident91.9Very high74 Ų7423.3 Ų23.348%0.48115%0.146SC..THydrogen-bonded Turntrans-53.4132.9-179.6-2734.5000112.2P21 A24P21-P69 VanDerWaalsContact CD-O 3.24Å; P21-P69 WeakPolarHBondContact CD-O 3.18Å; P21-P69 WeakPolarHBondContact CG-O 3.45Å; A24-P69 HydrophobicContact CB-CB 4.36Å; A24-P69 HydrophobicContact CB-CG 4.46Å
70G84.4Confident92Very high20 Ų2021.8 Ų21.821%0.20614%0.135CC..THydrogen-bonded Turntrans87.2-6.7-175.800000115.7V68 E139V68-G70 PolarHBondContact O-N 3.38Å; G70-E139 PolarHBondContact N-OE1 2.87Å
71S87.7Confident91.9Very high1 Ų123.7 Ų23.71%0.00715%0.153CC..  trans-78.4138.3-177.6-48.50000112.3S20 V68 F156S20-S71 WeakPolarHBondContact CB-OG 3.41Å; S20-S71 WeakPolarHBondContact OG-CB 3.42Å; S20-S71 PolarHBondContact OG-OG 2.91Å; V68-S71 VanDerWaalsContact CB-OG 3.3Å; V68-S71 WeakPolarHBondContact CB-OG 3.09Å; V68-S71 WeakPolarHBondContact O-CB 3.49Å; V68-S71 PolarHBondContact O-N 3.39Å; V68-S71 PolarHBondContact O-OG 3.16Å; S71-F156 WeakPolarHBondContact O-CE1 3.3Å; S71-F156 WeakPolarHBondContact O-CZ 3.29Å
72T88.7Confident91.9Very high0 Ų024.4 Ų24.40%016%0.155CC..  trans-122.358.9179.846.50000110.1S19 E139 V143 F156S19-T72 WeakPolarHBondContact CB-OG1 3.32Å; S19-T72 PolarHBondContact OG-N 3.04Å; S19-T72 PolarHBondContact OG-OG1 3.27Å; T72-E139 HydrophobicContact CG2-CB 4.37Å; T72-V143 HydrophobicContact CG2-CG2 3.49Å; T72-V143 VanDerWaalsContact CG2-CG2 3.49Å; T72-F156 HydrophobicContact CG2-CZ 4Å
73T89.9Confident91.9Very high2 Ų224 Ų241%0.01215%0.153CC..  trans-87133-172.3-49.70000111.8D17 I47 P98D17-T73 HydrophobicContact CB-CG2 4.05Å; D17-T73 WeakPolarHBondContact CB-OG1 3.37Å; I47-T73 HydrophobicContact CD1-CG2 3.27Å; I47-T73 HydrophobicContact CG1-CG2 4.48Å; I47-T73 HydrophobicContact CG2-CG2 4.47Å; T73-P98 WeakPolarHBondContact O-CD 2.91Å
74L91.3Very high91.8Very high36 Ų3624.4 Ų24.419%0.18816%0.157CC..  trans-104.4138.2168.7-61.8-176.1000110.3E97 P98 K108 L147L74-E97 HydrophobicContact CD2-CG 3.91Å; L74-P98 HydrophobicContact CD2-CG 4.09Å; L74-K108 HydrophobicContact CD1-CB 4.04Å; L74-L147 HydrophobicContact CD1-CD1 3.97Å; L74-L147 HydrophobicContact CD1-CD2 3.69Å; L74-L147 HydrophobicContact CD1-CG 4.32Å; L74-L147 HydrophobicContact CD2-CD1 3.95Å; L74-L147 HydrophobicContact CG-CD1 3.76Å; L74-L147 HydrophobicContact CG-CD2 3.71Å; L74-L147 HydrophobicContact CG-CG 4.37Å
75H93.6Very high91.7Very high1 Ų128.1 Ų28.11%0.00517%0.171CC..  trans-105.2121.5-179.2-50.679.9000110.1S65 L80 L95 E97 K110S65-H75 PolarHBondContact OG-CD2 3.45Å; S65-H75 PolarHBondContact OG-NE2 3.07Å; H75-L80 HydrophobicContact CB-CD1 4.48Å; H75-L80 HydrophobicContact CB-CD2 3.79Å; H75-L80 HydrophobicContact CB-CG 3.98Å; H75-L95 HydrophobicContact CB-CD1 4.21Å; H75-E97 WeakPolarHBondContact CB-OE2 3.39Å; H75-E97 IonicContact CE1-OE2 3.45Å; H75-E97 IonicContact CG-OE2 3.63Å; H75-E97 PolarHBondContact N-OE2 3.27Å; H75-E97 IonicContact ND1-OE2 2.74Å; H75-E97 PolarHBondContact ND1-OE2 3.25Å; H75-K110 VanDerWaalsContact O-CE 3.27Å; H75-K110 WeakPolarHBondContact O-CE 3.48Å; H75-K110 PolarHBondContact O-NZ 3.05Å
76S92.9Very high91.6Very high53 Ų5328.1 Ų28.137%0.37117%0.171SC..  trans-79.5165.3170.770.50000110.7E78 I79 L80S76-E78 PolarHBondContact O-N 3Å; S76-I79 PolarHBondContact O-N 3.14Å; S76-I79 WeakPolarHBondContact OG-CG1 3.09Å; S76-I79 PolarHBondContact OG-N 3.47Å; S76-L80 WeakPolarHBondContact O-CG 3.26Å; S76-L80 PolarHBondContact O-N 2.86Å
77A92Very high91.8Very high76 Ų7628.1 Ų28.163%0.62817%0.171SC*.Hα-helixtrans-59.7-36.6176.300000112.2L80 A81A77-L80 PolarHBondContact O-N 3.2Å; A77-A81 WeakPolarHBondContact O-CB 3.36Å; A77-A81 PolarHBondContact O-N 3.08Å
78E92.8Very high91.9Very high130 Ų13031.9 Ų31.961%0.60718%0.183SC*.Hα-helixtrans-62.4-45.9176.7-64.8167.2-165.300111.7L51 S76 A81 E82L51-E78 HydrophobicContact CD1-CB 4.25Å; L51-E78 HydrophobicContact CD2-CB 4.24Å; S76-E78 PolarHBondContact O-N 3Å; E78-A81 PolarHBondContact O-N 3.31Å; E78-E82 WeakPolarHBondContact O-CB 3.44Å; E78-E82 PolarHBondContact O-N 2.97Å
79I93.7Very high92Very high9 Ų934 Ų345%0.04620%0.197CC..Hα-helixtrans-63.9-43.3177.3-64.6-62.8000110.8I47 L50 L51 S76 A81 E82 I83I47-I79 HydrophobicContact CD1-CG1 4.47Å; I47-I79 HydrophobicContact CD1-CG2 4.05Å; I47-I79 HydrophobicContact CG1-CD1 4.01Å; I47-I79 HydrophobicContact CG1-CG1 4.08Å; I47-I79 HydrophobicContact CG1-CG2 3.96Å; I47-I79 VanDerWaalsContact O-CD1 3.24Å; I47-I79 WeakPolarHBondContact O-CD1 3.31Å; L50-I79 HydrophobicContact CB-CD1 4.33Å; L50-I79 HydrophobicContact CD2-CG2 4.16Å; L51-I79 HydrophobicContact CD1-CD1 4.18Å; L51-I79 HydrophobicContact CD2-CD1 4.43Å; L51-I79 HydrophobicContact CG-CD1 3.94Å; S76-I79 PolarHBondContact O-N 3.14Å; S76-I79 WeakPolarHBondContact OG-CG1 3.09Å; S76-I79 PolarHBondContact OG-N 3.47Å; I79-A81 VanDerWaalsContact C-N 3.34Å; I79-A81 PolarHBondContact O-N 3.39Å; I79-E82 PolarHBondContact O-N 3.39Å; I79-I83 HydrophobicContact CG2-CD1 3.82Å; I79-I83 HydrophobicContact CG2-CG1 4.41Å; I79-I83 WeakPolarHBondContact O-CB 3.4Å; I79-I83 VanDerWaalsContact O-CG1 3.23Å; I79-I83 WeakPolarHBondContact O-CG1 3.47Å; I79-I83 PolarHBondContact O-N 3.09Å
80L94.7Very high92.2Very high1 Ų131.7 Ų31.71%0.00519%0.187CC..Hα-helixtrans-64.6-38.8177.9-66.2176.1000112.1H75 S76 A77 A84 L95 A118 L119H75-L80 HydrophobicContact CB-CD1 4.48Å; H75-L80 HydrophobicContact CB-CD2 3.79Å; H75-L80 HydrophobicContact CB-CG 3.98Å; S76-L80 WeakPolarHBondContact O-CG 3.26Å; S76-L80 PolarHBondContact O-N 2.86Å; A77-L80 PolarHBondContact O-N 3.2Å; L80-A84 WeakPolarHBondContact O-CB 3.38Å; L80-A84 PolarHBondContact O-N 2.95Å; L80-L95 HydrophobicContact CD2-CD1 3.58Å; L80-A118 HydrophobicContact CD1-CB 3.81Å; L80-L119 HydrophobicContact CD1-CD1 4.25Å; L80-L119 HydrophobicContact CD2-CD1 4.36Å; L80-L119 HydrophobicContact CD2-CG 4.43Å
81A92.9Very high92.6Very high49 Ų4930.9 Ų30.941%0.40518%0.178SC..Hα-helixtrans-65.7-42.1175.300000111.5A77 E78 I79 A84 R85A77-A81 WeakPolarHBondContact O-CB 3.36Å; A77-A81 PolarHBondContact O-N 3.08Å; E78-A81 PolarHBondContact O-N 3.31Å; I79-A81 VanDerWaalsContact C-N 3.34Å; I79-A81 PolarHBondContact O-N 3.39Å; A81-A84 PolarHBondContact O-N 3.45Å; A81-R85 PolarHBondContact O-N 3.27Å
82E93.4Very high92.9Very high25 Ų2532.3 Ų32.312%0.11719%0.188CC..Hα-helixtrans-65.3-42.6176.9-177.755.2-154.100111.8L50 L51 E78 I79 A84 R85 I86L50-E82 HydrophobicContact CD2-CG 4.26Å; L50-E82 HydrophobicContact CG-CG 3.96Å; L51-E82 HydrophobicContact CD2-CB 3.86Å; L51-E82 HydrophobicContact CD2-CG 4.16Å; E78-E82 WeakPolarHBondContact O-CB 3.44Å; E78-E82 PolarHBondContact O-N 2.97Å; I79-E82 PolarHBondContact O-N 3.39Å; E82-A84 VanDerWaalsContact C-N 3.32Å; E82-A84 PolarHBondContact O-N 3.46Å; E82-R85 VanDerWaalsContact CD-NE 3.32Å; E82-R85 WeakPolarHBondContact O-CB 3.18Å; E82-R85 PolarHBondContact O-N 3.41Å; E82-R85 VanDerWaalsContact O-N 3.12Å; E82-R85 IonicContact OE1-CZ 2.65Å; E82-R85 VanDerWaalsContact OE1-CZ 3.23Å; E82-R85 IonicContact OE1-NE 2.83Å; E82-R85 PolarHBondContact OE1-NE 3.2Å; E82-R85 VanDerWaalsContact OE1-NE 3.08Å; E82-R85 IonicContact OE1-NH2 3.2Å; E82-R85 PolarHBondContact OE1-NH2 2.63Å; E82-R85 IonicContact OE2-CZ 3.39Å; E82-R85 IonicContact OE2-NE 3.56Å; E82-R85 PolarHBondContact OE2-NE 3.17Å; E82-R85 IonicContact OE2-NH2 3.43Å; E82-I86 WeakPolarHBondContact O-CG1 3.37Å; E82-I86 PolarHBondContact O-N 2.8Å; E82-I86 WeakPolarHBondContact OE1-CG2 3.33Å
83I94.6Very high93.3Very high0 Ų032.3 Ų32.30%019%0.188CC..Hα-helixtrans-56.8-46.5171.7-74.4171.5000110.7L50 I63 I79 R85 I86 L87 L93L50-I83 HydrophobicContact CD2-CD1 4.39Å; L50-I83 HydrophobicContact CD2-CG1 3.75Å; I63-I83 HydrophobicContact CD1-CG2 4.17Å; I63-I83 HydrophobicContact CG2-CG2 4.26Å; I79-I83 HydrophobicContact CG2-CD1 3.82Å; I79-I83 HydrophobicContact CG2-CG1 4.41Å; I79-I83 WeakPolarHBondContact O-CB 3.4Å; I79-I83 VanDerWaalsContact O-CG1 3.23Å; I79-I83 WeakPolarHBondContact O-CG1 3.47Å; I79-I83 PolarHBondContact O-N 3.09Å; I83-R85 VanDerWaalsContact C-N 3.3Å; I83-R85 PolarHBondContact O-N 2.66Å; I83-I86 WeakPolarHBondContact O-CG1 3.43Å; I83-I86 PolarHBondContact O-N 2.88Å; I83-L87 HydrophobicContact CG2-CD1 3.81Å; I83-L87 WeakPolarHBondContact O-CB 3.39Å; I83-L87 WeakPolarHBondContact O-CD1 3.47Å; I83-L87 PolarHBondContact O-N 2.87Å; I83-L93 HydrophobicContact CG2-CD1 3.66Å; I83-L93 HydrophobicContact CG2-CD2 3.86Å; I83-L93 HydrophobicContact CG2-CG 4.25Å
84A93.9Very high93.6Very high9 Ų933 Ų337%0.07419%0.191CC..Hα-helixtrans-65.1-32.9177.400000112.5L80 A81 E82 S122 L124 K163L80-A84 WeakPolarHBondContact O-CB 3.38Å; L80-A84 PolarHBondContact O-N 2.95Å; A81-A84 PolarHBondContact O-N 3.45Å; E82-A84 VanDerWaalsContact C-N 3.32Å; E82-A84 PolarHBondContact O-N 3.46Å; A84-S122 VanDerWaalsContact CB-O 3.31Å; A84-S122 WeakPolarHBondContact CB-O 3.39Å; A84-L124 HydrophobicContact CB-CD2 4.2Å; A84-L124 HydrophobicContact CB-CG 4.47Å; A84-K163 VanDerWaalsContact O-CD 3.23Å; A84-K163 WeakPolarHBondContact O-CD 3.44Å; A84-K163 WeakPolarHBondContact O-CE 3.44Å; A84-K163 PolarHBondContact O-NZ 3.08Å
85R92.9Very high93.7Very high78 Ų7831.3 Ų31.329%0.29418%0.182SC..Hα-helixtrans-64.8-50.9175.1-169.7-170.471.478-2.9111.4H55 E57 S58 A81 E82 I83 K163H55-R85 PolarHBondContact O-NH1 3.23Å; H55-R85 VanDerWaalsContact O-NH1 3.07Å; H55-R85 PolarHBondContact O-NH2 2.83Å; E57-R85 HydrophobicContact CG-CG 4.13Å; E57-R85 WeakPolarHBondContact CG-O 3.5Å; S58-R85 PolarHBondContact N-O 3.14Å; S58-R85 VanDerWaalsContact N-O 3.08Å; A81-R85 PolarHBondContact O-N 3.27Å; E82-R85 VanDerWaalsContact CD-NE 3.32Å; E82-R85 WeakPolarHBondContact O-CB 3.18Å; E82-R85 PolarHBondContact O-N 3.41Å; E82-R85 VanDerWaalsContact O-N 3.12Å; E82-R85 IonicContact OE1-CZ 2.65Å; E82-R85 VanDerWaalsContact OE1-CZ 3.23Å; E82-R85 IonicContact OE1-NE 2.83Å; E82-R85 PolarHBondContact OE1-NE 3.2Å; E82-R85 VanDerWaalsContact OE1-NE 3.08Å; E82-R85 IonicContact OE1-NH2 3.2Å; E82-R85 PolarHBondContact OE1-NH2 2.63Å; E82-R85 IonicContact OE2-CZ 3.39Å; E82-R85 IonicContact OE2-NE 3.56Å; E82-R85 PolarHBondContact OE2-NE 3.17Å; E82-R85 IonicContact OE2-NH2 3.43Å; I83-R85 VanDerWaalsContact C-N 3.3Å; I83-R85 PolarHBondContact O-N 2.66Å; R85-K163 PolarHBondContact O-NZ 3.49Å; R85-K163 VanDerWaalsContact O-NZ 3.1Å
86I94.1Very high93.8Very high1 Ų132.2 Ų32.21%0.00519%0.186CC..Hα-helixtrans-78.7-19-17567.3179.2000113.5L50 H55 S58 S59 F60 I63 E82 I83L50-I86 HydrophobicContact CD1-CD1 4.04Å; H55-I86 HydrophobicContact CB-CB 4.43Å; H55-I86 HydrophobicContact CB-CG2 3.68Å; S58-I86 CarbonylContact C-O 3.53Å; S59-I86 PolarHBondContact N-O 2.75Å; F60-I86 HydrophobicContact CD2-CB 4.08Å; F60-I86 HydrophobicContact CD2-CD1 4.06Å; F60-I86 HydrophobicContact CD2-CG1 4.1Å; F60-I86 HydrophobicContact CE2-CD1 4.24Å; F60-I86 PolarHBondContact N-O 2.96Å; I63-I86 HydrophobicContact CD1-CD1 3.73Å; I63-I86 HydrophobicContact CD1-CG1 3.53Å; E82-I86 WeakPolarHBondContact O-CG1 3.37Å; E82-I86 PolarHBondContact O-N 2.8Å; E82-I86 WeakPolarHBondContact OE1-CG2 3.33Å; I83-I86 WeakPolarHBondContact O-CG1 3.43Å; I83-I86 PolarHBondContact O-N 2.88Å
87L94.8Very high93.8Very high0 Ų029.7 Ų29.70%017%0.168CC..EExtended strand (participates in β ladder)trans-64.5137.2168.1-97.1154.2000111S58 F60 I63 I83 L93 L124 K163S58-L87 WeakPolarHBondContact CA-O 3.48Å; S58-L87 PolarHBondContact OG-O 3.35Å; F60-L87 CarbonylContact O-C 3.55Å; I63-L87 HydrophobicContact CB-CD1 4.47Å; I63-L87 HydrophobicContact CD1-CD1 4.07Å; I63-L87 HydrophobicContact CD1-CD2 4.45Å; I63-L87 HydrophobicContact CD1-CG 3.63Å; I63-L87 HydrophobicContact CG1-CD1 4.25Å; I63-L87 HydrophobicContact CG1-CD2 4.14Å; I63-L87 HydrophobicContact CG1-CG 3.83Å; I83-L87 HydrophobicContact CG2-CD1 3.81Å; I83-L87 WeakPolarHBondContact O-CB 3.39Å; I83-L87 WeakPolarHBondContact O-CD1 3.47Å; I83-L87 PolarHBondContact O-N 2.87Å; L87-L93 HydrophobicContact CD1-CB 3.95Å; L87-L124 HydrophobicContact CD1-CD2 4.42Å; L87-K163 HydrophobicContact CB-CB 4.27Å; L87-K163 HydrophobicContact CB-CD 4.05Å; L87-K163 WeakPolarHBondContact O-CD 3.42Å; L87-K163 WeakPolarHBondContact O-CE 3.49Å; L87-K163 PolarHBondContact O-NZ 2.87Å
88R93.4Very high93.9Very high104 Ų10426 Ų2639%0.39214%0.138SC..EExtended strand (participates in β ladder)trans-74.1157.4171.275.3168.4-176.3-159.42.6111.6F60 D61 G90 G91F60-R88 WeakPolarHBondContact O-CG 3.47Å; F60-R88 PolarHBondContact O-N 2.68Å; D61-R88 WeakPolarHBondContact OD1-CD 3.32Å; D61-R88 IonicContact OD1-CZ 3.82Å; D61-R88 IonicContact OD1-NE 3.71Å; D61-R88 PolarHBondContact OD1-NE 3.18Å; D61-R88 IonicContact OD1-NH1 3.39Å; D61-R88 PolarHBondContact OD1-NH1 3.1Å; D61-R88 IonicContact OD1-NH2 2.86Å; D61-R88 IonicContact OD2-CZ 3.72Å; D61-R88 IonicContact OD2-NH1 2.97Å; D61-R88 PolarHBondContact OD2-NH1 2.72Å; R88-G90 PolarHBondContact O-N 3.35Å; R88-G91 WeakPolarHBondContact O-CA 3.43Å; R88-G91 PolarHBondContact O-N 3.08Å
89P93.2Very high93.8Very high45 Ų4520 Ų2029%0.29211%0.11SC..EExtended strand (participates in β ladder)trans-55.8129.5171.1-2334000111G91 E167P89-G91 PolarHBondContact O-N 2.94Å; P89-E167 HydrophobicContact CG-CG 4.15Å
90G91.1Very high93.7Very high26 Ų2620 Ų2027%0.26811%0.11SC..EExtended strand (participates in β ladder)trans79.5-3.8-173.700000115.3R88 K163 N165R88-G90 PolarHBondContact O-N 3.35Å; G90-K163 WeakPolarHBondContact CA-O 3.43Å; G90-K163 PolarHBondContact N-O 3Å; G90-N165 PolarHBondContact N-OD1 2.88Å
91G93.5Very high93.2Very high2 Ų224.1 Ų24.12%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-69.4158.4172.800000112.7D61 R88 P89 K162 K163D61-G91 CarbonylContact O-C 3.55Å; D61-G91 WeakPolarHBondContact O-CA 3.3Å; R88-G91 WeakPolarHBondContact O-CA 3.43Å; R88-G91 PolarHBondContact O-N 3.08Å; P89-G91 PolarHBondContact O-N 2.94Å; G91-K162 WeakPolarHBondContact O-CA 3.44Å; G91-K162 WeakPolarHBondContact O-CG 3.45Å; G91-K163 PolarHBondContact O-N 2.65Å
92C94.6Very high92.6Very high32 Ų3224.2 Ų24.222%0.21614%0.136CC..EExtended strand (participates in β ladder)trans-117.4133.5-173.8-65.40000112.3D61 I62 I63 F94D61-C92 PolarHBondContact O-N 3.24Å; I62-C92 VanDerWaalsContact CA-O 3.3Å; I62-C92 WeakPolarHBondContact CA-O 3.32Å; I63-C92 PolarHBondContact N-O 2.98Å; C92-F94 HydrophobicContact CB-CE2 4.01Å; C92-F94 HydrophobicContact CB-CZ 4.49Å
93L95.8Very high91.8Very high0 Ų028.4 Ų28.40%016%0.163CC..EExtended strand (participates in β ladder)trans-93.5137.1165.8176.760.5000109.4I63 I83 L87 L95 L119 L124 T160 G161I63-L93 HydrophobicContact CB-CD1 3.99Å; I63-L93 HydrophobicContact CG2-CD1 3.95Å; I83-L93 HydrophobicContact CG2-CD1 3.66Å; I83-L93 HydrophobicContact CG2-CD2 3.86Å; I83-L93 HydrophobicContact CG2-CG 4.25Å; L87-L93 HydrophobicContact CD1-CB 3.95Å; L93-L95 HydrophobicContact CD1-CB 4.49Å; L93-L95 HydrophobicContact CD2-CB 4.38Å; L93-L95 HydrophobicContact CD2-CD1 4.33Å; L93-L95 HydrophobicContact CG-CB 4.25Å; L93-L119 HydrophobicContact CD2-CD2 4.12Å; L93-L124 HydrophobicContact CB-CD1 4.25Å; L93-L124 HydrophobicContact CD2-CD1 3.52Å; L93-T160 WeakPolarHBondContact O-CA 3.16Å; L93-T160 WeakPolarHBondContact O-CB 3.43Å; L93-T160 PolarHBondContact O-OG1 2.75Å; L93-G161 PolarHBondContact N-O 3.39Å; L93-G161 PolarHBondContact O-N 3.38Å; L93-G161 VanDerWaalsContact O-N 3.13Å
94F95.6Very high90.9Very high17 Ų1731.5 Ų31.58%0.07518%0.179CC..EExtended strand (participates in β ladder)trans-122.3121.1161-59.9-90.9000108.8F4 I62 I63 L64 S65 L67 C92 L130F4-F94 HydrophobicContact CB-CD2 4.32Å; F4-F94 HydrophobicContact CB-CE2 4.01Å; F4-F94 HydrophobicContact CB-CZ 4.31Å; F4-F94 HydrophobicContact CD1-CB 4Å; F4-F94 AromaticContact CD1-CD1 3.73Å; F4-F94 HydrophobicContact CD1-CD1 3.73Å; F4-F94 AromaticContact CD1-CD2 3.78Å; F4-F94 HydrophobicContact CD1-CD2 3.78Å; F4-F94 HydrophobicContact CD1-CE1 4.06Å; F4-F94 HydrophobicContact CD1-CE2 4.12Å; F4-F94 AromaticContact CD1-CG 3.57Å; F4-F94 HydrophobicContact CD1-CG 3.57Å; F4-F94 HydrophobicContact CD1-CZ 4.25Å; F4-F94 HydrophobicContact CE1-CB 4.08Å; F4-F94 HydrophobicContact CE1-CD1 4.2Å; F4-F94 HydrophobicContact CE1-CG 4.09Å; F4-F94 WeakPolarHBondContact O-CE2 3.01Å; I62-F94 HydrophobicContact CG2-CD2 4.01Å; I62-F94 HydrophobicContact CG2-CE2 4.13Å; I63-F94 PolarHBondContact O-N 2.88Å; L64-F94 WeakPolarHBondContact CA-O 3.38Å; L64-F94 HydrophobicContact CD2-CB 3.87Å; L64-F94 HydrophobicContact CD2-CD2 3.81Å; L64-F94 HydrophobicContact CD2-CG 4.22Å; S65-F94 PolarHBondContact N-O 2.81Å; L67-F94 HydrophobicContact CD1-CB 3.64Å; L67-F94 WeakPolarHBondContact CD1-O 3.33Å; C92-F94 HydrophobicContact CB-CE2 4.01Å; C92-F94 HydrophobicContact CB-CZ 4.49Å; F94-L130 HydrophobicContact CD1-CD1 3.77Å; F94-L130 HydrophobicContact CE1-CD1 3.88Å
95L95.2Very high89.9Confident0 Ų037.8 Ų37.80%021%0.212CC..EExtended strand (participates in β ladder)trans-124.5136.5-173.1-179152.4000109.4S65 H75 L80 L93 E97 L115 L119 Q158 I159S65-L95 WeakPolarHBondContact O-CA 3.29Å; H75-L95 HydrophobicContact CB-CD1 4.21Å; L80-L95 HydrophobicContact CD2-CD1 3.58Å; L93-L95 HydrophobicContact CD1-CB 4.49Å; L93-L95 HydrophobicContact CD2-CB 4.38Å; L93-L95 HydrophobicContact CD2-CD1 4.33Å; L93-L95 HydrophobicContact CG-CB 4.25Å; L95-E97 HydrophobicContact CD2-CB 3.75Å; L95-L115 HydrophobicContact CD2-CD1 4.31Å; L95-L115 HydrophobicContact CD2-CD2 4Å; L95-L119 HydrophobicContact CD1-CD1 4.45Å; L95-Q158 CarbonylContact O-C 3.58Å; L95-Q158 VanDerWaalsContact O-CA 3.29Å; L95-Q158 WeakPolarHBondContact O-CA 3.09Å; L95-I159 PolarHBondContact N-O 2.81Å; L95-I159 PolarHBondContact O-N 2.62Å
96K94.4Very high88.8Confident19 Ų1941.6 Ų41.68%0.08324%0.238CC..EExtended strand (participates in β ladder)trans-122.7121.7169.7-169.8-177.777.1158.70109.2S65 G66 L67 F156S65-K96 PolarHBondContact O-N 2.91Å; G66-K96 VanDerWaalsContact O-CE 3.28Å; G66-K96 WeakPolarHBondContact O-CE 3.35Å; L67-K96 HydrophobicContact CD2-CB 3.77Å; L67-K96 HydrophobicContact CD2-CD 4.48Å; L67-K96 HydrophobicContact CG-CB 4.19Å; K96-F156 HydrophobicContact CD-CB 4.35Å; K96-F156 HydrophobicContact CD-CD1 4.05Å; K96-F156 HydrophobicContact CD-CG 4.21Å; K96-F156 HydrophobicContact CG-CB 4.28Å; K96-F156 HydrophobicContact CG-CD1 3.76Å; K96-F156 HydrophobicContact CG-CE1 4.44Å; K96-F156 HydrophobicContact CG-CG 4.26Å
97E94.1Very high87.8Confident0 Ų042.6 Ų42.60%025%0.245CC..EExtended strand (participates in β ladder)trans-134.3139.5-179.8173.9164.5142.200109.1L74 H75 L95 K110 L115 V157L74-E97 HydrophobicContact CD2-CG 3.91Å; H75-E97 WeakPolarHBondContact CB-OE2 3.39Å; H75-E97 IonicContact CE1-OE2 3.45Å; H75-E97 IonicContact CG-OE2 3.63Å; H75-E97 PolarHBondContact N-OE2 3.27Å; H75-E97 IonicContact ND1-OE2 2.74Å; H75-E97 PolarHBondContact ND1-OE2 3.25Å; L95-E97 HydrophobicContact CD2-CB 3.75Å; E97-K110 IonicContact OE1-NZ 2.75Å; E97-K110 PolarHBondContact OE1-NZ 3.2Å; E97-K110 IonicContact OE2-NZ 3.38Å; E97-L115 HydrophobicContact CB-CD2 3.74Å; E97-L115 HydrophobicContact CG-CD2 4.13Å; E97-V157 PolarHBondContact N-O 3.33Å; E97-V157 PolarHBondContact O-N 3.49Å
98P92.8Very high87.2Confident0 Ų051 Ų510%028%0.282CS..EExtended strand (participates in β ladder)trans-70.2129.8168.930.1-32.2000108.6T73 L74 V109 V143 L147 L155 F156T73-P98 WeakPolarHBondContact O-CD 2.91Å; L74-P98 HydrophobicContact CD2-CG 4.09Å; P98-V109 WeakPolarHBondContact O-CG1 3.36Å; P98-V143 HydrophobicContact CB-CG2 4.39Å; P98-V143 HydrophobicContact CG-CG2 4.39Å; P98-L147 HydrophobicContact CG-CD1 4.15Å; P98-L155 WeakPolarHBondContact CA-O 3.22Å; P98-F156 HydrophobicContact CB-CD1 4.18Å; P98-F156 HydrophobicContact CB-CE1 3.94Å; P98-F156 HydrophobicContact CB-CZ 4.46Å; P98-F156 HydrophobicContact CG-CE1 4.17Å
99V92.2Very high87Confident4 Ų446.5 Ų46.52%0.02427%0.266CS..EExtended strand (participates in β ladder)trans-125.2153.6178.8-62.10000110.3K110 A112 L115 L154 L155 V157V99-K110 WeakPolarHBondContact CA-O 3.4Å; V99-K110 WeakPolarHBondContact CB-O 3.4Å; V99-K110 WeakPolarHBondContact CG1-O 3.47Å; V99-A112 HydrophobicContact CG2-CB 4.32Å; V99-L115 HydrophobicContact CG1-CD2 3.87Å; V99-L154 WeakPolarHBondContact O-CA 3.33Å; V99-L155 WeakPolarHBondContact CG2-O 3.49Å; V99-L155 PolarHBondContact N-O 2.87Å; V99-L155 PolarHBondContact O-N 2.81Å; V99-V157 HydrophobicContact CG2-CB 3.93Å; V99-V157 HydrophobicContact CG2-CG2 3.27Å
100E90.4Very high86.8Confident9 Ų945.8 Ų45.84%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-89.3144.8171.6-74.1168.3-150.300111.2A102 D104 S107 V109 K110 H149 L154E100-A102 VanDerWaalsContact CB-O 3.29Å; E100-A102 WeakPolarHBondContact CB-O 3.34Å; E100-D104 WeakPolarHBondContact OE2-CB 3.05Å; E100-D104 PolarHBondContact OE2-N 3.44Å; E100-S107 WeakPolarHBondContact OE1-CB 3.43Å; E100-S107 PolarHBondContact OE1-OG 3.37Å; E100-V109 HydrophobicContact CB-CG1 4.47Å; E100-V109 HydrophobicContact CG-CB 4.21Å; E100-V109 HydrophobicContact CG-CG1 3.84Å; E100-V109 WeakPolarHBondContact OE1-CB 3.3Å; E100-K110 PolarHBondContact N-O 3Å; E100-K110 VanDerWaalsContact N-O 3.1Å; E100-H149 IonicContact OE1-CD2 3.89Å; E100-H149 IonicContact OE1-CE1 2.72Å; E100-H149 PolarHBondContact OE1-CE1 3.3Å; E100-H149 IonicContact OE1-ND1 3.5Å; E100-H149 IonicContact OE1-NE2 3.03Å; E100-H149 PolarHBondContact OE1-NE2 3.11Å; E100-L154 HydrophobicContact CG-CD2 3.65Å
101T84.3Confident86.9Confident86 Ų8646.3 Ų46.353%0.52826%0.256SS..SBendtrans-82.6-27.7172.6530000112.7H153 L155T101-H153 PolarHBondContact N-O 3.49Å; T101-H153 WeakPolarHBondContact OG1-CB 3.45Å; T101-H153 PolarHBondContact OG1-O 3.41Å; T101-H153 VanDerWaalsContact OG1-O 3.07Å; T101-L155 HydrophobicContact CG2-CD1 3.43Å; T101-L155 VanDerWaalsContact CG2-CD1 3.43Å; T101-L155 HydrophobicContact CG2-CG 3.99Å
102A80.3Confident86.9Confident51 Ų5146.8 Ų46.842%0.42126%0.26SS..SBendtrans-97.8156.1171.400000110.1E100 D104E100-A102 VanDerWaalsContact CB-O 3.29Å; E100-A102 WeakPolarHBondContact CB-O 3.34Å; A102-D104 PolarHBondContact O-N 2.88Å
103V76.6Confident86.8Confident113 Ų11349.3 Ų49.369%0.68528%0.278SS*.  trans-84.6103.1173.2-178.90000107.7T111V103-T111 HydrophobicContact CG2-CG2 4.02Å
104D74.8Confident86.7Confident65 Ų6555.7 Ų55.735%0.34831%0.306SS..  trans-94.3127.8158.4-1683.2000109.6E100 A102 N106 H149E100-D104 WeakPolarHBondContact OE2-CB 3.05Å; E100-D104 PolarHBondContact OE2-N 3.44Å; A102-D104 PolarHBondContact O-N 2.88Å; D104-N106 PolarHBondContact OD1-N 3.4Å; D104-H149 IonicContact OD2-NE2 3.93Å
105N72.9Confident86.6Confident142 Ų14254.9 Ų54.976%0.75930%0.302SS*.SBendtrans-87.7-11.6176.8-72.8-36.9000112.3
106N70.6Confident86.5Confident157 Ų15756.3 Ų56.384%0.8431%0.312SS*.SBendtrans-94.1-9.3-178-70.6-18.6000113.1D104D104-N106 PolarHBondContact OD1-N 3.4Å
107S74.1Confident86.5Confident23 Ų2358.1 Ų58.116%0.16133%0.327CS..SBendtrans-98.4153.8-179.988.50000112.6E100 V109 H149E100-S107 WeakPolarHBondContact OE1-CB 3.43Å; E100-S107 PolarHBondContact OE1-OG 3.37Å; S107-V109 PolarHBondContact OG-N 3.06Å; S107-V109 PolarHBondContact OG-O 3.47Å; S107-H149 WeakPolarHBondContact CB-CD2 3.23Å; S107-H149 WeakPolarHBondContact CB-NE2 3.4Å
108K81.7Confident86.6Confident177 Ų17759.2 Ų59.277%0.7734%0.336SS*.SBendtrans-79.1-8.7171-67.2179.3-177.5178.50112.3L74L74-K108 HydrophobicContact CD1-CB 4.04Å
109V88.3Confident86.7Confident9 Ų959.2 Ų59.26%0.05534%0.336CS..PPolyproline II helixtrans-78.8137.1-177.8-177.30000108.2P98 E100 S107 H149 L154P98-V109 WeakPolarHBondContact O-CG1 3.36Å; E100-V109 HydrophobicContact CB-CG1 4.47Å; E100-V109 HydrophobicContact CG-CB 4.21Å; E100-V109 HydrophobicContact CG-CG1 3.84Å; E100-V109 WeakPolarHBondContact OE1-CB 3.3Å; S107-V109 PolarHBondContact OG-N 3.06Å; S107-V109 PolarHBondContact OG-O 3.47Å; V109-H149 HydrophobicContact CG2-CB 4.3Å; V109-L154 HydrophobicContact CG1-CD2 4.06Å
110K90.3Very high86.8Confident30 Ų3062.9 Ų62.913%0.1336%0.358CS..EExtended strand (participates in β ladder)trans-96.6159.6-175.9-56.7179.5-154.269.30109.4H75 E97 V99 E100 K114 L115H75-K110 VanDerWaalsContact O-CE 3.27Å; H75-K110 WeakPolarHBondContact O-CE 3.48Å; H75-K110 PolarHBondContact O-NZ 3.05Å; E97-K110 IonicContact OE1-NZ 2.75Å; E97-K110 PolarHBondContact OE1-NZ 3.2Å; E97-K110 IonicContact OE2-NZ 3.38Å; V99-K110 WeakPolarHBondContact CA-O 3.4Å; V99-K110 WeakPolarHBondContact CB-O 3.4Å; V99-K110 WeakPolarHBondContact CG1-O 3.47Å; E100-K110 PolarHBondContact N-O 3Å; E100-K110 VanDerWaalsContact N-O 3.1Å; K110-K114 HydrophobicContact CB-CB 4.27Å; K110-K114 HydrophobicContact CB-CD 4.34Å; K110-K114 HydrophobicContact CB-CG 4.38Å; K110-K114 HydrophobicContact CG-CD 4.36Å; K110-L115 HydrophobicContact CD-CD1 4.47Å
111T92.8Very high87Confident36 Ų3669.8 Ų69.822%0.22139%0.394CS..EExtended strand (participates in β ladder)trans-78.2159.1162.262.90000110.4V103 S113 K114 L115V103-T111 HydrophobicContact CG2-CG2 4.02Å; T111-S113 PolarHBondContact O-N 3.28Å; T111-K114 PolarHBondContact O-N 2.9Å; T111-K114 VanDerWaalsContact O-N 3.08Å; T111-K114 WeakPolarHBondContact OG1-CB 3.17Å; T111-K114 PolarHBondContact OG1-N 3.31Å; T111-L115 PolarHBondContact O-N 3.45Å
112A92.9Very high87.3Confident12 Ų1266.7 Ų66.710%0.09938%0.376CS..Hα-helixtrans-53.6-41.8176.800000112.6V99 L115 C116 V157V99-A112 HydrophobicContact CG2-CB 4.32Å; A112-L115 PolarHBondContact O-N 3.02Å; A112-C116 PolarHBondContact O-N 3.39Å; A112-C116 PolarHBondContact O-SG 3.42Å; A112-C116 VanDerWaalsContact O-SG 3.35Å; A112-V157 HydrophobicContact CB-CG2 4.38Å
113S92.7Very high87.8Confident85 Ų8566.1 Ų66.159%0.59438%0.376SS*.Hα-helixtrans-65.5-40.5178.1-171.10000112.6T111 L115 C116 S117T111-S113 PolarHBondContact O-N 3.28Å; S113-L115 VanDerWaalsContact C-N 3.33Å; S113-C116 PolarHBondContact O-N 2.89Å; S113-S117 WeakPolarHBondContact O-CB 3.46Å; S113-S117 PolarHBondContact O-N 3.13Å; S113-S117 PolarHBondContact O-OG 2.9Å
114K93.1Very high88.7Confident135 Ų13560.9 Ų60.959%0.58734%0.344SS*.Hα-helixtrans-67.9-36.6178-173.1174.8-176.9179.90110.9K110 T111 S117 A118K110-K114 HydrophobicContact CB-CB 4.27Å; K110-K114 HydrophobicContact CB-CD 4.34Å; K110-K114 HydrophobicContact CB-CG 4.38Å; K110-K114 HydrophobicContact CG-CD 4.36Å; T111-K114 PolarHBondContact O-N 2.9Å; T111-K114 VanDerWaalsContact O-N 3.08Å; T111-K114 WeakPolarHBondContact OG1-CB 3.17Å; T111-K114 PolarHBondContact OG1-N 3.31Å; K114-S117 PolarHBondContact O-N 3.37Å; K114-A118 WeakPolarHBondContact O-CB 3.29Å; K114-A118 PolarHBondContact O-N 2.88Å
115L94Very high89.6Confident0 Ų060.6 Ų60.60%034%0.344CS..Hα-helixtrans-65-49.3174.1-176.260.3000111.8L95 E97 V99 K110 T111 A112 S113 S117 A118 L119 I159L95-L115 HydrophobicContact CD2-CD1 4.31Å; L95-L115 HydrophobicContact CD2-CD2 4Å; E97-L115 HydrophobicContact CB-CD2 3.74Å; E97-L115 HydrophobicContact CG-CD2 4.13Å; V99-L115 HydrophobicContact CG1-CD2 3.87Å; K110-L115 HydrophobicContact CD-CD1 4.47Å; T111-L115 PolarHBondContact O-N 3.45Å; A112-L115 PolarHBondContact O-N 3.02Å; S113-L115 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 3.3Å; L115-A118 WeakPolarHBondContact O-CB 3.36Å; L115-A118 PolarHBondContact O-N 3.43Å; L115-A118 VanDerWaalsContact O-N 3.08Å; L115-L119 HydrophobicContact CD1-CD1 3.79Å; L115-L119 HydrophobicContact CG-CD1 3.97Å; L115-L119 WeakPolarHBondContact O-CD1 3.42Å; L115-L119 PolarHBondContact O-N 3.12Å; L115-I159 HydrophobicContact CB-CD1 4.12Å; L115-I159 HydrophobicContact CD2-CD1 3.45Å; L115-I159 VanDerWaalsContact CD2-CD1 3.45Å; L115-I159 HydrophobicContact CD2-CG1 4.5Å; L115-I159 HydrophobicContact CG-CD1 3.59Å
116C94Very high90.6Very high30 Ų3059.1 Ų59.120%0.20333%0.333CS..Hα-helixtrans-56.1-40.9174.2-69.40000112.5A112 S113 L119 T120 V127A112-C116 PolarHBondContact O-N 3.39Å; A112-C116 PolarHBondContact O-SG 3.42Å; A112-C116 VanDerWaalsContact O-SG 3.35Å; S113-C116 PolarHBondContact O-N 2.89Å; C116-L119 PolarHBondContact O-N 3.01Å; C116-T120 PolarHBondContact O-N 3.07Å; C116-T120 VanDerWaalsContact O-N 3.09Å; C116-T120 PolarHBondContact O-OG1 3.02Å; C116-V127 HydrophobicContact CB-CG1 4.22Å
117S94.6Very high91.7Very high57 Ų5753.3 Ų53.340%0.39930%0.303SS..Hα-helixtrans-65-41.7176.9-55.20000111.3S113 K114 L115 L119 T120 L121S113-S117 WeakPolarHBondContact O-CB 3.46Å; S113-S117 PolarHBondContact O-N 3.13Å; S113-S117 PolarHBondContact O-OG 2.9Å; K114-S117 PolarHBondContact O-N 3.37Å; L115-S117 PolarHBondContact O-N 3.3Å; S117-L119 PolarHBondContact O-N 3.2Å; S117-T120 WeakPolarHBondContact O-CB 3.44Å; S117-T120 PolarHBondContact O-N 2.84Å; S117-T120 VanDerWaalsContact O-N 3.16Å; S117-L121 VanDerWaalsContact O-CG 3.3Å; S117-L121 WeakPolarHBondContact O-CG 3.44Å; S117-L121 PolarHBondContact O-N 3.02Å
118A94.9Very high92.7Very high22 Ų2258 Ų5818%0.18232%0.321CS..Hα-helixtrans-61.6-41.5176.500000112.5L80 K114 L115 T120 L121 S122L80-A118 HydrophobicContact CD1-CB 3.81Å; K114-A118 WeakPolarHBondContact O-CB 3.29Å; K114-A118 PolarHBondContact O-N 2.88Å; L115-A118 WeakPolarHBondContact O-CB 3.36Å; L115-A118 PolarHBondContact O-N 3.43Å; L115-A118 VanDerWaalsContact O-N 3.08Å; A118-T120 VanDerWaalsContact C-N 3.3Å; A118-T120 PolarHBondContact O-N 2.89Å; A118-L121 PolarHBondContact O-N 3.16Å; A118-S122 PolarHBondContact O-N 2.78Å
119L94.9Very high93.3Very high0 Ų053.1 Ų53.10%030%0.3CS..Hα-helixtrans-63.8-36.7173.9-84.481.4000112.2L80 L93 L95 L115 C116 S117 S122 L124 V127 I159L80-L119 HydrophobicContact CD1-CD1 4.25Å; L80-L119 HydrophobicContact CD2-CD1 4.36Å; L80-L119 HydrophobicContact CD2-CG 4.43Å; L93-L119 HydrophobicContact CD2-CD2 4.12Å; L95-L119 HydrophobicContact CD1-CD1 4.45Å; L115-L119 HydrophobicContact CD1-CD1 3.79Å; L115-L119 HydrophobicContact CG-CD1 3.97Å; L115-L119 WeakPolarHBondContact O-CD1 3.42Å; L115-L119 PolarHBondContact O-N 3.12Å; C116-L119 PolarHBondContact O-N 3.01Å; S117-L119 PolarHBondContact O-N 3.2Å; L119-S122 PolarHBondContact O-N 2.88Å; L119-S122 PolarHBondContact O-OG 3.45Å; L119-L124 HydrophobicContact CB-CD1 4.32Å; L119-L124 HydrophobicContact CD2-CD1 4.17Å; L119-L124 HydrophobicContact CG-CD1 4.26Å; L119-L124 WeakPolarHBondContact O-CB 3.31Å; L119-L124 PolarHBondContact O-N 3.03Å; L119-V127 HydrophobicContact CB-CG1 4.09Å; L119-V127 HydrophobicContact CB-CG2 4.02Å; L119-V127 HydrophobicContact CD2-CG1 4.24Å; L119-I159 HydrophobicContact CD2-CB 4.45Å; L119-I159 HydrophobicContact CD2-CG2 3.8Å
120T94.8Very high93.4Very high82 Ų8256.5 Ų56.550%0.50332%0.318SS..Hα-helixtrans-68.2-42.8177.6-53.20000110.7C116 S117 A118 S122 G123C116-T120 PolarHBondContact O-N 3.07Å; C116-T120 VanDerWaalsContact O-N 3.09Å; C116-T120 PolarHBondContact O-OG1 3.02Å; S117-T120 WeakPolarHBondContact O-CB 3.44Å; S117-T120 PolarHBondContact O-N 2.84Å; S117-T120 VanDerWaalsContact O-N 3.16Å; A118-T120 VanDerWaalsContact C-N 3.3Å; A118-T120 PolarHBondContact O-N 2.89Å; T120-S122 VanDerWaalsContact C-N 3.28Å; T120-S122 PolarHBondContact O-N 3.13Å; T120-G123 PolarHBondContact O-N 2.78Å; T120-G123 VanDerWaalsContact O-N 3.13Å
121L93.4Very high93.4Very high153 Ų15359.5 Ų59.580%0.80133%0.332SS*.Hα-helixtrans-68.1-26.4177.7-69.1171.1000112.9S117 A118 G123S117-L121 VanDerWaalsContact O-CG 3.3Å; S117-L121 WeakPolarHBondContact O-CG 3.44Å; S117-L121 PolarHBondContact O-N 3.02Å; A118-L121 PolarHBondContact O-N 3.16Å; L121-G123 PolarHBondContact O-N 2.86Å
122S92.2Very high93.4Very high21 Ų2164.3 Ų64.315%0.14735%0.347CS..THydrogen-bonded Turntrans-76.20.2173.475.80000113.7A84 A118 L119 T120A84-S122 VanDerWaalsContact CB-O 3.31Å; A84-S122 WeakPolarHBondContact CB-O 3.39Å; A118-S122 PolarHBondContact O-N 2.78Å; L119-S122 PolarHBondContact O-N 2.88Å; L119-S122 PolarHBondContact O-OG 3.45Å; T120-S122 VanDerWaalsContact C-N 3.28Å; T120-S122 PolarHBondContact O-N 3.13Å
123G90.9Very high93.3Very high40 Ų4068.1 Ų68.141%0.41236%0.362SS..THydrogen-bonded Turntrans96.510.6175.400000115.2T120 L121 P164T120-G123 PolarHBondContact O-N 2.78Å; T120-G123 VanDerWaalsContact O-N 3.13Å; L121-G123 PolarHBondContact O-N 2.86Å; G123-P164 WeakPolarHBondContact O-CD 3.46Å
124L93.9Very high93.2Very high2 Ų268.9 Ų68.91%0.0137%0.365CS..  trans-85.4144.1174.2-58.7171.9000111A84 L87 L93 L119 V127 K163A84-L124 HydrophobicContact CB-CD2 4.2Å; A84-L124 HydrophobicContact CB-CG 4.47Å; L87-L124 HydrophobicContact CD1-CD2 4.42Å; L93-L124 HydrophobicContact CB-CD1 4.25Å; L93-L124 HydrophobicContact CD2-CD1 3.52Å; L119-L124 HydrophobicContact CB-CD1 4.32Å; L119-L124 HydrophobicContact CD2-CD1 4.17Å; L119-L124 HydrophobicContact CG-CD1 4.26Å; L119-L124 WeakPolarHBondContact O-CB 3.31Å; L119-L124 PolarHBondContact O-N 3.03Å; L124-V127 HydrophobicContact CB-CG2 4.31Å; L124-K163 HydrophobicContact CD2-CB 4.37Å
125V94.5Very high93Very high59 Ų5963.7 Ų63.736%0.35834%0.344SS..EExtended strand (participates in β ladder)trans-112.2168.6174.9-61.60000110.6V127 K162 P164V125-V127 PolarHBondContact O-N 2.84Å; V125-K162 VanDerWaalsContact CG2-O 3.29Å; V125-K162 WeakPolarHBondContact CG2-O 3.32Å; V125-K162 PolarHBondContact N-O 2.96Å; V125-K162 PolarHBondContact O-N 2.85Å; V125-P164 HydrophobicContact CG1-CB 4.01Å; V125-P164 HydrophobicContact CG1-CG 4.18Å; V125-P164 HydrophobicContact CG2-CB 3.96Å
126E93.6Very high92.8Very high111 Ų11166.5 Ų66.552%0.51936%0.361SS..EExtended strand (participates in β ladder)trans54.636.6-178.6-59.5179.2-164.700113.3K128 K162E126-K128 PolarHBondContact O-N 3.06Å; E126-K162 IonicContact OE2-NZ 3.64Å
127V94.9Very high92.5Very high35 Ų3570 Ų7021%0.21238%0.383CS..EExtended strand (participates in β ladder)trans-64.9119.8179.5-1760000109.8C116 L119 L124 V125 I159 T160C116-V127 HydrophobicContact CB-CG1 4.22Å; L119-V127 HydrophobicContact CB-CG1 4.09Å; L119-V127 HydrophobicContact CB-CG2 4.02Å; L119-V127 HydrophobicContact CD2-CG1 4.24Å; L124-V127 HydrophobicContact CB-CG2 4.31Å; V125-V127 PolarHBondContact O-N 2.84Å; V127-I159 HydrophobicContact CG1-CG2 3.58Å; V127-T160 CarbonylContact C-O 3.59Å; V127-T160 VanDerWaalsContact CA-O 3.26Å; V127-T160 WeakPolarHBondContact CA-O 3.3Å
128K94.1Very high92.1Very high122 Ų12273.4 Ų73.453%0.5339%0.393SS..EExtended strand (participates in β ladder)trans-136.1134.1-176.4-67.9171.7-169.3171.80110.9E126 I159 T160E126-K128 PolarHBondContact O-N 3.06Å; K128-I159 CarbonylContact O-C 3.56Å; K128-I159 WeakPolarHBondContact O-CA 3.2Å; K128-I159 WeakPolarHBondContact O-CG2 3.48Å; K128-T160 HydrophobicContact CB-CG2 3.96Å; K128-T160 PolarHBondContact N-O 3.06Å; K128-T160 PolarHBondContact O-N 2.66Å
129E94.1Very high91.7Very high74 Ų7473.2 Ų73.235%0.34639%0.388SS..EExtended strand (participates in β ladder)trans-75.6125.8167.8-158.2-171.810800109.4R132 V157 I159E129-R132 VanDerWaalsContact CD-NE 3.34Å; E129-R132 WeakPolarHBondContact OE1-CD 3.14Å; E129-R132 WeakPolarHBondContact OE1-CG 3.45Å; E129-R132 IonicContact OE1-CZ 3.82Å; E129-R132 IonicContact OE1-NE 2.7Å; E129-R132 PolarHBondContact OE1-NE 2.62Å; E129-R132 IonicContact OE1-NH2 3.73Å; E129-R132 PolarHBondContact OE1-NH2 2.98Å; E129-R132 IonicContact OE2-CZ 3.64Å; E129-R132 IonicContact OE2-NE 3.07Å; E129-R132 PolarHBondContact OE2-NE 3.43Å; E129-R132 IonicContact OE2-NH2 3.08Å; E129-R132 PolarHBondContact OE2-NH2 3.13Å; E129-V157 HydrophobicContact CG-CG1 3.36Å; E129-I159 HydrophobicContact CG-CG1 4.42Å
130L90.6Very high91.4Very high80 Ų8075.7 Ų75.742%0.41940%0.403SS..EExtended strand (participates in β ladder)trans-96.4-49.8-178-64.1-178.2000111.7F94 Q158 T160F94-L130 HydrophobicContact CD1-CD1 3.77Å; F94-L130 HydrophobicContact CE1-CD1 3.88Å; L130-Q158 HydrophobicContact CB-CB 4.49Å; L130-Q158 HydrophobicContact CB-CG 4.4Å; L130-Q158 HydrophobicContact CD1-CG 4.41Å; L130-Q158 PolarHBondContact N-O 3.18Å; L130-T160 HydrophobicContact CD1-CG2 4.02Å; L130-T160 HydrophobicContact CD2-CG2 3.78Å; L130-T160 HydrophobicContact CG-CG2 3.89Å
131Q90.6Very high91Very high94 Ų9476.6 Ų76.644%0.43940%0.402SS..EExtended strand (participates in β ladder)trans-148.7150.6-171.2-63.5-174.1-4.300111.1Q158Q131-Q158 HydrophobicContact CB-CB 4.26Å; Q131-Q158 PolarHBondContact N-O 3.08Å; Q131-Q158 PolarHBondContact O-N 2.83Å
132R93.1Very high90.7Very high137 Ų13770.4 Ų70.452%0.51737%0.371SS..EExtended strand (participates in β ladder)trans-122129.8167.2-55.2-159.6174.1178.7-2.1109.4E129 F156 V157E129-R132 VanDerWaalsContact CD-NE 3.34Å; E129-R132 WeakPolarHBondContact OE1-CD 3.14Å; E129-R132 WeakPolarHBondContact OE1-CG 3.45Å; E129-R132 IonicContact OE1-CZ 3.82Å; E129-R132 IonicContact OE1-NE 2.7Å; E129-R132 PolarHBondContact OE1-NE 2.62Å; E129-R132 IonicContact OE1-NH2 3.73Å; E129-R132 PolarHBondContact OE1-NH2 2.98Å; E129-R132 IonicContact OE2-CZ 3.64Å; E129-R132 IonicContact OE2-NE 3.07Å; E129-R132 PolarHBondContact OE2-NE 3.43Å; E129-R132 IonicContact OE2-NH2 3.08Å; E129-R132 PolarHBondContact OE2-NH2 3.13Å; R132-F156 CarbonylContact C-O 3.53Å; R132-F156 VanDerWaalsContact CA-O 3.25Å; R132-F156 WeakPolarHBondContact CA-O 3.43Å; R132-V157 HydrophobicContact CG-CG2 4Å
133E91.3Very high90.4Very high91 Ų9169.4 Ų69.443%0.42536%0.364SS..EExtended strand (participates in β ladder)trans-127.7139.5180-63.2-172155.800110.4F156E133-F156 HydrophobicContact CB-CB 4.32Å; E133-F156 PolarHBondContact N-O 2.9Å; E133-F156 PolarHBondContact O-N 3.33Å
134P90.7Very high90.2Very high102 Ų10272 Ų7266%0.66236%0.362SS*.EExtended strand (participates in β ladder)trans-68.8148.5169.230.8-33.4000110.2
135L88.3Confident89.9Confident26 Ų2678 Ų7814%0.13639%0.389CS..PPolyproline II helixtrans-74.6143.2177.6-75.870.2000110.5E139 V140 V143 L154 L155 F156L135-E139 HydrophobicContact CB-CB 4.23Å; L135-E139 HydrophobicContact CG-CB 4.44Å; L135-V140 HydrophobicContact CB-CG2 3.67Å; L135-V140 HydrophobicContact CD2-CG2 4.14Å; L135-V143 HydrophobicContact CD2-CG2 3.88Å; L135-L154 HydrophobicContact CD1-CB 3.91Å; L135-L154 WeakPolarHBondContact CD1-O 3.28Å; L135-L154 HydrophobicContact CD2-CB 3.97Å; L135-L154 HydrophobicContact CD2-CD1 4.28Å; L135-L155 VanDerWaalsContact CD1-C 3.47Å; L135-L155 VanDerWaalsContact CD1-CA 3.44Å; L135-F156 HydrophobicContact CB-CE2 4.47Å; L135-F156 HydrophobicContact CD1-CD2 3.91Å; L135-F156 HydrophobicContact CD1-CE2 4.29Å; L135-F156 HydrophobicContact CD1-CG 4.39Å; L135-F156 HydrophobicContact CD2-CE2 4.29Å; L135-F156 HydrophobicContact CG-CD2 3.71Å; L135-F156 HydrophobicContact CG-CE2 3.62Å; L135-F156 HydrophobicContact CG-CZ 4.45Å
136T89.7Confident89.4Confident59 Ų5979.1 Ų79.136%0.36239%0.388SS..PPolyproline II helixtrans-74.4159.6166.979.90000110.8E138 E139 V140T136-E138 VanDerWaalsContact CB-OE2 3.24Å; T136-E138 WeakPolarHBondContact CB-OE2 3.44Å; T136-E138 PolarHBondContact O-N 2.86Å; T136-E138 PolarHBondContact OG1-OE2 2.88Å; T136-E139 PolarHBondContact N-OE2 3.05Å; T136-E139 PolarHBondContact O-N 3.44Å; T136-E139 PolarHBondContact OG1-N 3.06Å; T136-V140 WeakPolarHBondContact O-CG2 3.45Å; T136-V140 PolarHBondContact O-N 2.77Å
137P86.7Confident88.9Confident103 Ų10375.8 Ų75.867%0.66937%0.373SS*.Hα-helixtrans-55.5-34.9178-25.735.6000113.5V140 Q141P137-V140 PolarHBondContact O-N 2.89Å; P137-Q141 PolarHBondContact O-N 3.16Å
138E86.7Confident88.3Confident128 Ų12877.4 Ų77.460%0.59840%0.397SS*.Hα-helixtrans-68.7-37.8177-5676.2-163.300112T136 Q141 S142T136-E138 VanDerWaalsContact CB-OE2 3.24Å; T136-E138 WeakPolarHBondContact CB-OE2 3.44Å; T136-E138 PolarHBondContact O-N 2.86Å; T136-E138 PolarHBondContact OG1-OE2 2.88Å; E138-Q141 PolarHBondContact O-N 3.33Å; E138-S142 WeakPolarHBondContact O-CB 3.38Å; E138-S142 PolarHBondContact O-N 3.11Å; E138-S142 PolarHBondContact O-OG 3.46Å
139E87Confident87.6Confident19 Ų1972.5 Ų72.59%0.08938%0.376CS..Hα-helixtrans-70.5-39.1176.1-68.617214800111.1G70 T72 L135 T136 Q141 S142 V143 F156G70-E139 PolarHBondContact N-OE1 2.87Å; T72-E139 HydrophobicContact CG2-CB 4.37Å; L135-E139 HydrophobicContact CB-CB 4.23Å; L135-E139 HydrophobicContact CG-CB 4.44Å; T136-E139 PolarHBondContact N-OE2 3.05Å; T136-E139 PolarHBondContact O-N 3.44Å; T136-E139 PolarHBondContact OG1-N 3.06Å; E139-Q141 VanDerWaalsContact C-N 3.31Å; E139-Q141 PolarHBondContact O-N 3.26Å; E139-S142 WeakPolarHBondContact O-CB 3.27Å; E139-S142 PolarHBondContact O-N 3.22Å; E139-V143 WeakPolarHBondContact O-CG2 3.44Å; E139-V143 PolarHBondContact O-N 3.08Å; E139-F156 HydrophobicContact CB-CE2 4.07Å; E139-F156 VanDerWaalsContact CD-CE2 3.46Å; E139-F156 HydrophobicContact CG-CE2 4.15Å; E139-F156 WeakPolarHBondContact OE2-CE2 3.47Å
140V87.6Confident86.9Confident51 Ų5175 Ų7531%0.30939%0.388SS..Hα-helixtrans-60.8-42.5172.9175.40000110.9L135 T136 P137 S142 V143 R144L135-V140 HydrophobicContact CB-CG2 3.67Å; L135-V140 HydrophobicContact CD2-CG2 4.14Å; T136-V140 WeakPolarHBondContact O-CG2 3.45Å; T136-V140 PolarHBondContact O-N 2.77Å; P137-V140 PolarHBondContact O-N 2.89Å; V140-S142 VanDerWaalsContact C-N 3.32Å; V140-S142 PolarHBondContact O-N 3.35Å; V140-V143 PolarHBondContact O-N 2.91Å; V140-R144 PolarHBondContact O-N 3.47Å; V140-R144 VanDerWaalsContact O-N 3.07Å
141Q87.1Confident86.3Confident101 Ų10172.9 Ų72.947%0.47238%0.379SS..Hα-helixtrans-63.9-39.8175.5-17560.528.800111.5P137 E138 E139 R144 E145P137-Q141 PolarHBondContact O-N 3.16Å; E138-Q141 PolarHBondContact O-N 3.33Å; E139-Q141 VanDerWaalsContact C-N 3.31Å; E139-Q141 PolarHBondContact O-N 3.26Å; Q141-R144 WeakPolarHBondContact O-CB 3.4Å; Q141-R144 PolarHBondContact O-N 2.97Å; Q141-E145 WeakPolarHBondContact O-CB 3.48Å; Q141-E145 PolarHBondContact O-N 3.01Å
142S86.5Confident85.7Confident23 Ų2375.8 Ų75.816%0.16140%0.398CS..Hα-helixtrans-65.8-39.9177.1-62.20000112.2E138 E139 V140 R144 E145 Y146E138-S142 WeakPolarHBondContact O-CB 3.38Å; E138-S142 PolarHBondContact O-N 3.11Å; E138-S142 PolarHBondContact O-OG 3.46Å; E139-S142 WeakPolarHBondContact O-CB 3.27Å; E139-S142 PolarHBondContact O-N 3.22Å; V140-S142 VanDerWaalsContact C-N 3.32Å; V140-S142 PolarHBondContact O-N 3.35Å; S142-R144 VanDerWaalsContact C-N 3.31Å; S142-R144 PolarHBondContact O-N 3.46Å; S142-E145 PolarHBondContact O-N 3.28Å; S142-Y146 WeakPolarHBondContact O-CB 3.24Å; S142-Y146 VanDerWaalsContact O-CD2 3.27Å; S142-Y146 WeakPolarHBondContact O-CD2 3.4Å; S142-Y146 PolarHBondContact O-N 3.09Å
143V86.6Confident85.3Confident0 Ų074.7 Ų74.70%040%0.399CS..Iπ-helixtrans-59.3-44.8172.1169.10000110.4T72 P98 L135 E139 V140 L147 G148 H149 L154T72-V143 HydrophobicContact CG2-CG2 3.49Å; T72-V143 VanDerWaalsContact CG2-CG2 3.49Å; P98-V143 HydrophobicContact CB-CG2 4.39Å; P98-V143 HydrophobicContact CG-CG2 4.39Å; L135-V143 HydrophobicContact CD2-CG2 3.88Å; E139-V143 WeakPolarHBondContact O-CG2 3.44Å; E139-V143 PolarHBondContact O-N 3.08Å; V140-V143 PolarHBondContact O-N 2.91Å; V143-L147 HydrophobicContact CB-CD1 4.42Å; V143-L147 HydrophobicContact CG1-CB 4.31Å; V143-L147 HydrophobicContact CG1-CD1 4.02Å; V143-L147 HydrophobicContact CG2-CD1 4.23Å; V143-L147 CarbonylContact O-C 3.59Å; V143-L147 VanDerWaalsContact O-CA 3.31Å; V143-L147 WeakPolarHBondContact O-CA 3.4Å; V143-L147 WeakPolarHBondContact O-CB 3.44Å; V143-L147 PolarHBondContact O-N 3.35Å; V143-G148 PolarHBondContact O-N 3.5Å; V143-H149 HydrophobicContact CG1-CB 4.18Å; V143-L154 HydrophobicContact CB-CD1 4.35Å; V143-L154 HydrophobicContact CG1-CD1 3.71Å; V143-L154 HydrophobicContact CG2-CD1 4.46Å
144R86.8Confident85.1Confident96 Ų9671.2 Ų71.236%0.36238%0.383SS..Iπ-helixtrans-63.2-44.7179.1-169.4-172.7-59.1-135.5-8.7112.2V140 Q141 S142 G148 H149 E150V140-R144 PolarHBondContact O-N 3.47Å; V140-R144 VanDerWaalsContact O-N 3.07Å; Q141-R144 WeakPolarHBondContact O-CB 3.4Å; Q141-R144 PolarHBondContact O-N 2.97Å; S142-R144 VanDerWaalsContact C-N 3.31Å; S142-R144 PolarHBondContact O-N 3.46Å; R144-G148 VanDerWaalsContact O-CA 3.26Å; R144-G148 WeakPolarHBondContact O-CA 3.25Å; R144-G148 PolarHBondContact O-N 2.97Å; R144-H149 WeakPolarHBondContact CA-O 3.49Å; R144-E150 IonicContact CZ-OE1 2.99Å; R144-E150 IonicContact CZ-OE2 3.93Å; R144-E150 VanDerWaalsContact NH1-CD 3.26Å; R144-E150 IonicContact NH1-OE1 2.7Å; R144-E150 PolarHBondContact NH1-OE1 3.04Å; R144-E150 IonicContact NH1-OE2 3.55Å; R144-E150 IonicContact NH2-OE1 2.78Å; R144-E150 PolarHBondContact NH2-OE1 3.24Å
145E87.1Confident85.2Confident126 Ų12668.6 Ų68.659%0.58936%0.363SS*.Iπ-helixtrans-72.4-46.8-177.6-175175.9171.600112.7Q141 S142Q141-E145 WeakPolarHBondContact O-CB 3.48Å; Q141-E145 PolarHBondContact O-N 3.01Å; S142-E145 PolarHBondContact O-N 3.28Å
146Y83.6Confident85.5Confident83 Ų8367.4 Ų67.433%0.32536%0.357SS..Iπ-helixtrans-93.3-31.8-171.7-64.8-62.1000114.1K18 S142K18-Y146 HydrophobicContact CD-CD1 3.9Å; K18-Y146 HydrophobicContact CD-CE1 4.1Å; K18-Y146 VanDerWaalsContact CE-CD1 3.48Å; K18-Y146 HydrophobicContact CG-CD1 4.06Å; K18-Y146 HydrophobicContact CG-CE1 4.12Å; S142-Y146 WeakPolarHBondContact O-CB 3.24Å; S142-Y146 VanDerWaalsContact O-CD2 3.27Å; S142-Y146 WeakPolarHBondContact O-CD2 3.4Å; S142-Y146 PolarHBondContact O-N 3.09Å
147L82.9Confident85.7Confident41 Ų4164.7 Ų64.722%0.21534%0.34CS..Iπ-helixtrans-100.2-11.6179.8-50.7-179.1000112.3L74 P98 V143 H149L74-L147 HydrophobicContact CD1-CD1 3.97Å; L74-L147 HydrophobicContact CD1-CD2 3.69Å; L74-L147 HydrophobicContact CD1-CG 4.32Å; L74-L147 HydrophobicContact CD2-CD1 3.95Å; L74-L147 HydrophobicContact CG-CD1 3.76Å; L74-L147 HydrophobicContact CG-CD2 3.71Å; L74-L147 HydrophobicContact CG-CG 4.37Å; P98-L147 HydrophobicContact CG-CD1 4.15Å; V143-L147 HydrophobicContact CB-CD1 4.42Å; V143-L147 HydrophobicContact CG1-CB 4.31Å; V143-L147 HydrophobicContact CG1-CD1 4.02Å; V143-L147 HydrophobicContact CG2-CD1 4.23Å; V143-L147 CarbonylContact O-C 3.59Å; V143-L147 VanDerWaalsContact O-CA 3.31Å; V143-L147 WeakPolarHBondContact O-CA 3.4Å; V143-L147 WeakPolarHBondContact O-CB 3.44Å; V143-L147 PolarHBondContact O-N 3.35Å; L147-H149 HydrophobicContact CB-CB 4.39Å; L147-H149 PolarHBondContact O-N 3.43Å
148G82.3Confident86.1Confident69 Ų6960.9 Ų60.971%0.71131%0.313SS*.  trans64.425.7-178.900000112.6V143 R144V143-G148 PolarHBondContact O-N 3.5Å; R144-G148 VanDerWaalsContact O-CA 3.26Å; R144-G148 WeakPolarHBondContact O-CA 3.25Å; R144-G148 PolarHBondContact O-N 2.97Å
149H80.7Confident86.5Confident19 Ų1954.8 Ų54.89%0.08829%0.285CS..  trans-117.9126.6-172-169.7-102.8000111.2E100 D104 S107 V109 V143 R144 L147 S151E100-H149 IonicContact OE1-CD2 3.89Å; E100-H149 IonicContact OE1-CE1 2.72Å; E100-H149 PolarHBondContact OE1-CE1 3.3Å; E100-H149 IonicContact OE1-ND1 3.5Å; E100-H149 IonicContact OE1-NE2 3.03Å; E100-H149 PolarHBondContact OE1-NE2 3.11Å; D104-H149 IonicContact OD2-NE2 3.93Å; S107-H149 WeakPolarHBondContact CB-CD2 3.23Å; S107-H149 WeakPolarHBondContact CB-NE2 3.4Å; V109-H149 HydrophobicContact CG2-CB 4.3Å; V143-H149 HydrophobicContact CG1-CB 4.18Å; R144-H149 WeakPolarHBondContact CA-O 3.49Å; L147-H149 HydrophobicContact CB-CB 4.39Å; L147-H149 PolarHBondContact O-N 3.43Å; H149-S151 WeakPolarHBondContact CE1-CB 3.3Å; H149-S151 PolarHBondContact CE1-OG 2.98Å; H149-S151 PolarHBondContact NE2-OG 3.42Å
150E79.3Confident86.9Confident127 Ų12754.8 Ų54.859%0.59329%0.286SS*.  trans-117.3112.3178-173.4166.5-165.500108.6R144R144-E150 IonicContact CZ-OE1 2.99Å; R144-E150 IonicContact CZ-OE2 3.93Å; R144-E150 VanDerWaalsContact NH1-CD 3.26Å; R144-E150 IonicContact NH1-OE1 2.7Å; R144-E150 PolarHBondContact NH1-OE1 3.04Å; R144-E150 IonicContact NH1-OE2 3.55Å; R144-E150 IonicContact NH2-OE1 2.78Å; R144-E150 PolarHBondContact NH2-OE1 3.24Å
151S77.4Confident87.3Confident35 Ų3552.4 Ų52.425%0.24527%0.272CS..  trans-155.3142176.3-83.60000111.6H149 H153H149-S151 WeakPolarHBondContact CE1-CB 3.3Å; H149-S151 PolarHBondContact CE1-OG 2.98Å; H149-S151 PolarHBondContact NE2-OG 3.42Å; S151-H153 PolarHBondContact O-N 2.89Å
152D78Confident87.7Confident155 Ų15550.7 Ų50.783%0.82926%0.263SS*.SBendtrans-85.51178.6-60.5-29.6000112.7
153H84.9Confident88.1Confident115 Ų11550.4 Ų50.453%0.53226%0.259SS..  trans-115.726.1-168.7-66.6-35.1000113.5T101 S151T101-H153 PolarHBondContact N-O 3.49Å; T101-H153 WeakPolarHBondContact OG1-CB 3.45Å; T101-H153 PolarHBondContact OG1-O 3.41Å; T101-H153 VanDerWaalsContact OG1-O 3.07Å; S151-H153 PolarHBondContact O-N 2.89Å
154L88.3Confident88.4Confident17 Ų1751.3 Ų51.39%0.08927%0.265CS..EExtended strand (participates in β ladder)trans-87.5140179.9-66.3168.2000111.5V99 E100 V109 L135 V143V99-L154 WeakPolarHBondContact O-CA 3.33Å; E100-L154 HydrophobicContact CG-CD2 3.65Å; V109-L154 HydrophobicContact CG1-CD2 4.06Å; L135-L154 HydrophobicContact CD1-CB 3.91Å; L135-L154 WeakPolarHBondContact CD1-O 3.28Å; L135-L154 HydrophobicContact CD2-CB 3.97Å; L135-L154 HydrophobicContact CD2-CD1 4.28Å; V143-L154 HydrophobicContact CB-CD1 4.35Å; V143-L154 HydrophobicContact CG1-CD1 3.71Å; V143-L154 HydrophobicContact CG2-CD1 4.46Å
155L92.4Very high88.3Confident47 Ų4753.4 Ų53.425%0.24628%0.283CS..EExtended strand (participates in β ladder)trans-136.7145171-66.3174.9000109.2P98 V99 T101 L135P98-L155 WeakPolarHBondContact CA-O 3.22Å; V99-L155 WeakPolarHBondContact CG2-O 3.49Å; V99-L155 PolarHBondContact N-O 2.87Å; V99-L155 PolarHBondContact O-N 2.81Å; T101-L155 HydrophobicContact CG2-CD1 3.43Å; T101-L155 VanDerWaalsContact CG2-CD1 3.43Å; T101-L155 HydrophobicContact CG2-CG 3.99Å; L135-L155 VanDerWaalsContact CD1-C 3.47Å; L135-L155 VanDerWaalsContact CD1-CA 3.44Å
156F93Very high88Confident2 Ų254 Ų541%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-77.4133.9164.1-85.5-64.9000109.5S71 T72 K96 P98 R132 E133 L135 E139S71-F156 WeakPolarHBondContact O-CE1 3.3Å; S71-F156 WeakPolarHBondContact O-CZ 3.29Å; T72-F156 HydrophobicContact CG2-CZ 4Å; K96-F156 HydrophobicContact CD-CB 4.35Å; K96-F156 HydrophobicContact CD-CD1 4.05Å; K96-F156 HydrophobicContact CD-CG 4.21Å; K96-F156 HydrophobicContact CG-CB 4.28Å; K96-F156 HydrophobicContact CG-CD1 3.76Å; K96-F156 HydrophobicContact CG-CE1 4.44Å; K96-F156 HydrophobicContact CG-CG 4.26Å; P98-F156 HydrophobicContact CB-CD1 4.18Å; P98-F156 HydrophobicContact CB-CE1 3.94Å; P98-F156 HydrophobicContact CB-CZ 4.46Å; P98-F156 HydrophobicContact CG-CE1 4.17Å; R132-F156 CarbonylContact C-O 3.53Å; R132-F156 VanDerWaalsContact CA-O 3.25Å; R132-F156 WeakPolarHBondContact CA-O 3.43Å; E133-F156 HydrophobicContact CB-CB 4.32Å; E133-F156 PolarHBondContact N-O 2.9Å; E133-F156 PolarHBondContact O-N 3.33Å; L135-F156 HydrophobicContact CB-CE2 4.47Å; L135-F156 HydrophobicContact CD1-CD2 3.91Å; L135-F156 HydrophobicContact CD1-CE2 4.29Å; L135-F156 HydrophobicContact CD1-CG 4.39Å; L135-F156 HydrophobicContact CD2-CE2 4.29Å; L135-F156 HydrophobicContact CG-CD2 3.71Å; L135-F156 HydrophobicContact CG-CE2 3.62Å; L135-F156 HydrophobicContact CG-CZ 4.45Å; E139-F156 HydrophobicContact CB-CE2 4.07Å; E139-F156 VanDerWaalsContact CD-CE2 3.46Å; E139-F156 HydrophobicContact CG-CE2 4.15Å; E139-F156 WeakPolarHBondContact OE2-CE2 3.47Å
157V94.5Very high87.5Confident1 Ų153.2 Ų53.21%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-121.9127.7171.3178.30000108.7E97 V99 A112 E129 R132 I159E97-V157 PolarHBondContact N-O 3.33Å; E97-V157 PolarHBondContact O-N 3.49Å; V99-V157 HydrophobicContact CG2-CB 3.93Å; V99-V157 HydrophobicContact CG2-CG2 3.27Å; A112-V157 HydrophobicContact CB-CG2 4.38Å; E129-V157 HydrophobicContact CG-CG1 3.36Å; R132-V157 HydrophobicContact CG-CG2 4Å; V157-I159 HydrophobicContact CG1-CD1 4.12Å; V157-I159 HydrophobicContact CG1-CG1 3.76Å
158Q95.3Very high86.7Confident23 Ų2358.7 Ų58.711%0.10732%0.318CS..EExtended strand (participates in β ladder)trans-97.6123.3173.8-172.1-179.1-7.500109.3L67 L95 L130 Q131L67-Q158 HydrophobicContact CD2-CG 4.34Å; L95-Q158 CarbonylContact O-C 3.58Å; L95-Q158 VanDerWaalsContact O-CA 3.29Å; L95-Q158 WeakPolarHBondContact O-CA 3.09Å; L130-Q158 HydrophobicContact CB-CB 4.49Å; L130-Q158 HydrophobicContact CB-CG 4.4Å; L130-Q158 HydrophobicContact CD1-CG 4.41Å; L130-Q158 PolarHBondContact N-O 3.18Å; Q131-Q158 HydrophobicContact CB-CB 4.26Å; Q131-Q158 PolarHBondContact N-O 3.08Å; Q131-Q158 PolarHBondContact O-N 2.83Å
159I95.2Very high86Confident0 Ų059 Ų590%032%0.322CS..EExtended strand (participates in β ladder)trans-124142.3-178.2-55.5173.9000108.7L95 L115 L119 V127 K128 E129 V157L95-I159 PolarHBondContact N-O 2.81Å; L95-I159 PolarHBondContact O-N 2.62Å; L115-I159 HydrophobicContact CB-CD1 4.12Å; L115-I159 HydrophobicContact CD2-CD1 3.45Å; L115-I159 VanDerWaalsContact CD2-CD1 3.45Å; L115-I159 HydrophobicContact CD2-CG1 4.5Å; L115-I159 HydrophobicContact CG-CD1 3.59Å; L119-I159 HydrophobicContact CD2-CB 4.45Å; L119-I159 HydrophobicContact CD2-CG2 3.8Å; V127-I159 HydrophobicContact CG1-CG2 3.58Å; K128-I159 CarbonylContact O-C 3.56Å; K128-I159 WeakPolarHBondContact O-CA 3.2Å; K128-I159 WeakPolarHBondContact O-CG2 3.48Å; E129-I159 HydrophobicContact CG-CG1 4.42Å; V157-I159 HydrophobicContact CG1-CD1 4.12Å; V157-I159 HydrophobicContact CG1-CG1 3.76Å
160T95.8Very high85.2Confident19 Ų1961.3 Ų61.312%0.11734%0.34CS..EExtended strand (participates in β ladder)trans-113.7151.2169-171.30000111.1L93 V127 K128 L130L93-T160 WeakPolarHBondContact O-CA 3.16Å; L93-T160 WeakPolarHBondContact O-CB 3.43Å; L93-T160 PolarHBondContact O-OG1 2.75Å; V127-T160 CarbonylContact C-O 3.59Å; V127-T160 VanDerWaalsContact CA-O 3.26Å; V127-T160 WeakPolarHBondContact CA-O 3.3Å; K128-T160 HydrophobicContact CB-CG2 3.96Å; K128-T160 PolarHBondContact N-O 3.06Å; K128-T160 PolarHBondContact O-N 2.66Å; L130-T160 HydrophobicContact CD1-CG2 4.02Å; L130-T160 HydrophobicContact CD2-CG2 3.78Å; L130-T160 HydrophobicContact CG-CG2 3.89Å
161G95.4Very high84.8Confident1 Ų161 Ų611%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-149.7152.317200000110L93L93-G161 PolarHBondContact N-O 3.39Å; L93-G161 PolarHBondContact O-N 3.38Å; L93-G161 VanDerWaalsContact O-N 3.13Å
162K95.1Very high84.3Confident66 Ų6664.2 Ų64.229%0.28737%0.374SS..EExtended strand (participates in β ladder)trans-114.7139.4-179.7177.9175-79162.40110.1G91 V125 E126G91-K162 WeakPolarHBondContact O-CA 3.44Å; G91-K162 WeakPolarHBondContact O-CG 3.45Å; V125-K162 VanDerWaalsContact CG2-O 3.29Å; V125-K162 WeakPolarHBondContact CG2-O 3.32Å; V125-K162 PolarHBondContact N-O 2.96Å; V125-K162 PolarHBondContact O-N 2.85Å; E126-K162 IonicContact OE2-NZ 3.64Å
163K95.1Very high83.8Confident17 Ų1765.8 Ų65.87%0.07438%0.377CS..  trans-72.4128170.3-170.8177.7-177171.20109.1S58 A84 R85 L87 G90 G91 L124S58-K163 PolarHBondContact OG-NZ 2.71Å; A84-K163 VanDerWaalsContact O-CD 3.23Å; A84-K163 WeakPolarHBondContact O-CD 3.44Å; A84-K163 WeakPolarHBondContact O-CE 3.44Å; A84-K163 PolarHBondContact O-NZ 3.08Å; R85-K163 PolarHBondContact O-NZ 3.49Å; R85-K163 VanDerWaalsContact O-NZ 3.1Å; L87-K163 HydrophobicContact CB-CB 4.27Å; L87-K163 HydrophobicContact CB-CD 4.05Å; L87-K163 WeakPolarHBondContact O-CD 3.42Å; L87-K163 WeakPolarHBondContact O-CE 3.49Å; L87-K163 PolarHBondContact O-NZ 2.87Å; G90-K163 WeakPolarHBondContact CA-O 3.43Å; G90-K163 PolarHBondContact N-O 3Å; G91-K163 PolarHBondContact O-N 2.65Å; L124-K163 HydrophobicContact CD2-CB 4.37Å
164P92.3Very high83Confident19 Ų1967.2 Ų67.212%0.12339%0.387CS..  trans-62.2162.3177.626.5-34.2000111.8G123 V125 F166G123-P164 WeakPolarHBondContact O-CD 3.46Å; V125-P164 HydrophobicContact CG1-CB 4.01Å; V125-P164 HydrophobicContact CG1-CG 4.18Å; V125-P164 HydrophobicContact CG2-CB 3.96Å; P164-F166 HydrophobicContact CB-CD1 3.83Å; P164-F166 HydrophobicContact CB-CE1 3.6Å; P164-F166 HydrophobicContact CB-CZ 4.3Å; P164-F166 HydrophobicContact CG-CD1 4.35Å; P164-F166 HydrophobicContact CG-CE1 3.98Å; P164-F166 HydrophobicContact CG-CZ 4.18Å; P164-F166 PolarHBondContact O-N 2.84Å; P164-F166 VanDerWaalsContact O-N 3.08Å
165N86.5Confident81.8Confident140 Ų14076.2 Ų76.275%0.74943%0.426SS*.SBendtrans-76.213.9-178-77.6-20.1000114.6G90G90-N165 PolarHBondContact N-OD1 2.88Å
166F80Confident80.2Confident138 Ų13880 Ų8061%0.60545%0.446SS*.  trans-129.8140.3177.667-90000109.9P164P164-F166 HydrophobicContact CB-CD1 3.83Å; P164-F166 HydrophobicContact CB-CE1 3.6Å; P164-F166 HydrophobicContact CB-CZ 4.3Å; P164-F166 HydrophobicContact CG-CD1 4.35Å; P164-F166 HydrophobicContact CG-CE1 3.98Å; P164-F166 HydrophobicContact CG-CZ 4.18Å; P164-F166 PolarHBondContact O-N 2.84Å; P164-F166 VanDerWaalsContact O-N 3.08Å
167E72.9Confident78.3Confident66 Ų6685.5 Ų85.531%0.30848%0.484SS..  trans-98.5156.5176.6-68.1177.4161.500110S58 P89 G169 S170S58-E167 PolarHBondContact OG-OE1 2.81Å; P89-E167 HydrophobicContact CG-CG 4.15Å; E167-G169 PolarHBondContact O-N 2.84Å; E167-S170 PolarHBondContact N-OG 2.92Å; E167-S170 WeakPolarHBondContact O-CB 3.44Å; E167-S170 PolarHBondContact O-N 3.2Å; E167-S170 PolarHBondContact O-OG 3.07Å
168V66.1Low76.5Confident156 Ų15692 Ų9295%0.94552%0.518SS*.THydrogen-bonded Turntrans-59.3121.3178.5-175.30000108.7
169G67.3Low74Confident77 Ų7797.3 Ų97.379%0.79455%0.552SS**THydrogen-bonded Turntrans97.9-5.7-172.700000115E167 S171E167-G169 PolarHBondContact O-N 2.84Å; G169-S171 PolarHBondContact O-N 2.81Å; G169-S171 VanDerWaalsContact O-N 3.14Å
170S64.8Low71.4Confident67 Ų67107.2 Ų107.247%0.46960%0.595SS.*  trans-68.8108.1169.6-650000110.1E167E167-S170 PolarHBondContact N-OG 2.92Å; E167-S170 WeakPolarHBondContact O-CB 3.44Å; E167-S170 PolarHBondContact O-N 3.2Å; E167-S170 PolarHBondContact O-OG 3.07Å
171S71.3Confident68.6Low120 Ų120116.1 Ų116.184%0.83963%0.632SS**  trans-90.6124.4169.463.20000109.6G169G169-S171 PolarHBondContact O-N 2.81Å; G169-S171 VanDerWaalsContact O-N 3.14Å
172S65.9Low66Low102 Ų102121.7 Ų121.771%0.71367%0.671SS**  trans-111.9120.4168.440.20000107.8L174S172-L174 PolarHBondContact O-N 2.94Å
173Q68.1Low63.2Low189 Ų189123.7 Ų123.788%0.88369%0.693SS**  trans-62.9111.9173.1-79.5-179.1-16.800107.9K175Q173-K175 PolarHBondContact O-N 3.16Å
174L68.2Low60.6Low145 Ų145128.4 Ų128.476%0.75973%0.725SS**  trans-56.6113.7170.1-65.7172.7000107.2S172 L176S172-L174 PolarHBondContact O-N 2.94Å; L174-L176 HydrophobicContact CB-CG 4.22Å; L174-L176 PolarHBondContact O-N 3.26Å
175K63.1Low58.4Low205 Ų205133.3 Ų133.389%0.89176%0.76SS**  trans-71.471.2166.8-78.3-179.3-178.1169.10107.8Q173 S177Q173-K175 PolarHBondContact O-N 3.16Å; K175-S177 PolarHBondContact O-N 3.48Å
176L59.1Low56.1Low128 Ų128132.8 Ų132.867%0.6776%0.762SS**  trans-62.7106.9160.9-66.2171.6000105L174 I178L174-L176 HydrophobicContact CB-CG 4.22Å; L174-L176 PolarHBondContact O-N 3.26Å; L176-I178 HydrophobicContact CB-CD1 4.29Å; L176-I178 HydrophobicContact CB-CG1 4.32Å; L176-I178 PolarHBondContact O-N 3.36Å
177S52.2Low54.4Low117 Ų117135.4 Ų135.482%0.81877%0.773SS**  trans-7058.9173.138.60000110K175 T179K175-S177 PolarHBondContact O-N 3.48Å; S177-T179 PolarHBondContact O-N 3.49Å
178I56.2Low53Low138 Ų138137.9 Ų137.971%0.70880%0.795SS**  trans-72110.3159.1-61.1165000104.4L176 K180L176-I178 HydrophobicContact CB-CD1 4.29Å; L176-I178 HydrophobicContact CB-CG1 4.32Å; L176-I178 PolarHBondContact O-N 3.36Å; I178-K180 PolarHBondContact O-N 2.87Å; I178-K180 VanDerWaalsContact O-N 3.1Å
179T42.8Very low52Low134 Ų134135.2 Ų135.282%0.82279%0.789SS**  trans-41.5115.5178.236.80000111.1S177 K181S177-T179 PolarHBondContact O-N 3.49Å; T179-K181 PolarHBondContact O-N 3.16Å
180K42.3Very low51.4Low207 Ų207137.2 Ų137.290%0.979%0.785SS**PPolyproline II helixtrans-47.6124.1177.4-82.7174.9171.9174.80111.5I178I178-K180 PolarHBondContact O-N 2.87Å; I178-K180 VanDerWaalsContact O-N 3.1Å
181K36.3Very low50.5Low207 Ų207138.8 Ų138.890%0.979%0.789SS**PPolyproline II helixtrans-102.6125.3133.6-110.2176.9-178.8175.70107.6T179T179-K181 PolarHBondContact O-N 3.16Å
182S41.6Very low49.9Very low118 Ų118138.1 Ų138.183%0.82578%0.781SS**PPolyproline II helixtrans-71.8121.3-178.649.40000112
183S34.6Very low49.4Very low108 Ų108136 Ų13676%0.75577%0.77SS**  trans-152.9153.6151.858.80000109.7
184P41.3Very low48.8Very low116 Ų116128.9 Ų128.975%0.75374%0.743SS**  trans-77.7153.8-153.228.3-29.7000113.7V186P184-V186 PolarHBondContact O-N 3.03Å
185S45.3Very low48.1Very low122 Ų122124.5 Ų124.585%0.85373%0.728SS**  trans-52.9100.1175.549.60000112.9
186V39.9Very low47.8Very low129 Ų129123.3 Ų123.378%0.78272%0.723SS**  trans-119.3114.4153-177.80000106.4P184 P188P184-V186 PolarHBondContact O-N 3.03Å; V186-P188 WeakPolarHBondContact O-CD 3.45Å
187K42.9Very low47.3Very low192 Ų192124.1 Ų124.184%0.83573%0.727SS**  trans-59.8125.3174.2-61.6173.2178.5179.10108.1A189K187-A189 PolarHBondContact O-N 3.42Å; K187-A189 VanDerWaalsContact O-N 3.13Å
188P43Very low47.5Very low119 Ų119129.4 Ų129.477%0.77373%0.729SS**  trans-70.2105.9159-925.5000106.6V186 V190V186-P188 WeakPolarHBondContact O-CD 3.45Å; P188-V190 PolarHBondContact O-N 2.89Å
189A46.3Very low47.4Very low99 Ų99127.2 Ų127.282%0.81872%0.722SS**  trans-67.7109.1167.100000107K187K187-A189 PolarHBondContact O-N 3.42Å; K187-A189 VanDerWaalsContact O-N 3.13Å
190V53.4Low47.6Very low119 Ų119128.3 Ų128.372%0.72172%0.722SS**  trans-72.5126.5170.5-159.70000106.6P188P188-V190 PolarHBondContact O-N 2.89Å
191D47.1Very low48Very low101 Ų101122.1 Ų122.154%0.5471%0.706SS.*  trans-56.2125.7-179.2-164.8-38.5000109.9A193 A194 A195D191-A193 PolarHBondContact O-N 3.35Å; D191-A193 WeakPolarHBondContact OD1-CB 3.44Å; D191-A193 PolarHBondContact OD1-N 2.89Å; D191-A194 HydrophobicContact CB-CB 4.46Å; D191-A194 PolarHBondContact O-N 3.35Å; D191-A195 PolarHBondContact O-N 3.38Å
192P57.8Low48.7Very low105 Ų105117 Ų11768%0.68270%0.701SS**Hα-helixtrans-60.5-17.1179.824-33.9000113.4
193A55.7Low49.2Very low58 Ų58118.4 Ų118.448%0.47970%0.7SS.*Hα-helixtrans-74.2-32.9172.100000113D191 K196D191-A193 PolarHBondContact O-N 3.35Å; D191-A193 WeakPolarHBondContact OD1-CB 3.44Å; D191-A193 PolarHBondContact OD1-N 2.89Å; A193-K196 PolarHBondContact O-N 3.23Å
194A55.6Low49.9Very low39 Ų39117 Ų11732%0.32268%0.684SS.*Hα-helixtrans-74.6-33.317900000112.1D191 K196 L197 W198D191-A194 HydrophobicContact CB-CB 4.46Å; D191-A194 PolarHBondContact O-N 3.35Å; A194-K196 VanDerWaalsContact C-N 3.29Å; A194-K196 PolarHBondContact O-N 3.08Å; A194-L197 PolarHBondContact O-N 3.05Å; A194-W198 PolarHBondContact O-N 3.27Å
195A54.4Low50.3Low53 Ų53120 Ų12044%0.43869%0.69SS.*Hα-helixtrans-64.7-32.9174.300000112.4D191 L197 T199D191-A195 PolarHBondContact O-N 3.38Å; A195-L197 VanDerWaalsContact C-N 3.35Å; A195-T199 WeakPolarHBondContact O-CB 3.44Å; A195-T199 PolarHBondContact O-N 3.35Å; A195-T199 PolarHBondContact O-OG1 2.94Å
196K56.7Low50.6Low180 Ų180123.1 Ų123.178%0.78369%0.691SS**Hα-helixtrans-74.4-19.8176.3-88.6-175.4173.7-174.90114.5A193 A194A193-K196 PolarHBondContact O-N 3.23Å; A194-K196 VanDerWaalsContact C-N 3.29Å; A194-K196 PolarHBondContact O-N 3.08Å
197L48.2Very low51.1Low146 Ų146121 Ų12176%0.76468%0.675SS**Hα-helixtrans-84.5-20.6176.2-75.7160.4000112.8A194 A195A194-L197 PolarHBondContact O-N 3.05Å; A195-L197 VanDerWaalsContact C-N 3.35Å
198W56.9Low51.7Low227 Ų227120.3 Ų120.386%0.8668%0.681SS**Hα-helixtrans-107.6-4.1-178.1-69.665000113.1A194 L200A194-W198 PolarHBondContact O-N 3.27Å; W198-L200 PolarHBondContact O-N 3.35Å
199T52.9Low52.3Low92 Ų92118.8 Ų118.856%0.56467%0.673SS**  trans-94.690.2173.1-49.10000108.2A195 S201A195-T199 WeakPolarHBondContact O-CB 3.44Å; A195-T199 PolarHBondContact O-N 3.35Å; A195-T199 PolarHBondContact O-OG1 2.94Å; T199-S201 PolarHBondContact O-N 2.76Å
200L47.8Very low52.8Low157 Ų157119 Ų11982%0.82266%0.659SS**  trans-58.8108.3160.5-70.6169.3000106.8W198 A202W198-L200 PolarHBondContact O-N 3.35Å; L200-A202 PolarHBondContact O-N 3.21Å
201S49.2Very low53.2Low78 Ų78120.5 Ų120.555%0.54566%0.662SS.*  trans-63.5129.7174.2-68.30000107.8T199 N203 D204T199-S201 PolarHBondContact O-N 2.76Å; S201-N203 PolarHBondContact O-N 3.44Å; S201-D204 WeakPolarHBondContact O-CB 3.33Å; S201-D204 PolarHBondContact O-N 2.89Å
202A51.4Low54.2Low98 Ų98123.9 Ų123.981%0.8168%0.68SS**THydrogen-bonded Turntrans-59.9-5.2177.300000114L200L200-A202 PolarHBondContact O-N 3.21Å
203N52.1Low55Low149 Ų149125.1 Ų125.180%0.79768%0.679SS**THydrogen-bonded Turntrans-90.32.5177.4-13989.4000113.7S201S201-N203 PolarHBondContact O-N 3.44Å
204D49Very low55.9Low79 Ų79126.6 Ų126.642%0.42268%0.679SS.*SBendtrans-105.44.7-179.3-15136.4000112.5S201 M210S201-D204 WeakPolarHBondContact O-CB 3.33Å; S201-D204 PolarHBondContact O-N 2.89Å; D204-M210 WeakPolarHBondContact OD1-CE 3.37Å; D204-M210 WeakPolarHBondContact OD2-CE 3.46Å
205M51.1Low56.7Low178 Ų178129 Ų12988%0.87769%0.693SS**SBendtrans-93.11.6178.3-80.6-83.9-155.400113.4
206E51.8Low57.5Low187 Ų187132.3 Ų132.387%0.87470%0.703SS**SBendtrans-112.717-177.3-156176.5-153.500112.8
207D49.2Very low58.7Low84 Ų84131.6 Ų131.645%0.44970%0.703SS.*  trans-10698.3170.5-164.7-0.6000109.6S209 M210D207-S209 PolarHBondContact O-N 2.85Å; D207-S209 VanDerWaalsContact OD1-CB 3.3Å; D207-S209 WeakPolarHBondContact OD1-CB 3.21Å; D207-S209 PolarHBondContact OD1-N 2.7Å; D207-S209 VanDerWaalsContact OD1-N 3.12Å; D207-S209 PolarHBondContact OD1-OG 2.98Å; D207-S209 PolarHBondContact OD2-OG 3.4Å; D207-M210 PolarHBondContact O-N 3Å; D207-M210 VanDerWaalsContact O-N 3.12Å
208D56.7Low60.1Low179 Ų179130.6 Ų130.696%0.95770%0.698SS**THydrogen-bonded Turntrans-58.82.8170.2-85.6-30.6000112.9
209S55.3Low61.3Low87 Ų87123.4 Ų123.461%0.60868%0.676SS**THydrogen-bonded Turntrans-100.32.7173.4790000115.3D207 D211D207-S209 PolarHBondContact O-N 2.85Å; D207-S209 VanDerWaalsContact OD1-CB 3.3Å; D207-S209 WeakPolarHBondContact OD1-CB 3.21Å; D207-S209 PolarHBondContact OD1-N 2.7Å; D207-S209 VanDerWaalsContact OD1-N 3.12Å; D207-S209 PolarHBondContact OD1-OG 2.98Å; D207-S209 PolarHBondContact OD2-OG 3.4Å; S209-D211 PolarHBondContact O-N 3.46Å
210M55.7Low62.7Low104 Ų104124.1 Ų124.151%0.51268%0.676SS.*  trans-86.685.8165.8-66.1-151.2179.100110.6D204 D207 L212D204-M210 WeakPolarHBondContact OD1-CE 3.37Å; D204-M210 WeakPolarHBondContact OD2-CE 3.46Å; D207-M210 PolarHBondContact O-N 3Å; D207-M210 VanDerWaalsContact O-N 3.12Å; M210-L212 PolarHBondContact O-N 3.03Å
211D62.7Low64.1Low150 Ų150121.4 Ų121.480%0.80267%0.668SS**  trans-53.3111.3163.6-89.3-33.3000108.2S209 I213S209-D211 PolarHBondContact O-N 3.46Å; D211-I213 PolarHBondContact O-N 3.03Å
212L68.6Low65.3Low172 Ų172124.3 Ų124.390%0.90167%0.673SS**  trans-56.5105.1172.6-72.4169.3000107.5M210 D214M210-L212 PolarHBondContact O-N 3.03Å; L212-D214 PolarHBondContact O-N 2.84Å
213I73.9Confident66.7Low131 Ų131124.8 Ų124.867%0.67266%0.662SS**  trans-58.4115-179-61.5161.8000107.8D211 S215 L218D211-I213 PolarHBondContact O-N 3.03Å; I213-S215 PolarHBondContact O-N 3.21Å; I213-L218 HydrophobicContact CG2-CD1 3.73Å; I213-L218 HydrophobicContact CG2-CD2 4.11Å; I213-L218 HydrophobicContact CG2-CG 3.9Å
214D74.5Confident67.9Low89 Ų89123.5 Ų123.548%0.47665%0.654SS.*  trans-64.8120177.6-172.6-0.3000108.9L212 D216 E217L212-D214 PolarHBondContact O-N 2.84Å; D214-D216 PolarHBondContact O-N 3.06Å; D214-D216 PolarHBondContact OD1-N 2.89Å; D214-E217 HydrophobicContact CB-CB 4.18Å; D214-E217 PolarHBondContact O-N 2.99Å; D214-E217 VanDerWaalsContact O-N 3.16Å
215S72.1Confident69.5Low89 Ų89126.1 Ų126.162%0.62266%0.662SS**THydrogen-bonded Turntrans-65.9-22.5-179.4-59.40000111.9I213I213-S215 PolarHBondContact O-N 3.21Å
216D72Confident70.8Confident122 Ų122126.9 Ų126.965%0.65266%0.66SS**THydrogen-bonded Turntrans-79.2-24.1176.4-75.9-16.7000112.5D214 L218D214-D216 PolarHBondContact O-N 3.06Å; D214-D216 PolarHBondContact OD1-N 2.89Å; D216-L218 VanDerWaalsContact C-N 3.34Å
217E81.1Confident72Confident166 Ų166122 Ų12278%0.77665%0.645SS**THydrogen-bonded Turntrans-77.6-21.1175.6-172.3165.1-171.700112.6D214 L219D214-E217 HydrophobicContact CB-CB 4.18Å; D214-E217 PolarHBondContact O-N 2.99Å; D214-E217 VanDerWaalsContact O-N 3.16Å; E217-L219 VanDerWaalsContact C-N 3.3Å
218L77.6Confident73.3Confident124 Ų124122.9 Ų122.965%0.64965%0.649SS**THydrogen-bonded Turntrans-80.2-7.7175.1-66.1178.8000114.1I213 D216I213-L218 HydrophobicContact CG2-CD1 3.73Å; I213-L218 HydrophobicContact CG2-CD2 4.11Å; I213-L218 HydrophobicContact CG2-CG 3.9Å; D216-L218 VanDerWaalsContact C-N 3.34Å
219L82.1Confident73.9Confident76 Ų76118.8 Ų118.840%0.39863%0.632SS.*SBendtrans-95.8122.5179.7-66.8175.9000110.4E217 D223 L224E217-L219 VanDerWaalsContact C-N 3.3Å; L219-D223 HydrophobicContact CD2-CB 4.11Å; L219-L224 HydrophobicContact CD1-CD2 4.33Å
220D82.1Confident74.5Confident108 Ų108117.7 Ų117.758%0.57863%0.629SS**  trans-72155.3173.7-77-43.2000110.3E222 D223D220-E222 PolarHBondContact O-N 3.24Å; D220-D223 PolarHBondContact N-OD2 2.95Å; D220-D223 PolarHBondContact O-N 3.14Å
221P78Confident75.1Confident99 Ų99117.3 Ų117.364%0.64364%0.637SS**THydrogen-bonded Turntrans-61.4-6.1176.125.8-35.7000113.9K225P221-K225 WeakPolarHBondContact O-CE 3.38Å
222E75Confident75Confident140 Ų140116.1 Ų116.165%0.65463%0.63SS**THydrogen-bonded Turntrans-85.4-31.3171.3-57-151.896.800113D220 K225D220-E222 PolarHBondContact O-N 3.24Å; E222-K225 WeakPolarHBondContact O-CB 3.26Å; E222-K225 PolarHBondContact O-N 3.37Å; E222-K225 IonicContact OE1-NZ 2.63Å
223D80.8Confident74.8Confident108 Ų108117.2 Ų117.258%0.57862%0.622SS**THydrogen-bonded Turntrans-73.9-27.9179-67.3-47.6000112.6L219 D220 K225L219-D223 HydrophobicContact CD2-CB 4.11Å; D220-D223 PolarHBondContact N-OD2 2.95Å; D220-D223 PolarHBondContact O-N 3.14Å; D223-K225 PolarHBondContact O-N 2.86Å
224L77.6Confident74Confident122 Ų122113.7 Ų113.764%0.63961%0.612SS**THydrogen-bonded Turntrans-71.6-12.3174.5-63.7175.3000113L219 K226L219-L224 HydrophobicContact CD1-CD2 4.33Å; L224-K226 PolarHBondContact O-N 2.67Å
225K82.5Confident73.2Confident133 Ų133116.9 Ų116.958%0.57863%0.634SS**SBendtrans-77.3107.8178.1-65.6173.5-169.1160.90109.4P221 E222 D223 P227P221-K225 WeakPolarHBondContact O-CE 3.38Å; E222-K225 WeakPolarHBondContact O-CB 3.26Å; E222-K225 PolarHBondContact O-N 3.37Å; E222-K225 IonicContact OE1-NZ 2.63Å; D223-K225 PolarHBondContact O-N 2.86Å; K225-P227 WeakPolarHBondContact O-CD 3.24Å
226K77.1Confident72.3Confident195 Ų195118 Ų11885%0.84864%0.643SS**PPolyproline II helixtrans-54.3125.8170.5-66.1-179.3-176.4179.50109.4L224L224-K226 PolarHBondContact O-N 2.67Å
227P78.4Confident71.4Confident85 Ų85117.1 Ų117.155%0.55265%0.645SS**PPolyproline II helixtrans-59142.6175.6-20.229.3000110.7K225 L232K225-P227 WeakPolarHBondContact O-CD 3.24Å; P227-L232 HydrophobicContact CB-CD1 4.12Å; P227-L232 HydrophobicContact CB-CD2 4.22Å; P227-L232 HydrophobicContact CB-CG 4.14Å
228D76Confident69.9Low101 Ų101112 Ų11254%0.5464%0.637SS.*PPolyproline II helixtrans-58.4124.2177.2177.214.1000110.2A230 S231 L232D228-A230 PolarHBondContact O-N 3.37Å; D228-A230 PolarHBondContact OD1-N 3.04Å; D228-A230 VanDerWaalsContact OD1-N 3.16Å; D228-S231 WeakPolarHBondContact O-CB 3.37Å; D228-S231 PolarHBondContact O-N 3.18Å; D228-L232 PolarHBondContact O-N 3.46Å
229P68.4Low68.8Low93 Ų93116 Ų11660%0.60465%0.652SS**THydrogen-bonded Turntrans-57.7-19.7178.424-36.7000113.7
230A69.1Low67.6Low65 Ų65116 Ų11654%0.53767%0.671SS.*THydrogen-bonded Turntrans-74.6-34.3172.500000112.9D228 R233D228-A230 PolarHBondContact O-N 3.37Å; D228-A230 PolarHBondContact OD1-N 3.04Å; D228-A230 VanDerWaalsContact OD1-N 3.16Å; A230-R233 PolarHBondContact O-N 2.96Å
231S67.3Low66.5Low96 Ų96120.3 Ų120.367%0.67169%0.685SS**THydrogen-bonded Turntrans-69.3-33.1174.8173.50000112.3D228 R233D228-S231 WeakPolarHBondContact O-CB 3.37Å; D228-S231 PolarHBondContact O-N 3.18Å; S231-R233 VanDerWaalsContact C-N 3.26Å; S231-R233 PolarHBondContact O-N 3.41Å
232L61.7Low65.8Low125 Ų125123.4 Ų123.465%0.65469%0.688SS**THydrogen-bonded Turntrans-76.9-9.1177.6-64.6176.9000113.7P227 D228 A234P227-L232 HydrophobicContact CB-CD1 4.12Å; P227-L232 HydrophobicContact CB-CD2 4.22Å; P227-L232 HydrophobicContact CB-CG 4.14Å; D228-L232 PolarHBondContact O-N 3.46Å; L232-A234 PolarHBondContact O-N 3.04Å
233R64.4Low65.5Low194 Ų194126.5 Ų126.573%0.73269%0.693SS**SBendtrans-79108.4171.1-72.6-177.2-173.6-166.73.4108.4A230 S231 V235A230-R233 PolarHBondContact O-N 2.96Å; S231-R233 VanDerWaalsContact C-N 3.26Å; S231-R233 PolarHBondContact O-N 3.41Å; R233-V235 PolarHBondContact O-N 2.93Å; R233-V235 VanDerWaalsContact O-N 3.11Å
234A56.1Low65.2Low58 Ų58130.5 Ų130.548%0.47971%0.706SS.*  trans-55.6120.9170.800000109.4L232 S236 C237L232-A234 PolarHBondContact O-N 3.04Å; A234-S236 PolarHBondContact O-N 3.42Å; A234-C237 PolarHBondContact O-N 3.25Å
235V57.4Low65.3Low155 Ų155126.3 Ų126.394%0.93969%0.689SS**THydrogen-bonded Turntrans-56.6-14.4175.8-178.80000111.9R233R233-V235 PolarHBondContact O-N 2.93Å; R233-V235 VanDerWaalsContact O-N 3.11Å
236S52.9Low65.2Low114 Ų114124.8 Ų124.880%0.79769%0.694SS**THydrogen-bonded Turntrans-89.3-3.817764.10000115.6A234 G238A234-S236 PolarHBondContact O-N 3.42Å; S236-G238 PolarHBondContact O-N 2.96Å
237C54.4Low65.1Low102 Ų102125.6 Ų125.669%0.68970%0.697SS**SBendtrans-98.570.7176.9-136.70000110A234 E239A234-C237 PolarHBondContact O-N 3.25Å; C237-E239 PolarHBondContact O-N 2.97Å
238G49.7Very low64.8Low59 Ų59128.7 Ų128.761%0.60871%0.709SS**  trans-52.4133.2-172.100000114.4S236 G240S236-G238 PolarHBondContact O-N 2.96Å; G238-G240 PolarHBondContact O-N 3.28Å; G238-G240 VanDerWaalsContact O-N 3.14Å
239E54.4Low65Low207 Ų207125.5 Ų125.597%0.96769%0.694SS**THydrogen-bonded Turntrans-52.3114.9162-77.3168.2101.200109.2C237C237-E239 PolarHBondContact O-N 2.97Å
240G55.6Low65.4Low78 Ų78127.9 Ų127.980%0.80471%0.707SS**THydrogen-bonded Turntrans129.1-1.6164.300000118G238G238-G240 PolarHBondContact O-N 3.28Å; G238-G240 VanDerWaalsContact O-N 3.14Å
241K59.3Low65.8Low198 Ų198129.8 Ų129.886%0.86172%0.715SS**  trans-116.7110.6171.7-74.6179.1-178.2172.10111.4R243K241-R243 PolarHBondContact O-N 3.12Å
242K63Low66.4Low163 Ų163126.2 Ų126.271%0.70969%0.694SS**  trans-44.5126.1168.2-67.8-172.1177.2-1700108.4K244K242-K244 PolarHBondContact O-N 2.95Å
243R69.2Low67.4Low205 Ų205123.5 Ų123.577%0.77468%0.68SS**PPolyproline II helixtrans-54.7125.3-177.7-66.7178.8-179.6174.6-1.1108.5K241 L257K241-R243 PolarHBondContact O-N 3.12Å; R243-L257 VanDerWaalsContact O-CD1 3.27Å; R243-L257 WeakPolarHBondContact O-CD1 3.22Å
244K75.1Confident68.2Low192 Ų192115.7 Ų115.784%0.83566%0.657SS**PPolyproline II helixtrans-90.1136175.9-73-178.2177.7179.80109K242K242-K244 PolarHBondContact O-N 2.95Å
245A79.3Confident69.4Low34 Ų34119.1 Ų119.128%0.28166%0.663SS.*PPolyproline II helixtrans-64.3142.7168.700000110.3C249 A254 L257A245-C249 HydrophobicContact CB-CB 3.92Å; A245-A254 HydrophobicContact CB-CB 3.8Å; A245-L257 HydrophobicContact CB-CD1 4.4Å
246C80.6Confident70.5Confident101 Ų101117.7 Ų117.768%0.68265%0.646SS**PPolyproline II helixtrans-62.1157.4174.2-65.40000111N248 C249C246-N248 PolarHBondContact O-N 2.65Å; C246-C249 WeakPolarHBondContact O-CB 3.3Å; C246-C249 PolarHBondContact O-N 2.9Å; C246-C249 VanDerWaalsContact O-N 3.12Å
247K75.3Confident71.8Confident212 Ų212114.3 Ų114.392%0.92262%0.619SS**THydrogen-bonded Turntrans-61.3-14.4-173.3-148.4167.9-176.2-1790114.9
248N71.6Confident72.8Confident150 Ų150115.7 Ų115.780%0.80262%0.615SS**THydrogen-bonded Turntrans-139.155.3172.2-68.4-45.6000110.1C246 T250C246-N248 PolarHBondContact O-N 2.65Å; N248-T250 PolarHBondContact O-N 3.12Å
249C80.5Confident74Confident34 Ų34120 Ų12023%0.2362%0.617CS.*  trans-68.9111.1-176.5-174.40000111.6A245 C246 C251 A254A245-C249 HydrophobicContact CB-CB 3.92Å; C246-C249 WeakPolarHBondContact O-CB 3.3Å; C246-C249 PolarHBondContact O-N 2.9Å; C246-C249 VanDerWaalsContact O-N 3.12Å; C249-C251 PolarHBondContact SG-SG 3.35Å; C249-A254 HydrophobicContact CB-CB 4.11Å
250T75.4Confident74.9Confident143 Ų143115.8 Ų115.888%0.87760%0.598SS**  trans-97.4-5177.4470000113.8N248 G252N248-T250 PolarHBondContact O-N 3.12Å; T250-G252 PolarHBondContact O-N 3.1Å
251C79.3Confident75.5Confident105 Ų105118.4 Ų118.471%0.70959%0.587SS**SBendtrans-90.814-176.765.20000114.7C249 L253C249-C251 PolarHBondContact SG-SG 3.35Å; C251-L253 VanDerWaalsContact C-N 3.25Å; C251-L253 PolarHBondContact O-N 3.41Å
252G79.4Confident75.6Confident22 Ų22111.8 Ų111.823%0.22757%0.566CS.*SBendtrans79.6-11.2176.400000116.1T250 A254 E255 E256T250-G252 PolarHBondContact O-N 3.1Å; G252-A254 PolarHBondContact O-N 2.74Å; G252-A254 VanDerWaalsContact O-N 3.17Å; G252-E255 WeakPolarHBondContact O-CB 3.18Å; G252-E255 PolarHBondContact O-N 3.04Å; G252-E256 PolarHBondContact O-N 2.91Å
253L81.9Confident75.5Confident67 Ų67114 Ų11435%0.35157%0.57SS.*Hα-helixtrans-61.4-28.7-179.3-168.268.8000113.7C251 E255 L257C251-L253 VanDerWaalsContact C-N 3.25Å; C251-L253 PolarHBondContact O-N 3.41Å; L253-E255 VanDerWaalsContact C-N 3.34Å; L253-L257 HydrophobicContact CG-CD1 4.43Å; L253-L257 WeakPolarHBondContact O-CG 3.21Å; L253-L257 PolarHBondContact O-N 2.79Å
254A82.1Confident75Confident31 Ų31109.6 Ų109.626%0.25656%0.558SS.*Hα-helixtrans-64.7-40.2174.900000111.8A245 C249 G252 L257 E258A245-A254 HydrophobicContact CB-CB 3.8Å; C249-A254 HydrophobicContact CB-CB 4.11Å; G252-A254 PolarHBondContact O-N 2.74Å; G252-A254 VanDerWaalsContact O-N 3.17Å; A254-L257 PolarHBondContact O-N 3.07Å; A254-E258 WeakPolarHBondContact O-CG 3.36Å; A254-E258 PolarHBondContact O-N 3.4Å
255E81.8Confident74Confident129 Ų129107.5 Ų107.560%0.60355%0.551SS**Hα-helixtrans-72.1-36.1-175.8-61.1167.3161.800111.3G252 L253 E258 K259G252-E255 WeakPolarHBondContact O-CB 3.18Å; G252-E255 PolarHBondContact O-N 3.04Å; L253-E255 VanDerWaalsContact C-N 3.34Å; E255-E258 PolarHBondContact O-N 2.93Å; E255-K259 WeakPolarHBondContact O-CG 3.35Å; E255-K259 PolarHBondContact O-N 3.15Å; E255-K259 VanDerWaalsContact O-N 3.13Å
256E80.7Confident72.7Confident125 Ų125114 Ų11458%0.58458%0.578SS**Hα-helixtrans-65.2-45.2174.3-70.5-173.4118.200112G252 E258 K259 E260G252-E256 PolarHBondContact O-N 2.91Å; E256-E258 VanDerWaalsContact C-N 3.25Å; E256-E258 PolarHBondContact O-N 2.98Å; E256-K259 PolarHBondContact O-N 2.8Å; E256-E260 PolarHBondContact O-N 3.06Å; E256-E260 VanDerWaalsContact O-N 3.09Å
257L78.4Confident71.4Confident43 Ų43114 Ų11423%0.22558%0.579CS.*Hα-helixtrans-65.4-26.3178.8-70.2172.2000113.2R243 A245 L253 A254 K261R243-L257 VanDerWaalsContact O-CD1 3.27Å; R243-L257 WeakPolarHBondContact O-CD1 3.22Å; A245-L257 HydrophobicContact CB-CD1 4.4Å; L253-L257 HydrophobicContact CG-CD1 4.43Å; L253-L257 WeakPolarHBondContact O-CG 3.21Å; L253-L257 PolarHBondContact O-N 2.79Å; A254-L257 PolarHBondContact O-N 3.07Å; L257-K261 WeakPolarHBondContact O-CG 3.19Å
258E76.1Confident70.3Confident132 Ų132108.2 Ų108.262%0.61757%0.565SS**Hα-helixtrans-79.4-37174.4-73.3-177.4170.200112.6A254 E255 E256 K261 S262A254-E258 WeakPolarHBondContact O-CG 3.36Å; A254-E258 PolarHBondContact O-N 3.4Å; E255-E258 PolarHBondContact O-N 2.93Å; E256-E258 VanDerWaalsContact C-N 3.25Å; E256-E258 PolarHBondContact O-N 2.98Å; E258-K261 PolarHBondContact O-N 2.95Å; E258-S262 PolarHBondContact O-N 3.36Å; E258-S262 VanDerWaalsContact O-N 3.1Å; E258-S262 PolarHBondContact O-OG 2.63Å
259K75.7Confident69.1Low149 Ų149107.8 Ų107.865%0.64856%0.558SS**Hα-helixtrans-64.2-38.9174.6-77.9175.4-178.5171.50112.3E255 E256 S262 R263E255-K259 WeakPolarHBondContact O-CG 3.35Å; E255-K259 PolarHBondContact O-N 3.15Å; E255-K259 VanDerWaalsContact O-N 3.13Å; E256-K259 PolarHBondContact O-N 2.8Å; K259-S262 PolarHBondContact O-OG 3.08Å; K259-R263 PolarHBondContact O-N 2.99Å
260E72.4Confident67.8Low118 Ų118112.4 Ų112.455%0.55159%0.588SS**Hα-helixtrans-64.7-42.9175.8-71.2-175.1158.100112E256 S262 R263 E264E256-E260 PolarHBondContact O-N 3.06Å; E256-E260 VanDerWaalsContact O-N 3.09Å; E260-S262 PolarHBondContact O-N 3.39Å; E260-R263 PolarHBondContact O-N 2.89Å; E260-E264 PolarHBondContact O-N 2.91Å; E260-E264 VanDerWaalsContact O-N 3.13Å
261K69.1Low66.5Low133 Ų133114.8 Ų114.858%0.57859%0.586SS**Hα-helixtrans-63.6-40.2178.5-73.6174.1-175.6173.40113.2L257 E258 R263 E264 Q265L257-K261 WeakPolarHBondContact O-CG 3.19Å; E258-K261 PolarHBondContact O-N 2.95Å; K261-R263 VanDerWaalsContact C-N 3.33Å; K261-E264 PolarHBondContact O-N 3.17Å; K261-Q265 PolarHBondContact O-N 3.34Å; K261-Q265 VanDerWaalsContact O-N 3.15Å
262S61.1Low65.3Low60 Ų60113.3 Ų113.342%0.4258%0.577SS.*Hα-helixtrans-68.4-34.2179.155.60000112.1E258 K259 E260 Q265 M266E258-S262 PolarHBondContact O-N 3.36Å; E258-S262 VanDerWaalsContact O-N 3.1Å; E258-S262 PolarHBondContact O-OG 2.63Å; K259-S262 PolarHBondContact O-OG 3.08Å; E260-S262 PolarHBondContact O-N 3.39Å; S262-Q265 PolarHBondContact O-N 3.43Å; S262-M266 PolarHBondContact O-N 3.32Å
263R60.7Low64.1Low209 Ų209118 Ų11879%0.78961%0.614SS**Hα-helixtrans-69-36.1176.2-155.4174-173.2-179.51.6112.8K259 E260 K261K259-R263 PolarHBondContact O-N 2.99Å; E260-R263 PolarHBondContact O-N 2.89Å; K261-R263 VanDerWaalsContact C-N 3.33Å
264E58.7Low63Low112 Ų112118.1 Ų118.152%0.52362%0.619SS.*Hα-helixtrans-70.9-31.2174.2-72.3176.116300112.5E260 K261 S267E260-E264 PolarHBondContact O-N 2.91Å; E260-E264 VanDerWaalsContact O-N 3.13Å; K261-E264 PolarHBondContact O-N 3.17Å; E264-S267 PolarHBondContact O-OG 3.03Å; E264-S267 VanDerWaalsContact O-OG 3.13Å
265Q53.3Low62.2Low148 Ų148117.8 Ų117.869%0.69262%0.619SS**Hα-helixtrans-75.4-29.4177.8-80.4-177.1-33.200113.8K261 S262 S267 S268K261-Q265 PolarHBondContact O-N 3.34Å; K261-Q265 VanDerWaalsContact O-N 3.15Å; S262-Q265 PolarHBondContact O-N 3.43Å; Q265-S267 VanDerWaalsContact C-N 3.33Å; Q265-S267 PolarHBondContact O-N 2.64Å; Q265-S268 PolarHBondContact O-OG 2.72Å
266M52.9Low61.6Low171 Ų171115.2 Ų115.284%0.84261%0.609SS**Hα-helixtrans-72.6-20.3178.8-77.8179.463.400114.3S262S262-M266 PolarHBondContact O-N 3.32Å
267S53.3Low61Low101 Ų101111 Ų11171%0.70659%0.593SS**THydrogen-bonded Turntrans-88.1-4.1-174.1640000114.7E264 Q265E264-S267 PolarHBondContact O-OG 3.03Å; E264-S267 VanDerWaalsContact O-OG 3.13Å; Q265-S267 VanDerWaalsContact C-N 3.33Å; Q265-S267 PolarHBondContact O-N 2.64Å
268S51.5Low60.5Low91 Ų91115.3 Ų115.364%0.63661%0.607SS**  trans-114.310.4-165.160.20000116.9Q265Q265-S268 PolarHBondContact O-OG 2.72Å
269Q47.3Very low60.3Low141 Ų141112.5 Ų112.566%0.65960%0.596SS**PPolyproline II helixtrans-100.4137178.2-68.4-162.4-15.900114.1
270P52.2Low60.2Low131 Ų131105.8 Ų105.885%0.85157%0.57SS**PPolyproline II helixtrans-75.7130.4-176.529.9-33.1000111.9
271K49.2Very low60.4Low192 Ų192103 Ų10384%0.83556%0.558SS**PPolyproline II helixtrans-88.3137.1180-63.1-180-179.3179.30111.1
272S52.9Low60.7Low75 Ų75101 Ų10152%0.52457%0.567SS.*PPolyproline II helixtrans-75.6162.5170.961.40000111.2C274 G275S272-C274 PolarHBondContact O-N 3.31Å; S272-C274 VanDerWaalsContact O-N 3.11Å; S272-G275 WeakPolarHBondContact O-CA 3.43Å; S272-G275 PolarHBondContact O-N 3.38Å
273A55.1Low61.2Low121 Ų121104.2 Ų104.2100%157%0.573SS**THydrogen-bonded Turntrans-59.6-23.4-17400000115.1
274C58.6Low61.8Low68 Ų6895.4 Ų95.446%0.45954%0.54SS..THydrogen-bonded Turntrans-86.4-14173.475.90000113.5S272 N276 C277S272-C274 PolarHBondContact O-N 3.31Å; S272-C274 VanDerWaalsContact O-N 3.11Å; C274-N276 PolarHBondContact O-N 3.13Å; C274-C277 WeakPolarHBondContact CB-SG 3.36Å; C274-C277 WeakPolarHBondContact SG-CB 3.46Å; C274-C277 PolarHBondContact SG-N 3.45Å; C274-C277 VanDerWaalsContact SG-N 3.39Å; C274-C277 CovalentContact SG-SG 2.07Å; C274-C277 PolarHBondContact SG-SG 2.86Å
275G65.4Low62.5Low24 Ų2494.7 Ų94.725%0.24755%0.547CS..SBendtrans66.3-31.6-178.500000117.4S272 Y278S272-G275 WeakPolarHBondContact O-CA 3.43Å; S272-G275 PolarHBondContact O-N 3.38Å; G275-Y278 WeakPolarHBondContact O-CE1 3.46Å
276N68.9Low63.4Low76 Ų7692.4 Ų92.441%0.40655%0.553SS.*  trans-123.76.1-161.7-73.8-9.6000115.2C274 Y278 L279 F283C274-N276 PolarHBondContact O-N 3.13Å; N276-Y278 PolarHBondContact O-N 3.38Å; N276-L279 HydrophobicContact CB-CD1 4.03Å; N276-L279 WeakPolarHBondContact O-CB 3.46Å; N276-L279 PolarHBondContact O-N 3.49Å; N276-F283 HydrophobicContact CB-CB 4.45Å
277C67.8Low64.1Low37 Ų3789.8 Ų89.825%0.2555%0.552CS.*G310 helixtrans-62-18.8-174.4-62.60000113.8C274C274-C277 WeakPolarHBondContact CB-SG 3.36Å; C274-C277 WeakPolarHBondContact SG-CB 3.46Å; C274-C277 PolarHBondContact SG-N 3.45Å; C274-C277 VanDerWaalsContact SG-N 3.39Å; C274-C277 CovalentContact SG-SG 2.07Å; C274-C277 PolarHBondContact SG-SG 2.86Å
278Y68.9Low65Low132 Ų13286.6 Ų86.652%0.51853%0.529SS..G310 helixtrans-78.9-14.4174.471.7-92.3000114.4G275 N276 G280G275-Y278 WeakPolarHBondContact O-CE1 3.46Å; N276-Y278 PolarHBondContact O-N 3.38Å; Y278-G280 VanDerWaalsContact C-N 3.27Å; Y278-G280 PolarHBondContact O-N 2.93Å
279L71.7Confident66.1Low73 Ų7385.9 Ų85.938%0.38252%0.522SS..G310 helixtrans-84-1.6-177.6-66.4170.1000113.2N276 F283N276-L279 HydrophobicContact CB-CD1 4.03Å; N276-L279 WeakPolarHBondContact O-CB 3.46Å; N276-L279 PolarHBondContact O-N 3.49Å; L279-F283 HydrophobicContact CB-CB 4.18Å; L279-F283 HydrophobicContact CB-CD2 3.57Å; L279-F283 HydrophobicContact CB-CE2 4.24Å; L279-F283 HydrophobicContact CB-CG 4.05Å; L279-F283 HydrophobicContact CD1-CD2 4.37Å; L279-F283 HydrophobicContact CD1-CG 4.33Å
280G72.6Confident67.3Low9 Ų982 Ų829%0.09350%0.502CS..  trans81-172.7178.200000114.1Y278 A282 F283Y278-G280 VanDerWaalsContact C-N 3.27Å; Y278-G280 PolarHBondContact O-N 2.93Å; G280-A282 VanDerWaalsContact C-N 3.27Å; G280-A282 PolarHBondContact O-N 3.2Å; G280-F283 PolarHBondContact O-N 3.04Å
281D76.3Confident68.4Low59 Ų5980.1 Ų80.132%0.31648%0.484SS..G310 helixtrans-64.1-25.1-168.3-73.5-29.7000114.9F283 R284 L291 G292D281-F283 PolarHBondContact O-N 2.87Å; D281-R284 PolarHBondContact O-N 3.17Å; D281-R284 VanDerWaalsContact O-N 3.14Å; D281-R284 VanDerWaalsContact OD1-CD 3.26Å; D281-R284 WeakPolarHBondContact OD1-CD 3.24Å; D281-R284 IonicContact OD1-CZ 3.46Å; D281-R284 IonicContact OD1-NE 3.5Å; D281-R284 IonicContact OD1-NH1 2.71Å; D281-R284 PolarHBondContact OD1-NH1 3.45Å; D281-L291 WeakPolarHBondContact OD1-CA 3.47Å; D281-G292 PolarHBondContact OD1-N 3.46Å; D281-G292 VanDerWaalsContact OD1-N 3.14Å; D281-G292 WeakPolarHBondContact OD2-CA 3.27Å; D281-G292 PolarHBondContact OD2-N 2.93Å
282A76.5Confident69.7Low91 Ų9173.9 Ų73.975%0.75247%0.474SS*.G310 helixtrans-60.9-18.2176.900000113.2G280G280-A282 VanDerWaalsContact C-N 3.27Å; G280-A282 PolarHBondContact O-N 3.2Å
283F71.7Confident70.8Confident127 Ų12775.3 Ų75.356%0.55747%0.474SS*.G310 helixtrans-120.111.5-178.8-61.7-85.2000113N276 L279 G280 D281N276-F283 HydrophobicContact CB-CB 4.45Å; L279-F283 HydrophobicContact CB-CB 4.18Å; L279-F283 HydrophobicContact CB-CD2 3.57Å; L279-F283 HydrophobicContact CB-CE2 4.24Å; L279-F283 HydrophobicContact CB-CG 4.05Å; L279-F283 HydrophobicContact CD1-CD2 4.37Å; L279-F283 HydrophobicContact CD1-CG 4.33Å; G280-F283 PolarHBondContact O-N 3.04Å; D281-F283 PolarHBondContact O-N 2.87Å
284R73.4Confident71.8Confident24 Ų2474.9 Ų74.99%0.09146%0.461CS..SBendtrans-94.6132.8174-65.7179.3-169.2165-6.3108.7D281 C288 Y290 M293 P294D281-R284 PolarHBondContact O-N 3.17Å; D281-R284 VanDerWaalsContact O-N 3.14Å; D281-R284 VanDerWaalsContact OD1-CD 3.26Å; D281-R284 WeakPolarHBondContact OD1-CD 3.24Å; D281-R284 IonicContact OD1-CZ 3.46Å; D281-R284 IonicContact OD1-NE 3.5Å; D281-R284 IonicContact OD1-NH1 2.71Å; D281-R284 PolarHBondContact OD1-NH1 3.45Å; R284-C288 HydrophobicContact CB-CB 3.94Å; R284-Y290 PolarHBondContact NH1-O 2.96Å; R284-M293 PolarHBondContact NH1-O 3.31Å; R284-P294 PolarHBondContact NH2-O 2.89Å; R284-P294 VanDerWaalsContact NH2-O 3.13Å
285C73.8Confident72.6Confident98 Ų9874.3 Ų74.366%0.66246%0.461SS*.  trans-60.7153.3176-56.80000110.6S287 C288 L291C285-S287 PolarHBondContact O-N 3.43Å; C285-C288 WeakPolarHBondContact O-CB 3.32Å; C285-C288 PolarHBondContact O-N 2.95Å; C285-L291 WeakPolarHBondContact O-CD1 3.45Å
286A71.4Confident72.9Confident100 Ų10075.1 Ų75.183%0.82646%0.458SS*.THydrogen-bonded Turntrans-56.5-26.5-17800000113.9C288A286-C288 VanDerWaalsContact C-N 3.32Å
287S67.8Low73.1Confident116 Ų11679.3 Ų79.381%0.81147%0.472SS*.THydrogen-bonded Turntrans-86.87.5177.9-24.20000113.9C285 P289C285-S287 PolarHBondContact O-N 3.43Å; S287-P289 WeakPolarHBondContact O-CD 3.31Å
288C71.7Confident73Confident34 Ų3482.2 Ų82.223%0.2349%0.491CS..  trans-74.6125.5-173.9-172.30000111.5R284 C285 A286 Y290 L291R284-C288 HydrophobicContact CB-CB 3.94Å; C285-C288 WeakPolarHBondContact O-CB 3.32Å; C285-C288 PolarHBondContact O-N 2.95Å; A286-C288 VanDerWaalsContact C-N 3.32Å; C288-Y290 PolarHBondContact O-N 2.74Å; C288-L291 HydrophobicContact CB-CB 4.43Å; C288-L291 WeakPolarHBondContact O-CB 3.26Å; C288-L291 PolarHBondContact O-N 3.44Å; C288-L291 VanDerWaalsContact O-N 3.11Å
289P75.6Confident73Confident76 Ų7679.8 Ų79.849%0.49451%0.506SS..THydrogen-bonded Turntrans-61-20.5-179.1-24.834.3000114.7S287 L304S287-P289 WeakPolarHBondContact O-CD 3.31Å; P289-L304 HydrophobicContact CG-CD2 3.89Å
290Y71.9Confident72.7Confident60 Ų6081.7 Ų81.724%0.23551%0.513CS..THydrogen-bonded Turntrans-101.511.1-177.6-59.6-72.4000113.3R284 C288 G292 M293 F296 V302 L303 L304R284-Y290 PolarHBondContact NH1-O 2.96Å; C288-Y290 PolarHBondContact O-N 2.74Å; Y290-G292 PolarHBondContact O-N 3.33Å; Y290-M293 HydrophobicContact CD1-SD 3.92Å; Y290-M293 WeakPolarHBondContact O-CB 3.38Å; Y290-M293 PolarHBondContact O-N 3.22Å; Y290-M293 VanDerWaalsContact O-N 3.1Å; Y290-F296 AromaticContact CD1-CZ 3.97Å; Y290-F296 HydrophobicContact CD1-CZ 3.97Å; Y290-F296 HydrophobicContact CD2-CE2 4.39Å; Y290-F296 HydrophobicContact CD2-CZ 4.35Å; Y290-F296 HydrophobicContact CE1-CZ 4.33Å; Y290-F296 HydrophobicContact CG-CE2 4.13Å; Y290-F296 AromaticContact CG-CZ 3.98Å; Y290-F296 HydrophobicContact CG-CZ 3.98Å; Y290-V302 HydrophobicContact CD2-CG1 3.87Å; Y290-V302 HydrophobicContact CE2-CG1 3.27Å; Y290-L303 PolarHBondContact OH-O 2.87Å; Y290-L304 HydrophobicContact CD2-CD2 4.21Å; Y290-L304 HydrophobicContact CE2-CD2 3.56Å; Y290-L304 HydrophobicContact CE2-CG 4.27Å
291L74.6Confident72.2Confident91 Ų9190.4 Ų90.448%0.47655%0.548SS..THydrogen-bonded Turntrans-65.6121.9179.5-158.6144.6000110D281 C285 C288D281-L291 WeakPolarHBondContact OD1-CA 3.47Å; C285-L291 WeakPolarHBondContact O-CD1 3.45Å; C288-L291 HydrophobicContact CB-CB 4.43Å; C288-L291 WeakPolarHBondContact O-CB 3.26Å; C288-L291 PolarHBondContact O-N 3.44Å; C288-L291 VanDerWaalsContact O-N 3.11Å
292G77.4Confident71.7Confident61 Ų6190 Ų9063%0.62955%0.548SS*.THydrogen-bonded Turntrans101.4-3-173.900000114.5D281 Y290D281-G292 PolarHBondContact OD1-N 3.46Å; D281-G292 VanDerWaalsContact OD1-N 3.14Å; D281-G292 WeakPolarHBondContact OD2-CA 3.27Å; D281-G292 PolarHBondContact OD2-N 2.93Å; Y290-G292 PolarHBondContact O-N 3.33Å
293M76.6Confident71Confident105 Ų10592.4 Ų92.452%0.51755%0.547SS..SBendtrans-100150.4174.9-61.6-171.686.700111.1R284 Y290R284-M293 PolarHBondContact NH1-O 3.31Å; Y290-M293 HydrophobicContact CD1-SD 3.92Å; Y290-M293 WeakPolarHBondContact O-CB 3.38Å; Y290-M293 PolarHBondContact O-N 3.22Å; Y290-M293 VanDerWaalsContact O-N 3.1Å
294P74.6Confident70.6Confident111 Ų11191.6 Ų91.672%0.72155%0.548SS*.PPolyproline II helixtrans-56.1159.2-178.621.7-32.7000113.3R284 F296R284-P294 PolarHBondContact NH2-O 2.89Å; R284-P294 VanDerWaalsContact NH2-O 3.13Å; P294-F296 PolarHBondContact O-N 3.39Å
295A75.3Confident69.8Low56 Ų5694.6 Ų94.646%0.46357%0.573SS.*PPolyproline II helixtrans-61136.1178.500000111.2
296F73.3Confident69.1Low41 Ų4196.8 Ų96.818%0.1858%0.578CS.*PPolyproline II helixtrans-69.5144176.4-70.2-79.7000110.5Y290 P294 E300 V302Y290-F296 AromaticContact CD1-CZ 3.97Å; Y290-F296 HydrophobicContact CD1-CZ 3.97Å; Y290-F296 HydrophobicContact CD2-CE2 4.39Å; Y290-F296 HydrophobicContact CD2-CZ 4.35Å; Y290-F296 HydrophobicContact CE1-CZ 4.33Å; Y290-F296 HydrophobicContact CG-CE2 4.13Å; Y290-F296 AromaticContact CG-CZ 3.98Å; Y290-F296 HydrophobicContact CG-CZ 3.98Å; P294-F296 PolarHBondContact O-N 3.39Å; F296-E300 HydrophobicContact CD1-CG 4.47Å; F296-V302 HydrophobicContact CD1-CG2 3.86Å; F296-V302 HydrophobicContact CD2-CG2 3.76Å; F296-V302 HydrophobicContact CE1-CG2 3.89Å; F296-V302 HydrophobicContact CE2-CG1 4.3Å; F296-V302 HydrophobicContact CE2-CG2 3.8Å; F296-V302 HydrophobicContact CG-CG2 3.79Å; F296-V302 HydrophobicContact CZ-CG1 4.09Å; F296-V302 HydrophobicContact CZ-CG2 3.87Å
297K72.6Confident68.4Low164 Ų16496.7 Ų96.771%0.71357%0.571SS**PPolyproline II helixtrans-71.6144.3175.8-69.1-179.2-177.31750110G299 E300K297-G299 PolarHBondContact O-N 2.92Å; K297-E300 WeakPolarHBondContact O-CB 3.48Å; K297-E300 PolarHBondContact O-N 3.46Å; K297-E300 VanDerWaalsContact O-N 3.11Å
298P66.3Low67.8Low98 Ų9896.8 Ų96.864%0.63656%0.563SS**THydrogen-bonded Turntrans-54.6117175-23.933.1000110.8
299G67.4Low67.1Low81 Ų81101 Ų10184%0.83558%0.582SS**THydrogen-bonded Turntrans106.5-6-179.800000116.2K297K297-G299 PolarHBondContact O-N 2.92Å
300E66.9Low65.9Low114 Ų114106.1 Ų106.153%0.53360%0.599SS.*  trans-79.2124.6176.5-163.9171.8177.500111.2F296 K297 V302F296-E300 HydrophobicContact CD1-CG 4.47Å; K297-E300 WeakPolarHBondContact O-CB 3.48Å; K297-E300 PolarHBondContact O-N 3.46Å; K297-E300 VanDerWaalsContact O-N 3.11Å; E300-V302 PolarHBondContact O-N 3.24Å
301K61.5Low64.4Low192 Ų192111.4 Ų111.484%0.83563%0.631SS**  trans-79.9108.3179.2-73.9-175.9179.7179.80109.9L303K301-L303 PolarHBondContact O-N 3.07Å
302V64.9Low62.5Low51 Ų51115.2 Ų115.231%0.30968%0.676SS.*  trans-75.1117173.2-1740000108.9Y290 F296 E300Y290-V302 HydrophobicContact CD2-CG1 3.87Å; Y290-V302 HydrophobicContact CE2-CG1 3.27Å; F296-V302 HydrophobicContact CD1-CG2 3.86Å; F296-V302 HydrophobicContact CD2-CG2 3.76Å; F296-V302 HydrophobicContact CE1-CG2 3.89Å; F296-V302 HydrophobicContact CE2-CG1 4.3Å; F296-V302 HydrophobicContact CE2-CG2 3.8Å; F296-V302 HydrophobicContact CG-CG2 3.79Å; F296-V302 HydrophobicContact CZ-CG1 4.09Å; F296-V302 HydrophobicContact CZ-CG2 3.87Å; E300-V302 PolarHBondContact O-N 3.24Å
303L62.8Low61.7Low141 Ų141117.9 Ų117.974%0.73868%0.678SS**  trans-97.2101.1177.2-65.6175000109.8Y290 K301Y290-L303 PolarHBondContact OH-O 2.87Å; K301-L303 PolarHBondContact O-N 3.07Å
304L61.8Low61Low109 Ų109118.6 Ų118.657%0.57169%0.686SS**  trans-79130.9170.5-68.8158.7000108.9P289 Y290P289-L304 HydrophobicContact CG-CD2 3.89Å; Y290-L304 HydrophobicContact CD2-CD2 4.21Å; Y290-L304 HydrophobicContact CE2-CD2 3.56Å; Y290-L304 HydrophobicContact CE2-CG 4.27Å
305S58.2Low60.2Low87 Ų87119 Ų11961%0.60869%0.685SS**  trans-86.9137.7172.7-50.20000109.8S307S305-S307 PolarHBondContact O-N 3.04Å
306D57.5Low59.3Low145 Ų145122.7 Ų122.778%0.77570%0.698SS**G310 helixtrans-60.4-10.1-171.9-80.5-51.1000115.9N308D306-N308 VanDerWaalsContact C-N 3.26Å; D306-N308 PolarHBondContact O-N 3.49Å
307S56.6Low58.4Low98 Ų98127.8 Ų127.869%0.68573%0.73SS**G310 helixtrans-75.1-4-175.933.90000115.6S305S305-S307 PolarHBondContact O-N 3.04Å
308N56.1Low57.5Low118 Ų118125.4 Ų125.463%0.63173%0.731SS**G310 helixtrans-124.815.6-175.9-72.2-43.9000114.6D306 H310D306-N308 VanDerWaalsContact C-N 3.26Å; D306-N308 PolarHBondContact O-N 3.49Å; N308-H310 PolarHBondContact O-N 2.78Å
309L56.2Low56.9Low122 Ų122127.4 Ų127.464%0.63974%0.738SS**  trans-86.599171.6-64.3175.1000108.9
310H50.5Low56.1Low184 Ų184130.9 Ų130.985%0.85273%0.73SS**  trans-93.2113161.4-72.7-9.4000107.9N308 A312N308-H310 PolarHBondContact O-N 2.78Å; H310-A312 PolarHBondContact O-N 2.7Å
311D41.8Very low55.1Low171 Ų171132.3 Ų132.391%0.91475%0.747SS**  trans-84.5104.4-177.2-146.31.9000108.7
312A33.8Very low54.6Low170 Ų170126.9 Ų126.9100%1.40574%0.739SS**  trans171.90149.800000110.5H310H310-A312 PolarHBondContact O-N 2.7Å

Retrieved 312 of 312 residues in 188.4 ms (Link to these results)