A0A096MXG2_PAPAN Loading...

Integrator complex subunit 13

AlphaFold DB (H9FX01), UniProt , Accession A0A096MXG2, Species PAPAN (Papio anubis, Olive baboon), Gene INTS13, Length 706 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
1M48.5Very low87.6Confident144 Ų14448.9 Ų48.971%0.70924%0.237SC*.  084.50-75.2164.6161.800110L147 R153M1-L147 HydrophobicContact CE-CD1 3.66Å; M1-R153 HydrophobicContact CE-CB 3.55Å; M1-R153 WeakPolarHBondContact CE-O 3.33Å; M1-R153 HydrophobicContact SD-CB 4.14Å
2K61.8Low88.5Confident200 Ų20044.8 Ų44.887%0.8722%0.218SC*.  trans-85.9-11.7-176.9-73.3-176.5175.1-177.80114.1
3I77.9Confident89.3Confident84 Ų8441.4 Ų41.443%0.43120%0.201SC..SBendtrans-78.1-43.5-170.6-61.2173.8000111.8S5 K73I3-S5 VanDerWaalsContact C-N 3.29Å; I3-S5 PolarHBondContact O-N 3.39Å; I3-K73 HydrophobicContact CG2-CD 4.31Å
4F94Very high90Very high24 Ų2438.4 Ų38.411%0.10519%0.187CC..SBendtrans-92.750.3-177.5-50.3-53.8000112.6H8 Y139 Q140 A143 V154 G155F4-H8 AromaticContact CD1-CD2 3.59Å; F4-H8 AromaticContact CD1-CE1 3.99Å; F4-H8 AromaticContact CD1-CG 3.85Å; F4-H8 AromaticContact CD1-NE2 3.67Å; F4-H8 AromaticContact CE1-NE2 3.89Å; F4-Y139 WeakPolarHBondContact CZ-O 3.38Å; F4-Q140 HydrophobicContact CD1-CG 3.85Å; F4-Q140 HydrophobicContact CE1-CG 3.78Å; F4-Q140 HydrophobicContact CG-CG 4.29Å; F4-Q140 HydrophobicContact CZ-CG 4.18Å; F4-A143 HydrophobicContact CE2-CB 3.7Å; F4-A143 HydrophobicContact CZ-CB 3.78Å; F4-V154 HydrophobicContact CD2-CG1 3.78Å; F4-V154 HydrophobicContact CE2-CG1 3.71Å; F4-G155 VanDerWaalsContact CB-O 3.23Å; F4-G155 WeakPolarHBondContact CB-O 3.43Å
5S94.7Very high90.5Very high28 Ų2835.9 Ų35.920%0.19617%0.174CC..SBendtrans-78.9-178.7169.163.60000111.1I3 S7 H8I3-S5 VanDerWaalsContact C-N 3.29Å; I3-S5 PolarHBondContact O-N 3.39Å; S5-S7 PolarHBondContact O-N 2.68Å; S5-S7 VanDerWaalsContact O-N 3.07Å; S5-S7 PolarHBondContact OG-OG 3.39Å; S5-H8 VanDerWaalsContact O-CB 3.29Å; S5-H8 WeakPolarHBondContact O-CB 3.44Å; S5-H8 PolarHBondContact O-N 3.36Å
6E95.3Very high91Very high45 Ų4534.8 Ų34.821%0.2117%0.169CC..THydrogen-bonded Turntrans-56-25179.1-59.973.7-162.600112.5R157 G158 R159 K201E6-R157 HydrophobicContact CG-CB 4.31Å; E6-R157 VanDerWaalsContact OE1-CD 3.26Å; E6-R157 WeakPolarHBondContact OE1-CD 3.19Å; E6-R157 IonicContact OE1-CZ 2.71Å; E6-R157 IonicContact OE1-NE 2.77Å; E6-R157 IonicContact OE1-NH1 3.16Å; E6-R157 PolarHBondContact OE1-NH1 3.33Å; E6-G158 CarbonylContact O-C 3.5Å; E6-G158 WeakPolarHBondContact O-CA 3.33Å; E6-R159 PolarHBondContact O-N 3.47Å; E6-K201 HydrophobicContact CG-CG 4.46Å
7S96.4Very high91.3Very high13 Ų1332.8 Ų32.89%0.09116%0.159CC..THydrogen-bonded Turntrans-85-4.5177.760.70000114.4S5 K74 H254S5-S7 PolarHBondContact O-N 2.68Å; S5-S7 VanDerWaalsContact O-N 3.07Å; S5-S7 PolarHBondContact OG-OG 3.39Å; S7-K74 WeakPolarHBondContact O-CD 3.32Å; S7-K74 PolarHBondContact OG-NZ 3.45Å; S7-H254 WeakPolarHBondContact CB-O 3.42Å
8H98.3Very high91.7Very high0 Ų031.9 Ų31.90%016%0.156CC..SBendtrans-66.6-43.2174.6177.951.2000112.1F4 S5 K73 L75 T137F4-H8 AromaticContact CD1-CD2 3.59Å; F4-H8 AromaticContact CD1-CE1 3.99Å; F4-H8 AromaticContact CD1-CG 3.85Å; F4-H8 AromaticContact CD1-NE2 3.67Å; F4-H8 AromaticContact CE1-NE2 3.89Å; S5-H8 VanDerWaalsContact O-CB 3.29Å; S5-H8 WeakPolarHBondContact O-CB 3.44Å; S5-H8 PolarHBondContact O-N 3.36Å; H8-K73 PolarHBondContact ND1-O 3.4Å; H8-L75 PolarHBondContact O-N 3.12Å; H8-T137 PolarHBondContact NE2-OG1 2.71Å
9K98.7Very high91.9Very high0 Ų034.3 Ų34.30%016%0.164CC..EExtended strand (participates in β ladder)trans-118.6113.9178.5-68.7-179.2176.9176.60109.9W91 L133 K135 T137 N156 G158 R159K9-W91 HydrophobicContact CB-CH2 3.64Å; K9-W91 HydrophobicContact CB-CZ2 4.06Å; K9-W91 HydrophobicContact CB-CZ3 4.08Å; K9-W91 HydrophobicContact CD-CZ2 4.15Å; K9-W91 HydrophobicContact CG-CH2 4.02Å; K9-W91 HydrophobicContact CG-CZ2 4.14Å; K9-W91 HydrophobicContact CG-CZ3 4.22Å; K9-L133 HydrophobicContact CB-CD2 3.69Å; K9-L133 HydrophobicContact CD-CD2 3.99Å; K9-L133 PolarHBondContact NZ-O 3.45Å; K9-K135 PolarHBondContact NZ-O 3.49Å; K9-T137 HydrophobicContact CD-CG2 4.28Å; K9-T137 HydrophobicContact CG-CG2 4.12Å; K9-N156 WeakPolarHBondContact CE-OD1 3.34Å; K9-N156 PolarHBondContact NZ-OD1 3Å; K9-G158 CarbonylContact O-C 3.55Å; K9-G158 WeakPolarHBondContact O-CA 3.45Å; K9-R159 PolarHBondContact O-N 3.37Å
10T98.9Very high92.2Very high0 Ų032.6 Ų32.60%016%0.156CC..EExtended strand (participates in β ladder)trans-113127.5171.3-57.70000109.1F12 L75 V76 N77 R159 I161T10-F12 HydrophobicContact CG2-CD2 4.48Å; T10-F12 HydrophobicContact CG2-CE2 4.29Å; T10-L75 PolarHBondContact N-O 2.73Å; T10-V76 CarbonylContact O-C 3.59Å; T10-V76 WeakPolarHBondContact O-CA 3.29Å; T10-N77 PolarHBondContact O-N 2.97Å; T10-R159 CarbonylContact C-O 3.54Å; T10-R159 WeakPolarHBondContact CA-O 3.43Å; T10-I161 HydrophobicContact CG2-CD1 3.82Å; T10-I161 HydrophobicContact CG2-CG1 4.25Å
11V98.9Very high92.5Very high0 Ų032.2 Ų32.20%016%0.158CC..EExtended strand (participates in β ladder)trans-112.6117.1175.5-172.40000108.7V13 N77 I79 W91 A129 L133 R159 I160 I161V11-V13 HydrophobicContact CG1-CG2 4.2Å; V11-N77 CarbonylContact C-O 3.52Å; V11-N77 VanDerWaalsContact CA-O 3.29Å; V11-N77 WeakPolarHBondContact CA-O 3.46Å; V11-N77 HydrophobicContact CG1-CB 4.24Å; V11-N77 HydrophobicContact CG2-CB 4.2Å; V11-I79 HydrophobicContact CG1-CD1 3.53Å; V11-I79 HydrophobicContact CG1-CG1 3.89Å; V11-W91 HydrophobicContact CG2-CH2 3.68Å; V11-W91 HydrophobicContact CG2-CZ2 3.77Å; V11-A129 HydrophobicContact CB-CB 4.16Å; V11-A129 HydrophobicContact CG1-CB 3.57Å; V11-L133 HydrophobicContact CG2-CD2 3.88Å; V11-L133 HydrophobicContact CG2-CG 4Å; V11-R159 PolarHBondContact N-O 3.34Å; V11-I160 CarbonylContact O-C 3.59Å; V11-I160 WeakPolarHBondContact O-CA 3.44Å; V11-I161 PolarHBondContact O-N 2.92Å
12F98.9Very high94.9Very high0 Ų029.7 Ų29.70%015%0.145CC..EExtended strand (participates in β ladder)trans-83.4134167.4-85.5-78.8000109.4T10 Y62 V76 N77 F78 I79 I161 L247T10-F12 HydrophobicContact CG2-CD2 4.48Å; T10-F12 HydrophobicContact CG2-CE2 4.29Å; F12-Y62 AromaticContact CE2-CD1 3.68Å; F12-Y62 HydrophobicContact CE2-CD1 3.68Å; F12-Y62 HydrophobicContact CE2-CE1 4.04Å; F12-Y62 HydrophobicContact CE2-CG 4.28Å; F12-Y62 AromaticContact CZ-CD1 3.55Å; F12-Y62 HydrophobicContact CZ-CD1 3.55Å; F12-Y62 HydrophobicContact CZ-CD2 4.19Å; F12-Y62 HydrophobicContact CZ-CE1 4.01Å; F12-Y62 AromaticContact CZ-CG 3.69Å; F12-Y62 HydrophobicContact CZ-CG 3.69Å; F12-V76 HydrophobicContact CD2-CG1 4Å; F12-N77 PolarHBondContact N-O 3.48Å; F12-F78 HydrophobicContact CB-CD2 3.88Å; F12-F78 HydrophobicContact CB-CE2 4Å; F12-F78 HydrophobicContact CB-CG 4.21Å; F12-F78 HydrophobicContact CB-CZ 4.43Å; F12-F78 HydrophobicContact CD2-CD2 4.37Å; F12-F78 HydrophobicContact CD2-CE2 4.48Å; F12-F78 HydrophobicContact CG-CD2 4.31Å; F12-F78 HydrophobicContact CG-CE2 4.2Å; F12-I79 WeakPolarHBondContact O-CA 3.31Å; F12-I79 WeakPolarHBondContact O-CB 3.36Å; F12-I79 PolarHBondContact O-N 3.1Å; F12-I161 WeakPolarHBondContact CA-O 3.15Å; F12-I161 HydrophobicContact CD1-CB 3.93Å; F12-I161 HydrophobicContact CD1-CG2 4.03Å; F12-I161 HydrophobicContact CE1-CB 3.85Å; F12-I161 HydrophobicContact CE1-CD1 4.03Å; F12-I161 HydrophobicContact CE1-CG2 3.66Å; F12-I161 HydrophobicContact CE2-CD1 4.42Å; F12-I161 HydrophobicContact CZ-CB 4.48Å; F12-I161 HydrophobicContact CZ-CD1 3.84Å; F12-L247 HydrophobicContact CE1-CD2 4.19Å
13V98.9Very high96.6Very high0 Ų022.2 Ų22.20%012%0.118CC..EExtended strand (participates in β ladder)trans-124.9107.3171.7-171.10000107.7V11 I79 I122 L126 A129 I160 I161 C162 I163V11-V13 HydrophobicContact CG1-CG2 4.2Å; V13-I79 CarbonylContact C-O 3.57Å; V13-I79 WeakPolarHBondContact CA-O 3.45Å; V13-I79 HydrophobicContact CG2-CB 4.48Å; V13-I122 HydrophobicContact CG1-CD1 3.63Å; V13-I122 HydrophobicContact CG1-CG1 4.47Å; V13-L126 HydrophobicContact CG2-CD2 4.48Å; V13-A129 HydrophobicContact CG2-CB 3.68Å; V13-I160 HydrophobicContact CG2-CG2 3.89Å; V13-I161 PolarHBondContact N-O 3.44Å; V13-C162 HydrophobicContact CB-CB 4.31Å; V13-C162 CarbonylContact O-C 3.56Å; V13-C162 VanDerWaalsContact O-CA 3.27Å; V13-C162 WeakPolarHBondContact O-CA 3.37Å; V13-I163 PolarHBondContact O-N 3.18Å
14V98.8Very high97.5Very high0 Ų018.3 Ų18.30%010%0.098CC..EExtended strand (participates in β ladder)trans-112.5128.8-179.1-170.60000109.8W52 F78 I79 V80 S81V14-W52 HydrophobicContact CB-CZ3 4.04Å; V14-W52 HydrophobicContact CG1-CE3 3.77Å; V14-W52 HydrophobicContact CG1-CZ3 3.53Å; V14-F78 HydrophobicContact CB-CE1 4.34Å; V14-F78 HydrophobicContact CG2-CE1 3.8Å; V14-F78 HydrophobicContact CG2-CZ 3.71Å; V14-I79 PolarHBondContact N-O 3.38Å; V14-V80 WeakPolarHBondContact O-CA 3.45Å; V14-S81 PolarHBondContact O-N 3.46Å
15D97.4Very high97.7Very high0 Ų022.7 Ų22.70%011%0.114CC..EExtended strand (participates in β ladder)trans-71.5131.1179.6-163.7-24.9000112.2C17 Y19 M20 I122 I163 T164D15-C17 WeakPolarHBondContact OD1-CB 3.42Å; D15-C17 PolarHBondContact OD1-N 2.97Å; D15-C17 PolarHBondContact OD1-SG 3.48Å; D15-Y19 VanDerWaalsContact OD2-CE2 3.26Å; D15-Y19 WeakPolarHBondContact OD2-CE2 3.47Å; D15-Y19 VanDerWaalsContact OD2-CZ 3.23Å; D15-Y19 PolarHBondContact OD2-OH 3.23Å; D15-M20 HydrophobicContact CB-CE 4.27Å; D15-M20 HydrophobicContact CB-CG 3.88Å; D15-M20 HydrophobicContact CB-SD 4.16Å; D15-M20 WeakPolarHBondContact O-CG 3.46Å; D15-I122 HydrophobicContact CB-CD1 3.83Å; D15-I163 PolarHBondContact N-O 3.35Å; D15-I163 VanDerWaalsContact N-O 3.14Å; D15-T164 WeakPolarHBondContact OD2-CB 3.48Å; D15-T164 PolarHBondContact OD2-OG1 3.4Å
16H98.1Very high97.8Very high19 Ų1923.2 Ų23.29%0.08811%0.113CC..  trans-118.217.3176.5-165.4-100.6000112.9W52 V80 S81 D82 G109 P110 P111H16-W52 HydrophobicContact CB-CE3 4.39Å; H16-W52 HydrophobicContact CB-CH2 4.48Å; H16-W52 HydrophobicContact CB-CZ3 4.01Å; H16-W52 AromaticContact CD2-CD2 3.81Å; H16-W52 AromaticContact CD2-CE2 3.69Å; H16-W52 AromaticContact CD2-CE3 3.8Å; H16-W52 AromaticContact CD2-CH2 3.59Å; H16-W52 AromaticContact CD2-CZ2 3.59Å; H16-W52 AromaticContact CD2-CZ3 3.68Å; H16-V80 HydrophobicContact CB-CG1 3.38Å; H16-S81 PolarHBondContact N-O 2.9Å; H16-D82 HydrophobicContact CB-CB 4.2Å; H16-D82 IonicContact ND1-OD2 3.12Å; H16-G109 PolarHBondContact NE2-O 3.37Å; H16-P110 VanDerWaalsContact NE2-C 3.32Å; H16-P111 WeakPolarHBondContact O-CB 3.4Å
17C97.4Very high97.8Very high0 Ų027.1 Ų27.10%013%0.131CC..SBendtrans-61.8157.6173.9-63.10000112.1D15 Y19 M20 P111 C120D15-C17 WeakPolarHBondContact OD1-CB 3.42Å; D15-C17 PolarHBondContact OD1-N 2.97Å; D15-C17 PolarHBondContact OD1-SG 3.48Å; C17-Y19 HydrophobicContact CB-CD1 3.77Å; C17-Y19 HydrophobicContact CB-CD2 4.44Å; C17-Y19 HydrophobicContact CB-CE1 3.26Å; C17-Y19 HydrophobicContact CB-CE2 3.97Å; C17-Y19 HydrophobicContact CB-CG 4.35Å; C17-Y19 PolarHBondContact O-N 3.25Å; C17-M20 WeakPolarHBondContact O-CB 3.3Å; C17-M20 PolarHBondContact O-N 3.33Å; C17-P111 WeakPolarHBondContact O-CB 3.44Å; C17-C120 HydrophobicContact CB-CB 4.06Å; C17-C120 WeakPolarHBondContact SG-CB 3.31Å
18P97.6Very high97.6Very high17 Ų1729.1 Ų29.111%0.1114%0.142CC..G310 helixtrans-51.7-36-176.2-30.836.6000115.5M20 A21 N112 A115P18-M20 PolarHBondContact O-N 3.24Å; P18-A21 WeakPolarHBondContact O-CB 3.28Å; P18-A21 PolarHBondContact O-N 3.22Å; P18-A21 VanDerWaalsContact O-N 3.14Å; P18-N112 WeakPolarHBondContact CB-O 3.45Å; P18-A115 HydrophobicContact CG-CB 4.05Å; P18-A115 WeakPolarHBondContact CG-O 3.31Å
19Y96.3Very high97.3Very high77 Ų7734.5 Ų34.530%0.30217%0.168SC..G310 helixtrans-66.2-18.8179.253.6-104.1000113.6D15 C17 A21 E22 N165D15-Y19 VanDerWaalsContact OD2-CE2 3.26Å; D15-Y19 WeakPolarHBondContact OD2-CE2 3.47Å; D15-Y19 VanDerWaalsContact OD2-CZ 3.23Å; D15-Y19 PolarHBondContact OD2-OH 3.23Å; C17-Y19 HydrophobicContact CB-CD1 3.77Å; C17-Y19 HydrophobicContact CB-CD2 4.44Å; C17-Y19 HydrophobicContact CB-CE1 3.26Å; C17-Y19 HydrophobicContact CB-CE2 3.97Å; C17-Y19 HydrophobicContact CB-CG 4.35Å; C17-Y19 PolarHBondContact O-N 3.25Å; Y19-A21 PolarHBondContact O-N 3.23Å; Y19-E22 VanDerWaalsContact O-CB 3.25Å; Y19-E22 WeakPolarHBondContact O-CB 3.31Å; Y19-E22 PolarHBondContact O-N 2.9Å; Y19-N165 HydrophobicContact CD2-CB 4.03Å; Y19-N165 HydrophobicContact CE2-CB 4.15Å
20M98.3Very high96.8Very high0 Ų039.2 Ų39.20%019%0.188CC..G310 helixtrans-73.7-11.5176.1-65.6-64.6-68.600112.6D15 C17 P18 E22 L51 W52 P111 N165 T209D15-M20 HydrophobicContact CB-CE 4.27Å; D15-M20 HydrophobicContact CB-CG 3.88Å; D15-M20 HydrophobicContact CB-SD 4.16Å; D15-M20 WeakPolarHBondContact O-CG 3.46Å; C17-M20 WeakPolarHBondContact O-CB 3.3Å; C17-M20 PolarHBondContact O-N 3.33Å; P18-M20 PolarHBondContact O-N 3.24Å; M20-E22 PolarHBondContact O-N 3.27Å; M20-L51 HydrophobicContact CE-CB 4.15Å; M20-L51 PolarHBondContact O-N 3.47Å; M20-L51 HydrophobicContact SD-CB 4.36Å; M20-W52 HydrophobicContact CB-CB 4.12Å; M20-W52 WeakPolarHBondContact O-CB 3.34Å; M20-W52 PolarHBondContact O-N 3.49Å; M20-P111 HydrophobicContact CB-CG 3.94Å; M20-N165 HydrophobicContact SD-CB 3.96Å; M20-T209 HydrophobicContact CE-CG2 4.47Å
21A97.9Very high96Very high26 Ų2640.2 Ų40.222%0.21519%0.194CC..G310 helixtrans-75.8-10.6170.500000113.7P18 Y19 P111 P113P18-A21 WeakPolarHBondContact O-CB 3.28Å; P18-A21 PolarHBondContact O-N 3.22Å; P18-A21 VanDerWaalsContact O-N 3.14Å; Y19-A21 PolarHBondContact O-N 3.23Å; A21-P111 HydrophobicContact CB-CB 4.19Å; A21-P113 HydrophobicContact CB-CB 4.31Å; A21-P113 HydrophobicContact CB-CG 3.69Å
22E97.8Very high94.7Very high90 Ų9046 Ų4642%0.42122%0.222SC..SBendtrans-54.8139.8178.4-172.666.5-15900110.7Y19 M20 R25 S50 L51 P211Y19-E22 VanDerWaalsContact O-CB 3.25Å; Y19-E22 WeakPolarHBondContact O-CB 3.31Å; Y19-E22 PolarHBondContact O-N 2.9Å; M20-E22 PolarHBondContact O-N 3.27Å; E22-R25 IonicContact OE1-NH2 3.27Å; E22-R25 PolarHBondContact OE1-NH2 3.35Å; E22-S50 CarbonylContact O-C 3.48Å; E22-S50 VanDerWaalsContact O-CA 3.24Å; E22-S50 WeakPolarHBondContact O-CA 3.47Å; E22-L51 HydrophobicContact CB-CD1 4.23Å; E22-L51 HydrophobicContact CB-CG 4.44Å; E22-L51 PolarHBondContact O-N 3.13Å; E22-P211 HydrophobicContact CG-CG 4.06Å
23S98Very high93.1Very high44 Ų4450.6 Ų50.631%0.30825%0.246SC..EExtended strand (participates in β ladder)trans-64.8136177.4175.50000110.7R25 S48S23-R25 PolarHBondContact O-N 3.43Å; S23-R25 PolarHBondContact OG-N 3.28Å; S23-R25 VanDerWaalsContact OG-N 3.11Å; S23-S48 WeakPolarHBondContact OG-CB 3.43Å
24C97.6Very high91Very high2 Ų255 Ų551%0.01427%0.273CS..EExtended strand (participates in β ladder)trans-70.8-9.4172.574.30000113Q26 K49 L51 V212 A239C24-Q26 PolarHBondContact O-N 3.46Å; C24-K49 WeakPolarHBondContact CB-O 3.34Å; C24-K49 PolarHBondContact N-O 3.16Å; C24-K49 PolarHBondContact SG-O 2.93Å; C24-L51 HydrophobicContact CB-CD2 4.27Å; C24-V212 PolarHBondContact O-N 3.36Å; C24-A239 HydrophobicContact CB-CB 3.65Å
25R97.4Very high89Confident116 Ų11663 Ų6344%0.43831%0.308SS..EExtended strand (participates in β ladder)trans56.215.8-178.5-55.6-175.7-173.2152.513.9114.9E22 S23 P211 E214E22-R25 IonicContact OE1-NH2 3.27Å; E22-R25 PolarHBondContact OE1-NH2 3.35Å; S23-R25 PolarHBondContact O-N 3.43Å; S23-R25 PolarHBondContact OG-N 3.28Å; S23-R25 VanDerWaalsContact OG-N 3.11Å; R25-P211 HydrophobicContact CG-CB 4.28Å; R25-E214 IonicContact CZ-OE1 3.69Å; R25-E214 IonicContact NH1-OE1 3.78Å; R25-E214 PolarHBondContact NH1-OE1 2.95Å; R25-E214 IonicContact NH2-OE1 2.75Å; R25-E214 PolarHBondContact NH2-OE1 3.4Å
26Q96.6Very high87Confident39 Ų3969.5 Ų69.518%0.18234%0.343CS..EExtended strand (participates in β ladder)trans-92.5115.4166-172.6164.962.800108.6C24 S48 V212C24-Q26 PolarHBondContact O-N 3.46Å; Q26-S48 VanDerWaalsContact C-OG 3.3Å; Q26-S48 WeakPolarHBondContact O-CB 3.4Å; Q26-S48 PolarHBondContact O-OG 3.41Å; Q26-V212 HydrophobicContact CB-CG2 4.07Å
27H95.1Very high84.9Confident127 Ų12780.1 Ų80.159%0.58838%0.382SS*.EExtended strand (participates in β ladder)trans-70.4136.8-179.7-69.8-58.9000111.7P46 I47H27-P46 HydrophobicContact CB-CB 4.04Å; H27-P46 HydrophobicContact CB-CG 4.37Å; H27-I47 CarbonylContact C-O 3.52Å
28V93.9Very high83.1Confident54 Ų5484.8 Ų84.833%0.32741%0.41SS..EExtended strand (participates in β ladder)trans-112.1109173.1-177.90000107.3F30 I47 K49V28-F30 PolarHBondContact O-N 3.01Å; V28-I47 HydrophobicContact CB-CG1 4.49Å; V28-I47 PolarHBondContact N-O 3.04Å; V28-I47 PolarHBondContact O-N 3.19Å; V28-K49 HydrophobicContact CG2-CG 4.39Å
29E90.3Very high81.3Confident113 Ų11393.4 Ų93.453%0.52845%0.449SS..  trans-77.7115.5171.2-62.6-63.8161.200108.6
30F88.1Confident80.2Confident99 Ų9993.6 Ų93.643%0.43448%0.475SS..  trans-117.6-21.5178.966.3-85000112.4V28 M32 L44 A45 I47V28-F30 PolarHBondContact O-N 3.01Å; F30-M32 PolarHBondContact O-N 3.15Å; F30-L44 HydrophobicContact CE2-CB 4.21Å; F30-L44 HydrophobicContact CE2-CD1 3.69Å; F30-L44 HydrophobicContact CZ-CB 3.85Å; F30-L44 HydrophobicContact CZ-CD1 3.99Å; F30-A45 WeakPolarHBondContact CE1-O 3.03Å; F30-I47 HydrophobicContact CD1-CD1 4.35Å; F30-I47 HydrophobicContact CD1-CG1 3.96Å; F30-I47 HydrophobicContact CE1-CD1 4.42Å; F30-I47 HydrophobicContact CE1-CG1 4.01Å; F30-I47 HydrophobicContact CE1-CG2 4.01Å
31D83.3Confident79Confident22 Ų2298.6 Ų98.612%0.11850%0.5CS..  trans-86.999.9173.4-1730.6000110.4L33 P43 L44D31-L33 VanDerWaalsContact C-N 3.27Å; D31-L33 PolarHBondContact O-N 3.1Å; D31-L33 WeakPolarHBondContact OD1-CB 3.48Å; D31-L33 WeakPolarHBondContact OD1-CD1 3.42Å; D31-L33 WeakPolarHBondContact OD1-CG 3.31Å; D31-L33 PolarHBondContact OD1-N 3.22Å; D31-P43 VanDerWaalsContact OD2-CA 3.25Å; D31-P43 WeakPolarHBondContact OD2-CA 3.27Å; D31-L44 HydrophobicContact CB-CB 4.11Å; D31-L44 PolarHBondContact OD2-N 3.3Å
32M71.8Confident78Confident121 Ų121104.6 Ų104.660%0.59653%0.527SS*.G310 helixtrans-842.9-174.1-62.7-66.3-75.200113.6F30 V34 K35F30-M32 PolarHBondContact O-N 3.15Å; M32-V34 PolarHBondContact O-N 3.3Å; M32-K35 PolarHBondContact O-N 3.32Å
33L63.9Low77.2Confident96 Ų96103.5 Ų103.550%0.50353%0.528SS..G310 helixtrans-62.1-14.5179.9-68.1172000113.4D31 K35 N36 I41D31-L33 VanDerWaalsContact C-N 3.27Å; D31-L33 PolarHBondContact O-N 3.1Å; D31-L33 WeakPolarHBondContact OD1-CB 3.48Å; D31-L33 WeakPolarHBondContact OD1-CD1 3.42Å; D31-L33 WeakPolarHBondContact OD1-CG 3.31Å; D31-L33 PolarHBondContact OD1-N 3.22Å; L33-K35 PolarHBondContact O-N 3.07Å; L33-K35 VanDerWaalsContact O-N 3.16Å; L33-N36 PolarHBondContact O-N 3.36Å; L33-I41 HydrophobicContact CD1-CG2 4.2Å
34V56.4Low76.7Confident92 Ų92106.6 Ų106.656%0.55854%0.54SS*.G310 helixtrans-59.8-25.3178.2-168.50000113M32 P43M32-V34 PolarHBondContact O-N 3.3Å; V34-P43 HydrophobicContact CG2-CB 4.02Å; V34-P43 HydrophobicContact CG2-CG 4.43Å
35K56.9Low76.4Confident169 Ų169110.2 Ų110.274%0.73557%0.57SS**G310 helixtrans-87.2-22-175.3-68.7-174.2-179.31800115M32 L33M32-K35 PolarHBondContact O-N 3.32Å; L33-K35 PolarHBondContact O-N 3.07Å; L33-K35 VanDerWaalsContact O-N 3.16Å
36N54.9Low76.2Confident137 Ų137106.9 Ų106.973%0.73356%0.564SS**SBendtrans-122.588.1179.1-81.2-12.1000110.1L33 T38L33-N36 PolarHBondContact O-N 3.36Å; N36-T38 PolarHBondContact O-N 3.32Å
37R54.6Low76.1Confident242 Ų242110 Ų11091%0.91358%0.58SS**  trans-60.694.7-177.1-68.7-178.6-179.3-179.8-0.5112
38T57.9Low76.2Confident97 Ų97105.7 Ų105.760%0.59557%0.565SS**  trans-84120.7150.76.70000106.9N36 G40N36-T38 PolarHBondContact O-N 3.32Å; T38-G40 PolarHBondContact O-N 3.11Å
39Q61.2Low76.5Confident199 Ų199106.5 Ų106.593%0.9356%0.564SS**THydrogen-bonded Turntrans-61.1125.3178.7-73.6179.5-17.200109.6
40G71.7Confident76.9Confident81 Ų81102 Ų10284%0.83555%0.545SS*.THydrogen-bonded Turntrans1131171.200000117.3T38T38-G40 PolarHBondContact O-N 3.11Å
41I73.9Confident77.4Confident104 Ų10497.4 Ų97.453%0.53353%0.525SS..  trans-105.8127.3177.2-56.3177.2000110.2L33L33-I41 HydrophobicContact CD1-CG2 4.2Å
42I77.9Confident78.1Confident153 Ų15397 Ų9779%0.78552%0.522SS*.PPolyproline II helixtrans-90.3122.6175-59.1175.4000108
43P80.8Confident79.4Confident67 Ų6793.7 Ų93.744%0.43551%0.508SS..PPolyproline II helixtrans-67.8150178.229.1-34.3000111.2D31 V34D31-P43 VanDerWaalsContact OD2-CA 3.25Å; D31-P43 WeakPolarHBondContact OD2-CA 3.27Å; V34-P43 HydrophobicContact CG2-CB 4.02Å; V34-P43 HydrophobicContact CG2-CG 4.43Å
44L87.3Confident81Confident109 Ų10989.1 Ų89.157%0.57148%0.484SS*.PPolyproline II helixtrans-64.6147.1173.3-67.9174000111.1F30 D31F30-L44 HydrophobicContact CE2-CB 4.21Å; F30-L44 HydrophobicContact CE2-CD1 3.69Å; F30-L44 HydrophobicContact CZ-CB 3.85Å; F30-L44 HydrophobicContact CZ-CD1 3.99Å; D31-L44 HydrophobicContact CB-CB 4.11Å; D31-L44 PolarHBondContact OD2-N 3.3Å
45A90.3Very high83.1Confident77 Ų7784.8 Ų84.864%0.63646%0.458SS*.PPolyproline II helixtrans-66.113917600000110.5F30F30-A45 WeakPolarHBondContact CE1-O 3.03Å
46P92.8Very high85Confident47 Ų4777.5 Ų77.531%0.30543%0.428SS..PPolyproline II helixtrans-64.7148.2176.927.3-34.4000110.9H27H27-P46 HydrophobicContact CB-CB 4.04Å; H27-P46 HydrophobicContact CB-CG 4.37Å
47I96.1Very high87.1Confident103 Ų10375 Ų7553%0.52841%0.412SS..EExtended strand (participates in β ladder)trans-106.3166.2177.359.1172.2000110.7H27 V28 F30H27-I47 CarbonylContact C-O 3.52Å; V28-I47 HydrophobicContact CB-CG1 4.49Å; V28-I47 PolarHBondContact N-O 3.04Å; V28-I47 PolarHBondContact O-N 3.19Å; F30-I47 HydrophobicContact CD1-CD1 4.35Å; F30-I47 HydrophobicContact CD1-CG1 3.96Å; F30-I47 HydrophobicContact CE1-CD1 4.42Å; F30-I47 HydrophobicContact CE1-CG1 4.01Å; F30-I47 HydrophobicContact CE1-CG2 4.01Å
48S97.4Very high89.2Confident37 Ų3763.8 Ų63.826%0.25937%0.37SS..EExtended strand (participates in β ladder)trans-127147.9172.2-71.20000110.2S23 Q26S23-S48 WeakPolarHBondContact OG-CB 3.43Å; Q26-S48 VanDerWaalsContact C-OG 3.3Å; Q26-S48 WeakPolarHBondContact O-CB 3.4Å; Q26-S48 PolarHBondContact O-OG 3.41Å
49K98.4Very high91.2Very high72 Ų7259.1 Ų59.131%0.31334%0.342SS..EExtended strand (participates in β ladder)trans-79.4158.1175.8-61179.8-175.7-176.50110C24 V28 T53 E57C24-K49 WeakPolarHBondContact CB-O 3.34Å; C24-K49 PolarHBondContact N-O 3.16Å; C24-K49 PolarHBondContact SG-O 2.93Å; V28-K49 HydrophobicContact CG2-CG 4.39Å; K49-T53 HydrophobicContact CB-CG2 4.13Å; K49-T53 HydrophobicContact CD-CG2 4.13Å; K49-T53 HydrophobicContact CG-CG2 4.26Å; K49-E57 VanDerWaalsContact CD-OE2 3.3Å; K49-E57 WeakPolarHBondContact CD-OE2 3.4Å; K49-E57 WeakPolarHBondContact CE-OE1 3.38Å; K49-E57 IonicContact NZ-OE1 2.73Å; K49-E57 PolarHBondContact NZ-OE1 3.18Å; K49-E57 IonicContact NZ-OE2 2.93Å; K49-E57 PolarHBondContact NZ-OE2 2.95Å
50S98.6Very high92.9Very high18 Ų1850.5 Ų50.513%0.12630%0.301CS..EExtended strand (participates in β ladder)trans-78.9164.3170.368.10000111.7E22 W52 T53 C54E22-S50 CarbonylContact O-C 3.48Å; E22-S50 VanDerWaalsContact O-CA 3.24Å; E22-S50 WeakPolarHBondContact O-CA 3.47Å; S50-W52 VanDerWaalsContact C-N 3.28Å; S50-W52 PolarHBondContact O-N 3.4Å; S50-T53 PolarHBondContact O-N 3.27Å; S50-T53 WeakPolarHBondContact OG-CB 3.37Å; S50-T53 PolarHBondContact OG-N 2.92Å; S50-T53 PolarHBondContact OG-OG1 3.09Å; S50-C54 PolarHBondContact O-N 3.18Å; S50-C54 PolarHBondContact O-SG 3.19Å; S50-C54 VanDerWaalsContact O-SG 3.39Å
51L98.7Very high94.2Very high2 Ų249.8 Ų49.81%0.0128%0.276CS..Hα-helixtrans-58.9-40.1171.5-61.1-178.3000111.8M20 E22 C24 C54 S55 N165 P211 A239M20-L51 HydrophobicContact CE-CB 4.15Å; M20-L51 PolarHBondContact O-N 3.47Å; M20-L51 HydrophobicContact SD-CB 4.36Å; E22-L51 HydrophobicContact CB-CD1 4.23Å; E22-L51 HydrophobicContact CB-CG 4.44Å; E22-L51 PolarHBondContact O-N 3.13Å; C24-L51 HydrophobicContact CB-CD2 4.27Å; L51-C54 PolarHBondContact O-N 3.37Å; L51-S55 WeakPolarHBondContact O-CB 3.44Å; L51-S55 PolarHBondContact O-N 3.5Å; L51-S55 PolarHBondContact O-OG 3.4Å; L51-N165 HydrophobicContact CD1-CB 4.31Å; L51-P211 HydrophobicContact CD1-CG 4.48Å; L51-P211 HydrophobicContact CD2-CG 4.24Å; L51-A239 HydrophobicContact CD2-CB 3.46Å; L51-A239 VanDerWaalsContact CD2-CB 3.46Å
52W98.7Very high95.4Very high15 Ų1545 Ų456%0.05725%0.251CS..Hα-helixtrans-55.3-54.7171.9165.3-106.7000111.5V14 H16 M20 S50 C54 S55 V56 V80 L105 P111V14-W52 HydrophobicContact CB-CZ3 4.04Å; V14-W52 HydrophobicContact CG1-CE3 3.77Å; V14-W52 HydrophobicContact CG1-CZ3 3.53Å; H16-W52 HydrophobicContact CB-CE3 4.39Å; H16-W52 HydrophobicContact CB-CH2 4.48Å; H16-W52 HydrophobicContact CB-CZ3 4.01Å; H16-W52 AromaticContact CD2-CD2 3.81Å; H16-W52 AromaticContact CD2-CE2 3.69Å; H16-W52 AromaticContact CD2-CE3 3.8Å; H16-W52 AromaticContact CD2-CH2 3.59Å; H16-W52 AromaticContact CD2-CZ2 3.59Å; H16-W52 AromaticContact CD2-CZ3 3.68Å; M20-W52 HydrophobicContact CB-CB 4.12Å; M20-W52 WeakPolarHBondContact O-CB 3.34Å; M20-W52 PolarHBondContact O-N 3.49Å; S50-W52 VanDerWaalsContact C-N 3.28Å; S50-W52 PolarHBondContact O-N 3.4Å; W52-C54 VanDerWaalsContact C-N 3.32Å; W52-C54 PolarHBondContact O-N 3.05Å; W52-S55 WeakPolarHBondContact O-CB 3.45Å; W52-S55 PolarHBondContact O-N 2.81Å; W52-V56 HydrophobicContact CD2-CG2 3.84Å; W52-V56 HydrophobicContact CE3-CG2 4.09Å; W52-V56 HydrophobicContact CH2-CG2 3.86Å; W52-V56 HydrophobicContact CZ2-CG2 3.59Å; W52-V56 HydrophobicContact CZ3-CG2 4.11Å; W52-V56 WeakPolarHBondContact O-CG2 3.29Å; W52-V56 PolarHBondContact O-N 3.46Å; W52-V80 HydrophobicContact CH2-CB 4.43Å; W52-V80 HydrophobicContact CH2-CG1 3.68Å; W52-V80 HydrophobicContact CH2-CG2 3.81Å; W52-V80 HydrophobicContact CZ3-CG1 3.9Å; W52-V80 HydrophobicContact CZ3-CG2 4.47Å; W52-L105 HydrophobicContact CH2-CD2 4.09Å; W52-L105 HydrophobicContact CZ2-CD2 4.07Å; W52-P111 HydrophobicContact CB-CG 3.69Å; W52-P111 VanDerWaalsContact CD1-CD 3.44Å; W52-P111 HydrophobicContact CD2-CG 4.14Å; W52-P111 VanDerWaalsContact CG-CD 3.41Å; W52-P111 HydrophobicContact CG-CG 3.77Å
53T98.7Very high96.4Very high50 Ų5037.7 Ų37.731%0.30721%0.214SC..Hα-helixtrans-58.1-44.7-179.3-55.40000111.3K49 S50 S55 V56 E57K49-T53 HydrophobicContact CB-CG2 4.13Å; K49-T53 HydrophobicContact CD-CG2 4.13Å; K49-T53 HydrophobicContact CG-CG2 4.26Å; S50-T53 PolarHBondContact O-N 3.27Å; S50-T53 WeakPolarHBondContact OG-CB 3.37Å; S50-T53 PolarHBondContact OG-N 2.92Å; S50-T53 PolarHBondContact OG-OG1 3.09Å; T53-S55 VanDerWaalsContact C-N 3.31Å; T53-S55 PolarHBondContact O-N 2.81Å; T53-V56 PolarHBondContact O-N 2.82Å; T53-E57 HydrophobicContact CG2-CG 4.41Å; T53-E57 WeakPolarHBondContact O-CB 3.41Å; T53-E57 VanDerWaalsContact O-CG 3.28Å; T53-E57 WeakPolarHBondContact O-CG 3.43Å; T53-E57 PolarHBondContact O-N 2.87Å
54C98.8Very high97.3Very high1 Ų135.8 Ų35.81%0.00720%0.198CC..Hα-helixtrans-62.5-37.3177.3-680000113S50 L51 W52 S58 A239 G240 L243S50-C54 PolarHBondContact O-N 3.18Å; S50-C54 PolarHBondContact O-SG 3.19Å; S50-C54 VanDerWaalsContact O-SG 3.39Å; L51-C54 PolarHBondContact O-N 3.37Å; W52-C54 VanDerWaalsContact C-N 3.32Å; W52-C54 PolarHBondContact O-N 3.05Å; C54-S58 WeakPolarHBondContact O-CB 3.3Å; C54-S58 PolarHBondContact O-N 3.03Å; C54-S58 VanDerWaalsContact O-N 3.14Å; C54-S58 PolarHBondContact O-OG 2.76Å; C54-A239 HydrophobicContact CB-CB 4.3Å; C54-G240 PolarHBondContact SG-N 3.11Å; C54-G240 VanDerWaalsContact SG-N 3.4Å; C54-L243 HydrophobicContact CB-CD2 4.31Å
55S98.8Very high97.8Very high0 Ų030.6 Ų30.60%017%0.171CC..Hα-helixtrans-68.7-47.7179.4-55.70000111.2L51 W52 T53 S58 S59 I163L51-S55 WeakPolarHBondContact O-CB 3.44Å; L51-S55 PolarHBondContact O-N 3.5Å; L51-S55 PolarHBondContact O-OG 3.4Å; W52-S55 WeakPolarHBondContact O-CB 3.45Å; W52-S55 PolarHBondContact O-N 2.81Å; T53-S55 VanDerWaalsContact C-N 3.31Å; T53-S55 PolarHBondContact O-N 2.81Å; S55-S58 PolarHBondContact O-N 3.05Å; S55-S59 WeakPolarHBondContact O-CB 3.49Å; S55-S59 PolarHBondContact O-N 3.18Å; S55-S59 PolarHBondContact O-OG 2.78Å; S55-S59 VanDerWaalsContact O-OG 3.11Å; S55-I163 WeakPolarHBondContact OG-CG2 3.48Å
56V98.7Very high98.2Very high17 Ų1727 Ų2710%0.10314%0.141CC..Hα-helixtrans-59.2-51.5175.6172.50000110.7W52 T53 S58 S59 M60 L105W52-V56 HydrophobicContact CD2-CG2 3.84Å; W52-V56 HydrophobicContact CE3-CG2 4.09Å; W52-V56 HydrophobicContact CH2-CG2 3.86Å; W52-V56 HydrophobicContact CZ2-CG2 3.59Å; W52-V56 HydrophobicContact CZ3-CG2 4.11Å; W52-V56 WeakPolarHBondContact O-CG2 3.29Å; W52-V56 PolarHBondContact O-N 3.46Å; T53-V56 PolarHBondContact O-N 2.82Å; V56-S58 VanDerWaalsContact C-N 3.3Å; V56-S58 PolarHBondContact O-N 3.43Å; V56-S59 WeakPolarHBondContact CA-OG 3.37Å; V56-S59 PolarHBondContact O-N 2.84Å; V56-S59 PolarHBondContact O-OG 3.2Å; V56-M60 HydrophobicContact CG1-CG 4.11Å; V56-M60 WeakPolarHBondContact O-CB 3.45Å; V56-M60 WeakPolarHBondContact O-CG 3.26Å; V56-M60 PolarHBondContact O-N 3.34Å; V56-L105 HydrophobicContact CG1-CD1 3.75Å; V56-L105 HydrophobicContact CG1-CD2 4.41Å; V56-L105 HydrophobicContact CG2-CD2 4.24Å
57E98.4Very high98.5Very high85 Ų8526 Ų2640%0.39713%0.131SC..Hα-helixtrans-54.4-46178.7-76.2-180157.600112.4K49 T53 E61K49-E57 VanDerWaalsContact CD-OE2 3.3Å; K49-E57 WeakPolarHBondContact CD-OE2 3.4Å; K49-E57 WeakPolarHBondContact CE-OE1 3.38Å; K49-E57 IonicContact NZ-OE1 2.73Å; K49-E57 PolarHBondContact NZ-OE1 3.18Å; K49-E57 IonicContact NZ-OE2 2.93Å; K49-E57 PolarHBondContact NZ-OE2 2.95Å; T53-E57 HydrophobicContact CG2-CG 4.41Å; T53-E57 WeakPolarHBondContact O-CB 3.41Å; T53-E57 VanDerWaalsContact O-CG 3.28Å; T53-E57 WeakPolarHBondContact O-CG 3.43Å; T53-E57 PolarHBondContact O-N 2.87Å; E57-E61 WeakPolarHBondContact O-CB 3.49Å; E57-E61 PolarHBondContact O-N 2.79Å
58S98.7Very high98.6Very high5 Ų524.2 Ų24.24%0.03512%0.123CC..Hα-helixtrans-68.2-39.6-178.1-54.40000112C54 S55 V56 Y62 A244 L247C54-S58 WeakPolarHBondContact O-CB 3.3Å; C54-S58 PolarHBondContact O-N 3.03Å; C54-S58 VanDerWaalsContact O-N 3.14Å; C54-S58 PolarHBondContact O-OG 2.76Å; S55-S58 PolarHBondContact O-N 3.05Å; V56-S58 VanDerWaalsContact C-N 3.3Å; V56-S58 PolarHBondContact O-N 3.43Å; S58-Y62 PolarHBondContact O-N 3.26Å; S58-Y62 VanDerWaalsContact O-N 3.09Å; S58-A244 WeakPolarHBondContact OG-CA 3.19Å; S58-A244 PolarHBondContact OG-N 2.94Å; S58-L247 VanDerWaalsContact C-CD2 3.46Å; S58-L247 WeakPolarHBondContact O-CD2 3.37Å
59S98.7Very high98.6Very high0 Ų023 Ų230%011%0.113CC..Hα-helixtrans-71.3-35178.2650000113.1S55 V56 Y62 C63 F78S55-S59 WeakPolarHBondContact O-CB 3.49Å; S55-S59 PolarHBondContact O-N 3.18Å; S55-S59 PolarHBondContact O-OG 2.78Å; S55-S59 VanDerWaalsContact O-OG 3.11Å; V56-S59 WeakPolarHBondContact CA-OG 3.37Å; V56-S59 PolarHBondContact O-N 2.84Å; V56-S59 PolarHBondContact O-OG 3.2Å; S59-Y62 WeakPolarHBondContact O-CB 3.41Å; S59-Y62 PolarHBondContact O-N 3.26Å; S59-C63 PolarHBondContact O-N 2.64Å; S59-C63 VanDerWaalsContact O-N 3.07Å; S59-C63 PolarHBondContact O-SG 3.34Å; S59-F78 WeakPolarHBondContact OG-CE2 3.24Å; S59-F78 VanDerWaalsContact OG-CZ 3.32Å; S59-F78 WeakPolarHBondContact OG-CZ 3.01Å
60M98.6Very high98.6Very high17 Ų1721.2 Ų21.28%0.08411%0.106CC..Hα-helixtrans-71.6-38.3176.1-68.1-53.4-71.400111.6V56 Y62 C63 R64 F78 L98 L101 M102 L105V56-M60 HydrophobicContact CG1-CG 4.11Å; V56-M60 WeakPolarHBondContact O-CB 3.45Å; V56-M60 WeakPolarHBondContact O-CG 3.26Å; V56-M60 PolarHBondContact O-N 3.34Å; M60-Y62 VanDerWaalsContact C-N 3.33Å; M60-Y62 PolarHBondContact O-N 3.32Å; M60-C63 PolarHBondContact O-N 3.36Å; M60-R64 PolarHBondContact O-N 2.89Å; M60-F78 HydrophobicContact SD-CD2 4.47Å; M60-F78 HydrophobicContact SD-CE2 4.07Å; M60-L98 HydrophobicContact CE-CB 4.25Å; M60-L98 HydrophobicContact CE-CD2 3.61Å; M60-L101 HydrophobicContact CE-CB 3.73Å; M60-L101 HydrophobicContact CE-CD1 4.36Å; M60-L101 HydrophobicContact SD-CB 4.4Å; M60-M102 HydrophobicContact CE-CG 3.84Å; M60-M102 HydrophobicContact CE-SD 3.82Å; M60-M102 HydrophobicContact CG-SD 3.97Å; M60-L105 HydrophobicContact CE-CD1 4.49Å; M60-L105 HydrophobicContact CG-CD1 4.09Å; M60-L105 HydrophobicContact SD-CD1 3.79Å
61E98.6Very high98.6Very high66 Ų6622 Ų2231%0.30811%0.11SC..Hα-helixtrans-65.9-36.5173.9-174.256.3-156.600112.1E57 C63 R64 I65E57-E61 WeakPolarHBondContact O-CB 3.49Å; E57-E61 PolarHBondContact O-N 2.79Å; E61-C63 PolarHBondContact O-N 3.3Å; E61-R64 PolarHBondContact O-N 3.46Å; E61-R64 IonicContact OE1-CZ 3.03Å; E61-R64 VanDerWaalsContact OE1-CZ 3.26Å; E61-R64 IonicContact OE1-NE 3.93Å; E61-R64 PolarHBondContact OE1-NE 3Å; E61-R64 IonicContact OE1-NH2 2.93Å; E61-R64 PolarHBondContact OE1-NH2 2.99Å; E61-R64 IonicContact OE2-NE 3.11Å; E61-R64 PolarHBondContact OE2-NE 3.43Å; E61-R64 VanDerWaalsContact OE2-NE 3.16Å; E61-I65 HydrophobicContact CG-CD1 4.41Å; E61-I65 WeakPolarHBondContact O-CG1 3.37Å; E61-I65 PolarHBondContact O-N 3.19Å; E61-I65 VanDerWaalsContact O-N 3.1Å
62Y98.8Very high98.5Very high3 Ų327.6 Ų27.61%0.01214%0.135CC..Hα-helixtrans-56.5-49.1169.5-179-71.3000111.3F12 S58 S59 M60 R64 I65 M66 I161 L247 L250 V251 H254 F255F12-Y62 AromaticContact CE2-CD1 3.68Å; F12-Y62 HydrophobicContact CE2-CD1 3.68Å; F12-Y62 HydrophobicContact CE2-CE1 4.04Å; F12-Y62 HydrophobicContact CE2-CG 4.28Å; F12-Y62 AromaticContact CZ-CD1 3.55Å; F12-Y62 HydrophobicContact CZ-CD1 3.55Å; F12-Y62 HydrophobicContact CZ-CD2 4.19Å; F12-Y62 HydrophobicContact CZ-CE1 4.01Å; F12-Y62 AromaticContact CZ-CG 3.69Å; F12-Y62 HydrophobicContact CZ-CG 3.69Å; S58-Y62 PolarHBondContact O-N 3.26Å; S58-Y62 VanDerWaalsContact O-N 3.09Å; S59-Y62 WeakPolarHBondContact O-CB 3.41Å; S59-Y62 PolarHBondContact O-N 3.26Å; M60-Y62 VanDerWaalsContact C-N 3.33Å; M60-Y62 PolarHBondContact O-N 3.32Å; Y62-R64 VanDerWaalsContact C-N 3.35Å; Y62-R64 PolarHBondContact O-N 2.98Å; Y62-I65 PolarHBondContact O-N 2.73Å; Y62-M66 WeakPolarHBondContact O-CB 3.3Å; Y62-M66 PolarHBondContact O-N 3.31Å; Y62-M66 VanDerWaalsContact O-N 3.08Å; Y62-I161 HydrophobicContact CE1-CD1 4.41Å; Y62-I161 HydrophobicContact CE2-CD1 4.08Å; Y62-L247 HydrophobicContact CD2-CB 4.34Å; Y62-L247 WeakPolarHBondContact CD2-O 3.25Å; Y62-L250 HydrophobicContact CE2-CB 4.37Å; Y62-V251 HydrophobicContact CD1-CG2 4.24Å; Y62-V251 HydrophobicContact CD2-CB 3.51Å; Y62-V251 HydrophobicContact CD2-CG2 4.07Å; Y62-V251 HydrophobicContact CE1-CB 4.5Å; Y62-V251 HydrophobicContact CE1-CG2 4.1Å; Y62-V251 HydrophobicContact CE2-CB 3.41Å; Y62-V251 VanDerWaalsContact CE2-CB 3.41Å; Y62-V251 HydrophobicContact CE2-CG2 3.91Å; Y62-V251 HydrophobicContact CG-CB 4.06Å; Y62-V251 HydrophobicContact CG-CG2 4.19Å; Y62-H254 AromaticContact CE2-ND1 3.75Å; Y62-H254 AromaticContact CZ-ND1 3.65Å; Y62-H254 WeakPolarHBondContact OH-CB 3.45Å; Y62-H254 VanDerWaalsContact OH-CG 3.3Å; Y62-H254 PolarHBondContact OH-ND1 3.1Å; Y62-F255 AromaticContact CE1-CE2 3.71Å; Y62-F255 HydrophobicContact CE1-CE2 3.71Å; Y62-F255 HydrophobicContact CE1-CZ 4.45Å; Y62-F255 AromaticContact CZ-CE2 3.69Å; Y62-F255 WeakPolarHBondContact OH-CE2 3.44Å
63C98.8Very high98.4Very high0 Ų031.5 Ų31.50%015%0.152CC..Hα-helixtrans-65.5-37.6-179.7-640000111.9S59 M60 E61 M66 Y67 L98S59-C63 PolarHBondContact O-N 2.64Å; S59-C63 VanDerWaalsContact O-N 3.07Å; S59-C63 PolarHBondContact O-SG 3.34Å; M60-C63 PolarHBondContact O-N 3.36Å; E61-C63 PolarHBondContact O-N 3.3Å; C63-M66 PolarHBondContact O-N 2.94Å; C63-Y67 HydrophobicContact CB-CD2 4.41Å; C63-Y67 HydrophobicContact CB-CE2 4.15Å; C63-Y67 WeakPolarHBondContact O-CB 3.33Å; C63-Y67 VanDerWaalsContact O-CD2 3.3Å; C63-Y67 WeakPolarHBondContact O-CD2 3.49Å; C63-Y67 PolarHBondContact O-N 3.31Å; C63-L98 HydrophobicContact CB-CD2 3.6Å
64R98.7Very high98.3Very high27 Ų2730.6 Ų30.610%0.10214%0.144CC..Hα-helixtrans-59.7-51175.6-170.6-154.564.178.11.2112.4M60 E61 Y62 M66 Y67 D68 L98 S338 P339M60-R64 PolarHBondContact O-N 2.89Å; E61-R64 PolarHBondContact O-N 3.46Å; E61-R64 IonicContact OE1-CZ 3.03Å; E61-R64 VanDerWaalsContact OE1-CZ 3.26Å; E61-R64 IonicContact OE1-NE 3.93Å; E61-R64 PolarHBondContact OE1-NE 3Å; E61-R64 IonicContact OE1-NH2 2.93Å; E61-R64 PolarHBondContact OE1-NH2 2.99Å; E61-R64 IonicContact OE2-NE 3.11Å; E61-R64 PolarHBondContact OE2-NE 3.43Å; E61-R64 VanDerWaalsContact OE2-NE 3.16Å; Y62-R64 VanDerWaalsContact C-N 3.35Å; Y62-R64 PolarHBondContact O-N 2.98Å; R64-M66 VanDerWaalsContact C-N 3.26Å; R64-M66 PolarHBondContact O-N 3.12Å; R64-Y67 PolarHBondContact O-N 2.58Å; R64-D68 IonicContact CZ-OD2 2.74Å; R64-D68 IonicContact NH1-OD2 2.68Å; R64-D68 PolarHBondContact NH1-OD2 3.44Å; R64-D68 PolarHBondContact O-N 3.47Å; R64-D68 VanDerWaalsContact O-N 3.09Å; R64-L98 HydrophobicContact CB-CD1 3.74Å; R64-L98 HydrophobicContact CG-CD1 3.94Å; R64-S338 PolarHBondContact NH1-OG 3.43Å; R64-S338 PolarHBondContact NH2-OG 3.49Å; R64-P339 PolarHBondContact NH2-O 3.41Å
65I98.8Very high98.3Very high1 Ų130.6 Ų30.61%0.00514%0.144CC..Hα-helixtrans-57.8-44.3176.6-66.9164.7000110.4E61 Y62 I69 V251 L257 L284E61-I65 HydrophobicContact CG-CD1 4.41Å; E61-I65 WeakPolarHBondContact O-CG1 3.37Å; E61-I65 PolarHBondContact O-N 3.19Å; E61-I65 VanDerWaalsContact O-N 3.1Å; Y62-I65 PolarHBondContact O-N 2.73Å; I65-I69 HydrophobicContact CG2-CD1 3.92Å; I65-I69 WeakPolarHBondContact O-CG1 3.43Å; I65-I69 PolarHBondContact O-N 2.77Å; I65-V251 HydrophobicContact CB-CG1 4.49Å; I65-V251 HydrophobicContact CB-CG2 4.42Å; I65-V251 HydrophobicContact CD1-CG1 4.12Å; I65-V251 HydrophobicContact CG2-CG1 4.06Å; I65-V251 HydrophobicContact CG2-CG2 4.11Å; I65-L257 HydrophobicContact CG2-CD1 4Å; I65-L284 HydrophobicContact CD1-CD1 4.04Å; I65-L284 HydrophobicContact CG2-CB 4.37Å; I65-L284 HydrophobicContact CG2-CD1 3.74Å
66M98.6Very high98.3Very high0 Ų030.6 Ų30.60%014%0.144CC..Hα-helixtrans-63.4-47.7-179.6-175-1626800112.1Y62 C63 R64 I69 F70 K74 V76 F255Y62-M66 WeakPolarHBondContact O-CB 3.3Å; Y62-M66 PolarHBondContact O-N 3.31Å; Y62-M66 VanDerWaalsContact O-N 3.08Å; C63-M66 PolarHBondContact O-N 2.94Å; R64-M66 VanDerWaalsContact C-N 3.26Å; R64-M66 PolarHBondContact O-N 3.12Å; M66-I69 PolarHBondContact O-N 3.47Å; M66-F70 HydrophobicContact CG-CD2 4.44Å; M66-F70 WeakPolarHBondContact O-CA 3.27Å; M66-F70 PolarHBondContact O-N 2.84Å; M66-K74 HydrophobicContact CG-CB 4.48Å; M66-K74 HydrophobicContact SD-CB 4.34Å; M66-V76 HydrophobicContact CE-CB 4.4Å; M66-V76 HydrophobicContact CE-CG2 3.35Å; M66-V76 HydrophobicContact SD-CG2 3.75Å; M66-F255 HydrophobicContact CB-CE2 4.23Å; M66-F255 HydrophobicContact CG-CD1 4.49Å; M66-F255 HydrophobicContact CG-CD2 4.26Å; M66-F255 HydrophobicContact CG-CE1 3.94Å; M66-F255 HydrophobicContact CG-CE2 3.65Å; M66-F255 HydrophobicContact CG-CZ 3.53Å; M66-F255 HydrophobicContact SD-CE1 3.92Å; M66-F255 HydrophobicContact SD-CE2 3.79Å; M66-F255 HydrophobicContact SD-CZ 3.25Å; M66-F255 WeakPolarHBondContact SD-CZ 3.41Å
67Y98.6Very high98.3Very high27 Ų2730 Ų3011%0.10614%0.14CC..Hα-helixtrans-69.2-35.5-177-70.1-37.4000113.4C63 R64 I69 F70 Q96 L98C63-Y67 HydrophobicContact CB-CD2 4.41Å; C63-Y67 HydrophobicContact CB-CE2 4.15Å; C63-Y67 WeakPolarHBondContact O-CB 3.33Å; C63-Y67 VanDerWaalsContact O-CD2 3.3Å; C63-Y67 WeakPolarHBondContact O-CD2 3.49Å; C63-Y67 PolarHBondContact O-N 3.31Å; R64-Y67 PolarHBondContact O-N 2.58Å; Y67-I69 VanDerWaalsContact C-N 3.3Å; Y67-I69 PolarHBondContact O-N 2.78Å; Y67-F70 CarbonylContact O-C 3.59Å; Y67-Q96 HydrophobicContact CD1-CB 4.46Å; Y67-Q96 HydrophobicContact CE1-CB 3.66Å; Y67-Q96 HydrophobicContact CE1-CG 4.37Å; Y67-Q96 WeakPolarHBondContact OH-CA 3.1Å; Y67-Q96 PolarHBondContact OH-OE1 3.29Å; Y67-Q96 VanDerWaalsContact OH-OE1 3.05Å; Y67-L98 HydrophobicContact CD2-CD1 4.45Å; Y67-L98 HydrophobicContact CD2-CD2 3.84Å; Y67-L98 HydrophobicContact CD2-CG 3.85Å; Y67-L98 HydrophobicContact CE2-CD2 3.78Å; Y67-L98 HydrophobicContact CE2-CG 4.1Å
68D98.5Very high98.3Very high66 Ų6625.9 Ų25.935%0.35312%0.121SC..Hα-helixtrans-60.4-41.7173.9-73.5-11.1000111.6R64 S338R64-D68 IonicContact CZ-OD2 2.74Å; R64-D68 IonicContact NH1-OD2 2.68Å; R64-D68 PolarHBondContact NH1-OD2 3.44Å; R64-D68 PolarHBondContact O-N 3.47Å; R64-D68 VanDerWaalsContact O-N 3.09Å; D68-S338 PolarHBondContact OD2-OG 3.37Å
69I98.7Very high98.4Very high10 Ų1025.7 Ų25.75%0.05112%0.119CC..Hα-helixtrans-83.9-37.5-175.9-59.6170.6000111.2I65 M66 Y67 L257 L284I65-I69 HydrophobicContact CG2-CD1 3.92Å; I65-I69 WeakPolarHBondContact O-CG1 3.43Å; I65-I69 PolarHBondContact O-N 2.77Å; M66-I69 PolarHBondContact O-N 3.47Å; Y67-I69 VanDerWaalsContact C-N 3.3Å; Y67-I69 PolarHBondContact O-N 2.78Å; I69-L257 HydrophobicContact CD1-CD1 3.68Å; I69-L257 HydrophobicContact CD1-CD2 3.77Å; I69-L257 HydrophobicContact CD1-CG 4.34Å; I69-L257 HydrophobicContact CG2-CD2 4.06Å; I69-L284 HydrophobicContact CD1-CB 4.05Å
70F98.2Very high98.4Very high36 Ų3625.7 Ų25.716%0.15812%0.119CC..  trans-127.580-176.7-52.5-78.1000111.1M66 Y67 F72 K74 F255 L257M66-F70 HydrophobicContact CG-CD2 4.44Å; M66-F70 WeakPolarHBondContact O-CA 3.27Å; M66-F70 PolarHBondContact O-N 2.84Å; Y67-F70 CarbonylContact O-C 3.59Å; F70-F72 PolarHBondContact O-N 2.97Å; F70-F72 VanDerWaalsContact O-N 3.12Å; F70-K74 HydrophobicContact CB-CB 3.81Å; F70-K74 HydrophobicContact CB-CG 3.47Å; F70-K74 VanDerWaalsContact CB-CG 3.47Å; F70-K74 HydrophobicContact CD1-CG 4.08Å; F70-K74 HydrophobicContact CD2-CG 4.21Å; F70-K74 HydrophobicContact CG-CB 4.41Å; F70-K74 HydrophobicContact CG-CG 3.67Å; F70-F255 HydrophobicContact CD2-CB 4.45Å; F70-F255 HydrophobicContact CD2-CD1 4.19Å; F70-F255 HydrophobicContact CD2-CG 4.42Å; F70-F255 HydrophobicContact CE2-CB 3.56Å; F70-F255 HydrophobicContact CE2-CD1 4.01Å; F70-F255 AromaticContact CE2-CG 3.97Å; F70-F255 HydrophobicContact CE2-CG 3.97Å; F70-F255 HydrophobicContact CZ-CB 4.07Å; F70-L257 HydrophobicContact CE2-CD2 3.79Å; F70-L257 HydrophobicContact CZ-CD2 4.01Å
71P97.3Very high98.3Very high34 Ų3424.9 Ų24.922%0.22112%0.115CC..SBendtrans-66.7-14.1178.324.7-34.1000113.5Q93P71-Q93 PolarHBondContact O-NE2 2.95Å
72F97.1Very high98.2Very high119 Ų11922.9 Ų22.952%0.52211%0.107SC..SBendtrans-137155.5-178.5-55.4-74.3000111.7F70 K74 Q93F70-F72 PolarHBondContact O-N 2.97Å; F70-F72 VanDerWaalsContact O-N 3.12Å; F72-K74 PolarHBondContact O-N 3.48Å; F72-Q93 HydrophobicContact CD1-CG 3.92Å; F72-Q93 HydrophobicContact CE1-CG 4.33Å
73K96.1Very high98Very high98 Ų9826.4 Ų26.443%0.42613%0.132SC..SBendtrans66.1-2.4169.7-53.1173.5180176.40115.9I3 H8 Y139I3-K73 HydrophobicContact CG2-CD 4.31Å; H8-K73 PolarHBondContact ND1-O 3.4Å; K73-Y139 HydrophobicContact CB-CE2 4.4Å; K73-Y139 HydrophobicContact CG-CD1 4.02Å; K73-Y139 HydrophobicContact CG-CD2 4.34Å; K73-Y139 HydrophobicContact CG-CE1 3.83Å; K73-Y139 HydrophobicContact CG-CE2 4.14Å; K73-Y139 HydrophobicContact CG-CG 4.26Å
74K97.9Very high97.8Very high31 Ų3127.4 Ų27.414%0.13514%0.142CC..  trans-115.3103.7171.3-59.6-57.8-179.5-177.80107.1S7 M66 F70 F72 F255S7-K74 WeakPolarHBondContact O-CD 3.32Å; S7-K74 PolarHBondContact OG-NZ 3.45Å; M66-K74 HydrophobicContact CG-CB 4.48Å; M66-K74 HydrophobicContact SD-CB 4.34Å; F70-K74 HydrophobicContact CB-CB 3.81Å; F70-K74 HydrophobicContact CB-CG 3.47Å; F70-K74 VanDerWaalsContact CB-CG 3.47Å; F70-K74 HydrophobicContact CD1-CG 4.08Å; F70-K74 HydrophobicContact CD2-CG 4.21Å; F70-K74 HydrophobicContact CG-CB 4.41Å; F70-K74 HydrophobicContact CG-CG 3.67Å; F72-K74 PolarHBondContact O-N 3.48Å; K74-F255 HydrophobicContact CB-CE1 4.07Å; K74-F255 HydrophobicContact CD-CD1 4.15Å; K74-F255 HydrophobicContact CD-CE1 3.92Å; K74-F255 HydrophobicContact CG-CD1 4.31Å; K74-F255 HydrophobicContact CG-CE1 4.08Å
75L98.6Very high97.8Very high0 Ų028.1 Ų28.10%015%0.154CC..EExtended strand (participates in β ladder)trans-110.8147.2-167-55.3170.6000110.5H8 T10 W91 Q96 T137 Y139H8-L75 PolarHBondContact O-N 3.12Å; T10-L75 PolarHBondContact N-O 2.73Å; L75-W91 HydrophobicContact CB-CE3 3.59Å; L75-W91 HydrophobicContact CB-CZ3 3.87Å; L75-W91 HydrophobicContact CD1-CE3 4.44Å; L75-W91 WeakPolarHBondContact CD1-O 3.38Å; L75-Q96 HydrophobicContact CD2-CG 3.63Å; L75-T137 HydrophobicContact CD1-CG2 3.57Å; L75-Y139 HydrophobicContact CD1-CD2 4.1Å; L75-Y139 HydrophobicContact CD1-CE2 4.35Å; L75-Y139 HydrophobicContact CD2-CE2 4.21Å
76V98.8Very high97.8Very high0 Ų031.7 Ų31.70%017%0.17CC..EExtended strand (participates in β ladder)trans-122.7137.6178170.90000110.9T10 F12 M66 N89 Q96T10-V76 CarbonylContact O-C 3.59Å; T10-V76 WeakPolarHBondContact O-CA 3.29Å; F12-V76 HydrophobicContact CD2-CG1 4Å; M66-V76 HydrophobicContact CE-CB 4.4Å; M66-V76 HydrophobicContact CE-CG2 3.35Å; M66-V76 HydrophobicContact SD-CG2 3.75Å; V76-N89 PolarHBondContact O-ND2 2.98Å; V76-Q96 PolarHBondContact O-OE1 3.24Å
77N98.6Very high97.8Very high4 Ų434.8 Ų34.82%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-114124162.7-111.8-147.5000108.7T10 V11 F12 N89 S90 W91 T132T10-N77 PolarHBondContact O-N 2.97Å; V11-N77 CarbonylContact C-O 3.52Å; V11-N77 VanDerWaalsContact CA-O 3.29Å; V11-N77 WeakPolarHBondContact CA-O 3.46Å; V11-N77 HydrophobicContact CG1-CB 4.24Å; V11-N77 HydrophobicContact CG2-CB 4.2Å; F12-N77 PolarHBondContact N-O 3.48Å; N77-N89 WeakPolarHBondContact CA-OD1 3.12Å; N77-N89 PolarHBondContact ND2-O 3.31Å; N77-S90 WeakPolarHBondContact ND2-CA 2.97Å; N77-S90 PolarHBondContact ND2-O 2.89Å; N77-W91 HydrophobicContact CB-CE3 4.43Å; N77-W91 HydrophobicContact CB-CH2 3.72Å; N77-W91 HydrophobicContact CB-CZ2 3.89Å; N77-W91 HydrophobicContact CB-CZ3 4Å; N77-T132 WeakPolarHBondContact OD1-CG2 3.42Å
78F98.8Very high97.8Very high0 Ų035.3 Ų35.30%019%0.193CC..EExtended strand (participates in β ladder)trans-103119.2-180-152.4-70.9000109.6F12 V14 S59 M60 V80 L88 N89 L101 L105F12-F78 HydrophobicContact CB-CD2 3.88Å; F12-F78 HydrophobicContact CB-CE2 4Å; F12-F78 HydrophobicContact CB-CG 4.21Å; F12-F78 HydrophobicContact CB-CZ 4.43Å; F12-F78 HydrophobicContact CD2-CD2 4.37Å; F12-F78 HydrophobicContact CD2-CE2 4.48Å; F12-F78 HydrophobicContact CG-CD2 4.31Å; F12-F78 HydrophobicContact CG-CE2 4.2Å; V14-F78 HydrophobicContact CB-CE1 4.34Å; V14-F78 HydrophobicContact CG2-CE1 3.8Å; V14-F78 HydrophobicContact CG2-CZ 3.71Å; S59-F78 WeakPolarHBondContact OG-CE2 3.24Å; S59-F78 VanDerWaalsContact OG-CZ 3.32Å; S59-F78 WeakPolarHBondContact OG-CZ 3.01Å; M60-F78 HydrophobicContact SD-CD2 4.47Å; M60-F78 HydrophobicContact SD-CE2 4.07Å; F78-V80 HydrophobicContact CD1-CG2 4.33Å; F78-V80 HydrophobicContact CE1-CG2 4.27Å; F78-L88 HydrophobicContact CB-CB 4.42Å; F78-L88 HydrophobicContact CD1-CD1 3.85Å; F78-L88 HydrophobicContact CD1-CG 4.49Å; F78-L88 HydrophobicContact CG-CD1 4.47Å; F78-L88 WeakPolarHBondContact O-CB 3.22Å; F78-L88 PolarHBondContact O-N 3.02Å; F78-N89 PolarHBondContact N-OD1 3.27Å; F78-L101 HydrophobicContact CB-CD2 3.72Å; F78-L101 HydrophobicContact CG-CD2 4.41Å; F78-L105 HydrophobicContact CD1-CD2 4.37Å; F78-L105 HydrophobicContact CE1-CD2 3.84Å; F78-L105 HydrophobicContact CZ-CD2 4.37Å
79I98.9Very high97.8Very high0 Ų032.9 Ų32.90%018%0.18CC..EExtended strand (participates in β ladder)trans-119.8130.1-177.1-51.9-175.7000109.1V11 F12 V13 V14 A85 H86 V87 A128 A129V11-I79 HydrophobicContact CG1-CD1 3.53Å; V11-I79 HydrophobicContact CG1-CG1 3.89Å; F12-I79 WeakPolarHBondContact O-CA 3.31Å; F12-I79 WeakPolarHBondContact O-CB 3.36Å; F12-I79 PolarHBondContact O-N 3.1Å; V13-I79 CarbonylContact C-O 3.57Å; V13-I79 WeakPolarHBondContact CA-O 3.45Å; V13-I79 HydrophobicContact CG2-CB 4.48Å; V14-I79 PolarHBondContact N-O 3.38Å; I79-A85 HydrophobicContact CG2-CB 4.29Å; I79-H86 WeakPolarHBondContact CA-O 3.46Å; I79-V87 HydrophobicContact CD1-CG2 4.12Å; I79-V87 HydrophobicContact CG1-CG1 4.49Å; I79-V87 HydrophobicContact CG1-CG2 4.11Å; I79-A128 HydrophobicContact CD1-CB 4.01Å; I79-A128 HydrophobicContact CG2-CB 4.4Å; I79-A129 HydrophobicContact CD1-CB 4.11Å
80V98.6Very high97.7Very high0 Ų034.5 Ų34.50%019%0.193CC..EExtended strand (participates in β ladder)trans-105.2136.2170.9-177.20000108.9V14 H16 W52 F78 H86 L88 L105 V108V14-V80 WeakPolarHBondContact O-CA 3.45Å; H16-V80 HydrophobicContact CB-CG1 3.38Å; W52-V80 HydrophobicContact CH2-CB 4.43Å; W52-V80 HydrophobicContact CH2-CG1 3.68Å; W52-V80 HydrophobicContact CH2-CG2 3.81Å; W52-V80 HydrophobicContact CZ3-CG1 3.9Å; W52-V80 HydrophobicContact CZ3-CG2 4.47Å; F78-V80 HydrophobicContact CD1-CG2 4.33Å; F78-V80 HydrophobicContact CE1-CG2 4.27Å; V80-H86 HydrophobicContact CB-CB 4.4Å; V80-H86 PolarHBondContact N-O 3.31Å; V80-H86 PolarHBondContact O-N 3Å; V80-L88 HydrophobicContact CG2-CD1 3.9Å; V80-L88 HydrophobicContact CG2-CD2 4.4Å; V80-L88 HydrophobicContact CG2-CG 4.29Å; V80-L105 HydrophobicContact CG2-CD2 4.17Å; V80-V108 HydrophobicContact CG1-CG1 4.2Å
81S98.3Very high97.8Very high0 Ų033.4 Ų33.40%019%0.187CC..EExtended strand (participates in β ladder)trans-123.1120.4-174.7-162.20000112.1V14 H16 G84 S121 I122 G125V14-S81 PolarHBondContact O-N 3.46Å; H16-S81 PolarHBondContact N-O 2.9Å; S81-G84 WeakPolarHBondContact CA-O 3.32Å; S81-S121 PolarHBondContact OG-O 3.23Å; S81-I122 WeakPolarHBondContact OG-CA 3.44Å; S81-I122 PolarHBondContact OG-O 3.39Å; S81-G125 PolarHBondContact OG-N 3.24Å
82D95.5Very high97.8Very high24 Ų2433.7 Ų33.713%0.12819%0.189CC..SBendtrans-134-124.1174.457.131.3000110.3H16 G84 H86 C120 S121 H124H16-D82 HydrophobicContact CB-CB 4.2Å; H16-D82 IonicContact ND1-OD2 3.12Å; D82-G84 PolarHBondContact N-O 3.12Å; D82-G84 PolarHBondContact O-N 3.29Å; D82-G84 PolarHBondContact OD1-N 2.69Å; D82-H86 VanDerWaalsContact CG-NE2 3.3Å; D82-H86 IonicContact OD1-CD2 3.9Å; D82-H86 IonicContact OD1-CE1 3.75Å; D82-H86 IonicContact OD1-NE2 2.75Å; D82-H86 PolarHBondContact OD1-NE2 3.36Å; D82-H86 IonicContact OD2-CD2 2.88Å; D82-H86 IonicContact OD2-NE2 3.18Å; D82-H86 PolarHBondContact OD2-NE2 3.48Å; D82-C120 WeakPolarHBondContact O-CA 3.35Å; D82-S121 PolarHBondContact O-N 3.12Å; D82-H124 PolarHBondContact O-ND1 3.02Å
83S94.4Very high97.8Very high78 Ų7829.8 Ų29.855%0.54517%0.172SC..SBendtrans-55.8-18.9161.462.30000114.9C119 H124S83-C119 WeakPolarHBondContact CA-O 3.49Å; S83-H124 PolarHBondContact O-CE1 3.26Å
84G95.9Very high97.9Very high21 Ų2132.9 Ų32.922%0.21619%0.188CC..SBendtrans-153.7-172.1173.700000111.7S81 D82S81-G84 WeakPolarHBondContact CA-O 3.32Å; D82-G84 PolarHBondContact N-O 3.12Å; D82-G84 PolarHBondContact O-N 3.29Å; D82-G84 PolarHBondContact OD1-N 2.69Å
85A97.9Very high97.8Very high41 Ų4133.4 Ų33.434%0.33919%0.192SC..EExtended strand (participates in β ladder)trans-104.1129.1175.400000110.8I79 H124 A128I79-A85 HydrophobicContact CG2-CB 4.29Å; A85-H124 HydrophobicContact CB-CB 4.17Å; A85-H124 WeakPolarHBondContact CB-O 3.32Å; A85-A128 HydrophobicContact CB-CB 3.55Å
86H98.1Very high97.8Very high76 Ų7634.2 Ų34.235%0.35220%0.196SC..EExtended strand (participates in β ladder)trans-116.2103.1178.1-51.4-80000109.2I79 V80 D82 L88I79-H86 WeakPolarHBondContact CA-O 3.46Å; V80-H86 HydrophobicContact CB-CB 4.4Å; V80-H86 PolarHBondContact N-O 3.31Å; V80-H86 PolarHBondContact O-N 3Å; D82-H86 VanDerWaalsContact CG-NE2 3.3Å; D82-H86 IonicContact OD1-CD2 3.9Å; D82-H86 IonicContact OD1-CE1 3.75Å; D82-H86 IonicContact OD1-NE2 2.75Å; D82-H86 PolarHBondContact OD1-NE2 3.36Å; D82-H86 IonicContact OD2-CD2 2.88Å; D82-H86 IonicContact OD2-NE2 3.18Å; D82-H86 PolarHBondContact OD2-NE2 3.48Å; H86-L88 HydrophobicContact CB-CD2 4.31Å
87V98.5Very high97.8Very high65 Ų6536.9 Ų36.939%0.39421%0.21SC..EExtended strand (participates in β ladder)trans-83.6115.4175.6-175.20000108.4I79 N89 T132I79-V87 HydrophobicContact CD1-CG2 4.12Å; I79-V87 HydrophobicContact CG1-CG1 4.49Å; I79-V87 HydrophobicContact CG1-CG2 4.11Å; V87-N89 VanDerWaalsContact CG1-O 3.29Å; V87-N89 WeakPolarHBondContact CG1-O 3.26Å; V87-T132 HydrophobicContact CG2-CG2 4.39Å
88L98.5Very high97.8Very high38 Ų3838.9 Ų38.920%0.19922%0.221CC..  trans-85.7-21.5-170-54.7-170.9000113.9F78 V80 H86 L101 A104 L105 V108F78-L88 HydrophobicContact CB-CB 4.42Å; F78-L88 HydrophobicContact CD1-CD1 3.85Å; F78-L88 HydrophobicContact CD1-CG 4.49Å; F78-L88 HydrophobicContact CG-CD1 4.47Å; F78-L88 WeakPolarHBondContact O-CB 3.22Å; F78-L88 PolarHBondContact O-N 3.02Å; V80-L88 HydrophobicContact CG2-CD1 3.9Å; V80-L88 HydrophobicContact CG2-CD2 4.4Å; V80-L88 HydrophobicContact CG2-CG 4.29Å; H86-L88 HydrophobicContact CB-CD2 4.31Å; L88-L101 HydrophobicContact CB-CD2 4.13Å; L88-A104 HydrophobicContact CB-CB 4.03Å; L88-A104 HydrophobicContact CD1-CB 4.12Å; L88-A104 HydrophobicContact CD2-CB 4.32Å; L88-A104 HydrophobicContact CG-CB 4.39Å; L88-L105 HydrophobicContact CD1-CD2 3.76Å; L88-L105 HydrophobicContact CD1-CG 3.84Å; L88-V108 HydrophobicContact CD2-CG2 4.13Å
89N98.5Very high97.7Very high15 Ų1545.7 Ų45.78%0.0825%0.253CS..  trans-153.7164.8-177.576.7-47.4000111V76 N77 F78 V87 D95 L101V76-N89 PolarHBondContact O-ND2 2.98Å; N77-N89 WeakPolarHBondContact CA-OD1 3.12Å; N77-N89 PolarHBondContact ND2-O 3.31Å; F78-N89 PolarHBondContact N-OD1 3.27Å; V87-N89 VanDerWaalsContact CG1-O 3.29Å; V87-N89 WeakPolarHBondContact CG1-O 3.26Å; N89-D95 HydrophobicContact CB-CB 4.2Å; N89-D95 PolarHBondContact ND2-O 3.03Å; N89-D95 VanDerWaalsContact ND2-O 3.09Å; N89-L101 HydrophobicContact CB-CD2 3.93Å
90S98.2Very high97.7Very high44 Ų4450.3 Ų50.331%0.30827%0.274SS..  trans-104.9-171.7-179.184.20000113.5N77 T92 D95 Q96N77-S90 WeakPolarHBondContact ND2-CA 2.97Å; N77-S90 PolarHBondContact ND2-O 2.89Å; S90-T92 VanDerWaalsContact C-N 3.34Å; S90-T92 PolarHBondContact OG-N 3.29Å; S90-T92 PolarHBondContact OG-OG1 3.05Å; S90-D95 WeakPolarHBondContact CA-OD2 3.18Å; S90-D95 WeakPolarHBondContact CB-OD2 3.39Å; S90-D95 PolarHBondContact N-OD2 3.42Å; S90-D95 PolarHBondContact OG-OD2 3.2Å; S90-Q96 PolarHBondContact O-NE2 3.18Å
91W98.5Very high97.7Very high13 Ų1350.4 Ų50.45%0.04928%0.275CS..SBendtrans-87.12178.1-68.8130.2000113.9K9 V11 L75 N77 T132 L133 T137K9-W91 HydrophobicContact CB-CH2 3.64Å; K9-W91 HydrophobicContact CB-CZ2 4.06Å; K9-W91 HydrophobicContact CB-CZ3 4.08Å; K9-W91 HydrophobicContact CD-CZ2 4.15Å; K9-W91 HydrophobicContact CG-CH2 4.02Å; K9-W91 HydrophobicContact CG-CZ2 4.14Å; K9-W91 HydrophobicContact CG-CZ3 4.22Å; V11-W91 HydrophobicContact CG2-CH2 3.68Å; V11-W91 HydrophobicContact CG2-CZ2 3.77Å; L75-W91 HydrophobicContact CB-CE3 3.59Å; L75-W91 HydrophobicContact CB-CZ3 3.87Å; L75-W91 HydrophobicContact CD1-CE3 4.44Å; L75-W91 WeakPolarHBondContact CD1-O 3.38Å; N77-W91 HydrophobicContact CB-CE3 4.43Å; N77-W91 HydrophobicContact CB-CH2 3.72Å; N77-W91 HydrophobicContact CB-CZ2 3.89Å; N77-W91 HydrophobicContact CB-CZ3 4Å; W91-T132 PolarHBondContact NE1-O 3.28Å; W91-L133 HydrophobicContact CZ2-CD2 4.34Å; W91-T137 HydrophobicContact CB-CG2 3.83Å; W91-T137 HydrophobicContact CD2-CG2 4.2Å; W91-T137 HydrophobicContact CG-CG2 3.89Å
92T97.9Very high97.7Very high40 Ų4055 Ų5525%0.24530%0.297CS..SBendtrans-67.2150.1174.360.30000110S90 E94 D95 Q96 E138S90-T92 VanDerWaalsContact C-N 3.34Å; S90-T92 PolarHBondContact OG-N 3.29Å; S90-T92 PolarHBondContact OG-OG1 3.05Å; T92-E94 PolarHBondContact O-N 3.47Å; T92-D95 PolarHBondContact O-N 2.91Å; T92-D95 VanDerWaalsContact OG1-CB 3.29Å; T92-D95 WeakPolarHBondContact OG1-CB 3.29Å; T92-D95 PolarHBondContact OG1-N 3.49Å; T92-D95 PolarHBondContact OG1-OD1 3.4Å; T92-D95 PolarHBondContact OG1-OD2 3.49Å; T92-Q96 WeakPolarHBondContact O-CG 3.37Å; T92-Q96 PolarHBondContact O-NE2 3.17Å; T92-E138 WeakPolarHBondContact CG2-OE1 3.35Å
93Q97.4Very high97.8Very high37 Ų3756.5 Ų56.517%0.17331%0.313CS..SBendtrans-67.6-27178-172.457.669.100112.6P71 F72 Q96 E138 Y139P71-Q93 PolarHBondContact O-NE2 2.95Å; F72-Q93 HydrophobicContact CD1-CG 3.92Å; F72-Q93 HydrophobicContact CE1-CG 4.33Å; Q93-Q96 WeakPolarHBondContact O-CB 3.23Å; Q93-Q96 PolarHBondContact O-N 2.74Å; Q93-E138 PolarHBondContact N-OE2 2.89Å; Q93-Y139 PolarHBondContact OE1-OH 3.25Å
94E97.3Very high98Very high163 Ų16354 Ų5476%0.76230%0.297SS*.THydrogen-bonded Turntrans-64.2-41176-172172.4-177.300111.8T92 Q96T92-E94 PolarHBondContact O-N 3.47Å; E94-Q96 PolarHBondContact O-N 3.45Å; E94-Q96 VanDerWaalsContact O-N 3.09Å
95D97.5Very high98.1Very high43 Ų4353.5 Ų53.523%0.2329%0.29CS..THydrogen-bonded Turntrans-72.4-0.3179.8-74.222.8000113.8N89 S90 T92 N97N89-D95 HydrophobicContact CB-CB 4.2Å; N89-D95 PolarHBondContact ND2-O 3.03Å; N89-D95 VanDerWaalsContact ND2-O 3.09Å; S90-D95 WeakPolarHBondContact CA-OD2 3.18Å; S90-D95 WeakPolarHBondContact CB-OD2 3.39Å; S90-D95 PolarHBondContact N-OD2 3.42Å; S90-D95 PolarHBondContact OG-OD2 3.2Å; T92-D95 PolarHBondContact O-N 2.91Å; T92-D95 VanDerWaalsContact OG1-CB 3.29Å; T92-D95 WeakPolarHBondContact OG1-CB 3.29Å; T92-D95 PolarHBondContact OG1-N 3.49Å; T92-D95 PolarHBondContact OG1-OD1 3.4Å; T92-D95 PolarHBondContact OG1-OD2 3.49Å; D95-N97 PolarHBondContact O-N 3.39Å
96Q98.3Very high98.1Very high17 Ų1755.2 Ų55.28%0.07930%0.303CS..  trans-8556.2178.9-53.4-49.2-65.200111Y67 L75 V76 S90 T92 Q93 E94Y67-Q96 HydrophobicContact CD1-CB 4.46Å; Y67-Q96 HydrophobicContact CE1-CB 3.66Å; Y67-Q96 HydrophobicContact CE1-CG 4.37Å; Y67-Q96 WeakPolarHBondContact OH-CA 3.1Å; Y67-Q96 PolarHBondContact OH-OE1 3.29Å; Y67-Q96 VanDerWaalsContact OH-OE1 3.05Å; L75-Q96 HydrophobicContact CD2-CG 3.63Å; V76-Q96 PolarHBondContact O-OE1 3.24Å; S90-Q96 PolarHBondContact O-NE2 3.18Å; T92-Q96 WeakPolarHBondContact O-CG 3.37Å; T92-Q96 PolarHBondContact O-NE2 3.17Å; Q93-Q96 WeakPolarHBondContact O-CB 3.23Å; Q93-Q96 PolarHBondContact O-N 2.74Å; E94-Q96 PolarHBondContact O-N 3.45Å; E94-Q96 VanDerWaalsContact O-N 3.09Å
97N98.1Very high98.1Very high55 Ų5555.8 Ų55.829%0.29432%0.322SS..  trans-127117.1-167.9-171.8-20000111.8D95 Q99 E100 L101D95-N97 PolarHBondContact O-N 3.39Å; N97-Q99 VanDerWaalsContact C-N 3.29Å; N97-Q99 PolarHBondContact O-N 3.28Å; N97-Q99 WeakPolarHBondContact OD1-CB 2.99Å; N97-Q99 PolarHBondContact OD1-N 3.05Å; N97-E100 HydrophobicContact CB-CB 4.21Å; N97-E100 HydrophobicContact CB-CG 4.25Å; N97-E100 PolarHBondContact ND2-OE1 2.84Å; N97-E100 PolarHBondContact O-N 2.89Å; N97-L101 WeakPolarHBondContact O-CG 3.26Å; N97-L101 PolarHBondContact O-N 3.18Å
98L98.1Very high98Very high46 Ų4654.9 Ų54.924%0.24132%0.316CS..Hα-helixtrans-64.2-33.4179.3-64.4176.3000112.9M60 C63 R64 Y67 L101 M102M60-L98 HydrophobicContact CE-CB 4.25Å; M60-L98 HydrophobicContact CE-CD2 3.61Å; C63-L98 HydrophobicContact CB-CD2 3.6Å; R64-L98 HydrophobicContact CB-CD1 3.74Å; R64-L98 HydrophobicContact CG-CD1 3.94Å; Y67-L98 HydrophobicContact CD2-CD1 4.45Å; Y67-L98 HydrophobicContact CD2-CD2 3.84Å; Y67-L98 HydrophobicContact CD2-CG 3.85Å; Y67-L98 HydrophobicContact CE2-CD2 3.78Å; Y67-L98 HydrophobicContact CE2-CG 4.1Å; L98-L101 PolarHBondContact O-N 2.89Å; L98-M102 WeakPolarHBondContact O-CB 3.3Å; L98-M102 VanDerWaalsContact O-CG 3.23Å; L98-M102 WeakPolarHBondContact O-CG 3.34Å; L98-M102 PolarHBondContact O-N 3.38Å
99Q98.2Very high98Very high143 Ų14354 Ų5467%0.66832%0.316SS*.Hα-helixtrans-66-43.1-178.3179.659.433.100110.9N97 M102 A103N97-Q99 VanDerWaalsContact C-N 3.29Å; N97-Q99 PolarHBondContact O-N 3.28Å; N97-Q99 WeakPolarHBondContact OD1-CB 2.99Å; N97-Q99 PolarHBondContact OD1-N 3.05Å; Q99-M102 PolarHBondContact O-N 3.38Å; Q99-A103 PolarHBondContact O-N 3.27Å
100E98.2Very high97.9Very high97 Ų9758 Ų5845%0.45334%0.343SS..Hα-helixtrans-69.5-41.9177.2-70.2167.6-160.100111.3N97 M102 A103 A104N97-E100 HydrophobicContact CB-CB 4.21Å; N97-E100 HydrophobicContact CB-CG 4.25Å; N97-E100 PolarHBondContact ND2-OE1 2.84Å; N97-E100 PolarHBondContact O-N 2.89Å; E100-M102 VanDerWaalsContact C-N 3.34Å; E100-M102 PolarHBondContact O-N 3.41Å; E100-A103 WeakPolarHBondContact O-CB 3.44Å; E100-A103 PolarHBondContact O-N 3.09Å; E100-A103 VanDerWaalsContact O-N 3.16Å; E100-A104 WeakPolarHBondContact O-CB 3.43Å; E100-A104 PolarHBondContact O-N 3.41Å
101L98.3Very high97.8Very high2 Ų256.1 Ų56.11%0.0133%0.329CS..Hα-helixtrans-59.2-43.7173.1-77.1174.8000112.2M60 F78 L88 N89 N97 L98 A103 A104 L105M60-L101 HydrophobicContact CE-CB 3.73Å; M60-L101 HydrophobicContact CE-CD1 4.36Å; M60-L101 HydrophobicContact SD-CB 4.4Å; F78-L101 HydrophobicContact CB-CD2 3.72Å; F78-L101 HydrophobicContact CG-CD2 4.41Å; L88-L101 HydrophobicContact CB-CD2 4.13Å; N89-L101 HydrophobicContact CB-CD2 3.93Å; N97-L101 WeakPolarHBondContact O-CG 3.26Å; N97-L101 PolarHBondContact O-N 3.18Å; L98-L101 PolarHBondContact O-N 2.89Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.29Å; L101-A104 PolarHBondContact O-N 3.47Å; L101-L105 WeakPolarHBondContact O-CB 3.38Å; L101-L105 WeakPolarHBondContact O-CD1 3.42Å; L101-L105 VanDerWaalsContact O-CG 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.35Å; L101-L105 PolarHBondContact O-N 3.08Å
102M98.3Very high97.6Very high96 Ų9659.9 Ų59.947%0.47335%0.351SS..Hα-helixtrans-62.9-38.9175.5-74.6-60.3-66.900111.9M60 L98 Q99 E100 L105 A106M60-M102 HydrophobicContact CE-CG 3.84Å; M60-M102 HydrophobicContact CE-SD 3.82Å; M60-M102 HydrophobicContact CG-SD 3.97Å; L98-M102 WeakPolarHBondContact O-CB 3.3Å; L98-M102 VanDerWaalsContact O-CG 3.23Å; L98-M102 WeakPolarHBondContact O-CG 3.34Å; L98-M102 PolarHBondContact O-N 3.38Å; Q99-M102 PolarHBondContact O-N 3.38Å; E100-M102 VanDerWaalsContact C-N 3.34Å; E100-M102 PolarHBondContact O-N 3.41Å; M102-L105 HydrophobicContact SD-CD1 4.47Å; M102-A106 WeakPolarHBondContact O-CB 2.94Å; M102-A106 PolarHBondContact O-N 3.44Å
103A98.4Very high97.4Very high56 Ų5662.6 Ų62.646%0.46337%0.369SS..Hα-helixtrans-65.4-42.2175.100000111.9Q99 E100 L101 A106 A107Q99-A103 PolarHBondContact O-N 3.27Å; E100-A103 WeakPolarHBondContact O-CB 3.44Å; E100-A103 PolarHBondContact O-N 3.09Å; E100-A103 VanDerWaalsContact O-N 3.16Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.29Å; A103-A106 PolarHBondContact O-N 3.11Å; A103-A107 PolarHBondContact O-N 3.46Å
104A98.4Very high97.1Very high25 Ų2572 Ų7221%0.20740%0.403CS..Hα-helixtrans-64.4-44.4176.200000111.9L88 E100 L101 A106 A107 V108L88-A104 HydrophobicContact CB-CB 4.03Å; L88-A104 HydrophobicContact CD1-CB 4.12Å; L88-A104 HydrophobicContact CD2-CB 4.32Å; L88-A104 HydrophobicContact CG-CB 4.39Å; E100-A104 WeakPolarHBondContact O-CB 3.43Å; E100-A104 PolarHBondContact O-N 3.41Å; L101-A104 PolarHBondContact O-N 3.47Å; A104-A106 VanDerWaalsContact C-N 3.32Å; A104-A106 PolarHBondContact O-N 2.98Å; A104-A107 WeakPolarHBondContact O-CB 3.29Å; A104-A107 PolarHBondContact O-N 2.88Å; A104-A107 VanDerWaalsContact O-N 3.14Å; A104-V108 WeakPolarHBondContact O-CG2 3.24Å; A104-V108 PolarHBondContact O-N 3.03Å
105L98.3Very high96.7Very high12 Ų1266.1 Ų66.16%0.06338%0.382CS..Hα-helixtrans-62.3-38.5174.8-74.3163.5000112.2W52 V56 M60 F78 V80 L88 L101 M102 A107 V108 G109W52-L105 HydrophobicContact CH2-CD2 4.09Å; W52-L105 HydrophobicContact CZ2-CD2 4.07Å; V56-L105 HydrophobicContact CG1-CD1 3.75Å; V56-L105 HydrophobicContact CG1-CD2 4.41Å; V56-L105 HydrophobicContact CG2-CD2 4.24Å; M60-L105 HydrophobicContact CE-CD1 4.49Å; M60-L105 HydrophobicContact CG-CD1 4.09Å; M60-L105 HydrophobicContact SD-CD1 3.79Å; F78-L105 HydrophobicContact CD1-CD2 4.37Å; F78-L105 HydrophobicContact CE1-CD2 3.84Å; F78-L105 HydrophobicContact CZ-CD2 4.37Å; V80-L105 HydrophobicContact CG2-CD2 4.17Å; L88-L105 HydrophobicContact CD1-CD2 3.76Å; L88-L105 HydrophobicContact CD1-CG 3.84Å; L101-L105 WeakPolarHBondContact O-CB 3.38Å; L101-L105 WeakPolarHBondContact O-CD1 3.42Å; L101-L105 VanDerWaalsContact O-CG 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.35Å; L101-L105 PolarHBondContact O-N 3.08Å; M102-L105 HydrophobicContact SD-CD1 4.47Å; L105-A107 VanDerWaalsContact C-N 3.33Å; L105-V108 PolarHBondContact O-N 3.06Å; L105-G109 PolarHBondContact O-N 3.17Å
106A97.9Very high96.2Very high76 Ų7669 Ų6963%0.62840%0.397SS*.Hα-helixtrans-66.3-35.1174.300000112.3M102 A103 A104 G109M102-A106 WeakPolarHBondContact O-CB 2.94Å; M102-A106 PolarHBondContact O-N 3.44Å; A103-A106 PolarHBondContact O-N 3.11Å; A104-A106 VanDerWaalsContact C-N 3.32Å; A104-A106 PolarHBondContact O-N 2.98Å; A106-G109 PolarHBondContact O-N 3.32Å
107A97.9Very high95.5Very high89 Ų8971.9 Ų71.974%0.73642%0.418SS*.Hα-helixtrans-68.5-36.4176.300000112.6A103 A104 L105A103-A107 PolarHBondContact O-N 3.46Å; A104-A107 WeakPolarHBondContact O-CB 3.29Å; A104-A107 PolarHBondContact O-N 2.88Å; A104-A107 VanDerWaalsContact O-N 3.14Å; L105-A107 VanDerWaalsContact C-N 3.33Å
108V96.7Very high94.7Very high45 Ų4577.5 Ų77.527%0.27344%0.442SS..Hα-helixtrans-67.5-37.7171.6175.40000111.2V80 L88 A104 L105V80-V108 HydrophobicContact CG1-CG1 4.2Å; L88-V108 HydrophobicContact CD2-CG2 4.13Å; A104-V108 WeakPolarHBondContact O-CG2 3.24Å; A104-V108 PolarHBondContact O-N 3.03Å; L105-V108 PolarHBondContact O-N 3.06Å
109G96.9Very high93.7Very high19 Ų1979.6 Ų79.620%0.19646%0.46CS..  trans76-171.4177.200000113.7H16 L105 A106H16-G109 PolarHBondContact NE2-O 3.37Å; L105-G109 PolarHBondContact O-N 3.17Å; A106-G109 PolarHBondContact O-N 3.32Å
110P97.1Very high93.3Very high100 Ų10074 Ų7465%0.64944%0.436SS*.SBendtrans-78.7153.3176.632.1-34.1000112.2H16 N112H16-P110 VanDerWaalsContact NE2-C 3.32Å; P110-N112 PolarHBondContact O-N 3.22Å
111P96.9Very high93Very high4 Ų470.9 Ų70.93%0.02643%0.425CS..  trans-58.2139171.4-20.529000111H16 C17 M20 A21 W52 P113H16-P111 WeakPolarHBondContact O-CB 3.4Å; C17-P111 WeakPolarHBondContact O-CB 3.44Å; M20-P111 HydrophobicContact CB-CG 3.94Å; A21-P111 HydrophobicContact CB-CB 4.19Å; W52-P111 HydrophobicContact CB-CG 3.69Å; W52-P111 VanDerWaalsContact CD1-CD 3.44Å; W52-P111 HydrophobicContact CD2-CG 4.14Å; W52-P111 VanDerWaalsContact CG-CD 3.41Å; W52-P111 HydrophobicContact CG-CG 3.77Å; P111-P113 WeakPolarHBondContact O-CD 3.44Å
112N94.4Very high93Very high92 Ų9270.9 Ų70.949%0.49243%0.425SS..  trans-85.5114177.9-179.3-3.4000110.2P18 P110 R114 A115P18-N112 WeakPolarHBondContact CB-O 3.45Å; P110-N112 PolarHBondContact O-N 3.22Å; N112-R114 PolarHBondContact O-N 3.09Å; N112-R114 PolarHBondContact OD1-N 3.43Å; N112-A115 HydrophobicContact CB-CB 3.9Å; N112-A115 PolarHBondContact O-N 3.06Å; N112-A115 VanDerWaalsContact O-N 3.12Å
113P92.8Very high93Very high98 Ų9868.5 Ų68.564%0.63641%0.414SS*.THydrogen-bonded Turntrans-63.3-16.6-178.6-1626.7000114.2A21 P111A21-P113 HydrophobicContact CB-CB 4.31Å; A21-P113 HydrophobicContact CB-CG 3.69Å; P111-P113 WeakPolarHBondContact O-CD 3.44Å
114R91.1Very high92.9Very high234 Ų23469.3 Ų69.388%0.88341%0.408SS*.THydrogen-bonded Turntrans-104.51.7-177.8-58.9-178.5-177.41701.2113.2N112N112-R114 PolarHBondContact O-N 3.09Å; N112-R114 PolarHBondContact OD1-N 3.43Å
115A88.9Confident92.9Very high39 Ų3968.1 Ų68.132%0.32240%0.398SS..SBendtrans-73.3155177.100000111.1P18 N112 P117P18-A115 HydrophobicContact CG-CB 4.05Å; P18-A115 WeakPolarHBondContact CG-O 3.31Å; N112-A115 HydrophobicContact CB-CB 3.9Å; N112-A115 PolarHBondContact O-N 3.06Å; N112-A115 VanDerWaalsContact O-N 3.12Å; A115-P117 WeakPolarHBondContact O-CD 3.34Å
116D86.5Confident93Very high103 Ų10367.7 Ų67.755%0.55140%0.396SS*.  trans-67.6119.9178.7-175.60.1000110.7E118 C120D116-E118 PolarHBondContact OD1-N 2.95Å; D116-C120 PolarHBondContact O-SG 3.36Å; D116-C120 VanDerWaalsContact O-SG 3.38Å
117P84.8Confident93Very high78 Ų7866.4 Ų66.451%0.50638%0.38SS..  trans-80.2-11.3-18033.8-36.1000113.7A115 C119 C120A115-P117 WeakPolarHBondContact O-CD 3.34Å; P117-C119 VanDerWaalsContact C-N 3.28Å; P117-C119 PolarHBondContact O-N 3.11Å; P117-C120 PolarHBondContact O-N 3.37Å; P117-C120 VanDerWaalsContact O-N 3.08Å
118E80.5Confident93Very high174 Ų17462.6 Ų62.681%0.81335%0.349SS*.THydrogen-bonded Turntrans-61.5-33-169.4-81.9-164.4156.700114.1D116D116-E118 PolarHBondContact OD1-N 2.95Å
119C77.3Confident93.1Very high89 Ų8960.4 Ų60.460%0.60134%0.336SS*.THydrogen-bonded Turntrans-99.8-2178.1-63.40000113.2S83 P117 H124S83-C119 WeakPolarHBondContact CA-O 3.49Å; P117-C119 VanDerWaalsContact C-N 3.28Å; P117-C119 PolarHBondContact O-N 3.11Å; C119-H124 PolarHBondContact O-CE1 3.41Å
120C89.3Confident93.2Very high27 Ų2759.5 Ų59.518%0.18233%0.326CS..  trans-90.8120.2-174-670000110.6C17 D82 D116 P117C17-C120 HydrophobicContact CB-CB 4.06Å; C17-C120 WeakPolarHBondContact SG-CB 3.31Å; D82-C120 WeakPolarHBondContact O-CA 3.35Å; D116-C120 PolarHBondContact O-SG 3.36Å; D116-C120 VanDerWaalsContact O-SG 3.38Å; P117-C120 PolarHBondContact O-N 3.37Å; P117-C120 VanDerWaalsContact O-N 3.08Å
121S93.5Very high93.3Very high31 Ų3158.6 Ų58.622%0.21731%0.313CS..  trans-150.4145.8-179.5-177.30000112.5S81 D82 L123 H124S81-S121 PolarHBondContact OG-O 3.23Å; D82-S121 PolarHBondContact O-N 3.12Å; S121-L123 PolarHBondContact O-N 2.98Å; S121-L123 WeakPolarHBondContact OG-CB 3.45Å; S121-L123 PolarHBondContact OG-N 3.15Å; S121-H124 PolarHBondContact O-ND1 3.07Å
122I97.4Very high93.4Very high1 Ų158.5 Ų58.51%0.00531%0.312CS..THydrogen-bonded Turntrans-65.9-18.6170.9-166.754.3000113.1V13 D15 S81 H124 G125 L126 C162 T164 L175V13-I122 HydrophobicContact CG1-CD1 3.63Å; V13-I122 HydrophobicContact CG1-CG1 4.47Å; D15-I122 HydrophobicContact CB-CD1 3.83Å; S81-I122 WeakPolarHBondContact OG-CA 3.44Å; S81-I122 PolarHBondContact OG-O 3.39Å; I122-H124 VanDerWaalsContact C-N 3.29Å; I122-H124 PolarHBondContact O-N 3.31Å; I122-G125 PolarHBondContact O-N 3.32Å; I122-L126 HydrophobicContact CG1-CD1 4.49Å; I122-L126 HydrophobicContact CG1-CG 4.5Å; I122-L126 HydrophobicContact CG2-CD1 4.41Å; I122-L126 PolarHBondContact O-N 2.76Å; I122-L126 VanDerWaalsContact O-N 3.15Å; I122-C162 VanDerWaalsContact CG1-SG 3.53Å; I122-T164 HydrophobicContact CG1-CG2 4.38Å; I122-L175 HydrophobicContact CG2-CD1 3.92Å; I122-L175 HydrophobicContact CG2-CD2 3.61Å; I122-L175 HydrophobicContact CG2-CG 4.43Å
123L97.4Very high93.6Very high46 Ų4654.1 Ų54.124%0.24129%0.289CS..Hα-helixtrans-61.8-34.9-178.6-72.9173.2000112.7S121 G125 L126 V127 M174 L175 C178S121-L123 PolarHBondContact O-N 2.98Å; S121-L123 WeakPolarHBondContact OG-CB 3.45Å; S121-L123 PolarHBondContact OG-N 3.15Å; L123-G125 VanDerWaalsContact C-N 3.34Å; L123-G125 PolarHBondContact O-N 3.14Å; L123-L126 HydrophobicContact CD2-CD1 4.35Å; L123-L126 PolarHBondContact O-N 3.45Å; L123-V127 WeakPolarHBondContact O-CG2 3.24Å; L123-V127 PolarHBondContact O-N 3.13Å; L123-M174 HydrophobicContact CD1-CE 4.37Å; L123-M174 HydrophobicContact CD1-SD 4.18Å; L123-M174 HydrophobicContact CD2-SD 4.38Å; L123-L175 HydrophobicContact CD2-CD2 3.58Å; L123-L175 HydrophobicContact CG-CD2 3.96Å; L123-C178 HydrophobicContact CD2-CB 3.71Å
124H98Very high93.8Very high73 Ų7349.6 Ų49.634%0.33826%0.26SS..Hα-helixtrans-57.9-49.3178.7-57.4125.3000111D82 S83 A85 C119 S121 I122 V127 A128D82-H124 PolarHBondContact O-ND1 3.02Å; S83-H124 PolarHBondContact O-CE1 3.26Å; A85-H124 HydrophobicContact CB-CB 4.17Å; A85-H124 WeakPolarHBondContact CB-O 3.32Å; C119-H124 PolarHBondContact O-CE1 3.41Å; S121-H124 PolarHBondContact O-ND1 3.07Å; I122-H124 VanDerWaalsContact C-N 3.29Å; I122-H124 PolarHBondContact O-N 3.31Å; H124-V127 PolarHBondContact O-N 2.91Å; H124-A128 PolarHBondContact O-N 3.05Å
125G98.5Very high94.1Very high0 Ų043.3 Ų43.30%024%0.239CC..Hα-helixtrans-67.8-34.1178.200000113.2S81 I122 L123 A128 A129S81-G125 PolarHBondContact OG-N 3.24Å; I122-G125 PolarHBondContact O-N 3.32Å; L123-G125 VanDerWaalsContact C-N 3.34Å; L123-G125 PolarHBondContact O-N 3.14Å; G125-A128 PolarHBondContact O-N 3.13Å; G125-A129 WeakPolarHBondContact O-CB 3.49Å; G125-A129 PolarHBondContact O-N 3.41Å
126L98.7Very high94.5Very high3 Ų343.3 Ų43.32%0.01623%0.233CC..Hα-helixtrans-65.4-40.2174.6-73.1173.8000112.2V13 I122 L123 A129 V130 I160 C162 L175 V179 L204V13-L126 HydrophobicContact CG2-CD2 4.48Å; I122-L126 HydrophobicContact CG1-CD1 4.49Å; I122-L126 HydrophobicContact CG1-CG 4.5Å; I122-L126 HydrophobicContact CG2-CD1 4.41Å; I122-L126 PolarHBondContact O-N 2.76Å; I122-L126 VanDerWaalsContact O-N 3.15Å; L123-L126 HydrophobicContact CD2-CD1 4.35Å; L123-L126 PolarHBondContact O-N 3.45Å; L126-A129 PolarHBondContact O-N 2.99Å; L126-V130 PolarHBondContact O-N 2.9Å; L126-I160 HydrophobicContact CD2-CG2 4.13Å; L126-C162 HydrophobicContact CD2-CB 3.97Å; L126-L175 HydrophobicContact CD1-CB 4.23Å; L126-L175 HydrophobicContact CD1-CD2 4.23Å; L126-V179 HydrophobicContact CB-CG2 3.96Å; L126-V179 HydrophobicContact CD1-CG2 3.98Å; L126-V179 HydrophobicContact CD2-CG2 3.99Å; L126-V179 HydrophobicContact CG-CG2 4.2Å; L126-L204 HydrophobicContact CD2-CD1 4.38Å
127V98.6Very high95Very high49 Ų4938.5 Ų38.530%0.29721%0.207SC..Hα-helixtrans-64.2-48.6173.8172.90000110.4L123 H124 A129 V130 E131 T182L123-V127 WeakPolarHBondContact O-CG2 3.24Å; L123-V127 PolarHBondContact O-N 3.13Å; H124-V127 PolarHBondContact O-N 2.91Å; V127-A129 PolarHBondContact O-N 3.29Å; V127-V130 PolarHBondContact O-N 2.99Å; V127-V130 VanDerWaalsContact O-N 3.08Å; V127-E131 PolarHBondContact O-N 3.22Å; V127-T182 HydrophobicContact CB-CG2 4.44Å; V127-T182 HydrophobicContact CG1-CG2 4.17Å; V127-T182 HydrophobicContact CG2-CG2 4.23Å
128A98.7Very high95.5Very high9 Ų939.2 Ų39.27%0.07420%0.204CC..Hα-helixtrans-60.2-32.5176.700000112.8I79 A85 H124 G125 E131 T132I79-A128 HydrophobicContact CD1-CB 4.01Å; I79-A128 HydrophobicContact CG2-CB 4.4Å; A85-A128 HydrophobicContact CB-CB 3.55Å; H124-A128 PolarHBondContact O-N 3.05Å; G125-A128 PolarHBondContact O-N 3.13Å; A128-E131 PolarHBondContact O-N 2.93Å; A128-T132 VanDerWaalsContact O-CG2 3.31Å; A128-T132 WeakPolarHBondContact O-CG2 3.45Å; A128-T132 PolarHBondContact O-N 3.23Å; A128-T132 PolarHBondContact O-OG1 3.21Å; A128-T132 VanDerWaalsContact O-OG1 3.12Å
129A98.8Very high96.3Very high0 Ų032.8 Ų32.80%017%0.173CC..Hα-helixtrans-65.9-39.9175.200000112.5V11 V13 I79 G125 L126 V127 T132 L133 I160V11-A129 HydrophobicContact CB-CB 4.16Å; V11-A129 HydrophobicContact CG1-CB 3.57Å; V13-A129 HydrophobicContact CG2-CB 3.68Å; I79-A129 HydrophobicContact CD1-CB 4.11Å; G125-A129 WeakPolarHBondContact O-CB 3.49Å; G125-A129 PolarHBondContact O-N 3.41Å; L126-A129 PolarHBondContact O-N 2.99Å; V127-A129 PolarHBondContact O-N 3.29Å; A129-T132 PolarHBondContact O-OG1 3.35Å; A129-T132 VanDerWaalsContact O-OG1 3.08Å; A129-L133 VanDerWaalsContact O-CG 3.29Å; A129-L133 WeakPolarHBondContact O-CG 3.3Å; A129-L133 PolarHBondContact O-N 3.02Å; A129-L133 VanDerWaalsContact O-N 3.07Å; A129-I160 HydrophobicContact CB-CD1 3.87Å; A129-I160 HydrophobicContact CB-CG1 4.14Å; A129-I160 HydrophobicContact CB-CG2 4.13Å
130V98.8Very high97.1Very high0 Ų028.5 Ų28.50%014%0.144CC..Hα-helixtrans-66-43.9174.4175.10000110.6L126 V127 T132 L133 C134 I160 V179 T182 I183 H186 I199L126-V130 PolarHBondContact O-N 2.9Å; V127-V130 PolarHBondContact O-N 2.99Å; V127-V130 VanDerWaalsContact O-N 3.08Å; V130-T132 PolarHBondContact O-N 2.79Å; V130-L133 PolarHBondContact O-N 3.49Å; V130-C134 PolarHBondContact O-N 2.91Å; V130-I160 HydrophobicContact CG2-CD1 4.21Å; V130-V179 HydrophobicContact CG2-CG1 4.27Å; V130-T182 HydrophobicContact CB-CG2 3.94Å; V130-T182 HydrophobicContact CG1-CG2 3.97Å; V130-T182 HydrophobicContact CG2-CG2 4.16Å; V130-I183 HydrophobicContact CB-CG1 4.38Å; V130-I183 HydrophobicContact CG1-CB 4.38Å; V130-I183 HydrophobicContact CG1-CG1 3.77Å; V130-I183 HydrophobicContact CG2-CD1 4.42Å; V130-I183 HydrophobicContact CG2-CG1 3.66Å; V130-H186 HydrophobicContact CG1-CB 3.9Å; V130-I199 HydrophobicContact CG1-CD1 3.97Å
131E98.4Very high97.3Very high80 Ų8032.5 Ų32.537%0.37416%0.159SC..Hα-helixtrans-58.2-46.9176.2-74.1176.6-160.400112.4V127 A128 C134 K135 H186V127-E131 PolarHBondContact O-N 3.22Å; A128-E131 PolarHBondContact O-N 2.93Å; E131-C134 WeakPolarHBondContact O-CB 3.35Å; E131-C134 PolarHBondContact O-N 3.47Å; E131-K135 PolarHBondContact O-N 3.47Å; E131-H186 VanDerWaalsContact CG-NE2 3.28Å; E131-H186 WeakPolarHBondContact CG-NE2 3.09Å; E131-H186 IonicContact OE1-NE2 2.8Å
132T98.3Very high97.3Very high2 Ų236.4 Ų36.41%0.01217%0.174CC..Hα-helixtrans-68.6-34.2-179.856.30000112.1N77 V87 W91 A128 A129 V130 C134 K135N77-T132 WeakPolarHBondContact OD1-CG2 3.42Å; V87-T132 HydrophobicContact CG2-CG2 4.39Å; W91-T132 PolarHBondContact NE1-O 3.28Å; A128-T132 VanDerWaalsContact O-CG2 3.31Å; A128-T132 WeakPolarHBondContact O-CG2 3.45Å; A128-T132 PolarHBondContact O-N 3.23Å; A128-T132 PolarHBondContact O-OG1 3.21Å; A128-T132 VanDerWaalsContact O-OG1 3.12Å; A129-T132 PolarHBondContact O-OG1 3.35Å; A129-T132 VanDerWaalsContact O-OG1 3.08Å; V130-T132 PolarHBondContact O-N 2.79Å; T132-C134 PolarHBondContact O-N 2.88Å; T132-K135 HydrophobicContact CG2-CD 4.47Å; T132-K135 WeakPolarHBondContact O-CB 3.43Å; T132-K135 PolarHBondContact O-N 3.37Å
133L98.6Very high97Very high1 Ų137.4 Ų37.41%0.00518%0.183CC..Hα-helixtrans-61.2-29.5173.1-76.4179.7000113K9 V11 W91 A129 V130 N156 I160 I199K9-L133 HydrophobicContact CB-CD2 3.69Å; K9-L133 HydrophobicContact CD-CD2 3.99Å; K9-L133 PolarHBondContact NZ-O 3.45Å; V11-L133 HydrophobicContact CG2-CD2 3.88Å; V11-L133 HydrophobicContact CG2-CG 4Å; W91-L133 HydrophobicContact CZ2-CD2 4.34Å; A129-L133 VanDerWaalsContact O-CG 3.29Å; A129-L133 WeakPolarHBondContact O-CG 3.3Å; A129-L133 PolarHBondContact O-N 3.02Å; A129-L133 VanDerWaalsContact O-N 3.07Å; V130-L133 PolarHBondContact O-N 3.49Å; L133-N156 PolarHBondContact O-ND2 3.5Å; L133-N156 PolarHBondContact O-OD1 3.31Å; L133-I160 HydrophobicContact CD1-CD1 3.96Å; L133-I160 HydrophobicContact CD1-CG1 3.8Å; L133-I199 HydrophobicContact CB-CD1 3.63Å; L133-I199 HydrophobicContact CB-CG1 3.97Å; L133-I199 HydrophobicContact CD1-CD1 4.23Å
134C98.2Very high96.7Very high3 Ų338.4 Ų38.42%0.0218%0.183CC..Hα-helixtrans-74.7-21.7173.3-67.90000113.4V130 E131 T132 A190 L196 M197V130-C134 PolarHBondContact O-N 2.91Å; E131-C134 WeakPolarHBondContact O-CB 3.35Å; E131-C134 PolarHBondContact O-N 3.47Å; T132-C134 PolarHBondContact O-N 2.88Å; C134-A190 HydrophobicContact CB-CB 4.37Å; C134-L196 HydrophobicContact CB-CD2 4.2Å; C134-L196 CarbonylContact O-C 3.51Å; C134-L196 WeakPolarHBondContact O-CA 3.42Å; C134-M197 VanDerWaalsContact CA-O 3.31Å; C134-M197 WeakPolarHBondContact CA-O 3.3Å; C134-M197 PolarHBondContact O-N 3.36Å
135K98Very high96.3Very high101 Ų10139.1 Ų39.144%0.43919%0.193SC..BIsolated β-bridgetrans-70.5141177.7-62.8178-174.4174.50110.9K9 E131 T132 L196K9-K135 PolarHBondContact NZ-O 3.49Å; E131-K135 PolarHBondContact O-N 3.47Å; T132-K135 HydrophobicContact CG2-CD 4.47Å; T132-K135 WeakPolarHBondContact O-CB 3.43Å; T132-K135 PolarHBondContact O-N 3.37Å; K135-L196 HydrophobicContact CG-CD2 4.25Å
136I96Very high95.8Very high39 Ų3945.4 Ų45.420%0.223%0.226CC..PPolyproline II helixtrans-77137.8-177.6-57.3173.7000110.1Q140 H141 H195 M197I136-Q140 HydrophobicContact CG2-CB 3.93Å; I136-H141 HydrophobicContact CG2-CB 3.82Å; I136-H195 VanDerWaalsContact CD1-C 3.48Å; I136-H195 WeakPolarHBondContact CD1-O 3.48Å; I136-H195 WeakPolarHBondContact CG1-O 3.43Å; I136-M197 HydrophobicContact CD1-CG 4.32Å; I136-M197 HydrophobicContact CG1-CG 3.89Å; I136-M197 HydrophobicContact CG1-SD 4.12Å; I136-M197 HydrophobicContact CG2-SD 4.49Å
137T97.6Very high95.2Very high2 Ų248.4 Ų48.41%0.01224%0.241CC..PPolyproline II helixtrans-88161171.166.30000111.1H8 K9 L75 W91 Y139 Q140 H141H8-T137 PolarHBondContact NE2-OG1 2.71Å; K9-T137 HydrophobicContact CD-CG2 4.28Å; K9-T137 HydrophobicContact CG-CG2 4.12Å; L75-T137 HydrophobicContact CD1-CG2 3.57Å; W91-T137 HydrophobicContact CB-CG2 3.83Å; W91-T137 HydrophobicContact CD2-CG2 4.2Å; W91-T137 HydrophobicContact CG-CG2 3.89Å; T137-Y139 VanDerWaalsContact C-N 3.26Å; T137-Y139 PolarHBondContact O-N 2.97Å; T137-Q140 PolarHBondContact O-N 3.4Å; T137-Q140 VanDerWaalsContact O-N 3.12Å; T137-Q140 WeakPolarHBondContact OG1-CB 3.38Å; T137-Q140 VanDerWaalsContact OG1-CG 3.29Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.38Å; T137-Q140 PolarHBondContact OG1-N 3.03Å; T137-Q140 VanDerWaalsContact OG1-N 3.14Å; T137-Q140 PolarHBondContact OG1-OE1 3.25Å; T137-H141 WeakPolarHBondContact O-CB 3.49Å; T137-H141 PolarHBondContact O-N 3.4Å
138E95.9Very high94.4Very high94 Ų9453.5 Ų53.544%0.43926%0.264SS..Hα-helixtrans-53.8-44.2176.1-63.2175.3149.600111.8T92 Q93 H141 E142T92-E138 WeakPolarHBondContact CG2-OE1 3.35Å; Q93-E138 PolarHBondContact N-OE2 2.89Å; E138-H141 PolarHBondContact O-N 2.9Å; E138-E142 PolarHBondContact O-N 3Å
139Y95.6Very high93Very high38 Ų3862 Ų6215%0.14930%0.302CS..Hα-helixtrans-67.3-38.3178.6-58.3-67000113.4F4 K73 L75 Q93 T137 A143F4-Y139 WeakPolarHBondContact CZ-O 3.38Å; K73-Y139 HydrophobicContact CB-CE2 4.4Å; K73-Y139 HydrophobicContact CG-CD1 4.02Å; K73-Y139 HydrophobicContact CG-CD2 4.34Å; K73-Y139 HydrophobicContact CG-CE1 3.83Å; K73-Y139 HydrophobicContact CG-CE2 4.14Å; K73-Y139 HydrophobicContact CG-CG 4.26Å; L75-Y139 HydrophobicContact CD1-CD2 4.1Å; L75-Y139 HydrophobicContact CD1-CE2 4.35Å; L75-Y139 HydrophobicContact CD2-CE2 4.21Å; Q93-Y139 PolarHBondContact OE1-OH 3.25Å; T137-Y139 VanDerWaalsContact C-N 3.26Å; T137-Y139 PolarHBondContact O-N 2.97Å; Y139-A143 WeakPolarHBondContact O-CB 3.28Å; Y139-A143 PolarHBondContact O-N 2.68Å
140Q95.1Very high92Very high0 Ų065.2 Ų65.20%032%0.319CS..Hα-helixtrans-68.7-39174.8-76.4175.3-37.700111F4 I136 T137 A143 R144 V154 G155 N156 M197F4-Q140 HydrophobicContact CD1-CG 3.85Å; F4-Q140 HydrophobicContact CE1-CG 3.78Å; F4-Q140 HydrophobicContact CG-CG 4.29Å; F4-Q140 HydrophobicContact CZ-CG 4.18Å; I136-Q140 HydrophobicContact CG2-CB 3.93Å; T137-Q140 PolarHBondContact O-N 3.4Å; T137-Q140 VanDerWaalsContact O-N 3.12Å; T137-Q140 WeakPolarHBondContact OG1-CB 3.38Å; T137-Q140 VanDerWaalsContact OG1-CG 3.29Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.38Å; T137-Q140 PolarHBondContact OG1-N 3.03Å; T137-Q140 VanDerWaalsContact OG1-N 3.14Å; T137-Q140 PolarHBondContact OG1-OE1 3.25Å; Q140-A143 PolarHBondContact O-N 3.41Å; Q140-R144 WeakPolarHBondContact O-CB 3.35Å; Q140-R144 VanDerWaalsContact O-CG 3.27Å; Q140-R144 WeakPolarHBondContact O-CG 3.42Å; Q140-R144 PolarHBondContact O-N 2.98Å; Q140-V154 HydrophobicContact CB-CG1 4.38Å; Q140-V154 HydrophobicContact CG-CG1 4.29Å; Q140-G155 PolarHBondContact NE2-O 2.82Å; Q140-G155 VanDerWaalsContact NE2-O 3.1Å; Q140-N156 PolarHBondContact NE2-OD1 3.18Å; Q140-N156 VanDerWaalsContact NE2-OD1 3.09Å; Q140-M197 HydrophobicContact CB-SD 4.26Å
141H93.5Very high90.9Very high110 Ų11066.1 Ų66.151%0.50933%0.326SS..Hα-helixtrans-61.9-50.4176.1-176.970.1000111I136 T137 E138 A143 R144 T145I136-H141 HydrophobicContact CG2-CB 3.82Å; T137-H141 WeakPolarHBondContact O-CB 3.49Å; T137-H141 PolarHBondContact O-N 3.4Å; E138-H141 PolarHBondContact O-N 2.9Å; H141-A143 VanDerWaalsContact C-N 3.34Å; H141-A143 PolarHBondContact O-N 2.59Å; H141-R144 PolarHBondContact O-N 2.72Å; H141-T145 PolarHBondContact O-N 2.88Å; H141-T145 PolarHBondContact O-OG1 2.92Å; H141-T145 VanDerWaalsContact O-OG1 3.08Å
142E93.1Very high89.7Confident114 Ų11471 Ų7153%0.53335%0.35SS..Hα-helixtrans-56.2-46.9175.8-173.8-175.6-174.200111.6E138 R144 T145 L146E138-E142 PolarHBondContact O-N 3Å; E142-R144 VanDerWaalsContact C-N 3.34Å; E142-R144 PolarHBondContact O-N 3.01Å; E142-T145 PolarHBondContact O-N 3.36Å; E142-L146 HydrophobicContact CG-CD1 4.13Å; E142-L146 WeakPolarHBondContact O-CG 3.07Å; E142-L146 PolarHBondContact O-N 2.91Å
143A91.9Very high89.1Confident21 Ų2179 Ų7917%0.17438%0.379CS..Hα-helixtrans-63.6-37178.900000113.1F4 Y139 Q140 H141 L147 V154F4-A143 HydrophobicContact CE2-CB 3.7Å; F4-A143 HydrophobicContact CZ-CB 3.78Å; Y139-A143 WeakPolarHBondContact O-CB 3.28Å; Y139-A143 PolarHBondContact O-N 2.68Å; Q140-A143 PolarHBondContact O-N 3.41Å; H141-A143 VanDerWaalsContact C-N 3.34Å; H141-A143 PolarHBondContact O-N 2.59Å; A143-L147 WeakPolarHBondContact O-CB 3.37Å; A143-L147 VanDerWaalsContact O-CG 3.29Å; A143-L147 WeakPolarHBondContact O-CG 3.44Å; A143-L147 PolarHBondContact O-N 3.32Å; A143-V154 HydrophobicContact CB-CG1 4.4Å; A143-V154 HydrophobicContact CB-CG2 4.09Å
144R89.9Confident88.7Confident68 Ų6879 Ų7926%0.25738%0.38SS..Hα-helixtrans-65.9-45.1174.9-74.6171.965.9106.5-2.5110.9Q140 H141 E142 L146 L147 M148 A151 V154Q140-R144 WeakPolarHBondContact O-CB 3.35Å; Q140-R144 VanDerWaalsContact O-CG 3.27Å; Q140-R144 WeakPolarHBondContact O-CG 3.42Å; Q140-R144 PolarHBondContact O-N 2.98Å; H141-R144 PolarHBondContact O-N 2.72Å; E142-R144 VanDerWaalsContact C-N 3.34Å; E142-R144 PolarHBondContact O-N 3.01Å; R144-L146 VanDerWaalsContact C-N 3.34Å; R144-L146 PolarHBondContact O-N 3.07Å; R144-L147 PolarHBondContact O-N 3.28Å; R144-M148 PolarHBondContact O-N 2.6Å; R144-M148 VanDerWaalsContact O-N 3.14Å; R144-A151 HydrophobicContact CB-CB 4.11Å; R144-A151 HydrophobicContact CG-CB 4.26Å; R144-V154 HydrophobicContact CG-CB 3.99Å; R144-V154 HydrophobicContact CG-CG1 4.27Å; R144-V154 HydrophobicContact CG-CG2 3.77Å
145T89.9Confident88.5Confident87 Ų8779.8 Ų79.853%0.53439%0.388SS..Hα-helixtrans-62.5-40.7178.8-58.40000111.8H141 E142 L147 M148H141-T145 PolarHBondContact O-N 2.88Å; H141-T145 PolarHBondContact O-OG1 2.92Å; H141-T145 VanDerWaalsContact O-OG1 3.08Å; E142-T145 PolarHBondContact O-N 3.36Å; T145-L147 VanDerWaalsContact C-N 3.35Å; T145-L147 PolarHBondContact O-N 3.39Å; T145-M148 WeakPolarHBondContact O-CG 3.5Å
146L88.6Confident88.5Confident133 Ų13375 Ų7570%0.69637%0.367SS*.Hα-helixtrans-67.2-32.2176.9-73.6171.4000113.6E142 R144E142-L146 HydrophobicContact CG-CD1 4.13Å; E142-L146 WeakPolarHBondContact O-CG 3.07Å; E142-L146 PolarHBondContact O-N 2.91Å; R144-L146 VanDerWaalsContact C-N 3.34Å; R144-L146 PolarHBondContact O-N 3.07Å
147L85.2Confident88.6Confident66 Ų6678.2 Ų78.235%0.34638%0.376SS..Hα-helixtrans-88.6-12.9-176.6-70.5174.1000113.8M1 A143 R144 T145 E149 N150 V154M1-L147 HydrophobicContact CE-CD1 3.66Å; A143-L147 WeakPolarHBondContact O-CB 3.37Å; A143-L147 VanDerWaalsContact O-CG 3.29Å; A143-L147 WeakPolarHBondContact O-CG 3.44Å; A143-L147 PolarHBondContact O-N 3.32Å; R144-L147 PolarHBondContact O-N 3.28Å; T145-L147 VanDerWaalsContact C-N 3.35Å; T145-L147 PolarHBondContact O-N 3.39Å; L147-E149 PolarHBondContact O-N 3.43Å; L147-N150 HydrophobicContact CB-CB 4.19Å; L147-N150 PolarHBondContact O-N 3.21Å; L147-V154 HydrophobicContact CD1-CG2 3.78Å
148M81.8Confident88.6Confident155 Ų15578.1 Ų78.176%0.76438%0.376SS*.G310 helixtrans42.8-101.8-179.5-56.3-177.392.900111.9R144 T145 N150 A151R144-M148 PolarHBondContact O-N 2.6Å; R144-M148 VanDerWaalsContact O-N 3.14Å; T145-M148 WeakPolarHBondContact O-CG 3.5Å; M148-N150 PolarHBondContact O-N 2.99Å; M148-A151 VanDerWaalsContact O-CB 3.24Å; M148-A151 WeakPolarHBondContact O-CB 3.48Å; M148-A151 PolarHBondContact O-N 3.44Å; M148-A151 VanDerWaalsContact O-N 3.12Å
149E70.4Confident88.7Confident189 Ų18974.2 Ų74.288%0.88336%0.357SS*.G310 helixtrans-63.7-20180-61.8178.4173.900114.3L147L147-E149 PolarHBondContact O-N 3.43Å
150N78.1Confident88.9Confident66 Ų6672.4 Ų72.435%0.35335%0.35SS..G310 helixtrans-103.218.2177-70.5-70000113.1L147 M148 E152 R153L147-N150 HydrophobicContact CB-CB 4.19Å; L147-N150 PolarHBondContact O-N 3.21Å; M148-N150 PolarHBondContact O-N 2.99Å; N150-E152 PolarHBondContact O-N 2.97Å; N150-E152 VanDerWaalsContact O-N 3.16Å; N150-R153 HydrophobicContact CB-CG 4.36Å; N150-R153 WeakPolarHBondContact O-CB 3.49Å; N150-R153 PolarHBondContact O-N 3.2Å; N150-R153 PolarHBondContact OD1-NE 3.5Å; N150-R153 VanDerWaalsContact OD1-NE 3.08Å; N150-R153 PolarHBondContact OD1-NH2 3.4Å
151A74.6Confident89.1Confident19 Ų1972.5 Ų72.516%0.15735%0.35CS..G310 helixtrans-56.6-29.6-179.700000113.3R144 M148 R153 V154R144-A151 HydrophobicContact CB-CB 4.11Å; R144-A151 HydrophobicContact CG-CB 4.26Å; M148-A151 VanDerWaalsContact O-CB 3.24Å; M148-A151 WeakPolarHBondContact O-CB 3.48Å; M148-A151 PolarHBondContact O-N 3.44Å; M148-A151 VanDerWaalsContact O-N 3.12Å; A151-R153 PolarHBondContact O-N 2.9Å; A151-V154 WeakPolarHBondContact O-CB 3.35Å; A151-V154 WeakPolarHBondContact O-CG2 3.4Å; A151-V154 PolarHBondContact O-N 3.46Å; A151-V154 VanDerWaalsContact O-N 3.11Å
152E74.5Confident89.3Confident184 Ų18467.2 Ų67.286%0.8633%0.326SS*.G310 helixtrans-63.3-20176.7-60.5-173.3175.400113.6N150 V154N150-E152 PolarHBondContact O-N 2.97Å; N150-E152 VanDerWaalsContact O-N 3.16Å; E152-V154 PolarHBondContact O-N 2.61Å
153R83.6Confident89.6Confident169 Ų16961.8 Ų61.864%0.63830%0.301SS*.G310 helixtrans-71.8-18.4177.1-60.8-173.7-174.7-171.70.3112M1 N150 A151 G155M1-R153 HydrophobicContact CE-CB 3.55Å; M1-R153 WeakPolarHBondContact CE-O 3.33Å; M1-R153 HydrophobicContact SD-CB 4.14Å; N150-R153 HydrophobicContact CB-CG 4.36Å; N150-R153 WeakPolarHBondContact O-CB 3.49Å; N150-R153 PolarHBondContact O-N 3.2Å; N150-R153 PolarHBondContact OD1-NE 3.5Å; N150-R153 VanDerWaalsContact OD1-NE 3.08Å; N150-R153 PolarHBondContact OD1-NH2 3.4Å; A151-R153 PolarHBondContact O-N 2.9Å; R153-G155 PolarHBondContact O-N 3.37Å; R153-G155 VanDerWaalsContact O-N 3.13Å
154V91.3Very high89.9Confident2 Ų261 Ų611%0.01229%0.293CS..SBendtrans-66.1112.6-179.5-177.60000110F4 Q140 A143 R144 L147 A151 E152 M197F4-V154 HydrophobicContact CD2-CG1 3.78Å; F4-V154 HydrophobicContact CE2-CG1 3.71Å; Q140-V154 HydrophobicContact CB-CG1 4.38Å; Q140-V154 HydrophobicContact CG-CG1 4.29Å; A143-V154 HydrophobicContact CB-CG1 4.4Å; A143-V154 HydrophobicContact CB-CG2 4.09Å; R144-V154 HydrophobicContact CG-CB 3.99Å; R144-V154 HydrophobicContact CG-CG1 4.27Å; R144-V154 HydrophobicContact CG-CG2 3.77Å; L147-V154 HydrophobicContact CD1-CG2 3.78Å; A151-V154 WeakPolarHBondContact O-CB 3.35Å; A151-V154 WeakPolarHBondContact O-CG2 3.4Å; A151-V154 PolarHBondContact O-N 3.46Å; A151-V154 VanDerWaalsContact O-N 3.11Å; E152-V154 PolarHBondContact O-N 2.61Å; V154-M197 HydrophobicContact CB-CE 4.07Å; V154-M197 HydrophobicContact CG1-CE 3.91Å; V154-M197 WeakPolarHBondContact O-CE 3.43Å
155G93.8Very high90.3Very high18 Ų1859.7 Ų59.719%0.18629%0.292CS..  trans-68.5144.217700000113F4 Q140 R153F4-G155 VanDerWaalsContact CB-O 3.23Å; F4-G155 WeakPolarHBondContact CB-O 3.43Å; Q140-G155 PolarHBondContact NE2-O 2.82Å; Q140-G155 VanDerWaalsContact NE2-O 3.1Å; R153-G155 PolarHBondContact O-N 3.37Å; R153-G155 VanDerWaalsContact O-N 3.13Å
156N97.3Very high90.6Very high1 Ų155.6 Ų55.61%0.00527%0.267CS..  trans-128.194.8172.2-177.542.5000110.5K9 L133 Q140 M197 Q198 Q200K9-N156 WeakPolarHBondContact CE-OD1 3.34Å; K9-N156 PolarHBondContact NZ-OD1 3Å; L133-N156 PolarHBondContact O-ND2 3.5Å; L133-N156 PolarHBondContact O-OD1 3.31Å; Q140-N156 PolarHBondContact NE2-OD1 3.18Å; Q140-N156 VanDerWaalsContact NE2-OD1 3.09Å; N156-M197 HydrophobicContact CB-CB 3.89Å; N156-M197 HydrophobicContact CB-CE 3.86Å; N156-M197 HydrophobicContact CB-SD 4.39Å; N156-M197 PolarHBondContact ND2-O 3.36Å; N156-M197 VanDerWaalsContact ND2-O 3.08Å; N156-Q198 WeakPolarHBondContact CB-O 3.27Å; N156-Q198 PolarHBondContact ND2-O 3.23Å; N156-Q198 VanDerWaalsContact ND2-O 3.08Å; N156-Q200 VanDerWaalsContact CB-OE1 3.29Å; N156-Q200 PolarHBondContact O-N 2.82Å; N156-Q200 PolarHBondContact O-OE1 2.91Å
157R98.1Very high90.9Very high106 Ų10656.7 Ų56.740%0.427%0.266SS..EExtended strand (participates in β ladder)trans-124.1156178.9-55.8-177.2-179.5-171.52.7109.2E6 K201E6-R157 HydrophobicContact CG-CB 4.31Å; E6-R157 VanDerWaalsContact OE1-CD 3.26Å; E6-R157 WeakPolarHBondContact OE1-CD 3.19Å; E6-R157 IonicContact OE1-CZ 2.71Å; E6-R157 IonicContact OE1-NE 2.77Å; E6-R157 IonicContact OE1-NH1 3.16Å; E6-R157 PolarHBondContact OE1-NH1 3.33Å; R157-K201 VanDerWaalsContact CA-O 3.24Å; R157-K201 WeakPolarHBondContact CA-O 3.27Å; R157-K201 HydrophobicContact CB-CB 4.34Å; R157-K201 HydrophobicContact CG-CB 3.89Å
158G98.4Very high91.5Very high0 Ų055.7 Ų55.70%027%0.265CS..EExtended strand (participates in β ladder)trans-161.6177.1176.500000113.6E6 K9 K201 C202 E203E6-G158 CarbonylContact O-C 3.5Å; E6-G158 WeakPolarHBondContact O-CA 3.33Å; K9-G158 CarbonylContact O-C 3.55Å; K9-G158 WeakPolarHBondContact O-CA 3.45Å; G158-K201 PolarHBondContact N-O 2.84Å; G158-K201 VanDerWaalsContact N-O 3.11Å; G158-C202 VanDerWaalsContact O-CA 3.32Å; G158-C202 WeakPolarHBondContact O-CA 3.37Å; G158-E203 PolarHBondContact O-N 3.22Å
159R98.8Very high92.3Very high13 Ų1350.8 Ų50.85%0.04924%0.242CC..EExtended strand (participates in β ladder)trans-128.2136.9177.4-178.1177.8-68.3126.5-7109.9E6 K9 T10 V11 I161 E203 V205 H254E6-R159 PolarHBondContact O-N 3.47Å; K9-R159 PolarHBondContact O-N 3.37Å; T10-R159 CarbonylContact C-O 3.54Å; T10-R159 WeakPolarHBondContact CA-O 3.43Å; V11-R159 PolarHBondContact N-O 3.34Å; R159-I161 HydrophobicContact CG-CG1 4.05Å; R159-E203 CarbonylContact C-O 3.53Å; R159-E203 VanDerWaalsContact CA-O 3.25Å; R159-E203 WeakPolarHBondContact CA-O 3.42Å; R159-E203 HydrophobicContact CB-CB 4.42Å; R159-E203 HydrophobicContact CG-CB 4.17Å; R159-E203 WeakPolarHBondContact CG-O 3.09Å; R159-E203 IonicContact CZ-OE2 3.07Å; R159-E203 IonicContact NE-OE1 2.69Å; R159-E203 IonicContact NE-OE2 2.62Å; R159-E203 PolarHBondContact NE-OE2 3.25Å; R159-E203 VanDerWaalsContact NE-OE2 3.08Å; R159-E203 IonicContact NH2-OE2 3.06Å; R159-E203 PolarHBondContact NH2-OE2 3.49Å; R159-V205 HydrophobicContact CG-CG2 4.24Å; R159-H254 WeakPolarHBondContact CD-CE1 3.29Å; R159-H254 WeakPolarHBondContact CD-ND1 3.32Å; R159-H254 PolarHBondContact NH1-O 3.32Å
160I98.9Very high93.6Very high0 Ų045.2 Ų45.20%022%0.223CC..EExtended strand (participates in β ladder)trans-108.1121.9170.5-57.4176.2000107.5V11 V13 L126 A129 V130 L133 V179 E203 L204 V205V11-I160 CarbonylContact O-C 3.59Å; V11-I160 WeakPolarHBondContact O-CA 3.44Å; V13-I160 HydrophobicContact CG2-CG2 3.89Å; L126-I160 HydrophobicContact CD2-CG2 4.13Å; A129-I160 HydrophobicContact CB-CD1 3.87Å; A129-I160 HydrophobicContact CB-CG1 4.14Å; A129-I160 HydrophobicContact CB-CG2 4.13Å; V130-I160 HydrophobicContact CG2-CD1 4.21Å; L133-I160 HydrophobicContact CD1-CD1 3.96Å; L133-I160 HydrophobicContact CD1-CG1 3.8Å; I160-V179 HydrophobicContact CD1-CG1 4.5Å; I160-E203 PolarHBondContact N-O 2.87Å; I160-L204 HydrophobicContact CB-CD1 3.94Å; I160-L204 HydrophobicContact CG2-CD1 3.88Å; I160-V205 PolarHBondContact O-N 3.02Å
161I98.9Very high94.5Very high1 Ų144 Ų441%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-110.3106.6173.7-53.6177.2000107.5T10 V11 F12 V13 Y62 R159 V205 I207T10-I161 HydrophobicContact CG2-CD1 3.82Å; T10-I161 HydrophobicContact CG2-CG1 4.25Å; V11-I161 PolarHBondContact O-N 2.92Å; F12-I161 WeakPolarHBondContact CA-O 3.15Å; F12-I161 HydrophobicContact CD1-CB 3.93Å; F12-I161 HydrophobicContact CD1-CG2 4.03Å; F12-I161 HydrophobicContact CE1-CB 3.85Å; F12-I161 HydrophobicContact CE1-CD1 4.03Å; F12-I161 HydrophobicContact CE1-CG2 3.66Å; F12-I161 HydrophobicContact CE2-CD1 4.42Å; F12-I161 HydrophobicContact CZ-CB 4.48Å; F12-I161 HydrophobicContact CZ-CD1 3.84Å; V13-I161 PolarHBondContact N-O 3.44Å; Y62-I161 HydrophobicContact CE1-CD1 4.41Å; Y62-I161 HydrophobicContact CE2-CD1 4.08Å; R159-I161 HydrophobicContact CG-CG1 4.05Å; I161-V205 HydrophobicContact CG1-CB 4.35Å; I161-I207 HydrophobicContact CG2-CD1 3.93Å
162C98.9Very high95.6Very high0 Ų043.3 Ų43.30%021%0.21CC..EExtended strand (participates in β ladder)trans-106.9123.3-175.6174.80000110.4V13 I122 L126 V205 L206 I207V13-C162 HydrophobicContact CB-CB 4.31Å; V13-C162 CarbonylContact O-C 3.56Å; V13-C162 VanDerWaalsContact O-CA 3.27Å; V13-C162 WeakPolarHBondContact O-CA 3.37Å; I122-C162 VanDerWaalsContact CG1-SG 3.53Å; L126-C162 HydrophobicContact CD2-CB 3.97Å; C162-V205 PolarHBondContact N-O 3.34Å; C162-L206 HydrophobicContact CB-CD2 3.75Å; C162-I207 PolarHBondContact O-N 3.46Å
163I98.9Very high96.7Very high0 Ų040.6 Ų40.60%019%0.191CC..EExtended strand (participates in β ladder)trans-116.3117.8179.2-45.2176.8000109.1V13 D15 S55 I207 T209 L243 L247V13-I163 PolarHBondContact O-N 3.18Å; D15-I163 PolarHBondContact N-O 3.35Å; D15-I163 VanDerWaalsContact N-O 3.14Å; S55-I163 WeakPolarHBondContact OG-CG2 3.48Å; I163-I207 WeakPolarHBondContact CA-O 3.36Å; I163-I207 HydrophobicContact CG1-CB 4.34Å; I163-I207 HydrophobicContact CG1-CD1 4.39Å; I163-I207 HydrophobicContact CG2-CB 4.48Å; I163-T209 HydrophobicContact CG2-CG2 4.01Å; I163-L243 HydrophobicContact CG2-CD2 4.47Å; I163-L247 HydrophobicContact CD1-CD2 3.95Å
164T98.6Very high97.4Very high3 Ų335.9 Ų35.92%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-153.9168.7-175.6178.20000111.1D15 I122 I207 H208 T209D15-T164 WeakPolarHBondContact OD2-CB 3.48Å; D15-T164 PolarHBondContact OD2-OG1 3.4Å; I122-T164 HydrophobicContact CG1-CG2 4.38Å; T164-I207 PolarHBondContact N-O 3.42Å; T164-I207 VanDerWaalsContact N-O 3.1Å; T164-H208 WeakPolarHBondContact O-CA 3.31Å; T164-T209 PolarHBondContact O-N 3.15Å
165N98Very high97.8Very high41 Ų4135.8 Ų35.822%0.21918%0.177CC..  trans-102.284167.4-174.8-104.6000110.3Y19 M20 L51 H208 T209Y19-N165 HydrophobicContact CD2-CB 4.03Å; Y19-N165 HydrophobicContact CE2-CB 4.15Å; M20-N165 HydrophobicContact SD-CB 3.96Å; L51-N165 HydrophobicContact CD1-CB 4.31Å; N165-H208 PolarHBondContact ND2-CE1 3.06Å; N165-T209 PolarHBondContact ND2-O 2.79Å
166A96.8Very high98Very high2 Ų235 Ų352%0.01717%0.169CC..  trans-68.7149.917600000114V172 H208 V218A166-V172 HydrophobicContact CB-CG2 3.66Å; A166-H208 PolarHBondContact N-ND1 3.33Å; A166-H208 VanDerWaalsContact N-ND1 3.18Å; A166-H208 PolarHBondContact O-CE1 2.85Å; A166-H208 PolarHBondContact O-ND1 3.21Å; A166-V218 HydrophobicContact CB-CG2 4.06Å
167K95.2Very high98Very high156 Ų15639 Ų3968%0.67819%0.19SC*.SBendtrans-79.9-30.4-174.5-60.9177.9-179.61750115.1H171K167-H171 HydrophobicContact CB-CB 4.25Å; K167-H171 PolarHBondContact N-ND1 3Å
168S97.7Very high98Very high45 Ų4535.7 Ų35.732%0.31518%0.182SC..  trans-171168.4-178.362.70000111.3S170 H171 V172 L217S168-S170 PolarHBondContact O-N 3.12Å; S168-S170 PolarHBondContact OG-N 3.14Å; S168-H171 WeakPolarHBondContact O-CB 3.3Å; S168-H171 PolarHBondContact O-N 3.41Å; S168-H171 PolarHBondContact OG-N 3.2Å; S168-V172 PolarHBondContact O-N 3.3Å; S168-L217 WeakPolarHBondContact CA-O 3.33Å
169D97.6Very high98Very high52 Ų5235.7 Ų35.728%0.27818%0.182SC..Hα-helixtrans-58.9-26.6171.2-59.8-75.2000113.5R173 S219D169-R173 WeakPolarHBondContact O-CG 3.37Å; D169-R173 PolarHBondContact O-N 3.19Å; D169-R173 VanDerWaalsContact O-N 3.08Å; D169-R173 PolarHBondContact O-NE 2.93Å; D169-R173 VanDerWaalsContact O-NE 3.15Å; D169-S219 PolarHBondContact OD1-N 3.49Å; D169-S219 PolarHBondContact OD1-OG 3.32Å
170S97.9Very high98Very high72 Ų7238.2 Ų38.250%0.50320%0.195SC..Hα-helixtrans-71.4-37.7174.3-169.60000111.4S168 M174S168-S170 PolarHBondContact O-N 3.12Å; S168-S170 PolarHBondContact OG-N 3.14Å; S170-M174 PolarHBondContact O-N 3.07Å; S170-M174 VanDerWaalsContact O-N 3.13Å
171H97.4Very high97.9Very high39 Ų3943.6 Ų43.618%0.18122%0.22CC..Hα-helixtrans-65.2-43.2174.2-176.6-128.5000110.6K167 S168 R173 M174 L175K167-H171 HydrophobicContact CB-CB 4.25Å; K167-H171 PolarHBondContact N-ND1 3Å; S168-H171 WeakPolarHBondContact O-CB 3.3Å; S168-H171 PolarHBondContact O-N 3.41Å; S168-H171 PolarHBondContact OG-N 3.2Å; H171-R173 PolarHBondContact O-N 2.82Å; H171-M174 VanDerWaalsContact CD2-CE 3.42Å; H171-M174 WeakPolarHBondContact CD2-CE 3.48Å; H171-M174 WeakPolarHBondContact O-CB 3.41Å; H171-M174 PolarHBondContact O-N 3.41Å; H171-L175 WeakPolarHBondContact O-CG 3.47Å; H171-L175 PolarHBondContact O-N 3.09Å; H171-L175 VanDerWaalsContact O-N 3.09Å
172V98Very high97.9Very high6 Ų644.6 Ų44.64%0.03623%0.226CC..Hα-helixtrans-60.1-44.7176.8174.80000111.9A166 S168 M174 L175 E176 L206 V218 V234A166-V172 HydrophobicContact CB-CG2 3.66Å; S168-V172 PolarHBondContact O-N 3.3Å; V172-M174 VanDerWaalsContact C-N 3.32Å; V172-M174 PolarHBondContact O-N 3.47Å; V172-L175 WeakPolarHBondContact O-CB 3.39Å; V172-L175 PolarHBondContact O-N 3.33Å; V172-L175 VanDerWaalsContact O-N 3.16Å; V172-E176 WeakPolarHBondContact O-CG 3.39Å; V172-E176 PolarHBondContact O-N 2.91Å; V172-E176 VanDerWaalsContact O-N 3.07Å; V172-L206 HydrophobicContact CG1-CD1 4.04Å; V172-V218 HydrophobicContact CG2-CG1 3.78Å; V172-V218 HydrophobicContact CG2-CG2 4.04Å; V172-V234 HydrophobicContact CG1-CB 4.48Å; V172-V234 HydrophobicContact CG1-CG1 3.99Å; V172-V234 HydrophobicContact CG1-CG2 3.62Å
173R97.6Very high97.9Very high127 Ų12744.7 Ų44.748%0.47923%0.227SC..Hα-helixtrans-60.1-40.3174.8-80.1176.7-93.9144.1-11.4112.7D169 H171 L175 E176 D177D169-R173 WeakPolarHBondContact O-CG 3.37Å; D169-R173 PolarHBondContact O-N 3.19Å; D169-R173 VanDerWaalsContact O-N 3.08Å; D169-R173 PolarHBondContact O-NE 2.93Å; D169-R173 VanDerWaalsContact O-NE 3.15Å; H171-R173 PolarHBondContact O-N 2.82Å; R173-L175 VanDerWaalsContact C-N 3.32Å; R173-L175 PolarHBondContact O-N 3.1Å; R173-E176 WeakPolarHBondContact O-CB 3.35Å; R173-E176 PolarHBondContact O-N 3.21Å; R173-D177 VanDerWaalsContact O-CG 3.26Å; R173-D177 PolarHBondContact O-N 3.02Å
174M97.9Very high97.8Very high69 Ų6950 Ų5034%0.3425%0.251SS..Hα-helixtrans-60.1-42.3174.5-179.6-79.5-65.800111.8L123 S170 H171 V172 E176 D177 C178L123-M174 HydrophobicContact CD1-CE 4.37Å; L123-M174 HydrophobicContact CD1-SD 4.18Å; L123-M174 HydrophobicContact CD2-SD 4.38Å; S170-M174 PolarHBondContact O-N 3.07Å; S170-M174 VanDerWaalsContact O-N 3.13Å; H171-M174 VanDerWaalsContact CD2-CE 3.42Å; H171-M174 WeakPolarHBondContact CD2-CE 3.48Å; H171-M174 WeakPolarHBondContact O-CB 3.41Å; H171-M174 PolarHBondContact O-N 3.41Å; V172-M174 VanDerWaalsContact C-N 3.32Å; V172-M174 PolarHBondContact O-N 3.47Å; M174-E176 VanDerWaalsContact C-N 3.33Å; M174-E176 PolarHBondContact O-N 3.24Å; M174-D177 PolarHBondContact O-N 3.17Å; M174-C178 WeakPolarHBondContact O-CB 3.41Å; M174-C178 PolarHBondContact O-N 3.08Å; M174-C178 PolarHBondContact O-SG 3.24Å; M174-C178 PolarHBondContact SD-SG 3.31Å
175L98.3Very high97.8Very high1 Ų155.9 Ų55.91%0.00528%0.278CS..Hα-helixtrans-62-41.4176.1-60.4178.8000111.9I122 L123 L126 H171 V172 R173 C178 V179 L206I122-L175 HydrophobicContact CG2-CD1 3.92Å; I122-L175 HydrophobicContact CG2-CD2 3.61Å; I122-L175 HydrophobicContact CG2-CG 4.43Å; L123-L175 HydrophobicContact CD2-CD2 3.58Å; L123-L175 HydrophobicContact CG-CD2 3.96Å; L126-L175 HydrophobicContact CD1-CB 4.23Å; L126-L175 HydrophobicContact CD1-CD2 4.23Å; H171-L175 WeakPolarHBondContact O-CG 3.47Å; H171-L175 PolarHBondContact O-N 3.09Å; H171-L175 VanDerWaalsContact O-N 3.09Å; V172-L175 WeakPolarHBondContact O-CB 3.39Å; V172-L175 PolarHBondContact O-N 3.33Å; V172-L175 VanDerWaalsContact O-N 3.16Å; R173-L175 VanDerWaalsContact C-N 3.32Å; R173-L175 PolarHBondContact O-N 3.1Å; L175-C178 PolarHBondContact O-N 3.22Å; L175-V179 VanDerWaalsContact O-CG2 3.32Å; L175-V179 WeakPolarHBondContact O-CG2 3.45Å; L175-V179 PolarHBondContact O-N 2.99Å; L175-L206 HydrophobicContact CD1-CD2 4.36Å
176E98.4Very high97.7Very high2 Ų255.8 Ų55.81%0.00928%0.277CS..Hα-helixtrans-63.4-46177.5-70.9167.7174.200112.7V172 R173 M174 V179 Q180 L204 L206 R221 L226 S232 V234V172-E176 WeakPolarHBondContact O-CG 3.39Å; V172-E176 PolarHBondContact O-N 2.91Å; V172-E176 VanDerWaalsContact O-N 3.07Å; R173-E176 WeakPolarHBondContact O-CB 3.35Å; R173-E176 PolarHBondContact O-N 3.21Å; M174-E176 VanDerWaalsContact C-N 3.33Å; M174-E176 PolarHBondContact O-N 3.24Å; E176-V179 PolarHBondContact O-N 3.39Å; E176-Q180 WeakPolarHBondContact O-CB 3.45Å; E176-Q180 PolarHBondContact O-N 3.38Å; E176-L204 HydrophobicContact CG-CD2 4.26Å; E176-L206 HydrophobicContact CG-CD1 3.53Å; E176-R221 VanDerWaalsContact CD-NH1 3.31Å; E176-R221 IonicContact OE1-CZ 2.7Å; E176-R221 IonicContact OE1-NH1 3.16Å; E176-R221 PolarHBondContact OE1-NH1 3.01Å; E176-R221 IonicContact OE1-NH2 2.75Å; E176-R221 PolarHBondContact OE1-NH2 3.31Å; E176-R221 IonicContact OE2-CZ 2.75Å; E176-R221 VanDerWaalsContact OE2-CZ 3.29Å; E176-R221 IonicContact OE2-NH1 2.9Å; E176-R221 PolarHBondContact OE2-NH1 3.22Å; E176-R221 IonicContact OE2-NH2 3.82Å; E176-R221 PolarHBondContact OE2-NH2 2.95Å; E176-L226 HydrophobicContact CB-CD1 3.69Å; E176-L226 HydrophobicContact CG-CD1 4.1Å; E176-S232 PolarHBondContact OE1-OG 2.91Å; E176-S232 VanDerWaalsContact OE1-OG 3.14Å; E176-V234 VanDerWaalsContact OE1-CG2 3.25Å; E176-V234 WeakPolarHBondContact OE1-CG2 3.49Å
177D98.1Very high97.8Very high84 Ų8456.6 Ų56.645%0.44928%0.281SS..Hα-helixtrans-63.1-43.6177.9-66.1-23.4000110.1R173 M174 V179 Q180 E181R173-D177 VanDerWaalsContact O-CG 3.26Å; R173-D177 PolarHBondContact O-N 3.02Å; M174-D177 PolarHBondContact O-N 3.17Å; D177-V179 PolarHBondContact O-N 3.23Å; D177-Q180 WeakPolarHBondContact O-CB 3.38Å; D177-Q180 PolarHBondContact O-N 3.24Å; D177-E181 WeakPolarHBondContact O-CG 3.49Å; D177-E181 PolarHBondContact O-N 2.67Å
178C97.8Very high97.8Very high36 Ų3654.8 Ų54.824%0.24327%0.273CS..Hα-helixtrans-59.5-43.8175.3-69.10000112.3L123 M174 L175 Q180 T182L123-C178 HydrophobicContact CD2-CB 3.71Å; M174-C178 WeakPolarHBondContact O-CB 3.41Å; M174-C178 PolarHBondContact O-N 3.08Å; M174-C178 PolarHBondContact O-SG 3.24Å; M174-C178 PolarHBondContact SD-SG 3.31Å; L175-C178 PolarHBondContact O-N 3.22Å; C178-Q180 VanDerWaalsContact C-N 3.35Å; C178-T182 VanDerWaalsContact O-CB 3.31Å; C178-T182 WeakPolarHBondContact O-CB 3.29Å; C178-T182 PolarHBondContact O-N 2.86Å; C178-T182 PolarHBondContact O-OG1 3.07Å
179V98.6Very high97.8Very high1 Ų157.6 Ų57.61%0.00628%0.283CS..Hα-helixtrans-65.5-40.6176.9173.30000110.8L126 V130 I160 L175 E176 D177 T182 I183 L204 L230L126-V179 HydrophobicContact CB-CG2 3.96Å; L126-V179 HydrophobicContact CD1-CG2 3.98Å; L126-V179 HydrophobicContact CD2-CG2 3.99Å; L126-V179 HydrophobicContact CG-CG2 4.2Å; V130-V179 HydrophobicContact CG2-CG1 4.27Å; I160-V179 HydrophobicContact CD1-CG1 4.5Å; L175-V179 VanDerWaalsContact O-CG2 3.32Å; L175-V179 WeakPolarHBondContact O-CG2 3.45Å; L175-V179 PolarHBondContact O-N 2.99Å; E176-V179 PolarHBondContact O-N 3.39Å; D177-V179 PolarHBondContact O-N 3.23Å; V179-T182 PolarHBondContact O-N 2.94Å; V179-I183 HydrophobicContact CG1-CD1 3.83Å; V179-I183 HydrophobicContact CG1-CG1 4.36Å; V179-I183 WeakPolarHBondContact O-CB 3.45Å; V179-I183 VanDerWaalsContact O-CG1 3.27Å; V179-I183 WeakPolarHBondContact O-CG1 3.45Å; V179-I183 PolarHBondContact O-N 3.1Å; V179-L204 HydrophobicContact CB-CD2 4.19Å; V179-L204 HydrophobicContact CG1-CD2 4.19Å; V179-L204 HydrophobicContact CG2-CD2 4.2Å; V179-L230 HydrophobicContact CB-CD2 4.43Å; V179-L230 HydrophobicContact CG1-CD1 4.35Å; V179-L230 HydrophobicContact CG1-CD2 4.01Å
180Q98.2Very high97.7Very high65 Ų6555.3 Ų55.330%0.30427%0.272SS..Hα-helixtrans-60.9-48.2178-168.9-135.351.400111.7E176 D177 C178 I183 H184 L226 L230E176-Q180 WeakPolarHBondContact O-CB 3.45Å; E176-Q180 PolarHBondContact O-N 3.38Å; D177-Q180 WeakPolarHBondContact O-CB 3.38Å; D177-Q180 PolarHBondContact O-N 3.24Å; C178-Q180 VanDerWaalsContact C-N 3.35Å; Q180-I183 PolarHBondContact O-N 3.49Å; Q180-H184 PolarHBondContact O-N 2.74Å; Q180-H184 VanDerWaalsContact O-N 3.11Å; Q180-L226 PolarHBondContact NE2-O 3.41Å; Q180-L226 VanDerWaalsContact NE2-O 3.07Å; Q180-L230 HydrophobicContact CB-CD2 3.84Å; Q180-L230 HydrophobicContact CG-CD2 4.36Å
181E98.1Very high97.5Very high114 Ų11454.6 Ų54.653%0.53327%0.271SS..Hα-helixtrans-63.1-45.5176.8-71.1178.3177.200111.1D177 I183 H184 E185D177-E181 WeakPolarHBondContact O-CG 3.49Å; D177-E181 PolarHBondContact O-N 2.67Å; E181-I183 VanDerWaalsContact C-N 3.35Å; E181-I183 PolarHBondContact O-N 3.11Å; E181-H184 WeakPolarHBondContact O-CB 3.27Å; E181-H184 PolarHBondContact O-N 3.44Å; E181-E185 PolarHBondContact O-N 3.01Å
182T98.4Very high97.3Very high21 Ų2159.6 Ų59.613%0.12930%0.299CS..Hα-helixtrans-61.1-42.1179.5-54.40000111.8V127 V130 C178 V179 H184 E185 H186V127-T182 HydrophobicContact CB-CG2 4.44Å; V127-T182 HydrophobicContact CG1-CG2 4.17Å; V127-T182 HydrophobicContact CG2-CG2 4.23Å; V130-T182 HydrophobicContact CB-CG2 3.94Å; V130-T182 HydrophobicContact CG1-CG2 3.97Å; V130-T182 HydrophobicContact CG2-CG2 4.16Å; C178-T182 VanDerWaalsContact O-CB 3.31Å; C178-T182 WeakPolarHBondContact O-CB 3.29Å; C178-T182 PolarHBondContact O-N 2.86Å; C178-T182 PolarHBondContact O-OG1 3.07Å; V179-T182 PolarHBondContact O-N 2.94Å; T182-H184 VanDerWaalsContact C-N 3.33Å; T182-H184 PolarHBondContact O-N 3.25Å; T182-E185 PolarHBondContact O-N 2.98Å; T182-H186 WeakPolarHBondContact O-CB 3.49Å; T182-H186 PolarHBondContact O-N 3.35Å; T182-H186 PolarHBondContact O-ND1 3.46Å
183I98.5Very high97Very high3 Ų361.2 Ų61.22%0.01531%0.31CS..Hα-helixtrans-61.4-43174.5-71.8170000110.6V130 V179 Q180 E181 E185 N187 I199 C202 V229 L230V130-I183 HydrophobicContact CB-CG1 4.38Å; V130-I183 HydrophobicContact CG1-CB 4.38Å; V130-I183 HydrophobicContact CG1-CG1 3.77Å; V130-I183 HydrophobicContact CG2-CD1 4.42Å; V130-I183 HydrophobicContact CG2-CG1 3.66Å; V179-I183 HydrophobicContact CG1-CD1 3.83Å; V179-I183 HydrophobicContact CG1-CG1 4.36Å; V179-I183 WeakPolarHBondContact O-CB 3.45Å; V179-I183 VanDerWaalsContact O-CG1 3.27Å; V179-I183 WeakPolarHBondContact O-CG1 3.45Å; V179-I183 PolarHBondContact O-N 3.1Å; Q180-I183 PolarHBondContact O-N 3.49Å; E181-I183 VanDerWaalsContact C-N 3.35Å; E181-I183 PolarHBondContact O-N 3.11Å; I183-E185 PolarHBondContact O-N 3.28Å; I183-N187 WeakPolarHBondContact O-CB 3.23Å; I183-N187 VanDerWaalsContact O-CG 3.3Å; I183-N187 PolarHBondContact O-N 3.1Å; I183-I199 HydrophobicContact CG1-CD1 4.38Å; I183-C202 HydrophobicContact CD1-CB 3.93Å; I183-V229 HydrophobicContact CG2-CB 4.39Å; I183-V229 HydrophobicContact CG2-CG1 3.78Å; I183-L230 HydrophobicContact CD1-CB 4.31Å; I183-L230 HydrophobicContact CD1-CD1 3.94Å; I183-L230 HydrophobicContact CD1-CD2 4.33Å; I183-L230 HydrophobicContact CD1-CG 4.42Å
184H97.7Very high96.4Very high112 Ų11262 Ų6252%0.51932%0.324SS..Hα-helixtrans-62.2-44.2-179.9-17872.3000111.8Q180 E181 T182 K188Q180-H184 PolarHBondContact O-N 2.74Å; Q180-H184 VanDerWaalsContact O-N 3.11Å; E181-H184 WeakPolarHBondContact O-CB 3.27Å; E181-H184 PolarHBondContact O-N 3.44Å; T182-H184 VanDerWaalsContact C-N 3.33Å; T182-H184 PolarHBondContact O-N 3.25Å; H184-K188 PolarHBondContact CD2-NZ 3.31Å; H184-K188 WeakPolarHBondContact NE2-CE 3.45Å; H184-K188 PolarHBondContact NE2-NZ 3.18Å; H184-K188 PolarHBondContact O-N 3.29Å
185E97.1Very high96Very high125 Ų12565.9 Ų65.958%0.58434%0.341SS*.Hα-helixtrans-69.8-47.7178.7-67.6-175.516900112.2E181 T182 I183 N187 K188 L189E181-E185 PolarHBondContact O-N 3.01Å; T182-E185 PolarHBondContact O-N 2.98Å; I183-E185 PolarHBondContact O-N 3.28Å; E185-N187 VanDerWaalsContact C-N 3.3Å; E185-N187 PolarHBondContact O-N 3.48Å; E185-K188 WeakPolarHBondContact O-CB 3.45Å; E185-K188 PolarHBondContact O-N 3.47Å; E185-L189 PolarHBondContact O-N 3.24Å
186H96.8Very high95.8Very high40 Ų4067.9 Ų67.919%0.18535%0.351CS..Hα-helixtrans-66.9-29.8-179.8-86.280.9000113.1V130 E131 T182 K188 L189 A190V130-H186 HydrophobicContact CG1-CB 3.9Å; E131-H186 VanDerWaalsContact CG-NE2 3.28Å; E131-H186 WeakPolarHBondContact CG-NE2 3.09Å; E131-H186 IonicContact OE1-NE2 2.8Å; T182-H186 WeakPolarHBondContact O-CB 3.49Å; T182-H186 PolarHBondContact O-N 3.35Å; T182-H186 PolarHBondContact O-ND1 3.46Å; H186-K188 VanDerWaalsContact C-N 3.3Å; H186-K188 PolarHBondContact O-N 3Å; H186-L189 PolarHBondContact O-N 2.81Å; H186-A190 VanDerWaalsContact O-CB 3.31Å; H186-A190 WeakPolarHBondContact O-CB 3.44Å; H186-A190 PolarHBondContact O-N 2.98Å
187N97.6Very high95.7Very high19 Ų1968.1 Ų68.110%0.10235%0.353CS..Hα-helixtrans-66.3-30.8172-84.6-12.4000112.8I183 E185 A191 Q198 I199I183-N187 WeakPolarHBondContact O-CB 3.23Å; I183-N187 VanDerWaalsContact O-CG 3.3Å; I183-N187 PolarHBondContact O-N 3.1Å; E185-N187 VanDerWaalsContact C-N 3.3Å; E185-N187 PolarHBondContact O-N 3.48Å; N187-A191 WeakPolarHBondContact O-CB 3.46Å; N187-A191 PolarHBondContact O-N 2.9Å; N187-A191 VanDerWaalsContact O-N 3.1Å; N187-Q198 WeakPolarHBondContact O-CG 3.44Å; N187-Q198 PolarHBondContact O-NE2 3.25Å; N187-Q198 WeakPolarHBondContact OD1-CA 3.35Å; N187-I199 PolarHBondContact ND2-O 3.38Å; N187-I199 PolarHBondContact OD1-N 2.94Å
188K97.1Very high95.7Very high118 Ų11868.3 Ų68.351%0.51335%0.351SS..Hα-helixtrans-69.7-40.3172.7-66.5173.7-173.91680110.9H184 E185 H186 N192H184-K188 PolarHBondContact CD2-NZ 3.31Å; H184-K188 WeakPolarHBondContact NE2-CE 3.45Å; H184-K188 PolarHBondContact NE2-NZ 3.18Å; H184-K188 PolarHBondContact O-N 3.29Å; E185-K188 WeakPolarHBondContact O-CB 3.45Å; E185-K188 PolarHBondContact O-N 3.47Å; H186-K188 VanDerWaalsContact C-N 3.3Å; H186-K188 PolarHBondContact O-N 3Å; K188-N192 PolarHBondContact O-ND2 3.14Å
189L96.3Very high95.7Very high103 Ų10366.7 Ų66.754%0.53934%0.34SS..Hα-helixtrans-64.1-47.6175.5-176.766.4000111.2E185 H186 A191 N192E185-L189 PolarHBondContact O-N 3.24Å; H186-L189 PolarHBondContact O-N 2.81Å; L189-A191 VanDerWaalsContact C-N 3.29Å; L189-A191 PolarHBondContact O-N 2.91Å; L189-N192 PolarHBondContact O-N 2.82Å; L189-N192 VanDerWaalsContact O-N 3.12Å
190A95.4Very high95.7Very high4 Ų470.5 Ų70.53%0.03336%0.358CS..Hα-helixtrans-65-30.3-178.900000113.2C134 H186 N192 S193 L196 Q198C134-A190 HydrophobicContact CB-CB 4.37Å; H186-A190 VanDerWaalsContact O-CB 3.31Å; H186-A190 WeakPolarHBondContact O-CB 3.44Å; H186-A190 PolarHBondContact O-N 2.98Å; A190-N192 PolarHBondContact O-N 2.78Å; A190-S193 PolarHBondContact O-N 3.23Å; A190-L196 HydrophobicContact CB-CB 3.76Å; A190-L196 HydrophobicContact CB-CD1 4.44Å; A190-Q198 HydrophobicContact CB-CG 4.26Å
191A93.8Very high95.6Very high58 Ų5869.4 Ų69.448%0.47935%0.352SS..Hα-helixtrans-62.3-28.6174.700000113.3N187 L189 Q198N187-A191 WeakPolarHBondContact O-CB 3.46Å; N187-A191 PolarHBondContact O-N 2.9Å; N187-A191 VanDerWaalsContact O-N 3.1Å; L189-A191 VanDerWaalsContact C-N 3.29Å; L189-A191 PolarHBondContact O-N 2.91Å; A191-Q198 HydrophobicContact CB-CG 4.23Å
192N92.8Very high95.7Very high144 Ų14464 Ų6477%0.7733%0.326SS*.THydrogen-bonded Turntrans-102.517.1-176-62.3-62.2000112.3K188 L189 A190K188-N192 PolarHBondContact O-ND2 3.14Å; L189-N192 PolarHBondContact O-N 2.82Å; L189-N192 VanDerWaalsContact O-N 3.12Å; A190-N192 PolarHBondContact O-N 2.78Å
193S91.9Very high95.7Very high40 Ų4063.8 Ų63.828%0.2832%0.324SS..  trans-127.4132.4-176.9175.10000111.3A190 H195A190-S193 PolarHBondContact O-N 3.23Å; S193-H195 PolarHBondContact O-N 3.35Å; S193-H195 PolarHBondContact OG-N 3.2Å
194D85.6Confident95.7Very high143 Ų14363.6 Ų63.677%0.76532%0.323SS*.THydrogen-bonded Turntrans-74.4-11.1178.2-63.7-37.9000113.3
195H88.8Confident95.7Very high151 Ų15158.3 Ų58.370%0.69930%0.298SS*.THydrogen-bonded Turntrans-116.13.8-174-56.1-37.4000113.6I136 S193I136-H195 VanDerWaalsContact CD1-C 3.48Å; I136-H195 WeakPolarHBondContact CD1-O 3.48Å; I136-H195 WeakPolarHBondContact CG1-O 3.43Å; S193-H195 PolarHBondContact O-N 3.35Å; S193-H195 PolarHBondContact OG-N 3.2Å
196L95.5Very high95.8Very high42 Ų4252.6 Ų52.622%0.2227%0.272CS..BIsolated β-bridgetrans-121.9163177.8-62.9171.5000110.4C134 K135 A190C134-L196 HydrophobicContact CB-CD2 4.2Å; C134-L196 CarbonylContact O-C 3.51Å; C134-L196 WeakPolarHBondContact O-CA 3.42Å; K135-L196 HydrophobicContact CG-CD2 4.25Å; A190-L196 HydrophobicContact CB-CB 3.76Å; A190-L196 HydrophobicContact CB-CD1 4.44Å
197M96.3Very high95.9Very high8 Ų850.7 Ų50.74%0.03926%0.263CS..  trans-129.3135.2173.2-72.9178.777.800109.5C134 I136 Q140 V154 N156C134-M197 VanDerWaalsContact CA-O 3.31Å; C134-M197 WeakPolarHBondContact CA-O 3.3Å; C134-M197 PolarHBondContact O-N 3.36Å; I136-M197 HydrophobicContact CD1-CG 4.32Å; I136-M197 HydrophobicContact CG1-CG 3.89Å; I136-M197 HydrophobicContact CG1-SD 4.12Å; I136-M197 HydrophobicContact CG2-SD 4.49Å; Q140-M197 HydrophobicContact CB-SD 4.26Å; V154-M197 HydrophobicContact CB-CE 4.07Å; V154-M197 HydrophobicContact CG1-CE 3.91Å; V154-M197 WeakPolarHBondContact O-CE 3.43Å; N156-M197 HydrophobicContact CB-CB 3.89Å; N156-M197 HydrophobicContact CB-CE 3.86Å; N156-M197 HydrophobicContact CB-SD 4.39Å; N156-M197 PolarHBondContact ND2-O 3.36Å; N156-M197 VanDerWaalsContact ND2-O 3.08Å
198Q97.3Very high96Very high88 Ų8850 Ų5041%0.41126%0.259SS..  trans-61.3143.4171.1-58.9-174.5-64.800110.4N156 N187 A190 A191 Q200N156-Q198 WeakPolarHBondContact CB-O 3.27Å; N156-Q198 PolarHBondContact ND2-O 3.23Å; N156-Q198 VanDerWaalsContact ND2-O 3.08Å; N187-Q198 WeakPolarHBondContact O-CG 3.44Å; N187-Q198 PolarHBondContact O-NE2 3.25Å; N187-Q198 WeakPolarHBondContact OD1-CA 3.35Å; A190-Q198 HydrophobicContact CB-CG 4.26Å; A191-Q198 HydrophobicContact CB-CG 4.23Å; Q198-Q200 PolarHBondContact O-N 3.09Å; Q198-Q200 PolarHBondContact O-NE2 2.71Å; Q198-Q200 PolarHBondContact O-OE1 3.4Å
199I98.3Very high96Very high2 Ų244.4 Ų44.41%0.0124%0.235CC..  trans-79.5111.9172.6-55.2168.4000107.7V130 L133 I183 N187 C202 V229V130-I199 HydrophobicContact CG1-CD1 3.97Å; L133-I199 HydrophobicContact CB-CD1 3.63Å; L133-I199 HydrophobicContact CB-CG1 3.97Å; L133-I199 HydrophobicContact CD1-CD1 4.23Å; I183-I199 HydrophobicContact CG1-CD1 4.38Å; N187-I199 PolarHBondContact ND2-O 3.38Å; N187-I199 PolarHBondContact OD1-N 2.94Å; I199-C202 HydrophobicContact CG2-CB 3.94Å; I199-V229 HydrophobicContact CB-CG1 4.41Å; I199-V229 HydrophobicContact CG2-CG1 3.97Å; I199-V229 VanDerWaalsContact O-CG1 3.27Å; I199-V229 WeakPolarHBondContact O-CG1 3.21Å
200Q97.4Very high96.1Very high81 Ų8140.2 Ų40.238%0.37921%0.212SC..SBendtrans-84.8-28.6176.9-61.389.84.300112.8N156 Q198N156-Q200 VanDerWaalsContact CB-OE1 3.29Å; N156-Q200 PolarHBondContact O-N 2.82Å; N156-Q200 PolarHBondContact O-OE1 2.91Å; Q198-Q200 PolarHBondContact O-N 3.09Å; Q198-Q200 PolarHBondContact O-NE2 2.71Å; Q198-Q200 PolarHBondContact O-OE1 3.4Å
201K97.9Very high96.3Very high41 Ų4140.2 Ų40.218%0.17821%0.211CC..EExtended strand (participates in β ladder)trans-148.9135.3172.9-161.572.4-175.61670110.6E6 R157 G158 E225 P228 V229 T231E6-K201 HydrophobicContact CG-CG 4.46Å; R157-K201 VanDerWaalsContact CA-O 3.24Å; R157-K201 WeakPolarHBondContact CA-O 3.27Å; R157-K201 HydrophobicContact CB-CB 4.34Å; R157-K201 HydrophobicContact CG-CB 3.89Å; G158-K201 PolarHBondContact N-O 2.84Å; G158-K201 VanDerWaalsContact N-O 3.11Å; K201-E225 IonicContact NZ-OE1 3.95Å; K201-E225 PolarHBondContact NZ-OE1 3.42Å; K201-E225 IonicContact NZ-OE2 3.24Å; K201-E225 PolarHBondContact NZ-OE2 3.12Å; K201-P228 PolarHBondContact NZ-O 2.94Å; K201-P228 VanDerWaalsContact NZ-O 3.15Å; K201-V229 CarbonylContact C-O 3.55Å; K201-V229 WeakPolarHBondContact CA-O 3.26Å; K201-V229 WeakPolarHBondContact CD-O 3.22Å; K201-T231 VanDerWaalsContact CE-OG1 3.26Å; K201-T231 WeakPolarHBondContact CE-OG1 3.32Å; K201-T231 PolarHBondContact NZ-OG1 3.32Å
202C98.6Very high96.4Very high0 Ų039.4 Ų39.40%020%0.201CC..EExtended strand (participates in β ladder)trans-130.7129.8176.5-172.70000109.8G158 I183 I199 V229 L230 T231G158-C202 VanDerWaalsContact O-CA 3.32Å; G158-C202 WeakPolarHBondContact O-CA 3.37Å; I183-C202 HydrophobicContact CD1-CB 3.93Å; I199-C202 HydrophobicContact CG2-CB 3.94Å; C202-V229 PolarHBondContact N-O 2.96Å; C202-L230 HydrophobicContact CB-CD1 4.02Å; C202-L230 WeakPolarHBondContact O-CA 3.27Å; C202-T231 PolarHBondContact O-N 3.12Å
203E98.6Very high96.5Very high17 Ų1736 Ų368%0.07920%0.2CC..EExtended strand (participates in β ladder)trans-103.1120.8168.3-172.5178.7171.500109.3G158 R159 I160 V205 K223 T231G158-E203 PolarHBondContact O-N 3.22Å; R159-E203 CarbonylContact C-O 3.53Å; R159-E203 VanDerWaalsContact CA-O 3.25Å; R159-E203 WeakPolarHBondContact CA-O 3.42Å; R159-E203 HydrophobicContact CB-CB 4.42Å; R159-E203 HydrophobicContact CG-CB 4.17Å; R159-E203 WeakPolarHBondContact CG-O 3.09Å; R159-E203 IonicContact CZ-OE2 3.07Å; R159-E203 IonicContact NE-OE1 2.69Å; R159-E203 IonicContact NE-OE2 2.62Å; R159-E203 PolarHBondContact NE-OE2 3.25Å; R159-E203 VanDerWaalsContact NE-OE2 3.08Å; R159-E203 IonicContact NH2-OE2 3.06Å; R159-E203 PolarHBondContact NH2-OE2 3.49Å; I160-E203 PolarHBondContact N-O 2.87Å; E203-V205 HydrophobicContact CG-CG2 4.26Å; E203-K223 WeakPolarHBondContact OE1-CE 3.37Å; E203-K223 IonicContact OE1-NZ 3.26Å; E203-K223 PolarHBondContact OE1-NZ 3.03Å; E203-K223 IonicContact OE2-NZ 2.79Å; E203-T231 CarbonylContact C-O 3.36Å; E203-T231 WeakPolarHBondContact CA-O 3.34Å
204L98.8Very high96.6Very high0 Ų037.4 Ų37.40%020%0.202CC..EExtended strand (participates in β ladder)trans-102.8117.217617463.9000109.9L126 I160 E176 V179 L206 L230 T231 S232 E233L126-L204 HydrophobicContact CD2-CD1 4.38Å; I160-L204 HydrophobicContact CB-CD1 3.94Å; I160-L204 HydrophobicContact CG2-CD1 3.88Å; E176-L204 HydrophobicContact CG-CD2 4.26Å; V179-L204 HydrophobicContact CB-CD2 4.19Å; V179-L204 HydrophobicContact CG1-CD2 4.19Å; V179-L204 HydrophobicContact CG2-CD2 4.2Å; L204-L206 HydrophobicContact CD1-CD2 4.48Å; L204-L206 HydrophobicContact CD1-CG 4.14Å; L204-L206 HydrophobicContact CD2-CD1 3.87Å; L204-L206 HydrophobicContact CD2-CG 4.2Å; L204-L206 HydrophobicContact CG-CD1 4.19Å; L204-L206 HydrophobicContact CG-CG 4Å; L204-L230 HydrophobicContact CB-CD1 3.77Å; L204-T231 PolarHBondContact N-O 3.18Å; L204-S232 CarbonylContact O-C 3.58Å; L204-S232 VanDerWaalsContact O-CA 3.26Å; L204-S232 WeakPolarHBondContact O-CA 3.47Å; L204-E233 PolarHBondContact O-N 3.26Å
205V98.8Very high97.1Very high0 Ų037.9 Ų37.90%020%0.204CC..EExtended strand (participates in β ladder)trans-109.5100.4177.4-175.30000108.1R159 I160 I161 C162 E203 I207 E233 L250R159-V205 HydrophobicContact CG-CG2 4.24Å; I160-V205 PolarHBondContact O-N 3.02Å; I161-V205 HydrophobicContact CG1-CB 4.35Å; C162-V205 PolarHBondContact N-O 3.34Å; E203-V205 HydrophobicContact CG-CG2 4.26Å; V205-I207 HydrophobicContact CG1-CD1 4.27Å; V205-I207 HydrophobicContact CG1-CG1 4.05Å; V205-E233 HydrophobicContact CB-CG 4.35Å; V205-E233 HydrophobicContact CG1-CG 4.25Å; V205-E233 HydrophobicContact CG2-CG 4.01Å; V205-L250 HydrophobicContact CG1-CD1 4.02Å; V205-L250 HydrophobicContact CG1-CD2 4.46Å
206L98.8Very high97.4Very high5 Ų532.6 Ų32.63%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-91.5119.4177.7-78.3162000109.7C162 V172 L175 E176 L204 E233 V234 H235C162-L206 HydrophobicContact CB-CD2 3.75Å; V172-L206 HydrophobicContact CG1-CD1 4.04Å; L175-L206 HydrophobicContact CD1-CD2 4.36Å; E176-L206 HydrophobicContact CG-CD1 3.53Å; L204-L206 HydrophobicContact CD1-CD2 4.48Å; L204-L206 HydrophobicContact CD1-CG 4.14Å; L204-L206 HydrophobicContact CD2-CD1 3.87Å; L204-L206 HydrophobicContact CD2-CG 4.2Å; L204-L206 HydrophobicContact CG-CD1 4.19Å; L204-L206 HydrophobicContact CG-CG 4Å; L206-E233 PolarHBondContact N-O 2.97Å; L206-V234 HydrophobicContact CB-CG2 4.3Å; L206-V234 CarbonylContact O-C 3.54Å; L206-V234 VanDerWaalsContact O-CA 3.29Å; L206-V234 WeakPolarHBondContact O-CA 3.4Å; L206-H235 PolarHBondContact O-N 3.42Å
207I98.8Very high97.4Very high0 Ų036.1 Ų36.10%020%0.203CC..EExtended strand (participates in β ladder)trans-113.6103-179.3-52.8-178.2000108.1I161 C162 I163 T164 V205 H235 V237 L243 L247 L250I161-I207 HydrophobicContact CG2-CD1 3.93Å; C162-I207 PolarHBondContact O-N 3.46Å; I163-I207 WeakPolarHBondContact CA-O 3.36Å; I163-I207 HydrophobicContact CG1-CB 4.34Å; I163-I207 HydrophobicContact CG1-CD1 4.39Å; I163-I207 HydrophobicContact CG2-CB 4.48Å; T164-I207 PolarHBondContact N-O 3.42Å; T164-I207 VanDerWaalsContact N-O 3.1Å; V205-I207 HydrophobicContact CG1-CD1 4.27Å; V205-I207 HydrophobicContact CG1-CG1 4.05Å; I207-H235 CarbonylContact C-O 3.54Å; I207-H235 WeakPolarHBondContact CA-O 3.31Å; I207-V237 HydrophobicContact CG2-CG1 3.56Å; I207-L243 HydrophobicContact CG2-CD1 3.63Å; I207-L247 HydrophobicContact CD1-CD1 3.63Å; I207-L247 HydrophobicContact CD1-CG 4.37Å; I207-L250 HydrophobicContact CD1-CD1 3.65Å
208H98.6Very high97.4Very high5 Ų536 Ų362%0.02320%0.203CC..EExtended strand (participates in β ladder)trans-78.1117.1168.5171.771.1000109.1T164 N165 A166 Y210 S216 V218 H235 V237T164-H208 WeakPolarHBondContact O-CA 3.31Å; N165-H208 PolarHBondContact ND2-CE1 3.06Å; A166-H208 PolarHBondContact N-ND1 3.33Å; A166-H208 VanDerWaalsContact N-ND1 3.18Å; A166-H208 PolarHBondContact O-CE1 2.85Å; A166-H208 PolarHBondContact O-ND1 3.21Å; H208-Y210 AromaticContact CD2-CD1 3.6Å; H208-Y210 AromaticContact NE2-CD1 3.51Å; H208-Y210 AromaticContact NE2-CG 3.98Å; H208-S216 PolarHBondContact CD2-OG 3.4Å; H208-S216 PolarHBondContact NE2-OG 3.46Å; H208-V218 HydrophobicContact CB-CB 4.02Å; H208-V218 HydrophobicContact CB-CG1 4.08Å; H208-V218 HydrophobicContact CB-CG2 4.18Å; H208-H235 PolarHBondContact N-O 2.94Å; H208-V237 PolarHBondContact O-N 3.45Å
209T98.6Very high97.4Very high0 Ų035 Ų350%021%0.206CC..EExtended strand (participates in β ladder)trans-114.4139.3176.4-170.80000111.9M20 I163 T164 N165 V237 A239M20-T209 HydrophobicContact CE-CG2 4.47Å; I163-T209 HydrophobicContact CG2-CG2 4.01Å; T164-T209 PolarHBondContact O-N 3.15Å; N165-T209 PolarHBondContact ND2-O 2.79Å; T209-V237 VanDerWaalsContact CA-O 3.29Å; T209-V237 WeakPolarHBondContact CA-O 3.31Å; T209-A239 WeakPolarHBondContact OG1-CA 3.4Å
210Y98.4Very high97.3Very high16 Ų1640 Ų406%0.06323%0.233CC..EExtended strand (participates in β ladder)trans-146.1159.6-174.961.9-84.3000112.3H208 E214 V237 R238 A239H208-Y210 AromaticContact CD2-CD1 3.6Å; H208-Y210 AromaticContact NE2-CD1 3.51Å; H208-Y210 AromaticContact NE2-CG 3.98Å; Y210-E214 HydrophobicContact CD2-CB 4.34Å; Y210-E214 VanDerWaalsContact CE2-O 3.29Å; Y210-E214 WeakPolarHBondContact CE2-O 3.23Å; Y210-V237 WeakPolarHBondContact CD1-O 3.44Å; Y210-V237 WeakPolarHBondContact CE1-O 3.45Å; Y210-V237 PolarHBondContact N-O 2.9Å; Y210-R238 HydrophobicContact CE1-CG 4.4Å; Y210-R238 HydrophobicContact CE2-CG 3.69Å; Y210-A239 WeakPolarHBondContact O-CB 3.33Å; Y210-A239 PolarHBondContact O-N 3.24Å
211P98.3Very high97.3Very high3 Ų338.9 Ų38.92%0.01923%0.225CC..  trans-58.1148.7-179.5-25.435.5000114E22 R25 L51 G213 E214E22-P211 HydrophobicContact CG-CG 4.06Å; R25-P211 HydrophobicContact CG-CB 4.28Å; L51-P211 HydrophobicContact CD1-CG 4.48Å; L51-P211 HydrophobicContact CD2-CG 4.24Å; P211-G213 PolarHBondContact O-N 2.92Å; P211-E214 HydrophobicContact CB-CG 4.35Å; P211-E214 WeakPolarHBondContact CD-OE2 3.39Å; P211-E214 PolarHBondContact O-N 3.25Å
212V96.4Very high97.1Very high41 Ų4141.8 Ų41.825%0.24825%0.25CC..THydrogen-bonded Turntrans-67.7134.2173.9-178.60000109.6C24 Q26 R238C24-V212 PolarHBondContact O-N 3.36Å; Q26-V212 HydrophobicContact CB-CG2 4.07Å; V212-R238 HydrophobicContact CG2-CB 4.32Å
213G94.1Very high96.9Very high74 Ų7446.9 Ų46.976%0.76327%0.272SS*.THydrogen-bonded Turntrans94.3-7.4179.900000114.3P211P211-G213 PolarHBondContact O-N 2.92Å
214E95.3Very high96.8Very high69 Ų6951 Ų5132%0.32229%0.29SS..SBendtrans-90.4154.6169-63.6-174.2171.800110.9R25 Y210 P211R25-E214 IonicContact CZ-OE1 3.69Å; R25-E214 IonicContact NH1-OE1 3.78Å; R25-E214 PolarHBondContact NH1-OE1 2.95Å; R25-E214 IonicContact NH2-OE1 2.75Å; R25-E214 PolarHBondContact NH2-OE1 3.4Å; Y210-E214 HydrophobicContact CD2-CB 4.34Å; Y210-E214 VanDerWaalsContact CE2-O 3.29Å; Y210-E214 WeakPolarHBondContact CE2-O 3.23Å; P211-E214 HydrophobicContact CB-CG 4.35Å; P211-E214 WeakPolarHBondContact CD-OE2 3.39Å; P211-E214 PolarHBondContact O-N 3.25Å
215D95Very high96.7Very high152 Ų15256.4 Ų56.481%0.81332%0.315SS*.PPolyproline II helixtrans-82.7142.3168.4-72.4-34.7000109.4
216S96.1Very high96.6Very high41 Ų4157.9 Ų57.929%0.28732%0.323SS..PPolyproline II helixtrans-72.9138-178.6-168.30000111.8H208 V218 S236H208-S216 PolarHBondContact CD2-OG 3.4Å; H208-S216 PolarHBondContact NE2-OG 3.46Å; S216-V218 VanDerWaalsContact C-N 3.33Å; S216-V218 PolarHBondContact OG-N 2.91Å; S216-V218 PolarHBondContact OG-O 3.28Å; S216-S236 WeakPolarHBondContact CB-OG 3.35Å; S216-S236 PolarHBondContact OG-OG 3.49Å
217L94.5Very high96.5Very high116 Ų11659 Ų5961%0.60733%0.331SS*.SBendtrans-88.9-4.1173.4-60.7175.9000112.7S168S168-L217 WeakPolarHBondContact CA-O 3.33Å
218V97.6Very high96.4Very high5 Ų564.7 Ų64.73%0.0337%0.368CS..SBendtrans-128.9135.5-177.8178.70000109.1A166 V172 H208 S216 V234 S236A166-V218 HydrophobicContact CB-CG2 4.06Å; V172-V218 HydrophobicContact CG2-CG1 3.78Å; V172-V218 HydrophobicContact CG2-CG2 4.04Å; H208-V218 HydrophobicContact CB-CB 4.02Å; H208-V218 HydrophobicContact CB-CG1 4.08Å; H208-V218 HydrophobicContact CB-CG2 4.18Å; S216-V218 VanDerWaalsContact C-N 3.33Å; S216-V218 PolarHBondContact OG-N 2.91Å; S216-V218 PolarHBondContact OG-O 3.28Å; V218-V234 HydrophobicContact CG1-CG1 3.9Å; V218-S236 WeakPolarHBondContact O-CB 3.26Å; V218-S236 PolarHBondContact O-OG 3.36Å
219S95.9Very high96.4Very high67 Ų6765.8 Ų65.847%0.46938%0.375SS..  trans-90148.3177.361.10000112.3D169D169-S219 PolarHBondContact OD1-N 3.49Å; D169-S219 PolarHBondContact OD1-OG 3.32Å
220D96.6Very high96.4Very high108 Ų10865.8 Ų65.858%0.57838%0.375SS*.  trans-62.6140.1169.8-77.1-55.1000110.2H235 S236D220-H235 VanDerWaalsContact OD1-CA 3.31Å; D220-H235 WeakPolarHBondContact OD1-CA 3.24Å; D220-S236 PolarHBondContact OD1-N 2.95Å
221R96.8Very high96.4Very high57 Ų5765.7 Ų65.722%0.21538%0.376CS..EExtended strand (participates in β ladder)trans-137.4123174.7-158.7-176.772.3-162.34.1110.7E176 S232 V234E176-R221 VanDerWaalsContact CD-NH1 3.31Å; E176-R221 IonicContact OE1-CZ 2.7Å; E176-R221 IonicContact OE1-NH1 3.16Å; E176-R221 PolarHBondContact OE1-NH1 3.01Å; E176-R221 IonicContact OE1-NH2 2.75Å; E176-R221 PolarHBondContact OE1-NH2 3.31Å; E176-R221 IonicContact OE2-CZ 2.75Å; E176-R221 VanDerWaalsContact OE2-CZ 3.29Å; E176-R221 IonicContact OE2-NH1 2.9Å; E176-R221 PolarHBondContact OE2-NH1 3.22Å; E176-R221 IonicContact OE2-NH2 3.82Å; E176-R221 PolarHBondContact OE2-NH2 2.95Å; R221-S232 PolarHBondContact NH2-OG 3.05Å; R221-V234 HydrophobicContact CB-CB 3.91Å; R221-V234 HydrophobicContact CB-CG2 4.17Å; R221-V234 PolarHBondContact N-O 3.35Å; R221-V234 PolarHBondContact O-N 3.22Å
222S94.8Very high96.4Very high101 Ų10165.6 Ų65.671%0.70638%0.376SS*.EExtended strand (participates in β ladder)trans-62.1166.9173.358.50000111.9K224S222-K224 PolarHBondContact O-N 2.9Å; S222-K224 VanDerWaalsContact O-N 3.17Å
223K95.1Very high96.5Very high108 Ų10864.2 Ų64.247%0.4737%0.366SS..EExtended strand (participates in β ladder)trans-50121177.5-68.2-176.3176.1-167.80111.4E203 T231 S232 E233E203-K223 WeakPolarHBondContact OE1-CE 3.37Å; E203-K223 IonicContact OE1-NZ 3.26Å; E203-K223 PolarHBondContact OE1-NZ 3.03Å; E203-K223 IonicContact OE2-NZ 2.79Å; K223-T231 HydrophobicContact CB-CG2 4.2Å; K223-S232 CarbonylContact C-O 3.54Å; K223-S232 WeakPolarHBondContact CA-O 3.29Å; K223-E233 WeakPolarHBondContact CE-OE2 3.26Å; K223-E233 HydrophobicContact CG-CB 3.9Å; K223-E233 HydrophobicContact CG-CG 4.23Å; K223-E233 VanDerWaalsContact CG-OE2 3.24Å; K223-E233 WeakPolarHBondContact CG-OE2 3.4Å
224K95.6Very high96.7Very high104 Ų10460.8 Ų60.845%0.45233%0.331SS..EExtended strand (participates in β ladder)trans-123.2126176.4-176.7-174.6172.4-163.30108.8S222 L226 S232S222-K224 PolarHBondContact O-N 2.9Å; S222-K224 VanDerWaalsContact O-N 3.17Å; K224-L226 HydrophobicContact CD-CD2 3.77Å; K224-L226 HydrophobicContact CG-CD2 4.05Å; K224-L226 PolarHBondContact O-N 3.49Å; K224-S232 PolarHBondContact N-O 3.32Å; K224-S232 PolarHBondContact O-N 3.28Å
225E97.2Very high96.8Very high112 Ų11258.3 Ų58.352%0.52332%0.319SS..EExtended strand (participates in β ladder)trans-70.9117.2169.6-66.7-72.6143.300108.7K201 T231K201-E225 IonicContact NZ-OE1 3.95Å; K201-E225 PolarHBondContact NZ-OE1 3.42Å; K201-E225 IonicContact NZ-OE2 3.24Å; K201-E225 PolarHBondContact NZ-OE2 3.12Å; E225-T231 WeakPolarHBondContact OE1-CG2 3.34Å; E225-T231 PolarHBondContact OE1-OG1 2.98Å; E225-T231 PolarHBondContact OE2-OG1 3.14Å
226L96.2Very high97Very high31 Ų3152.1 Ų52.116%0.16229%0.288CS..  trans-98.4-27.4178.1-59.6-177.7000111.9E176 Q180 K224 L230 S232E176-L226 HydrophobicContact CB-CD1 3.69Å; E176-L226 HydrophobicContact CG-CD1 4.1Å; Q180-L226 PolarHBondContact NE2-O 3.41Å; Q180-L226 VanDerWaalsContact NE2-O 3.07Å; K224-L226 HydrophobicContact CD-CD2 3.77Å; K224-L226 HydrophobicContact CG-CD2 4.05Å; K224-L226 PolarHBondContact O-N 3.49Å; L226-L230 HydrophobicContact CB-CD2 4.41Å; L226-L230 HydrophobicContact CB-CG 4.46Å; L226-L230 HydrophobicContact CD1-CD2 4.02Å; L226-L230 HydrophobicContact CD1-CG 4.4Å; L226-L230 PolarHBondContact N-O 3.25Å; L226-S232 VanDerWaalsContact CD1-CB 3.44Å
227S96.7Very high97.1Very high28 Ų2850.9 Ų50.920%0.19628%0.278CS..SBendtrans-154.5171.3172820000109.6V229 L230S227-V229 PolarHBondContact O-N 3.26Å; S227-V229 VanDerWaalsContact O-N 3.09Å; S227-V229 PolarHBondContact OG-N 3.48Å; S227-L230 PolarHBondContact N-O 3.46Å; S227-L230 VanDerWaalsContact N-O 3.1Å; S227-L230 PolarHBondContact O-N 3.4Å; S227-L230 PolarHBondContact OG-N 3.19Å
228P96.8Very high97.3Very high120 Ų12050.4 Ų50.478%0.77927%0.269SS*.SBendtrans-55.4-28.8174.2-25.535.2000113.3K201K201-P228 PolarHBondContact NZ-O 2.94Å; K201-P228 VanDerWaalsContact NZ-O 3.15Å
229V98.1Very high97.3Very high29 Ų2950.2 Ų50.218%0.17627%0.267CS..SBendtrans-91.7-41.2-180-179.30000111.6I183 I199 K201 C202 S227I183-V229 HydrophobicContact CG2-CB 4.39Å; I183-V229 HydrophobicContact CG2-CG1 3.78Å; I199-V229 HydrophobicContact CB-CG1 4.41Å; I199-V229 HydrophobicContact CG2-CG1 3.97Å; I199-V229 VanDerWaalsContact O-CG1 3.27Å; I199-V229 WeakPolarHBondContact O-CG1 3.21Å; K201-V229 CarbonylContact C-O 3.55Å; K201-V229 WeakPolarHBondContact CA-O 3.26Å; K201-V229 WeakPolarHBondContact CD-O 3.22Å; C202-V229 PolarHBondContact N-O 2.96Å; S227-V229 PolarHBondContact O-N 3.26Å; S227-V229 VanDerWaalsContact O-N 3.09Å; S227-V229 PolarHBondContact OG-N 3.48Å
230L98.6Very high97.4Very high0 Ų047.5 Ų47.50%025%0.25CS..EExtended strand (participates in β ladder)trans-105.8121.8-169.2-177.863.4000112.8V179 Q180 I183 C202 L204 L226 S227V179-L230 HydrophobicContact CB-CD2 4.43Å; V179-L230 HydrophobicContact CG1-CD1 4.35Å; V179-L230 HydrophobicContact CG1-CD2 4.01Å; Q180-L230 HydrophobicContact CB-CD2 3.84Å; Q180-L230 HydrophobicContact CG-CD2 4.36Å; I183-L230 HydrophobicContact CD1-CB 4.31Å; I183-L230 HydrophobicContact CD1-CD1 3.94Å; I183-L230 HydrophobicContact CD1-CD2 4.33Å; I183-L230 HydrophobicContact CD1-CG 4.42Å; C202-L230 HydrophobicContact CB-CD1 4.02Å; C202-L230 WeakPolarHBondContact O-CA 3.27Å; L204-L230 HydrophobicContact CB-CD1 3.77Å; L226-L230 HydrophobicContact CB-CD2 4.41Å; L226-L230 HydrophobicContact CB-CG 4.46Å; L226-L230 HydrophobicContact CD1-CD2 4.02Å; L226-L230 HydrophobicContact CD1-CG 4.4Å; L226-L230 PolarHBondContact N-O 3.25Å; S227-L230 PolarHBondContact N-O 3.46Å; S227-L230 VanDerWaalsContact N-O 3.1Å; S227-L230 PolarHBondContact O-N 3.4Å; S227-L230 PolarHBondContact OG-N 3.19Å
231T98.6Very high97.3Very high14 Ų1451.1 Ų51.19%0.08626%0.256CS..EExtended strand (participates in β ladder)trans-110.1134.9166.2-44.90000108.5K201 C202 E203 L204 K223 E225K201-T231 VanDerWaalsContact CE-OG1 3.26Å; K201-T231 WeakPolarHBondContact CE-OG1 3.32Å; K201-T231 PolarHBondContact NZ-OG1 3.32Å; C202-T231 PolarHBondContact O-N 3.12Å; E203-T231 CarbonylContact C-O 3.36Å; E203-T231 WeakPolarHBondContact CA-O 3.34Å; L204-T231 PolarHBondContact N-O 3.18Å; K223-T231 HydrophobicContact CB-CG2 4.2Å; E225-T231 WeakPolarHBondContact OE1-CG2 3.34Å; E225-T231 PolarHBondContact OE1-OG1 2.98Å; E225-T231 PolarHBondContact OE2-OG1 3.14Å
232S98.4Very high97.4Very high1 Ų152.2 Ų52.21%0.00726%0.263CS..EExtended strand (participates in β ladder)trans-125.9138.9-178.4171.50000112.4E176 L204 R221 K223 K224 L226E176-S232 PolarHBondContact OE1-OG 2.91Å; E176-S232 VanDerWaalsContact OE1-OG 3.14Å; L204-S232 CarbonylContact O-C 3.58Å; L204-S232 VanDerWaalsContact O-CA 3.26Å; L204-S232 WeakPolarHBondContact O-CA 3.47Å; R221-S232 PolarHBondContact NH2-OG 3.05Å; K223-S232 CarbonylContact C-O 3.54Å; K223-S232 WeakPolarHBondContact CA-O 3.29Å; K224-S232 PolarHBondContact N-O 3.32Å; K224-S232 PolarHBondContact O-N 3.28Å; L226-S232 VanDerWaalsContact CD1-CB 3.44Å
233E98.1Very high97.6Very high11 Ų1147.4 Ų47.45%0.05123%0.23CC..EExtended strand (participates in β ladder)trans-128.7151.1166.955.4171.9-150.100111.2L204 V205 L206 K223 H235L204-E233 PolarHBondContact O-N 3.26Å; V205-E233 HydrophobicContact CB-CG 4.35Å; V205-E233 HydrophobicContact CG1-CG 4.25Å; V205-E233 HydrophobicContact CG2-CG 4.01Å; L206-E233 PolarHBondContact N-O 2.97Å; K223-E233 WeakPolarHBondContact CE-OE2 3.26Å; K223-E233 HydrophobicContact CG-CB 3.9Å; K223-E233 HydrophobicContact CG-CG 4.23Å; K223-E233 VanDerWaalsContact CG-OE2 3.24Å; K223-E233 WeakPolarHBondContact CG-OE2 3.4Å; E233-H235 IonicContact OE1-CD2 3.44Å; E233-H235 IonicContact OE1-CE1 3.24Å; E233-H235 IonicContact OE1-NE2 3.63Å; E233-H235 PolarHBondContact OE1-NE2 3.22Å; E233-H235 IonicContact OE2-CE1 3.71Å; E233-H235 IonicContact OE2-NE2 3.59Å
234V98.6Very high97.7Very high3 Ų344.3 Ų44.32%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-125.9129.3-176.8-174.80000108.9V172 E176 L206 V218 R221V172-V234 HydrophobicContact CG1-CB 4.48Å; V172-V234 HydrophobicContact CG1-CG1 3.99Å; V172-V234 HydrophobicContact CG1-CG2 3.62Å; E176-V234 VanDerWaalsContact OE1-CG2 3.25Å; E176-V234 WeakPolarHBondContact OE1-CG2 3.49Å; L206-V234 HydrophobicContact CB-CG2 4.3Å; L206-V234 CarbonylContact O-C 3.54Å; L206-V234 VanDerWaalsContact O-CA 3.29Å; L206-V234 WeakPolarHBondContact O-CA 3.4Å; V218-V234 HydrophobicContact CG1-CG1 3.9Å; R221-V234 HydrophobicContact CB-CB 3.91Å; R221-V234 HydrophobicContact CB-CG2 4.17Å; R221-V234 PolarHBondContact N-O 3.35Å; R221-V234 PolarHBondContact O-N 3.22Å
235H98.5Very high97.8Very high17 Ų1743.2 Ų43.28%0.07923%0.226CC..EExtended strand (participates in β ladder)trans-119.8129.5177.1-55.9-74.6000110.1L206 I207 H208 D220 E233 K246L206-H235 PolarHBondContact O-N 3.42Å; I207-H235 CarbonylContact C-O 3.54Å; I207-H235 WeakPolarHBondContact CA-O 3.31Å; H208-H235 PolarHBondContact N-O 2.94Å; D220-H235 VanDerWaalsContact OD1-CA 3.31Å; D220-H235 WeakPolarHBondContact OD1-CA 3.24Å; E233-H235 IonicContact OE1-CD2 3.44Å; E233-H235 IonicContact OE1-CE1 3.24Å; E233-H235 IonicContact OE1-NE2 3.63Å; E233-H235 PolarHBondContact OE1-NE2 3.22Å; E233-H235 IonicContact OE2-CE1 3.71Å; E233-H235 IonicContact OE2-NE2 3.59Å; H235-K246 PolarHBondContact CE1-NZ 3.31Å; H235-K246 WeakPolarHBondContact ND1-CE 3.44Å; H235-K246 PolarHBondContact ND1-NZ 2.96Å
236S98.3Very high97.8Very high21 Ų2140.1 Ų40.115%0.14721%0.211CC..EExtended strand (participates in β ladder)trans-107.7105.3178.4-169.10000108.7S216 V218 D220S216-S236 WeakPolarHBondContact CB-OG 3.35Å; S216-S236 PolarHBondContact OG-OG 3.49Å; V218-S236 WeakPolarHBondContact O-CB 3.26Å; V218-S236 PolarHBondContact O-OG 3.36Å; D220-S236 PolarHBondContact OD1-N 2.95Å
237V98.2Very high97.9Very high16 Ų1638.7 Ų38.710%0.09720%0.203CC..EExtended strand (participates in β ladder)trans-135.6138.2-168.666.80000111.8I207 H208 T209 Y210 H242 L243 K246I207-V237 HydrophobicContact CG2-CG1 3.56Å; H208-V237 PolarHBondContact O-N 3.45Å; T209-V237 VanDerWaalsContact CA-O 3.29Å; T209-V237 WeakPolarHBondContact CA-O 3.31Å; Y210-V237 WeakPolarHBondContact CD1-O 3.44Å; Y210-V237 WeakPolarHBondContact CE1-O 3.45Å; Y210-V237 PolarHBondContact N-O 2.9Å; V237-H242 HydrophobicContact CG2-CB 3.86Å; V237-H242 WeakPolarHBondContact CG2-O 3.34Å; V237-L243 HydrophobicContact CG1-CB 4.38Å; V237-L243 HydrophobicContact CG1-CD1 3.55Å; V237-K246 HydrophobicContact CG2-CB 4.12Å
238R98.5Very high98Very high106 Ų10638.5 Ų38.540%0.420%0.2SC..EExtended strand (participates in β ladder)trans-64.9145.1172.7-63.6178.6-173.688.32.9110.1Y210 V212 H242 L243Y210-R238 HydrophobicContact CE1-CG 4.4Å; Y210-R238 HydrophobicContact CE2-CG 3.69Å; V212-R238 HydrophobicContact CG2-CB 4.32Å; R238-H242 HydrophobicContact CB-CB 4.22Å; R238-H242 WeakPolarHBondContact O-CB 3.24Å; R238-L243 PolarHBondContact O-N 3.02Å; R238-L243 VanDerWaalsContact O-N 3.1Å
239A98.3Very high98Very high0 Ų035 Ų350%018%0.175CC..THydrogen-bonded Turntrans-65174.7174.100000112.9C24 L51 C54 T209 Y210C24-A239 HydrophobicContact CB-CB 3.65Å; L51-A239 HydrophobicContact CD2-CB 3.46Å; L51-A239 VanDerWaalsContact CD2-CB 3.46Å; C54-A239 HydrophobicContact CB-CB 4.3Å; T209-A239 WeakPolarHBondContact OG1-CA 3.4Å; Y210-A239 WeakPolarHBondContact O-CB 3.33Å; Y210-A239 PolarHBondContact O-N 3.24Å
240G97Very high98Very high11 Ų1133.7 Ų33.711%0.11317%0.166CC..THydrogen-bonded Turntrans71.1-133-177.600000112.1C54 H242 L243 A244C54-G240 PolarHBondContact SG-N 3.11Å; C54-G240 VanDerWaalsContact SG-N 3.4Å; G240-H242 VanDerWaalsContact C-N 3.27Å; G240-H242 PolarHBondContact O-N 3Å; G240-L243 PolarHBondContact O-N 3.08Å; G240-A244 PolarHBondContact O-N 3.02Å
241R95.9Very high98Very high184 Ų18433.7 Ų33.769%0.69417%0.166SC*.Hα-helixtrans-55.9-36.9-173.1-66.5-169-66.9151.5-1114.1A244 T245R241-A244 PolarHBondContact O-N 3.35Å; R241-T245 PolarHBondContact O-N 3.23Å; R241-T245 PolarHBondContact O-OG1 3.19Å
242H97.9Very high98Very high80 Ų8034.2 Ų34.237%0.3717%0.168SC..Hα-helixtrans-70.5-39.2-176.1-51.184.7000112.1V237 R238 G240 T245 K246V237-H242 HydrophobicContact CG2-CB 3.86Å; V237-H242 WeakPolarHBondContact CG2-O 3.34Å; R238-H242 HydrophobicContact CB-CB 4.22Å; R238-H242 WeakPolarHBondContact O-CB 3.24Å; G240-H242 VanDerWaalsContact C-N 3.27Å; G240-H242 PolarHBondContact O-N 3Å; H242-T245 PolarHBondContact O-N 3.16Å; H242-K246 WeakPolarHBondContact O-CB 3.49Å; H242-K246 PolarHBondContact O-N 2.99Å
243L98.5Very high97.9Very high0 Ų039.3 Ų39.30%019%0.191CC..Hα-helixtrans-62.3-45.2174.2179.562.5000111C54 I163 I207 V237 R238 G240 T245 K246 L247C54-L243 HydrophobicContact CB-CD2 4.31Å; I163-L243 HydrophobicContact CG2-CD2 4.47Å; I207-L243 HydrophobicContact CG2-CD1 3.63Å; V237-L243 HydrophobicContact CG1-CB 4.38Å; V237-L243 HydrophobicContact CG1-CD1 3.55Å; R238-L243 PolarHBondContact O-N 3.02Å; R238-L243 VanDerWaalsContact O-N 3.1Å; G240-L243 PolarHBondContact O-N 3.08Å; L243-T245 PolarHBondContact O-N 2.81Å; L243-K246 WeakPolarHBondContact O-CB 3.34Å; L243-K246 PolarHBondContact O-N 3.13Å; L243-K246 VanDerWaalsContact O-N 3.14Å; L243-L247 HydrophobicContact CD1-CD1 3.61Å; L243-L247 HydrophobicContact CG-CD1 4.2Å; L243-L247 WeakPolarHBondContact O-CD1 3.43Å; L243-L247 PolarHBondContact O-N 3.44Å
244A97.7Very high97.9Very high42 Ų4239 Ų3935%0.34719%0.19SC..Hα-helixtrans-60.8-45.6176.300000111.8S58 G240 R241 K246 L247 N248S58-A244 WeakPolarHBondContact OG-CA 3.19Å; S58-A244 PolarHBondContact OG-N 2.94Å; G240-A244 PolarHBondContact O-N 3.02Å; R241-A244 PolarHBondContact O-N 3.35Å; A244-K246 VanDerWaalsContact C-N 3.29Å; A244-K246 PolarHBondContact O-N 2.79Å; A244-L247 PolarHBondContact O-N 3.45Å; A244-N248 WeakPolarHBondContact O-CB 3.34Å; A244-N248 PolarHBondContact O-N 3.43Å
245T97.1Very high97.8Very high81 Ų8139.1 Ų39.150%0.49719%0.19SC..Hα-helixtrans-58.4-41.2173.6-58.80000111.7R241 H242 L243 N248 I249R241-T245 PolarHBondContact O-N 3.23Å; R241-T245 PolarHBondContact O-OG1 3.19Å; H242-T245 PolarHBondContact O-N 3.16Å; L243-T245 PolarHBondContact O-N 2.81Å; T245-N248 WeakPolarHBondContact O-CB 3.44Å; T245-N248 PolarHBondContact O-N 3.42Å; T245-I249 HydrophobicContact CG2-CD1 4.21Å; T245-I249 WeakPolarHBondContact O-CG1 3.28Å; T245-I249 PolarHBondContact O-N 3.33Å
246K98.2Very high97.7Very high48 Ų4842.1 Ų42.121%0.20921%0.207CC..Hα-helixtrans-64-46.1179.2-177.759175.4-168.10111.7H235 V237 H242 L243 A244 N248 I249 L250H235-K246 PolarHBondContact CE1-NZ 3.31Å; H235-K246 WeakPolarHBondContact ND1-CE 3.44Å; H235-K246 PolarHBondContact ND1-NZ 2.96Å; V237-K246 HydrophobicContact CG2-CB 4.12Å; H242-K246 WeakPolarHBondContact O-CB 3.49Å; H242-K246 PolarHBondContact O-N 2.99Å; L243-K246 WeakPolarHBondContact O-CB 3.34Å; L243-K246 PolarHBondContact O-N 3.13Å; L243-K246 VanDerWaalsContact O-N 3.14Å; A244-K246 VanDerWaalsContact C-N 3.29Å; A244-K246 PolarHBondContact O-N 2.79Å; K246-N248 VanDerWaalsContact C-N 3.31Å; K246-N248 PolarHBondContact O-N 2.71Å; K246-I249 PolarHBondContact O-N 2.95Å; K246-L250 HydrophobicContact CG-CD1 4.19Å; K246-L250 WeakPolarHBondContact O-CG 3.43Å; K246-L250 PolarHBondContact O-N 3.19Å
247L98.6Very high97.6Very high1 Ų141.9 Ų41.91%0.00520%0.204CC..Hα-helixtrans-67.2-32.3177-88.774.5000112.2F12 S58 Y62 I163 I207 L243 A244 I249 L250 V251F12-L247 HydrophobicContact CE1-CD2 4.19Å; S58-L247 VanDerWaalsContact C-CD2 3.46Å; S58-L247 WeakPolarHBondContact O-CD2 3.37Å; Y62-L247 HydrophobicContact CD2-CB 4.34Å; Y62-L247 WeakPolarHBondContact CD2-O 3.25Å; I163-L247 HydrophobicContact CD1-CD2 3.95Å; I207-L247 HydrophobicContact CD1-CD1 3.63Å; I207-L247 HydrophobicContact CD1-CG 4.37Å; L243-L247 HydrophobicContact CD1-CD1 3.61Å; L243-L247 HydrophobicContact CG-CD1 4.2Å; L243-L247 WeakPolarHBondContact O-CD1 3.43Å; L243-L247 PolarHBondContact O-N 3.44Å; A244-L247 PolarHBondContact O-N 3.45Å; L247-I249 VanDerWaalsContact C-N 3.32Å; L247-I249 PolarHBondContact O-N 3.07Å; L247-L250 PolarHBondContact O-N 3.41Å; L247-V251 PolarHBondContact O-N 2.67Å
248N97.6Very high97.5Very high23 Ų2342 Ų4212%0.12321%0.207CC..Hα-helixtrans-64-34.7171.8-175.1-89000112.8A244 T245 K246 V251 Q252A244-N248 WeakPolarHBondContact O-CB 3.34Å; A244-N248 PolarHBondContact O-N 3.43Å; T245-N248 WeakPolarHBondContact O-CB 3.44Å; T245-N248 PolarHBondContact O-N 3.42Å; K246-N248 VanDerWaalsContact C-N 3.31Å; K246-N248 PolarHBondContact O-N 2.71Å; N248-V251 VanDerWaalsContact O-CG1 3.24Å; N248-V251 WeakPolarHBondContact O-CG1 3.27Å; N248-Q252 WeakPolarHBondContact O-CG 3.49Å; N248-Q252 PolarHBondContact O-NE2 2.77Å; N248-Q252 PolarHBondContact OD1-NE2 2.91Å; N248-Q252 VanDerWaalsContact OD1-NE2 3.1Å
249I97.3Very high97.5Very high48 Ų4837 Ų3725%0.24619%0.188CC..Hα-helixtrans-72.8-43.9172.8-67.2165000110.3T245 K246 L247 V251 Q252 Q253T245-I249 HydrophobicContact CG2-CD1 4.21Å; T245-I249 WeakPolarHBondContact O-CG1 3.28Å; T245-I249 PolarHBondContact O-N 3.33Å; K246-I249 PolarHBondContact O-N 2.95Å; L247-I249 VanDerWaalsContact C-N 3.32Å; L247-I249 PolarHBondContact O-N 3.07Å; I249-V251 PolarHBondContact O-N 3.32Å; I249-Q252 WeakPolarHBondContact O-CB 3.29Å; I249-Q252 PolarHBondContact O-N 2.91Å; I249-Q253 PolarHBondContact O-N 3.32Å; I249-Q253 VanDerWaalsContact O-N 3.11Å
250L98.3Very high97.4Very high0 Ų037.1 Ų37.10%019%0.189CC..Hα-helixtrans-61.6-42.4179.8-71.7172.1000111.5Y62 V205 I207 K246 L247 Q252 Q253 H254Y62-L250 HydrophobicContact CE2-CB 4.37Å; V205-L250 HydrophobicContact CG1-CD1 4.02Å; V205-L250 HydrophobicContact CG1-CD2 4.46Å; I207-L250 HydrophobicContact CD1-CD1 3.65Å; K246-L250 HydrophobicContact CG-CD1 4.19Å; K246-L250 WeakPolarHBondContact O-CG 3.43Å; K246-L250 PolarHBondContact O-N 3.19Å; L247-L250 PolarHBondContact O-N 3.41Å; L250-Q252 PolarHBondContact O-N 2.83Å; L250-Q253 PolarHBondContact O-N 3.35Å; L250-Q253 VanDerWaalsContact O-N 3.17Å; L250-H254 WeakPolarHBondContact O-CB 3.43Å; L250-H254 PolarHBondContact O-CD2 2.8Å; L250-H254 PolarHBondContact O-N 3.35Å
251V98.5Very high97.3Very high0 Ų037.6 Ų37.60%019%0.189CC..Hα-helixtrans-59.5-36.6177.571.60000111.5Y62 I65 L247 N248 I249 H254 F255 L257Y62-V251 HydrophobicContact CD1-CG2 4.24Å; Y62-V251 HydrophobicContact CD2-CB 3.51Å; Y62-V251 HydrophobicContact CD2-CG2 4.07Å; Y62-V251 HydrophobicContact CE1-CB 4.5Å; Y62-V251 HydrophobicContact CE1-CG2 4.1Å; Y62-V251 HydrophobicContact CE2-CB 3.41Å; Y62-V251 VanDerWaalsContact CE2-CB 3.41Å; Y62-V251 HydrophobicContact CE2-CG2 3.91Å; Y62-V251 HydrophobicContact CG-CB 4.06Å; Y62-V251 HydrophobicContact CG-CG2 4.19Å; I65-V251 HydrophobicContact CB-CG1 4.49Å; I65-V251 HydrophobicContact CB-CG2 4.42Å; I65-V251 HydrophobicContact CD1-CG1 4.12Å; I65-V251 HydrophobicContact CG2-CG1 4.06Å; I65-V251 HydrophobicContact CG2-CG2 4.11Å; L247-V251 PolarHBondContact O-N 2.67Å; N248-V251 VanDerWaalsContact O-CG1 3.24Å; N248-V251 WeakPolarHBondContact O-CG1 3.27Å; I249-V251 PolarHBondContact O-N 3.32Å; V251-H254 PolarHBondContact O-N 3.08Å; V251-F255 HydrophobicContact CG2-CD2 3.8Å; V251-F255 HydrophobicContact CG2-CE2 4.13Å; V251-F255 WeakPolarHBondContact O-CD2 3.16Å; V251-F255 PolarHBondContact O-N 2.95Å; V251-L257 HydrophobicContact CG1-CD1 4.47Å; V251-L257 HydrophobicContact CG2-CD1 4.24Å
252Q97.9Very high97.3Very high25 Ų2528.8 Ų28.812%0.11716%0.156CC..Hα-helixtrans-66.3-46176.7-65.3172.662.600112.1N248 I249 L250 H254 D256 L257 L284N248-Q252 WeakPolarHBondContact O-CG 3.49Å; N248-Q252 PolarHBondContact O-NE2 2.77Å; N248-Q252 PolarHBondContact OD1-NE2 2.91Å; N248-Q252 VanDerWaalsContact OD1-NE2 3.1Å; I249-Q252 WeakPolarHBondContact O-CB 3.29Å; I249-Q252 PolarHBondContact O-N 2.91Å; L250-Q252 PolarHBondContact O-N 2.83Å; Q252-H254 VanDerWaalsContact C-N 3.34Å; Q252-H254 PolarHBondContact O-N 3.48Å; Q252-D256 WeakPolarHBondContact O-CA 3.29Å; Q252-D256 PolarHBondContact O-N 3.12Å; Q252-L257 HydrophobicContact CB-CB 4.09Å; Q252-L257 HydrophobicContact CG-CB 4.04Å; Q252-L257 HydrophobicContact CG-CD1 4.45Å; Q252-L257 PolarHBondContact O-N 3.32Å; Q252-L284 HydrophobicContact CG-CD1 4.05Å; Q252-L284 HydrophobicContact CG-CD2 3.88Å
253Q96.5Very high97.1Very high108 Ų10825.6 Ų25.651%0.50514%0.142SC..Hα-helixtrans-66.7-38.3177.6-65.9176.5-6.700112.2I249 L250 F255I249-Q253 PolarHBondContact O-N 3.32Å; I249-Q253 VanDerWaalsContact O-N 3.11Å; L250-Q253 PolarHBondContact O-N 3.35Å; L250-Q253 VanDerWaalsContact O-N 3.17Å; Q253-F255 VanDerWaalsContact C-N 3.31Å; Q253-F255 PolarHBondContact O-N 3.41Å
254H97.9Very high96.7Very high6 Ų629 Ų293%0.02816%0.16CC..Hα-helixtrans-70-28-174.3-76.5-173000113.3S7 Y62 R159 L250 V251 Q252S7-H254 WeakPolarHBondContact CB-O 3.42Å; Y62-H254 AromaticContact CE2-ND1 3.75Å; Y62-H254 AromaticContact CZ-ND1 3.65Å; Y62-H254 WeakPolarHBondContact OH-CB 3.45Å; Y62-H254 VanDerWaalsContact OH-CG 3.3Å; Y62-H254 PolarHBondContact OH-ND1 3.1Å; R159-H254 WeakPolarHBondContact CD-CE1 3.29Å; R159-H254 WeakPolarHBondContact CD-ND1 3.32Å; R159-H254 PolarHBondContact NH1-O 3.32Å; L250-H254 WeakPolarHBondContact O-CB 3.43Å; L250-H254 PolarHBondContact O-CD2 2.8Å; L250-H254 PolarHBondContact O-N 3.35Å; V251-H254 PolarHBondContact O-N 3.08Å; Q252-H254 VanDerWaalsContact C-N 3.34Å; Q252-H254 PolarHBondContact O-N 3.48Å
255F97.3Very high96.3Very high5 Ų527.2 Ų27.22%0.02215%0.145CC..THydrogen-bonded Turntrans-126.418.1-176-62.6-80.7000114.2Y62 M66 F70 K74 V251 Q253 L257Y62-F255 AromaticContact CE1-CE2 3.71Å; Y62-F255 HydrophobicContact CE1-CE2 3.71Å; Y62-F255 HydrophobicContact CE1-CZ 4.45Å; Y62-F255 AromaticContact CZ-CE2 3.69Å; Y62-F255 WeakPolarHBondContact OH-CE2 3.44Å; M66-F255 HydrophobicContact CB-CE2 4.23Å; M66-F255 HydrophobicContact CG-CD1 4.49Å; M66-F255 HydrophobicContact CG-CD2 4.26Å; M66-F255 HydrophobicContact CG-CE1 3.94Å; M66-F255 HydrophobicContact CG-CE2 3.65Å; M66-F255 HydrophobicContact CG-CZ 3.53Å; M66-F255 HydrophobicContact SD-CE1 3.92Å; M66-F255 HydrophobicContact SD-CE2 3.79Å; M66-F255 HydrophobicContact SD-CZ 3.25Å; M66-F255 WeakPolarHBondContact SD-CZ 3.41Å; F70-F255 HydrophobicContact CD2-CB 4.45Å; F70-F255 HydrophobicContact CD2-CD1 4.19Å; F70-F255 HydrophobicContact CD2-CG 4.42Å; F70-F255 HydrophobicContact CE2-CB 3.56Å; F70-F255 HydrophobicContact CE2-CD1 4.01Å; F70-F255 AromaticContact CE2-CG 3.97Å; F70-F255 HydrophobicContact CE2-CG 3.97Å; F70-F255 HydrophobicContact CZ-CB 4.07Å; K74-F255 HydrophobicContact CB-CE1 4.07Å; K74-F255 HydrophobicContact CD-CD1 4.15Å; K74-F255 HydrophobicContact CD-CE1 3.92Å; K74-F255 HydrophobicContact CG-CD1 4.31Å; K74-F255 HydrophobicContact CG-CE1 4.08Å; V251-F255 HydrophobicContact CG2-CD2 3.8Å; V251-F255 HydrophobicContact CG2-CE2 4.13Å; V251-F255 WeakPolarHBondContact O-CD2 3.16Å; V251-F255 PolarHBondContact O-N 2.95Å; Q253-F255 VanDerWaalsContact C-N 3.31Å; Q253-F255 PolarHBondContact O-N 3.41Å; F255-L257 VanDerWaalsContact C-N 3.28Å; F255-L257 HydrophobicContact CB-CD2 4.05Å; F255-L257 HydrophobicContact CB-CG 4.04Å; F255-L257 PolarHBondContact O-N 3.31Å
256D96.4Very high95.7Very high79 Ų7926.8 Ų26.842%0.42214%0.144SC..THydrogen-bonded Turntrans54.744.3178.3-72.6-56000112.6Q252 K287Q252-D256 WeakPolarHBondContact O-CA 3.29Å; Q252-D256 PolarHBondContact O-N 3.12Å; D256-K287 HydrophobicContact CB-CD 3.86Å; D256-K287 HydrophobicContact CB-CG 4.28Å; D256-K287 VanDerWaalsContact CG-NZ 3.26Å; D256-K287 VanDerWaalsContact O-CB 3.28Å; D256-K287 WeakPolarHBondContact O-CB 3.2Å; D256-K287 WeakPolarHBondContact O-CG 3.45Å; D256-K287 PolarHBondContact O-N 3.18Å; D256-K287 IonicContact OD1-NZ 3.86Å; D256-K287 PolarHBondContact OD1-NZ 2.85Å; D256-K287 IonicContact OD2-NZ 3.62Å
257L97.3Very high94.5Very high16 Ų1625.1 Ų25.18%0.08414%0.137CC..EExtended strand (participates in β ladder)trans-85.6151.8179.2-47.5179.1000111.4I65 I69 F70 V251 Q252 F255 L284 H285I65-L257 HydrophobicContact CG2-CD1 4Å; I69-L257 HydrophobicContact CD1-CD1 3.68Å; I69-L257 HydrophobicContact CD1-CD2 3.77Å; I69-L257 HydrophobicContact CD1-CG 4.34Å; I69-L257 HydrophobicContact CG2-CD2 4.06Å; F70-L257 HydrophobicContact CE2-CD2 3.79Å; F70-L257 HydrophobicContact CZ-CD2 4.01Å; V251-L257 HydrophobicContact CG1-CD1 4.47Å; V251-L257 HydrophobicContact CG2-CD1 4.24Å; Q252-L257 HydrophobicContact CB-CB 4.09Å; Q252-L257 HydrophobicContact CG-CB 4.04Å; Q252-L257 HydrophobicContact CG-CD1 4.45Å; Q252-L257 PolarHBondContact O-N 3.32Å; F255-L257 VanDerWaalsContact C-N 3.28Å; F255-L257 HydrophobicContact CB-CD2 4.05Å; F255-L257 HydrophobicContact CB-CG 4.04Å; F255-L257 PolarHBondContact O-N 3.31Å; L257-L284 HydrophobicContact CD1-CB 4.43Å; L257-H285 CarbonylContact C-O 3.58Å; L257-H285 WeakPolarHBondContact CA-O 3.44Å; L257-H285 WeakPolarHBondContact CB-O 3.35Å
258A96.1Very high93.1Very high19 Ų1933.7 Ų33.716%0.15717%0.174CC..EExtended strand (participates in β ladder)trans-117.9162167.200000110.1L284 H285 K287A258-L284 WeakPolarHBondContact O-CA 3.4Å; A258-H285 PolarHBondContact N-O 3.17Å; A258-H285 PolarHBondContact O-N 2.96Å; A258-H285 VanDerWaalsContact O-N 3.12Å; A258-K287 HydrophobicContact CB-CB 4.06Å
259S96.5Very high91.5Very high2 Ų235.3 Ų35.31%0.01418%0.181CC..EExtended strand (participates in β ladder)trans-108.5132.7176.3170.90000110.9E282 L283 T313 I314S259-E282 VanDerWaalsContact OG-CG 3.23Å; S259-E282 WeakPolarHBondContact OG-CG 3.34Å; S259-E282 PolarHBondContact OG-OE1 3.43Å; S259-L283 WeakPolarHBondContact CA-O 3.44Å; S259-T313 WeakPolarHBondContact O-CA 3.41Å; S259-T313 PolarHBondContact O-OG1 3.4Å; S259-T313 VanDerWaalsContact OG-CB 3.32Å; S259-T313 WeakPolarHBondContact OG-CB 3.33Å; S259-T313 PolarHBondContact OG-OG1 3.38Å; S259-I314 PolarHBondContact O-N 3.25Å
260T96.3Very high89.6Confident1 Ų140.8 Ų40.81%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-117.4124.7166.7-68.60000109.8I262 E282 L283 H285 H290 I314 L316T260-I262 HydrophobicContact CG2-CG1 4.22Å; T260-E282 WeakPolarHBondContact O-CA 3.46Å; T260-L283 PolarHBondContact N-O 2.96Å; T260-L283 PolarHBondContact O-N 3.07Å; T260-H285 PolarHBondContact OG1-NE2 2.93Å; T260-H290 PolarHBondContact OG1-CE1 2.92Å; T260-H290 PolarHBondContact OG1-NE2 2.8Å; T260-I314 CarbonylContact C-O 3.53Å; T260-I314 VanDerWaalsContact CA-O 3.31Å; T260-I314 WeakPolarHBondContact CA-O 3.28Å; T260-L316 HydrophobicContact CG2-CB 4.36Å; T260-L316 HydrophobicContact CG2-CD1 3.78Å; T260-L316 HydrophobicContact CG2-CG 4.04Å
261T96.2Very high87.4Confident21 Ų2149.2 Ų49.213%0.12925%0.245CC..EExtended strand (participates in β ladder)trans-99117.7170.4-54.90000110T263 D280 V281 T313 I314 T315 L316T261-T263 HydrophobicContact CG2-CG2 4.32Å; T261-D280 HydrophobicContact CG2-CB 3.98Å; T261-V281 CarbonylContact C-O 3.52Å; T261-V281 WeakPolarHBondContact CA-O 3.41Å; T261-T313 PolarHBondContact N-OG1 2.91Å; T261-T313 WeakPolarHBondContact OG1-CG2 3.25Å; T261-T313 PolarHBondContact OG1-OG1 2.95Å; T261-I314 PolarHBondContact N-O 3.09Å; T261-T315 CarbonylContact O-C 3.6Å; T261-T315 WeakPolarHBondContact O-CA 3.37Å; T261-L316 PolarHBondContact O-N 2.94Å
262I95.6Very high85.2Confident0 Ų054.9 Ų54.90%027%0.271CS..EExtended strand (participates in β ladder)trans-93.2123177.5-57.3161.4000108.6T260 I265 D280 V281 L283 L316 L350 L362 L377T260-I262 HydrophobicContact CG2-CG1 4.22Å; I262-I265 HydrophobicContact CB-CD1 4.27Å; I262-I265 HydrophobicContact CG2-CD1 4.02Å; I262-I265 HydrophobicContact CG2-CG1 3.9Å; I262-D280 CarbonylContact O-C 3.6Å; I262-D280 WeakPolarHBondContact O-CA 3.39Å; I262-V281 PolarHBondContact N-O 3.4Å; I262-V281 PolarHBondContact O-N 3.12Å; I262-L283 HydrophobicContact CD1-CD1 3.46Å; I262-L283 VanDerWaalsContact CD1-CD1 3.46Å; I262-L283 HydrophobicContact CD1-CG 3.94Å; I262-L316 CarbonylContact C-O 3.49Å; I262-L316 VanDerWaalsContact CA-O 3.26Å; I262-L316 WeakPolarHBondContact CA-O 3.44Å; I262-L350 HydrophobicContact CB-CD1 4.42Å; I262-L350 HydrophobicContact CD1-CD1 3.77Å; I262-L350 HydrophobicContact CG2-CD1 4.17Å; I262-L362 HydrophobicContact CG1-CD2 4.39Å; I262-L362 HydrophobicContact CG2-CD2 3.97Å; I262-L377 HydrophobicContact CD1-CD1 3.37Å
263T93.3Very high83.1Confident13 Ų1357.8 Ų57.88%0.0830%0.3CS..EExtended strand (participates in β ladder)trans-112.1171.3-178.279.60000111.9T261 I265 D280 T315 L316 K317 W318T261-T263 HydrophobicContact CG2-CG2 4.32Å; T263-I265 PolarHBondContact O-N 3.33Å; T263-D280 VanDerWaalsContact CA-OD1 3.23Å; T263-D280 WeakPolarHBondContact CA-OD1 3.43Å; T263-D280 WeakPolarHBondContact CB-OD1 3.29Å; T263-D280 WeakPolarHBondContact CG2-OD1 3.31Å; T263-T315 HydrophobicContact CG2-CG2 3.4Å; T263-T315 VanDerWaalsContact CG2-CG2 3.4Å; T263-L316 PolarHBondContact N-O 3.21Å; T263-K317 WeakPolarHBondContact OG1-CG 3.48Å; T263-W318 WeakPolarHBondContact O-CB 3.41Å; T263-W318 PolarHBondContact O-N 3.15Å
264N90.3Very high81.1Confident70 Ų7060.5 Ų60.537%0.37432%0.318SS..EExtended strand (participates in β ladder)trans6131.9176.3-60.927.6000112.8P266N264-P266 VanDerWaalsContact O-CD 3.25Å; N264-P266 WeakPolarHBondContact O-CD 3.43Å
265I90Very high78.8Confident5 Ų563.5 Ų63.53%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-71.7115.3176.9-58165000107.8I262 T263 M267 Y279 V281 W318 L350I262-I265 HydrophobicContact CB-CD1 4.27Å; I262-I265 HydrophobicContact CG2-CD1 4.02Å; I262-I265 HydrophobicContact CG2-CG1 3.9Å; T263-I265 PolarHBondContact O-N 3.33Å; I265-M267 HydrophobicContact CG2-CG 4.22Å; I265-M267 PolarHBondContact O-N 2.73Å; I265-Y279 PolarHBondContact N-O 3.41Å; I265-V281 HydrophobicContact CD1-CB 3.71Å; I265-V281 HydrophobicContact CD1-CG2 3.42Å; I265-V281 VanDerWaalsContact CD1-CG2 3.42Å; I265-W318 HydrophobicContact CG1-CE3 4.08Å; I265-W318 HydrophobicContact CG2-CE3 4.19Å; I265-W318 HydrophobicContact CG2-CZ3 4.27Å; I265-L350 HydrophobicContact CD1-CD1 3.51Å; I265-L350 HydrophobicContact CG1-CD1 4.14Å
266P83.9Confident76.8Confident72 Ų7267.7 Ų67.747%0.46837%0.366SS..EExtended strand (participates in β ladder)trans-76.3119.3-17730.1-32.3000110.1N264N264-P266 VanDerWaalsContact O-CD 3.25Å; N264-P266 WeakPolarHBondContact O-CD 3.43Å
267M74.1Confident75.2Confident13 Ų1365.2 Ų65.26%0.06436%0.356CS..EExtended strand (participates in β ladder)trans-125.2145.8177.9-63.8-178.560.300111.2I265 Y279 R345 P346 C349I265-M267 HydrophobicContact CG2-CG 4.22Å; I265-M267 PolarHBondContact O-N 2.73Å; M267-Y279 HydrophobicContact CB-CD2 3.96Å; M267-Y279 HydrophobicContact CB-CE2 4.06Å; M267-Y279 HydrophobicContact CE-CD2 4.47Å; M267-Y279 HydrophobicContact CG-CD2 3.99Å; M267-Y279 HydrophobicContact SD-CD2 3.41Å; M267-Y279 WeakPolarHBondContact SD-CD2 3.31Å; M267-Y279 HydrophobicContact SD-CE2 4.1Å; M267-Y279 HydrophobicContact SD-CG 3.87Å; M267-R345 HydrophobicContact CE-CG 3.81Å; M267-P346 HydrophobicContact SD-CB 4.22Å; M267-C349 HydrophobicContact CE-CB 3.66Å; M267-C349 WeakPolarHBondContact CE-SG 3.14Å; M267-C349 HydrophobicContact SD-CB 4.2Å
268K67.9Low74.2Confident181 Ų18169.3 Ų69.379%0.78738%0.378SS*.EExtended strand (participates in β ladder)trans-85.5129.9169.1-69.5-174.1179-177.20109.6R345K268-R345 PolarHBondContact O-NH2 3.34Å; K268-R345 VanDerWaalsContact O-NH2 3.17Å
269E63.3Low73.6Confident57 Ų5771.9 Ų71.927%0.26639%0.385SS..  trans-81135.5172.4-66.2-172.4152.300110.7T275 A277E269-T275 PolarHBondContact OE2-OG1 3.39Å; E269-A277 HydrophobicContact CG-CB 4.43Å; E269-A277 VanDerWaalsContact OE1-CB 3.23Å; E269-A277 WeakPolarHBondContact OE1-CB 3.1Å
270E57.4Low73.4Confident163 Ų16376.4 Ų76.476%0.76241%0.409SS*.SBendtrans-71-30.5-178.2-89.1171.6152.900113.2R345E270-R345 IonicContact OE2-CZ 3.33Å; E270-R345 IonicContact OE2-NH1 2.74Å; E270-R345 PolarHBondContact OE2-NH1 3.42Å; E270-R345 IonicContact OE2-NH2 3.08Å
271Q52.3Low73.4Confident178 Ų17876.4 Ų76.483%0.83241%0.409SS*.SBendtrans-90.4-21.8-177.1-67.8-175.2-6.400112.7
272H54Low73.5Confident118 Ų11877.3 Ų77.355%0.54641%0.412SS..  trans-136.881.6-178.7-63.6-17.4000110.1N274 T275H272-N274 PolarHBondContact O-N 3.1Å; H272-T275 WeakPolarHBondContact CB-OG1 3.47Å; H272-T275 PolarHBondContact O-N 3.13Å; H272-T275 PolarHBondContact O-OG1 3.41Å
273A53.2Low73.6Confident87 Ų8777.4 Ų77.472%0.71941%0.412SS*.THydrogen-bonded Turntrans-58.5-8.9-178.300000115.1
274N54.4Low73.8Confident165 Ų16576.8 Ų76.888%0.88241%0.408SS*.THydrogen-bonded Turntrans-102.6-0.8179.3-65.1-13.1000113.8H272H272-N274 PolarHBondContact O-N 3.1Å
275T48.5Very low74.2Confident68 Ų6873.5 Ų73.542%0.41739%0.39SS..  trans-119.4125.3175.651.50000110.7E269 H272E269-T275 PolarHBondContact OE2-OG1 3.39Å; H272-T275 WeakPolarHBondContact CB-OG1 3.47Å; H272-T275 PolarHBondContact O-N 3.13Å; H272-T275 PolarHBondContact O-OG1 3.41Å
276S56.4Low74.6Confident94 Ų9475.2 Ų75.266%0.65740%0.398SS*.EExtended strand (participates in β ladder)trans-98.7122.8169.856.30000109.1
277A62.8Low75.1Confident26 Ų2676 Ų7622%0.21539%0.394CS..EExtended strand (participates in β ladder)trans-97.3144.8168.700000110.2E269 Y279E269-A277 HydrophobicContact CG-CB 4.43Å; E269-A277 VanDerWaalsContact OE1-CB 3.23Å; E269-A277 WeakPolarHBondContact OE1-CB 3.1Å; A277-Y279 HydrophobicContact CB-CD2 4.37Å; A277-Y279 HydrophobicContact CB-CE2 3.56Å; A277-Y279 WeakPolarHBondContact O-CD2 3.41Å
278N75.1Confident76.1Confident102 Ų10278.5 Ų78.555%0.54541%0.408SS..EExtended strand (participates in β ladder)trans-91.1129.2174-70.9-32.3000108.4
279Y84.8Confident77.4Confident74 Ų7469.9 Ų69.929%0.2937%0.371SS..EExtended strand (participates in β ladder)trans-117.1156176.6-63.5-91.4000110.5I265 M267 A277 P346I265-Y279 PolarHBondContact N-O 3.41Å; M267-Y279 HydrophobicContact CB-CD2 3.96Å; M267-Y279 HydrophobicContact CB-CE2 4.06Å; M267-Y279 HydrophobicContact CE-CD2 4.47Å; M267-Y279 HydrophobicContact CG-CD2 3.99Å; M267-Y279 HydrophobicContact SD-CD2 3.41Å; M267-Y279 WeakPolarHBondContact SD-CD2 3.31Å; M267-Y279 HydrophobicContact SD-CE2 4.1Å; M267-Y279 HydrophobicContact SD-CG 3.87Å; A277-Y279 HydrophobicContact CB-CD2 4.37Å; A277-Y279 HydrophobicContact CB-CE2 3.56Å; A277-Y279 WeakPolarHBondContact O-CD2 3.41Å; Y279-P346 HydrophobicContact CD1-CG 3.64Å; Y279-P346 HydrophobicContact CE1-CG 4.46Å; Y279-P346 HydrophobicContact CG-CB 4.31Å; Y279-P346 HydrophobicContact CG-CG 3.86Å
280D92.4Very high78.8Confident96 Ų9667.5 Ų67.551%0.51336%0.36SS..EExtended strand (participates in β ladder)trans-110.5141.3176.9-63.7-10000109.6T261 I262 T263T261-D280 HydrophobicContact CG2-CB 3.98Å; I262-D280 CarbonylContact O-C 3.6Å; I262-D280 WeakPolarHBondContact O-CA 3.39Å; T263-D280 VanDerWaalsContact CA-OD1 3.23Å; T263-D280 WeakPolarHBondContact CA-OD1 3.43Å; T263-D280 WeakPolarHBondContact CB-OD1 3.29Å; T263-D280 WeakPolarHBondContact CG2-OD1 3.31Å
281V96.1Very high80.2Confident2 Ų261.9 Ų61.91%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-128.7125.3177.9169.70000108.9T261 I262 I265 L283 P346 L350T261-V281 CarbonylContact C-O 3.52Å; T261-V281 WeakPolarHBondContact CA-O 3.41Å; I262-V281 PolarHBondContact N-O 3.4Å; I262-V281 PolarHBondContact O-N 3.12Å; I265-V281 HydrophobicContact CD1-CB 3.71Å; I265-V281 HydrophobicContact CD1-CG2 3.42Å; I265-V281 VanDerWaalsContact CD1-CG2 3.42Å; V281-L283 HydrophobicContact CG1-CD2 3.7Å; V281-L283 HydrophobicContact CG1-CG 4.32Å; V281-P346 VanDerWaalsContact CG2-C 3.49Å; V281-P346 HydrophobicContact CG2-CB 3.64Å; V281-L350 HydrophobicContact CB-CD1 4.36Å; V281-L350 HydrophobicContact CG2-CB 4.48Å
282E97.1Very high81.3Confident40 Ų4056.8 Ų56.819%0.18732%0.315CS..EExtended strand (participates in β ladder)trans-93.2128.4174.9-161.3-166.3138.200111S259 T260 K311 V340S259-E282 VanDerWaalsContact OG-CG 3.23Å; S259-E282 WeakPolarHBondContact OG-CG 3.34Å; S259-E282 PolarHBondContact OG-OE1 3.43Å; T260-E282 WeakPolarHBondContact O-CA 3.46Å; E282-K311 WeakPolarHBondContact OE1-CE 3.39Å; E282-K311 IonicContact OE1-NZ 3.8Å; E282-K311 PolarHBondContact OE1-NZ 2.75Å; E282-K311 IonicContact OE2-NZ 3.32Å; E282-K311 PolarHBondContact OE2-NZ 3.09Å; E282-V340 HydrophobicContact CB-CB 4.32Å; E282-V340 HydrophobicContact CB-CG2 4.14Å; E282-V340 HydrophobicContact CG-CG2 4.03Å; E282-V340 PolarHBondContact O-N 3.14Å; E282-V340 WeakPolarHBondContact OE1-CG2 3.34Å
283L98.2Very high82Confident2 Ų252.9 Ų52.91%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-119.3136.7176.3-55.3-173.4000110.1S259 T260 I262 V281 I337 P339 L377S259-L283 WeakPolarHBondContact CA-O 3.44Å; T260-L283 PolarHBondContact N-O 2.96Å; T260-L283 PolarHBondContact O-N 3.07Å; I262-L283 HydrophobicContact CD1-CD1 3.46Å; I262-L283 VanDerWaalsContact CD1-CD1 3.46Å; I262-L283 HydrophobicContact CD1-CG 3.94Å; V281-L283 HydrophobicContact CG1-CD2 3.7Å; V281-L283 HydrophobicContact CG1-CG 4.32Å; L283-I337 HydrophobicContact CB-CB 4.48Å; L283-I337 HydrophobicContact CD1-CB 4.29Å; L283-I337 HydrophobicContact CD1-CD1 4.17Å; L283-I337 HydrophobicContact CD1-CG1 4.26Å; L283-I337 HydrophobicContact CD1-CG2 4.38Å; L283-I337 HydrophobicContact CD2-CD1 4.19Å; L283-P339 HydrophobicContact CD2-CB 3.8Å; L283-P339 HydrophobicContact CD2-CG 3.97Å; L283-L377 HydrophobicContact CD1-CD1 3.99Å; L283-L377 HydrophobicContact CD1-CD2 4.03Å
284L98.5Very high82.7Confident0 Ų054 Ų540%029%0.289CS..EExtended strand (participates in β ladder)trans-98.3144.5168.1-62.9178.7000110.6I65 I69 Q252 L257 A258 I337 S338 V340I65-L284 HydrophobicContact CD1-CD1 4.04Å; I65-L284 HydrophobicContact CG2-CB 4.37Å; I65-L284 HydrophobicContact CG2-CD1 3.74Å; I69-L284 HydrophobicContact CD1-CB 4.05Å; Q252-L284 HydrophobicContact CG-CD1 4.05Å; Q252-L284 HydrophobicContact CG-CD2 3.88Å; L257-L284 HydrophobicContact CD1-CB 4.43Å; A258-L284 WeakPolarHBondContact O-CA 3.4Å; L284-I337 CarbonylContact O-C 3.49Å; L284-I337 VanDerWaalsContact O-CA 3.29Å; L284-I337 WeakPolarHBondContact O-CA 3.4Å; L284-S338 PolarHBondContact N-O 3.46Å; L284-S338 PolarHBondContact O-N 3.45Å; L284-V340 HydrophobicContact CD1-CG2 3.96Å; L284-V340 HydrophobicContact CD2-CG2 4.24Å; L284-V340 HydrophobicContact CG-CG2 3.66Å
285H98.4Very high83Confident0 Ų053.8 Ų53.80%028%0.281CS..EExtended strand (participates in β ladder)trans-160.6170.9176.752.776.3000109.7L257 A258 T260 K287 A289 H290 R336 I337L257-H285 CarbonylContact C-O 3.58Å; L257-H285 WeakPolarHBondContact CA-O 3.44Å; L257-H285 WeakPolarHBondContact CB-O 3.35Å; A258-H285 PolarHBondContact N-O 3.17Å; A258-H285 PolarHBondContact O-N 2.96Å; A258-H285 VanDerWaalsContact O-N 3.12Å; T260-H285 PolarHBondContact OG1-NE2 2.93Å; H285-K287 PolarHBondContact O-N 3.26Å; H285-A289 WeakPolarHBondContact ND1-CB 3.29Å; H285-H290 AromaticContact CE1-CD2 3.78Å; H285-H290 AromaticContact CE1-CE1 3.49Å; H285-H290 PolarHBondContact CE1-CE1 2.89Å; H285-H290 VanDerWaalsContact CE1-CE1 3.49Å; H285-H290 AromaticContact CE1-NE2 3.25Å; H285-H290 PolarHBondContact CE1-NE2 3.34Å; H285-H290 VanDerWaalsContact CE1-NE2 3.25Å; H285-H290 AromaticContact NE2-CE1 3.7Å; H285-H290 AromaticContact NE2-NE2 3.48Å; H285-H290 PolarHBondContact NE2-NE2 3.49Å; H285-R336 VanDerWaalsContact CB-O 3.28Å; H285-R336 WeakPolarHBondContact CB-O 3.31Å; H285-I337 HydrophobicContact CB-CG2 4.1Å
286H97.6Very high83.5Confident41 Ų4154.1 Ų54.119%0.1929%0.286CS..EExtended strand (participates in β ladder)trans-59.8140.9174.6-168-100.1000111.3D288 A289 Y335H286-D288 IonicContact CE1-OD1 2.7Å; H286-D288 PolarHBondContact CE1-OD1 3Å; H286-D288 IonicContact CE1-OD2 2.71Å; H286-D288 PolarHBondContact CE1-OD2 3.18Å; H286-D288 WeakPolarHBondContact ND1-CB 3.32Å; H286-D288 VanDerWaalsContact ND1-CG 3.25Å; H286-D288 PolarHBondContact ND1-N 3.24Å; H286-D288 IonicContact ND1-OD1 2.79Å; H286-D288 IonicContact ND1-OD2 3Å; H286-D288 PolarHBondContact ND1-OD2 3.48Å; H286-D288 PolarHBondContact O-N 2.87Å; H286-D288 VanDerWaalsContact O-N 3.11Å; H286-A289 PolarHBondContact O-N 3.28Å; H286-Y335 HydrophobicContact CB-CD1 4.13Å
287K95.4Very high83.1Confident88 Ų8852.5 Ų52.538%0.38328%0.284SS..G310 helixtrans-61.5-21-175.969.7-174.2178.4-166.70114.7D256 A258 H285 A289 H290D256-K287 HydrophobicContact CB-CD 3.86Å; D256-K287 HydrophobicContact CB-CG 4.28Å; D256-K287 VanDerWaalsContact CG-NZ 3.26Å; D256-K287 VanDerWaalsContact O-CB 3.28Å; D256-K287 WeakPolarHBondContact O-CB 3.2Å; D256-K287 WeakPolarHBondContact O-CG 3.45Å; D256-K287 PolarHBondContact O-N 3.18Å; D256-K287 IonicContact OD1-NZ 3.86Å; D256-K287 PolarHBondContact OD1-NZ 2.85Å; D256-K287 IonicContact OD2-NZ 3.62Å; A258-K287 HydrophobicContact CB-CB 4.06Å; H285-K287 PolarHBondContact O-N 3.26Å; K287-A289 PolarHBondContact O-N 3.04Å; K287-A289 VanDerWaalsContact O-N 3.11Å; K287-H290 PolarHBondContact O-N 2.83Å
288D95.2Very high82.5Confident66 Ų6653.4 Ų53.435%0.35329%0.285SS..G310 helixtrans-61.7-19.8179.3-71-7.1000113.2H286 H290 V291 Y335H286-D288 IonicContact CE1-OD1 2.7Å; H286-D288 PolarHBondContact CE1-OD1 3Å; H286-D288 IonicContact CE1-OD2 2.71Å; H286-D288 PolarHBondContact CE1-OD2 3.18Å; H286-D288 WeakPolarHBondContact ND1-CB 3.32Å; H286-D288 VanDerWaalsContact ND1-CG 3.25Å; H286-D288 PolarHBondContact ND1-N 3.24Å; H286-D288 IonicContact ND1-OD1 2.79Å; H286-D288 IonicContact ND1-OD2 3Å; H286-D288 PolarHBondContact ND1-OD2 3.48Å; H286-D288 PolarHBondContact O-N 2.87Å; H286-D288 VanDerWaalsContact O-N 3.11Å; D288-H290 PolarHBondContact O-N 2.69Å; D288-H290 VanDerWaalsContact O-N 3.14Å; D288-V291 HydrophobicContact CB-CG2 4.42Å; D288-V291 PolarHBondContact O-N 3.09Å; D288-Y335 HydrophobicContact CB-CE1 3.55Å; D288-Y335 WeakPolarHBondContact CB-OH 3.07Å
289A95Very high81.1Confident0 Ų052.2 Ų52.20%029%0.285CS..G310 helixtrans-59.8-21.3170.100000113.2H285 H286 K287 Y335 H375 L386 V388H285-A289 WeakPolarHBondContact ND1-CB 3.29Å; H286-A289 PolarHBondContact O-N 3.28Å; K287-A289 PolarHBondContact O-N 3.04Å; K287-A289 VanDerWaalsContact O-N 3.11Å; A289-Y335 HydrophobicContact CB-CD2 3.56Å; A289-Y335 HydrophobicContact CB-CE2 4.04Å; A289-Y335 HydrophobicContact CB-CG 4.06Å; A289-H375 PolarHBondContact O-NE2 2.7Å; A289-L386 HydrophobicContact CB-CD2 3.94Å; A289-V388 HydrophobicContact CB-CG2 4.26Å; A289-V388 WeakPolarHBondContact O-CG2 3.48Å
290H91.8Very high79.4Confident8 Ų854 Ų544%0.03730%0.296CS..G310 helixtrans-111.93.6-179.2-61.8-25.1000113.8T260 H285 K287 D288 D292 F293 L294 H375T260-H290 PolarHBondContact OG1-CE1 2.92Å; T260-H290 PolarHBondContact OG1-NE2 2.8Å; H285-H290 AromaticContact CE1-CD2 3.78Å; H285-H290 AromaticContact CE1-CE1 3.49Å; H285-H290 PolarHBondContact CE1-CE1 2.89Å; H285-H290 VanDerWaalsContact CE1-CE1 3.49Å; H285-H290 AromaticContact CE1-NE2 3.25Å; H285-H290 PolarHBondContact CE1-NE2 3.34Å; H285-H290 VanDerWaalsContact CE1-NE2 3.25Å; H285-H290 AromaticContact NE2-CE1 3.7Å; H285-H290 AromaticContact NE2-NE2 3.48Å; H285-H290 PolarHBondContact NE2-NE2 3.49Å; K287-H290 PolarHBondContact O-N 2.83Å; D288-H290 PolarHBondContact O-N 2.69Å; D288-H290 VanDerWaalsContact O-N 3.14Å; H290-D292 PolarHBondContact O-N 3.35Å; H290-F293 HydrophobicContact CB-CB 4.48Å; H290-F293 VanDerWaalsContact O-CB 3.31Å; H290-F293 WeakPolarHBondContact O-CB 3.2Å; H290-F293 PolarHBondContact O-N 3.35Å; H290-L294 WeakPolarHBondContact O-CG 3.42Å; H290-L294 PolarHBondContact O-N 2.88Å; H290-H375 AromaticContact ND1-NE2 3.83Å
291V86.4Confident77.2Confident45 Ų4554.7 Ų54.727%0.27330%0.299SS..Hα-helixtrans-64.5-42.6-177.8165.10000111.5D288 F293 L294 K295D288-V291 HydrophobicContact CB-CG2 4.42Å; D288-V291 PolarHBondContact O-N 3.09Å; V291-F293 VanDerWaalsContact C-N 3.28Å; V291-F293 PolarHBondContact O-N 3.46Å; V291-L294 PolarHBondContact O-N 3.21Å; V291-K295 HydrophobicContact CG1-CD 4.1Å; V291-K295 VanDerWaalsContact CG1-CE 3.49Å; V291-K295 WeakPolarHBondContact O-CG 3.25Å; V291-K295 PolarHBondContact O-N 3.05Å; V291-K295 VanDerWaalsContact O-N 3.16Å
292D75.8Confident74.4Confident70 Ų7058 Ų5837%0.37433%0.333SS..Hα-helixtrans-66.5-34.8177.1-70.8-12.1000111.2H290 S296 T332 V388H290-D292 PolarHBondContact O-N 3.35Å; D292-S296 PolarHBondContact O-N 3.46Å; D292-S296 PolarHBondContact O-OG 2.94Å; D292-T332 PolarHBondContact OD2-OG1 3.49Å; D292-T332 VanDerWaalsContact OD2-OG1 3.13Å; D292-V388 HydrophobicContact CB-CG1 4.45Å
293F70.1Confident71.5Confident36 Ų3660.2 Ų60.216%0.15837%0.366CS..Hα-helixtrans-63.6-45176.3-170.5-87.6000112.4H290 V291 I314 Q364H290-F293 HydrophobicContact CB-CB 4.48Å; H290-F293 VanDerWaalsContact O-CB 3.31Å; H290-F293 WeakPolarHBondContact O-CB 3.2Å; H290-F293 PolarHBondContact O-N 3.35Å; V291-F293 VanDerWaalsContact C-N 3.28Å; V291-F293 PolarHBondContact O-N 3.46Å; F293-I314 HydrophobicContact CD1-CD1 4.4Å; F293-I314 HydrophobicContact CE1-CD1 3.96Å; F293-I314 HydrophobicContact CE1-CG2 4.43Å; F293-I314 HydrophobicContact CZ-CG2 4.16Å; F293-Q364 HydrophobicContact CE2-CB 4.41Å; F293-Q364 HydrophobicContact CE2-CG 3.71Å; F293-Q364 VanDerWaalsContact CE2-NE2 3.27Å; F293-Q364 HydrophobicContact CZ-CG 3.98Å
294L66.4Low68.5Low111 Ų11163.6 Ų63.658%0.58140%0.402SS*.Hα-helixtrans-70.5-35.3-179.6-73.2162.1000112.7H290 V291 S296 G297H290-L294 WeakPolarHBondContact O-CG 3.42Å; H290-L294 PolarHBondContact O-N 2.88Å; V291-L294 PolarHBondContact O-N 3.21Å; L294-S296 VanDerWaalsContact C-N 3.34Å; L294-S296 PolarHBondContact O-N 3.49Å; L294-G297 PolarHBondContact O-N 2.83Å
295K61.3Low65.4Low160 Ų16069.3 Ų69.370%0.69644%0.442SS*.Hα-helixtrans-69.3-28.8179.5-75.3172.8-178.6169.10113.4V291 G297V291-K295 HydrophobicContact CG1-CD 4.1Å; V291-K295 VanDerWaalsContact CG1-CE 3.49Å; V291-K295 WeakPolarHBondContact O-CG 3.25Å; V291-K295 PolarHBondContact O-N 3.05Å; V291-K295 VanDerWaalsContact O-N 3.16Å; K295-G297 PolarHBondContact O-N 3.28Å; K295-G297 VanDerWaalsContact O-N 3.14Å
296S57.9Low62.6Low75 Ų7580.6 Ų80.652%0.52448%0.484SS..THydrogen-bonded Turntrans-71.40.7179-64.80000114.2D292 L294 D298D292-S296 PolarHBondContact O-N 3.46Å; D292-S296 PolarHBondContact O-OG 2.94Å; L294-S296 VanDerWaalsContact C-N 3.34Å; L294-S296 PolarHBondContact O-N 3.49Å; S296-D298 PolarHBondContact O-N 2.93Å; S296-D298 VanDerWaalsContact O-N 3.08Å
297G49Very low59.6Low60 Ų6087.8 Ų87.862%0.61952%0.518SS*.THydrogen-bonded Turntrans70.82.3173.400000114.8L294 K295 S299L294-G297 PolarHBondContact O-N 2.83Å; K295-G297 PolarHBondContact O-N 3.28Å; K295-G297 VanDerWaalsContact O-N 3.14Å; G297-S299 PolarHBondContact O-N 3.12Å
298D50.4Low56.7Low46 Ų4687 Ų8725%0.24653%0.534CS..  trans-83.754.1-177.3-132.411.9000109.9S296 H300 R366S296-D298 PolarHBondContact O-N 2.93Å; S296-D298 VanDerWaalsContact O-N 3.08Å; D298-H300 PolarHBondContact O-N 3.26Å; D298-R366 IonicContact OD2-CZ 3.88Å; D298-R366 VanDerWaalsContact OD2-CZ 3.29Å; D298-R366 IonicContact OD2-NE 2.77Å; D298-R366 PolarHBondContact OD2-NE 3.08Å; D298-R366 IonicContact OD2-NH2 3.99Å; D298-R366 PolarHBondContact OD2-NH2 2.83Å
299S45.4Very low53.7Low76 Ų7689.4 Ų89.453%0.53155%0.554SS.*  trans-72.567.8173.4-75.70000110.1G297 L301G297-S299 PolarHBondContact O-N 3.12Å; S299-L301 PolarHBondContact O-N 3.14Å
300H48.9Very low51.1Low112 Ų11297.9 Ų97.952%0.51959%0.591SS.*  trans-87.366.3152.8-69.4-38.9000108.3D298 G302D298-H300 PolarHBondContact O-N 3.26Å; H300-G302 PolarHBondContact O-N 2.75Å
301L46.3Very low49.3Very low111 Ų111101.9 Ų101.958%0.58161%0.608SS**  trans-6378.4155.3-71.5163.7000106.7S299 G303S299-L301 PolarHBondContact O-N 3.14Å; L301-G303 PolarHBondContact O-N 3.04Å
302G37.3Very low48.8Very low71 Ų71107.8 Ų107.873%0.73263%0.633SS**  trans-72.275.2175.100000109.3H300 G304H300-G302 PolarHBondContact O-N 2.75Å; G302-G304 PolarHBondContact O-N 3.44Å
303G35Very low49.4Very low86 Ų86106.7 Ų106.789%0.88763%0.629SS**  trans-63.896.9169.700000109.8L301L301-G303 PolarHBondContact O-N 3.04Å
304G35.3Very low50.4Low73 Ų73106.2 Ų106.275%0.75363%0.628SS**  trans-140.163.6174.100000110.5G302G302-G304 PolarHBondContact O-N 3.44Å
305S34.2Very low51.6Low121 Ų121103.7 Ų103.785%0.84662%0.617SS**  trans-167.3148.3141.2-158.30000112.1E307S305-E307 PolarHBondContact O-N 3.08Å
306R40.8Very low53.2Low236 Ų23696.1 Ų96.189%0.89158%0.584SS**  trans-71.2108.6179.3-64.8165.7167.5176.3-5.5109.6
307E34.6Very low54.9Low193 Ų19396 Ų9690%0.90257%0.574SS**SBendtrans177.8104.1144.9-103.2174.3-164.300110.1S305S305-E307 PolarHBondContact O-N 3.08Å
308G34.4Very low57Low70 Ų7094.3 Ų94.372%0.72255%0.549SS*.  trans74.5143.416200000117.7F310G308-F310 VanDerWaalsContact C-N 3.33Å; G308-F310 PolarHBondContact O-N 3.31Å
309P31.6Very low58.8Low117 Ų11793.1 Ų93.176%0.7654%0.544SS*.SBendtrans-83.626.3-173.731.1-31.2000116.1
310F40.7Very low60.3Low178 Ų17894.7 Ų94.778%0.78155%0.551SS**  trans-13918.4-164.6-74.5-68.6000119.4G308G308-F310 VanDerWaalsContact C-N 3.33Å; G308-F310 PolarHBondContact O-N 3.31Å
311K53.9Low61.2Low93 Ų9390.8 Ų90.840%0.40454%0.536SS..  trans-136.396.6173.4-151.8173.9-176.2-174.60112.7E282 T313E282-K311 WeakPolarHBondContact OE1-CE 3.39Å; E282-K311 IonicContact OE1-NZ 3.8Å; E282-K311 PolarHBondContact OE1-NZ 2.75Å; E282-K311 IonicContact OE2-NZ 3.32Å; E282-K311 PolarHBondContact OE2-NZ 3.09Å; K311-T313 PolarHBondContact O-N 3.02Å
312E75.7Confident62.5Low168 Ų16895.4 Ų95.479%0.78555%0.545SS*.  trans-77.4112.1170-67.3-178.8179.100108.6
313T88.1Confident63.7Low47 Ų4799 Ų9929%0.28855%0.553SS.*EExtended strand (participates in β ladder)trans-123.2138.1176.4-175.30000110.1S259 T261 K311S259-T313 WeakPolarHBondContact O-CA 3.41Å; S259-T313 PolarHBondContact O-OG1 3.4Å; S259-T313 VanDerWaalsContact OG-CB 3.32Å; S259-T313 WeakPolarHBondContact OG-CB 3.33Å; S259-T313 PolarHBondContact OG-OG1 3.38Å; T261-T313 PolarHBondContact N-OG1 2.91Å; T261-T313 WeakPolarHBondContact OG1-CG2 3.25Å; T261-T313 PolarHBondContact OG1-OG1 2.95Å; K311-T313 PolarHBondContact O-N 3.02Å
314I91.2Very high65Low26 Ų26102.3 Ų102.313%0.13355%0.551CS.*EExtended strand (participates in β ladder)trans-86.7122.2175.1-61-60.4000109.3S259 T260 T261 F293 L316S259-I314 PolarHBondContact O-N 3.25Å; T260-I314 CarbonylContact C-O 3.53Å; T260-I314 VanDerWaalsContact CA-O 3.31Å; T260-I314 WeakPolarHBondContact CA-O 3.28Å; T261-I314 PolarHBondContact N-O 3.09Å; F293-I314 HydrophobicContact CD1-CD1 4.4Å; F293-I314 HydrophobicContact CE1-CD1 3.96Å; F293-I314 HydrophobicContact CE1-CG2 4.43Å; F293-I314 HydrophobicContact CZ-CG2 4.16Å; I314-L316 HydrophobicContact CG2-CD2 4.15Å; I314-L316 HydrophobicContact CG2-CG 4.21Å
315T92.5Very high66.8Low59 Ų59102 Ų10236%0.36253%0.532SS..EExtended strand (participates in β ladder)trans-88122.2177.3-51.10000111.2T261 T263 P365T261-T315 CarbonylContact O-C 3.6Å; T261-T315 WeakPolarHBondContact O-CA 3.37Å; T263-T315 HydrophobicContact CG2-CG2 3.4Å; T263-T315 VanDerWaalsContact CG2-CG2 3.4Å; T315-P365 WeakPolarHBondContact O-CD 3.46Å; T315-P365 WeakPolarHBondContact O-CG 3.43Å
316L93.6Very high69.1Low0 Ų0101.6 Ų101.60%052%0.519CS..EExtended strand (participates in β ladder)trans-122.9139.6174.5-62.2-179.7000110.9T260 T261 I262 T263 I314 L362 Q364 H375T260-L316 HydrophobicContact CG2-CB 4.36Å; T260-L316 HydrophobicContact CG2-CD1 3.78Å; T260-L316 HydrophobicContact CG2-CG 4.04Å; T261-L316 PolarHBondContact O-N 2.94Å; I262-L316 CarbonylContact C-O 3.49Å; I262-L316 VanDerWaalsContact CA-O 3.26Å; I262-L316 WeakPolarHBondContact CA-O 3.44Å; T263-L316 PolarHBondContact N-O 3.21Å; I314-L316 HydrophobicContact CG2-CD2 4.15Å; I314-L316 HydrophobicContact CG2-CG 4.21Å; L316-L362 HydrophobicContact CB-CB 4.09Å; L316-L362 HydrophobicContact CB-CD1 4.48Å; L316-L362 HydrophobicContact CD1-CB 4.01Å; L316-L362 HydrophobicContact CD1-CD1 3.85Å; L316-Q364 HydrophobicContact CD2-CB 4.49Å; L316-H375 HydrophobicContact CD1-CB 4.09Å
317K93.4Very high71.1Confident73 Ų7399.8 Ų99.832%0.31752%0.52SS..EExtended strand (participates in β ladder)trans-94.2132.5-178.3-73177.4174.2175.40111.1T263 C319 L362 E363 P365T263-K317 WeakPolarHBondContact OG1-CG 3.48Å; K317-C319 PolarHBondContact O-N 3.02Å; K317-L362 WeakPolarHBondContact O-CA 3.48Å; K317-E363 HydrophobicContact CB-CB 4.29Å; K317-E363 PolarHBondContact N-O 2.94Å; K317-E363 PolarHBondContact O-N 3.24Å; K317-P365 HydrophobicContact CD-CB 4.22Å
318W92.9Very high73.7Confident24 Ų2498 Ų989%0.09152%0.516CS..EExtended strand (participates in β ladder)trans-57.5125.9170177.4-74.4000111.2T263 I265 L350 F353 V360T263-W318 WeakPolarHBondContact O-CB 3.41Å; T263-W318 PolarHBondContact O-N 3.15Å; I265-W318 HydrophobicContact CG1-CE3 4.08Å; I265-W318 HydrophobicContact CG2-CE3 4.19Å; I265-W318 HydrophobicContact CG2-CZ3 4.27Å; W318-L350 HydrophobicContact CE3-CD1 4.38Å; W318-L350 HydrophobicContact CZ3-CD1 4.17Å; W318-L350 HydrophobicContact CZ3-CG 4.36Å; W318-F353 AromaticContact CH2-CD1 3.59Å; W318-F353 HydrophobicContact CH2-CD1 3.59Å; W318-F353 HydrophobicContact CH2-CD2 4.41Å; W318-F353 AromaticContact CH2-CE1 3.63Å; W318-F353 HydrophobicContact CH2-CE1 3.63Å; W318-F353 HydrophobicContact CH2-CE2 4.43Å; W318-F353 AromaticContact CH2-CG 3.99Å; W318-F353 HydrophobicContact CH2-CG 3.99Å; W318-F353 HydrophobicContact CH2-CZ 4.06Å; W318-F353 HydrophobicContact CZ2-CD1 4.28Å; W318-F353 AromaticContact CZ2-CE1 3.87Å; W318-F353 HydrophobicContact CZ2-CE1 3.87Å; W318-F353 HydrophobicContact CZ2-CE2 4.39Å; W318-F353 AromaticContact CZ2-CZ 3.92Å; W318-F353 HydrophobicContact CZ2-CZ 3.92Å; W318-V360 HydrophobicContact CD2-CG1 3.58Å; W318-V360 HydrophobicContact CD2-CG2 4.47Å; W318-V360 HydrophobicContact CE3-CB 4.33Å; W318-V360 HydrophobicContact CE3-CG1 3.39Å; W318-V360 HydrophobicContact CE3-CG2 3.98Å; W318-V360 HydrophobicContact CG-CG1 4.21Å; W318-V360 HydrophobicContact CH2-CB 4.35Å; W318-V360 HydrophobicContact CH2-CG1 4.16Å; W318-V360 HydrophobicContact CH2-CG2 3.25Å; W318-V360 HydrophobicContact CZ2-CG1 4.29Å; W318-V360 HydrophobicContact CZ2-CG2 3.79Å; W318-V360 HydrophobicContact CZ3-CB 4.16Å; W318-V360 HydrophobicContact CZ3-CG1 3.72Å; W318-V360 HydrophobicContact CZ3-CG2 3.36Å
319C89.4Confident76.4Confident21 Ų2196.8 Ų96.814%0.14249%0.492CS..EExtended strand (participates in β ladder)trans-101.8121.1167-75.90000110.8K317 P321 L361 E363K317-C319 PolarHBondContact O-N 3.02Å; C319-P321 VanDerWaalsContact O-CD 3.32Å; C319-P321 WeakPolarHBondContact O-CD 3.26Å; C319-P321 VanDerWaalsContact O-N 3.17Å; C319-L361 HydrophobicContact CB-CB 3.96Å; C319-L361 WeakPolarHBondContact CB-O 3.34Å; C319-L361 PolarHBondContact N-O 3.06Å; C319-E363 WeakPolarHBondContact SG-CB 3.29Å
320T75.6Confident79.3Confident109 Ų10999.4 Ų99.467%0.66949%0.488SS*.PPolyproline II helixtrans-56.2120.1175.8-52.60000110.3R322T320-R322 PolarHBondContact O-N 3.18Å
321P68Low81.9Confident31 Ų3193 Ų9320%0.20147%0.465CS..PPolyproline II helixtrans-59.8124179.1-23.233.1000110.5C319 F353 S359C319-P321 VanDerWaalsContact O-CD 3.32Å; C319-P321 WeakPolarHBondContact O-CD 3.26Å; C319-P321 VanDerWaalsContact O-N 3.17Å; P321-F353 HydrophobicContact CG-CZ 4.3Å; P321-S359 WeakPolarHBondContact CG-O 3.15Å
322R74.9Confident83.8Confident207 Ų20791.6 Ų91.678%0.78146%0.464SS*.PPolyproline II helixtrans-76.3151170.8-67.4-175.7177-172.7-1109.8T320 N324T320-R322 PolarHBondContact O-N 3.18Å; R322-N324 PolarHBondContact O-N 3.44Å
323T62.6Low84.7Confident147 Ų14784.3 Ų84.390%0.90243%0.434SS*.SBendtrans-60.4-27.1-177.6-18.70000113.4
324N61.9Low85.2Confident156 Ų15684.3 Ų84.383%0.83444%0.438SS*.SBendtrans-123.278.6175.5-67.2-5.9000109.2R322R322-N324 PolarHBondContact O-N 3.44Å
325N73.3Confident85.5Confident66 Ų6685.8 Ų85.835%0.35344%0.443SS..  trans-91.7165.6170.7-144.5-37.2000110.6E327 L361N325-E327 PolarHBondContact O-N 2.72Å; N325-L361 WeakPolarHBondContact ND2-CD1 3.37Å
326I81.1Confident85.8Confident112 Ų11286.6 Ų86.657%0.57444%0.439SS*.  trans-60.6124.3172.6-59.7171.9000107.9L328 H329I326-L328 VanDerWaalsContact CG2-O 3.24Å; I326-L328 WeakPolarHBondContact CG2-O 3.39Å; I326-H329 PolarHBondContact O-CD2 2.88Å; I326-H329 PolarHBondContact O-NE2 3.17Å; I326-H329 VanDerWaalsContact O-NE2 3.16Å
327E83.7Confident86.1Confident198 Ų19887.1 Ų87.193%0.92544%0.442SS*.SBendtrans-75-33.8-178.8-64.5-174.4166.100112.3N325N325-E327 PolarHBondContact O-N 2.72Å
328L89.6Confident86.3Confident155 Ų15583.7 Ų83.781%0.81243%0.427SS*.SBendtrans-117.6102.4-179.8-178.362.9000110.9I326I326-L328 VanDerWaalsContact CG2-O 3.24Å; I326-L328 WeakPolarHBondContact CG2-O 3.39Å
329H91.8Very high86.6Confident45 Ų4582.9 Ų82.921%0.20843%0.425CS..  trans-87.1137.6174.7-72.5-85.3000111.5I326 C331 L389I326-H329 PolarHBondContact O-CD2 2.88Å; I326-H329 PolarHBondContact O-NE2 3.17Å; I326-H329 VanDerWaalsContact O-NE2 3.16Å; H329-C331 PolarHBondContact O-N 3.11Å; H329-L389 HydrophobicContact CB-CD2 3.86Å
330Y92.1Very high86.9Confident172 Ų17282.7 Ų82.768%0.67542%0.423SS*.  trans-70.4114.8168.4177.3-106.1000109.7T332Y330-T332 HydrophobicContact CD1-CG2 4.43Å; Y330-T332 HydrophobicContact CE1-CG2 3.64Å
331C94.2Very high87.7Confident44 Ų4482.4 Ų82.430%0.29742%0.417SS..EExtended strand (participates in β ladder)trans-116.7126.2-174.7-178.70000109.7H329 G333 H387 V388 L389H329-C331 PolarHBondContact O-N 3.11Å; C331-G333 VanDerWaalsContact SG-C 3.58Å; C331-G333 PolarHBondContact SG-O 2.93Å; C331-H387 PolarHBondContact SG-ND1 3.14Å; C331-H387 VanDerWaalsContact SG-ND1 3.39Å; C331-V388 CarbonylContact C-O 3.48Å; C331-V388 WeakPolarHBondContact CA-O 3.31Å; C331-L389 HydrophobicContact CB-CD2 4.48Å
332T93.8Very high89Confident63 Ų6383 Ų8339%0.38742%0.421SS..EExtended strand (participates in β ladder)trans-90.1-15.7178.556.80000112.8D292 Y330 V388D292-T332 PolarHBondContact OD2-OG1 3.49Å; D292-T332 VanDerWaalsContact OD2-OG1 3.13Å; Y330-T332 HydrophobicContact CD1-CG2 4.43Å; Y330-T332 HydrophobicContact CE1-CG2 3.64Å; T332-V388 PolarHBondContact N-O 3.32Å; T332-V388 WeakPolarHBondContact OG1-CG1 3.07Å; T332-V388 PolarHBondContact OG1-O 3.13Å
333G95.9Very high89.9Confident15 Ų1580.2 Ų80.216%0.15542%0.421CS..EExtended strand (participates in β ladder)trans-174.3147.8174.800000112.1C331 V388C331-G333 VanDerWaalsContact SG-C 3.58Å; C331-G333 PolarHBondContact SG-O 2.93Å; G333-V388 PolarHBondContact O-N 2.91Å
334A97.8Very high91.4Very high47 Ų4775 Ų7539%0.38839%0.391SS..EExtended strand (participates in β ladder)trans-127.4125.4177.300000110F385 L386A334-F385 HydrophobicContact CB-CB 4.38Å; A334-F385 HydrophobicContact CB-CD1 4.18Å; A334-L386 WeakPolarHBondContact CA-O 3.41Å
335Y98.4Very high92.7Very high57 Ų5772.7 Ų72.722%0.22437%0.37CS..EExtended strand (participates in β ladder)trans-123.8132.8-172.4-57.1-85.9000110.4H286 D288 A289 F385 L386 V388H286-Y335 HydrophobicContact CB-CD1 4.13Å; D288-Y335 HydrophobicContact CB-CE1 3.55Å; D288-Y335 WeakPolarHBondContact CB-OH 3.07Å; A289-Y335 HydrophobicContact CB-CD2 3.56Å; A289-Y335 HydrophobicContact CB-CE2 4.04Å; A289-Y335 HydrophobicContact CB-CG 4.06Å; Y335-F385 CarbonylContact O-C 3.49Å; Y335-F385 VanDerWaalsContact O-CA 3.32Å; Y335-F385 WeakPolarHBondContact O-CA 3.14Å; Y335-L386 PolarHBondContact N-O 3.26Å; Y335-L386 PolarHBondContact O-N 3.42Å; Y335-V388 HydrophobicContact CD2-CG2 4.07Å; Y335-V388 HydrophobicContact CE2-CG2 3.76Å
336R98.7Very high93.6Very high77 Ų7770.6 Ų70.629%0.29136%0.36SS..EExtended strand (participates in β ladder)trans-61.8146.8173.8-69.9178.7175.2801110.3H285 E383 F385H285-R336 VanDerWaalsContact CB-O 3.28Å; H285-R336 WeakPolarHBondContact CB-O 3.31Å; R336-E383 IonicContact CZ-OE2 3.26Å; R336-E383 IonicContact NE-OE2 2.83Å; R336-E383 PolarHBondContact NE-OE2 3.16Å; R336-E383 IonicContact NH2-OE2 3.04Å; R336-E383 PolarHBondContact NH2-OE2 3.46Å; R336-F385 HydrophobicContact CG-CD1 3.96Å; R336-F385 HydrophobicContact CG-CE1 3.46Å; R336-F385 VanDerWaalsContact CG-CE1 3.46Å; R336-F385 HydrophobicContact CG-CE2 4.44Å; R336-F385 HydrophobicContact CG-CZ 3.74Å
337I98.7Very high94.3Very high11 Ų1165.4 Ų65.46%0.05633%0.334CS..EExtended strand (participates in β ladder)trans-116.7157.1179.26387000110.8L283 L284 H285 P339 L377 I384 L386L283-I337 HydrophobicContact CB-CB 4.48Å; L283-I337 HydrophobicContact CD1-CB 4.29Å; L283-I337 HydrophobicContact CD1-CD1 4.17Å; L283-I337 HydrophobicContact CD1-CG1 4.26Å; L283-I337 HydrophobicContact CD1-CG2 4.38Å; L283-I337 HydrophobicContact CD2-CD1 4.19Å; L284-I337 CarbonylContact O-C 3.49Å; L284-I337 VanDerWaalsContact O-CA 3.29Å; L284-I337 WeakPolarHBondContact O-CA 3.4Å; H285-I337 HydrophobicContact CB-CG2 4.1Å; I337-P339 HydrophobicContact CD1-CG 4.32Å; I337-L377 HydrophobicContact CG1-CD2 4.44Å; I337-L377 HydrophobicContact CG2-CD2 4.24Å; I337-I384 HydrophobicContact CD1-CB 4Å; I337-I384 HydrophobicContact CD1-CG2 3.88Å; I337-I384 HydrophobicContact CG1-CB 3.89Å; I337-I384 HydrophobicContact CG1-CG2 3.59Å; I337-I384 PolarHBondContact N-O 2.87Å; I337-L386 HydrophobicContact CG2-CB 3.61Å
338S98.6Very high94.8Very high0 Ų057.6 Ų57.60%030%0.301CS..EExtended strand (participates in β ladder)trans-134.1122.8165.4-1700000109.5R64 D68 L284R64-S338 PolarHBondContact NH1-OG 3.43Å; R64-S338 PolarHBondContact NH2-OG 3.49Å; D68-S338 PolarHBondContact OD2-OG 3.37Å; L284-S338 PolarHBondContact N-O 3.46Å; L284-S338 PolarHBondContact O-N 3.45Å
339P97.9Very high94.9Very high7 Ų753 Ų535%0.04528%0.282CS..EExtended strand (participates in β ladder)trans-66.3136.4174.5-14.127.8000110.4R64 L283 I337 V342 T351R64-P339 PolarHBondContact NH2-O 3.41Å; L283-P339 HydrophobicContact CD2-CB 3.8Å; L283-P339 HydrophobicContact CD2-CG 3.97Å; I337-P339 HydrophobicContact CD1-CG 4.32Å; P339-V342 HydrophobicContact CB-CB 4.47Å; P339-V342 HydrophobicContact CG-CG2 4.45Å; P339-T351 HydrophobicContact CG-CG2 3.72Å
340V95.9Very high95Very high17 Ų1751 Ų5110%0.10327%0.272CS..THydrogen-bonded Turntrans-65.6-48.9177.8175.40000110.8E282 L284E282-V340 HydrophobicContact CB-CB 4.32Å; E282-V340 HydrophobicContact CB-CG2 4.14Å; E282-V340 HydrophobicContact CG-CG2 4.03Å; E282-V340 PolarHBondContact O-N 3.14Å; E282-V340 WeakPolarHBondContact OE1-CG2 3.34Å; L284-V340 HydrophobicContact CD1-CG2 3.96Å; L284-V340 HydrophobicContact CD2-CG2 4.24Å; L284-V340 HydrophobicContact CG-CG2 3.66Å
341D93.5Very high95.2Very high104 Ų10443.6 Ų43.656%0.55625%0.245SC*.THydrogen-bonded Turntrans-104.771.2177.1-63.4-55.9000110.4N343 S344 S347D341-N343 VanDerWaalsContact C-N 3.28Å; D341-N343 PolarHBondContact O-N 3.08Å; D341-S344 WeakPolarHBondContact O-CB 3.49Å; D341-S344 PolarHBondContact O-N 3.45Å; D341-S344 PolarHBondContact O-OG 2.97Å; D341-S347 WeakPolarHBondContact O-CB 3.33Å; D341-S347 PolarHBondContact O-OG 3.2Å
342V94.8Very high95.3Very high44 Ų4445.7 Ų45.727%0.26725%0.253SS..THydrogen-bonded Turntrans-55.9-37.4-17167.40000114.2P339 S348P339-V342 HydrophobicContact CB-CB 4.47Å; P339-V342 HydrophobicContact CG-CG2 4.45Å; V342-S348 PolarHBondContact O-OG 3.23Å
343N93.4Very high95.3Very high148 Ų14844.9 Ų44.979%0.79125%0.245SC*.THydrogen-bonded Turntrans-92.92.5-178.2-68.6-35000113.8D341D341-N343 VanDerWaalsContact C-N 3.28Å; D341-N343 PolarHBondContact O-N 3.08Å
344S93.5Very high95.2Very high38 Ų3844.2 Ų44.227%0.26624%0.237SC..SBendtrans-69.7143.7173.971.50000110.1D341 P346 S347 S348D341-S344 WeakPolarHBondContact O-CB 3.49Å; D341-S344 PolarHBondContact O-N 3.45Å; D341-S344 PolarHBondContact O-OG 2.97Å; S344-P346 VanDerWaalsContact C-CD 3.48Å; S344-P346 VanDerWaalsContact C-N 3.3Å; S344-S347 PolarHBondContact O-N 2.9Å; S344-S347 VanDerWaalsContact O-N 3.14Å; S344-S347 WeakPolarHBondContact OG-CB 3.44Å; S344-S347 PolarHBondContact OG-N 3.49Å; S344-S347 PolarHBondContact OG-OG 3.29Å; S344-S348 WeakPolarHBondContact O-CB 2.97Å; S344-S348 PolarHBondContact O-N 3.28Å; S344-S348 PolarHBondContact O-OG 3.46Å; S344-S348 VanDerWaalsContact O-OG 3.11Å
345R90.4Very high95.1Very high106 Ų10645.8 Ų45.840%0.424%0.239SC..Hα-helixtrans-50.5-45178-177.9-170.3175.8126-0.6112.3M267 K268 E270 C349M267-R345 HydrophobicContact CE-CG 3.81Å; K268-R345 PolarHBondContact O-NH2 3.34Å; K268-R345 VanDerWaalsContact O-NH2 3.17Å; E270-R345 IonicContact OE2-CZ 3.33Å; E270-R345 IonicContact OE2-NH1 2.74Å; E270-R345 PolarHBondContact OE2-NH1 3.42Å; E270-R345 IonicContact OE2-NH2 3.08Å; R345-C349 WeakPolarHBondContact O-CB 3.24Å; R345-C349 PolarHBondContact O-N 3.33Å; R345-C349 PolarHBondContact O-SG 3.49Å; R345-C349 VanDerWaalsContact O-SG 3.36Å
346P92.4Very high94.9Very high22 Ų2249.4 Ų49.414%0.14326%0.262CS..Hα-helixtrans-59.6-50.5176.2-26.638.3000113.9M267 Y279 V281 S344 S348 C349 L350M267-P346 HydrophobicContact SD-CB 4.22Å; Y279-P346 HydrophobicContact CD1-CG 3.64Å; Y279-P346 HydrophobicContact CE1-CG 4.46Å; Y279-P346 HydrophobicContact CG-CB 4.31Å; Y279-P346 HydrophobicContact CG-CG 3.86Å; V281-P346 VanDerWaalsContact CG2-C 3.49Å; V281-P346 HydrophobicContact CG2-CB 3.64Å; S344-P346 VanDerWaalsContact C-CD 3.48Å; S344-P346 VanDerWaalsContact C-N 3.3Å; P346-S348 PolarHBondContact O-N 3.42Å; P346-C349 PolarHBondContact O-N 2.66Å; P346-L350 PolarHBondContact O-N 3.07Å
347S94.5Very high94.4Very high3 Ų348.6 Ų48.62%0.02128%0.278CS..Hα-helixtrans-64.1-42.1-179.7-62.80000112D341 S344 C349 L350 T351D341-S347 WeakPolarHBondContact O-CB 3.33Å; D341-S347 PolarHBondContact O-OG 3.2Å; S344-S347 PolarHBondContact O-N 2.9Å; S344-S347 VanDerWaalsContact O-N 3.14Å; S344-S347 WeakPolarHBondContact OG-CB 3.44Å; S344-S347 PolarHBondContact OG-N 3.49Å; S344-S347 PolarHBondContact OG-OG 3.29Å; S347-C349 PolarHBondContact O-N 3Å; S347-L350 PolarHBondContact O-N 2.79Å; S347-T351 WeakPolarHBondContact O-CB 3.43Å; S347-T351 WeakPolarHBondContact O-CG2 3.28Å; S347-T351 PolarHBondContact O-N 3.06Å; S347-T351 PolarHBondContact O-OG1 2.92Å
348S94.4Very high94Very high35 Ų3554.2 Ų54.225%0.24530%0.298CS..Hα-helixtrans-63.4-40.3176.9-59.40000111.7V342 S344 P346 T351 N352V342-S348 PolarHBondContact O-OG 3.23Å; S344-S348 WeakPolarHBondContact O-CB 2.97Å; S344-S348 PolarHBondContact O-N 3.28Å; S344-S348 PolarHBondContact O-OG 3.46Å; S344-S348 VanDerWaalsContact O-OG 3.11Å; P346-S348 PolarHBondContact O-N 3.42Å; S348-T351 WeakPolarHBondContact CA-OG1 3.32Å; S348-T351 PolarHBondContact O-OG1 3.41Å; S348-N352 VanDerWaalsContact O-CB 3.26Å; S348-N352 WeakPolarHBondContact O-CB 3.43Å; S348-N352 PolarHBondContact O-N 3.37Å; S348-N352 PolarHBondContact O-ND2 3.01Å
349C92.3Very high93.8Very high59 Ų5956.2 Ų56.240%0.39931%0.312SS..Hα-helixtrans-65.3-43.3175.7-75.10000112.2M267 R345 P346 S347 F353M267-C349 HydrophobicContact CE-CB 3.66Å; M267-C349 WeakPolarHBondContact CE-SG 3.14Å; M267-C349 HydrophobicContact SD-CB 4.2Å; R345-C349 WeakPolarHBondContact O-CB 3.24Å; R345-C349 PolarHBondContact O-N 3.33Å; R345-C349 PolarHBondContact O-SG 3.49Å; R345-C349 VanDerWaalsContact O-SG 3.36Å; P346-C349 PolarHBondContact O-N 2.66Å; S347-C349 PolarHBondContact O-N 3Å; C349-F353 VanDerWaalsContact O-CB 3.28Å; C349-F353 WeakPolarHBondContact O-CB 3.4Å; C349-F353 PolarHBondContact O-N 2.8Å
350L94.2Very high93.6Very high1 Ų155.9 Ų55.91%0.00531%0.31CS..Hα-helixtrans-64.3-48.8177.6178.9143.8000111.9I262 I265 V281 W318 P346 S347 F353 L354 L377I262-L350 HydrophobicContact CB-CD1 4.42Å; I262-L350 HydrophobicContact CD1-CD1 3.77Å; I262-L350 HydrophobicContact CG2-CD1 4.17Å; I265-L350 HydrophobicContact CD1-CD1 3.51Å; I265-L350 HydrophobicContact CG1-CD1 4.14Å; V281-L350 HydrophobicContact CB-CD1 4.36Å; V281-L350 HydrophobicContact CG2-CB 4.48Å; W318-L350 HydrophobicContact CE3-CD1 4.38Å; W318-L350 HydrophobicContact CZ3-CD1 4.17Å; W318-L350 HydrophobicContact CZ3-CG 4.36Å; P346-L350 PolarHBondContact O-N 3.07Å; S347-L350 PolarHBondContact O-N 2.79Å; L350-F353 WeakPolarHBondContact O-CB 3.15Å; L350-F353 PolarHBondContact O-N 2.93Å; L350-L354 HydrophobicContact CD2-CD1 3.67Å; L350-L354 HydrophobicContact CG-CD1 4.35Å; L350-L354 WeakPolarHBondContact O-CG 3.48Å; L350-L354 PolarHBondContact O-N 3.07Å; L350-L354 VanDerWaalsContact O-N 3.16Å; L350-L377 HydrophobicContact CD2-CD1 4.41Å
351T96.3Very high93.5Very high18 Ų1855.7 Ų55.711%0.1131%0.308CS..Hα-helixtrans-65.2-46.3-178.248.90000111.6P339 S347 S348 F353 L354 L355 I384P339-T351 HydrophobicContact CG-CG2 3.72Å; S347-T351 WeakPolarHBondContact O-CB 3.43Å; S347-T351 WeakPolarHBondContact O-CG2 3.28Å; S347-T351 PolarHBondContact O-N 3.06Å; S347-T351 PolarHBondContact O-OG1 2.92Å; S348-T351 WeakPolarHBondContact CA-OG1 3.32Å; S348-T351 PolarHBondContact O-OG1 3.41Å; T351-F353 VanDerWaalsContact C-N 3.29Å; T351-F353 PolarHBondContact O-N 3.06Å; T351-L354 WeakPolarHBondContact O-CB 3.18Å; T351-L354 PolarHBondContact O-N 3.11Å; T351-L355 VanDerWaalsContact O-CG 3.3Å; T351-L355 WeakPolarHBondContact O-CG 3.46Å; T351-L355 PolarHBondContact O-N 3.11Å; T351-I384 HydrophobicContact CG2-CD1 4.01Å
352N95.2Very high93.5Very high88 Ų8850.7 Ų50.747%0.47128%0.282SS..Hα-helixtrans-63.3-34.7176.2-75.3-60.8000112.7S348 L354 L355 N356S348-N352 VanDerWaalsContact O-CB 3.26Å; S348-N352 WeakPolarHBondContact O-CB 3.43Å; S348-N352 PolarHBondContact O-N 3.37Å; S348-N352 PolarHBondContact O-ND2 3.01Å; N352-L354 VanDerWaalsContact C-N 3.28Å; N352-L354 PolarHBondContact O-N 2.92Å; N352-L355 PolarHBondContact O-N 2.85Å; N352-N356 WeakPolarHBondContact O-CB 3.38Å; N352-N356 PolarHBondContact O-N 3.48Å; N352-N356 PolarHBondContact O-ND2 2.94Å; N352-N356 VanDerWaalsContact O-ND2 3.12Å
353F93.4Very high93.4Very high46 Ų4649.8 Ų49.820%0.20227%0.274CS..Hα-helixtrans-59.4-41.7173-179.6-86.3000111.8W318 P321 C349 L350 T351 R358 V360W318-F353 AromaticContact CH2-CD1 3.59Å; W318-F353 HydrophobicContact CH2-CD1 3.59Å; W318-F353 HydrophobicContact CH2-CD2 4.41Å; W318-F353 AromaticContact CH2-CE1 3.63Å; W318-F353 HydrophobicContact CH2-CE1 3.63Å; W318-F353 HydrophobicContact CH2-CE2 4.43Å; W318-F353 AromaticContact CH2-CG 3.99Å; W318-F353 HydrophobicContact CH2-CG 3.99Å; W318-F353 HydrophobicContact CH2-CZ 4.06Å; W318-F353 HydrophobicContact CZ2-CD1 4.28Å; W318-F353 AromaticContact CZ2-CE1 3.87Å; W318-F353 HydrophobicContact CZ2-CE1 3.87Å; W318-F353 HydrophobicContact CZ2-CE2 4.39Å; W318-F353 AromaticContact CZ2-CZ 3.92Å; W318-F353 HydrophobicContact CZ2-CZ 3.92Å; P321-F353 HydrophobicContact CG-CZ 4.3Å; C349-F353 VanDerWaalsContact O-CB 3.28Å; C349-F353 WeakPolarHBondContact O-CB 3.4Å; C349-F353 PolarHBondContact O-N 2.8Å; L350-F353 WeakPolarHBondContact O-CB 3.15Å; L350-F353 PolarHBondContact O-N 2.93Å; T351-F353 VanDerWaalsContact C-N 3.29Å; T351-F353 PolarHBondContact O-N 3.06Å; F353-R358 HydrophobicContact CD1-CB 4.03Å; F353-R358 HydrophobicContact CE1-CB 3.49Å; F353-R358 VanDerWaalsContact CE1-CB 3.49Å; F353-R358 HydrophobicContact CE2-CB 4.47Å; F353-R358 HydrophobicContact CZ-CB 3.75Å; F353-R358 HydrophobicContact CZ-CG 4.34Å; F353-R358 VanDerWaalsContact CZ-CZ 3.46Å; F353-V360 HydrophobicContact CD1-CG2 3.81Å; F353-V360 HydrophobicContact CE1-CG2 3.62Å
354L95.2Very high93.1Very high0 Ų043.2 Ų43.20%024%0.239CC..Hα-helixtrans-71.3-43.4177.8-64.8167.5000112L350 T351 N352 N356 G357 R358 V360 L377 S379 I384L350-L354 HydrophobicContact CD2-CD1 3.67Å; L350-L354 HydrophobicContact CG-CD1 4.35Å; L350-L354 WeakPolarHBondContact O-CG 3.48Å; L350-L354 PolarHBondContact O-N 3.07Å; L350-L354 VanDerWaalsContact O-N 3.16Å; T351-L354 WeakPolarHBondContact O-CB 3.18Å; T351-L354 PolarHBondContact O-N 3.11Å; N352-L354 VanDerWaalsContact C-N 3.28Å; N352-L354 PolarHBondContact O-N 2.92Å; L354-N356 PolarHBondContact O-N 3.3Å; L354-G357 PolarHBondContact O-N 2.77Å; L354-R358 WeakPolarHBondContact CA-O 3.49Å; L354-R358 WeakPolarHBondContact CD2-O 3.22Å; L354-V360 HydrophobicContact CD2-CB 4.24Å; L354-V360 HydrophobicContact CD2-CG2 3.66Å; L354-L377 HydrophobicContact CD1-CB 3.87Å; L354-L377 HydrophobicContact CD1-CD1 4.13Å; L354-L377 HydrophobicContact CD1-CG 4.48Å; L354-L377 HydrophobicContact CD2-CB 3.71Å; L354-L377 HydrophobicContact CG-CB 4.48Å; L354-S379 WeakPolarHBondContact O-CB 3.24Å; L354-I384 HydrophobicContact CB-CD1 4.09Å; L354-I384 HydrophobicContact CB-CG1 4.38Å; L354-I384 HydrophobicContact CD1-CD1 4.11Å; L354-I384 HydrophobicContact CD1-CG2 3.75Å
355L95.7Very high92.5Very high80 Ų8043.5 Ų43.542%0.41924%0.24SC..Hα-helixtrans-62.9-27.1178.5-67.9173.9000112.7T351 N352 G357 G382 I384T351-L355 VanDerWaalsContact O-CG 3.3Å; T351-L355 WeakPolarHBondContact O-CG 3.46Å; T351-L355 PolarHBondContact O-N 3.11Å; N352-L355 PolarHBondContact O-N 2.85Å; L355-G357 PolarHBondContact O-N 3.42Å; L355-G357 VanDerWaalsContact O-N 3.13Å; L355-G382 VanDerWaalsContact CD2-O 3.24Å; L355-G382 WeakPolarHBondContact CD2-O 3.47Å; L355-I384 HydrophobicContact CD2-CD1 4.33Å; L355-I384 HydrophobicContact CD2-CG1 4.21Å; L355-I384 HydrophobicContact CG-CD1 4.33Å
356N94.1Very high91.9Very high134 Ų13443.6 Ų43.672%0.71724%0.24SC*.THydrogen-bonded Turntrans-72.15.6171.7-73.2-28.6000114.1N352 L354N352-N356 WeakPolarHBondContact O-CB 3.38Å; N352-N356 PolarHBondContact O-N 3.48Å; N352-N356 PolarHBondContact O-ND2 2.94Å; N352-N356 VanDerWaalsContact O-ND2 3.12Å; L354-N356 PolarHBondContact O-N 3.3Å
357G88.8Confident90.6Very high60 Ų6051.6 Ų51.662%0.61927%0.273SS*.THydrogen-bonded Turntrans89.84.3173.900000115L354 L355L354-G357 PolarHBondContact O-N 2.77Å; L355-G357 PolarHBondContact O-N 3.42Å; L355-G357 VanDerWaalsContact O-N 3.13Å
358R89.8Confident89.2Confident129 Ų12956.4 Ų56.449%0.48731%0.307SS..  trans-88.5142.2174.7-61.9-174.270-178.3-0.1110.1F353 L354F353-R358 HydrophobicContact CD1-CB 4.03Å; F353-R358 HydrophobicContact CE1-CB 3.49Å; F353-R358 VanDerWaalsContact CE1-CB 3.49Å; F353-R358 HydrophobicContact CE2-CB 4.47Å; F353-R358 HydrophobicContact CZ-CB 3.75Å; F353-R358 HydrophobicContact CZ-CG 4.34Å; F353-R358 VanDerWaalsContact CZ-CZ 3.46Å; L354-R358 WeakPolarHBondContact CA-O 3.49Å; L354-R358 WeakPolarHBondContact CD2-O 3.22Å
359S93.2Very high88.1Confident42 Ų4258.3 Ų58.329%0.29433%0.331SS..  trans-101.7155.1174.1-59.40000111.2P321 L377 S378P321-S359 WeakPolarHBondContact CG-O 3.15Å; S359-L377 CarbonylContact C-O 3.45Å; S359-L377 VanDerWaalsContact CA-O 3.24Å; S359-L377 WeakPolarHBondContact CA-O 3.44Å; S359-L377 WeakPolarHBondContact CB-O 3.46Å; S359-S378 WeakPolarHBondContact OG-CB 3.49Å; S359-S378 PolarHBondContact OG-OG 3.25Å
360V93.8Very high87.4Confident0 Ų060.1 Ų60.10%035%0.345CS..EExtended strand (participates in β ladder)trans-121.8121.3-178.7177.80000108.9W318 F353 L354 L362 M376 L377W318-V360 HydrophobicContact CD2-CG1 3.58Å; W318-V360 HydrophobicContact CD2-CG2 4.47Å; W318-V360 HydrophobicContact CE3-CB 4.33Å; W318-V360 HydrophobicContact CE3-CG1 3.39Å; W318-V360 HydrophobicContact CE3-CG2 3.98Å; W318-V360 HydrophobicContact CG-CG1 4.21Å; W318-V360 HydrophobicContact CH2-CB 4.35Å; W318-V360 HydrophobicContact CH2-CG1 4.16Å; W318-V360 HydrophobicContact CH2-CG2 3.25Å; W318-V360 HydrophobicContact CZ2-CG1 4.29Å; W318-V360 HydrophobicContact CZ2-CG2 3.79Å; W318-V360 HydrophobicContact CZ3-CB 4.16Å; W318-V360 HydrophobicContact CZ3-CG1 3.72Å; W318-V360 HydrophobicContact CZ3-CG2 3.36Å; F353-V360 HydrophobicContact CD1-CG2 3.81Å; F353-V360 HydrophobicContact CE1-CG2 3.62Å; L354-V360 HydrophobicContact CD2-CB 4.24Å; L354-V360 HydrophobicContact CD2-CG2 3.66Å; V360-L362 HydrophobicContact CG1-CD2 3.91Å; V360-M376 CarbonylContact O-C 3.51Å; V360-M376 VanDerWaalsContact O-CA 3.22Å; V360-M376 WeakPolarHBondContact O-CA 3.41Å; V360-M376 WeakPolarHBondContact O-CG 3.41Å; V360-L377 HydrophobicContact CB-CB 4.33Å; V360-L377 PolarHBondContact N-O 2.62Å; V360-L377 PolarHBondContact O-N 2.89Å
361L94.5Very high87Confident12 Ų1267.2 Ų67.26%0.06338%0.376CS..EExtended strand (participates in β ladder)trans-81.5143.3171.3-67.5-176.4000110.1C319 N325 I373 M376 L389C319-L361 HydrophobicContact CB-CB 3.96Å; C319-L361 WeakPolarHBondContact CB-O 3.34Å; C319-L361 PolarHBondContact N-O 3.06Å; N325-L361 WeakPolarHBondContact ND2-CD1 3.37Å; L361-I373 HydrophobicContact CB-CD1 4.34Å; L361-I373 HydrophobicContact CB-CG2 4Å; L361-I373 HydrophobicContact CD1-CD1 3.77Å; L361-I373 HydrophobicContact CD1-CG2 4.42Å; L361-I373 HydrophobicContact CD2-CG2 4.09Å; L361-I373 HydrophobicContact CG-CG2 4.4Å; L361-M376 HydrophobicContact CD2-CB 3.82Å; L361-M376 HydrophobicContact CD2-CG 3.84Å; L361-M376 HydrophobicContact CD2-SD 3.93Å; L361-L389 HydrophobicContact CD2-CD1 4.12Å
362L94.7Very high86.6Confident0 Ų067.1 Ų67.10%038%0.375CS..EExtended strand (participates in β ladder)trans-120.6119.1-175-62.8-179.1000110.5I262 L316 K317 V360 I373 S374 H375 L377 L386I262-L362 HydrophobicContact CG1-CD2 4.39Å; I262-L362 HydrophobicContact CG2-CD2 3.97Å; L316-L362 HydrophobicContact CB-CB 4.09Å; L316-L362 HydrophobicContact CB-CD1 4.48Å; L316-L362 HydrophobicContact CD1-CB 4.01Å; L316-L362 HydrophobicContact CD1-CD1 3.85Å; K317-L362 WeakPolarHBondContact O-CA 3.48Å; V360-L362 HydrophobicContact CG1-CD2 3.91Å; L362-I373 WeakPolarHBondContact O-CA 3.34Å; L362-S374 PolarHBondContact O-N 3.1Å; L362-S374 VanDerWaalsContact O-N 3.09Å; L362-H375 HydrophobicContact CB-CB 3.99Å; L362-H375 WeakPolarHBondContact CB-O 3.3Å; L362-H375 HydrophobicContact CD1-CB 4Å; L362-H375 HydrophobicContact CG-CB 4.48Å; L362-H375 PolarHBondContact N-O 3.35Å; L362-L377 HydrophobicContact CD1-CD1 4.16Å; L362-L377 HydrophobicContact CD1-CG 4.04Å; L362-L386 HydrophobicContact CD1-CD1 3.81Å
363E91.8Very high86.4Confident24 Ų2466 Ų6611%0.11237%0.368CS..EExtended strand (participates in β ladder)trans-93.1132.7-179.8172.9-175.3163.300110.6K317 C319 K371 V372K317-E363 HydrophobicContact CB-CB 4.29Å; K317-E363 PolarHBondContact N-O 2.94Å; K317-E363 PolarHBondContact O-N 3.24Å; C319-E363 WeakPolarHBondContact SG-CB 3.29Å; E363-K371 HydrophobicContact CG-CB 4.44Å; E363-K371 WeakPolarHBondContact OE1-CG 3.47Å; E363-K371 IonicContact OE1-NZ 2.72Å; E363-K371 WeakPolarHBondContact OE2-CD 3.4Å; E363-K371 WeakPolarHBondContact OE2-CE 3.5Å; E363-K371 IonicContact OE2-NZ 2.59Å; E363-K371 PolarHBondContact OE2-NZ 3.07Å; E363-V372 CarbonylContact C-O 3.52Å; E363-V372 WeakPolarHBondContact CA-O 3.41Å
364Q86.9Confident86.3Confident11 Ų1164 Ų645%0.05136%0.36CS..EExtended strand (participates in β ladder)trans-75.4125.1169.2-175.7-1771.800109.4F293 L316 R366 V372F293-Q364 HydrophobicContact CE2-CB 4.41Å; F293-Q364 HydrophobicContact CE2-CG 3.71Å; F293-Q364 VanDerWaalsContact CE2-NE2 3.27Å; F293-Q364 HydrophobicContact CZ-CG 3.98Å; L316-Q364 HydrophobicContact CD2-CB 4.49Å; Q364-R366 PolarHBondContact O-N 3.02Å; Q364-V372 PolarHBondContact N-O 2.75Å
365P82Confident86.3Confident44 Ų4464.2 Ų64.229%0.28636%0.361SS..PPolyproline II helixtrans-66.2120.8175.425.1-30.4000110.5T315 K317T315-P365 WeakPolarHBondContact O-CD 3.46Å; T315-P365 WeakPolarHBondContact O-CG 3.43Å; K317-P365 HydrophobicContact CD-CB 4.22Å
366R76.7Confident86.4Confident107 Ų10761.4 Ų61.440%0.40435%0.346SS..  trans-116.2147.5173.2-69.1-172.9167.5-166.3-5111.1D298 Q364 V372D298-R366 IonicContact OD2-CZ 3.88Å; D298-R366 VanDerWaalsContact OD2-CZ 3.29Å; D298-R366 IonicContact OD2-NE 2.77Å; D298-R366 PolarHBondContact OD2-NE 3.08Å; D298-R366 IonicContact OD2-NH2 3.99Å; D298-R366 PolarHBondContact OD2-NH2 2.83Å; Q364-R366 PolarHBondContact O-N 3.02Å; R366-V372 VanDerWaalsContact CZ-CG2 3.48Å
367K65.6Low86.5Confident191 Ų19155 Ų5583%0.8331%0.312SS*.SBendtrans-71.9-30.2176.8-68.7-177179.9178.10112.2
368S65.5Low86.9Confident104 Ų10452.9 Ų52.973%0.72729%0.287SS*.SBendtrans-154.9157.7177.557.70000110.4
369G70.5Confident87.3Confident74 Ų7447.8 Ų47.876%0.76327%0.272SS*.SBendtrans106.2-179.2179.200000114.5
370S78.5Confident87.4Confident98 Ų9850.3 Ų50.369%0.68528%0.279SS*.SBendtrans-69.5153.7175.452.50000111.2V372S370-V372 PolarHBondContact O-N 3.12Å
371K84.3Confident87.4Confident150 Ų15054.8 Ų54.865%0.65233%0.325SS*.  trans-60.3135.4174.8-63-173.5159-132.40110.3E363E363-K371 HydrophobicContact CG-CB 4.44Å; E363-K371 WeakPolarHBondContact OE1-CG 3.47Å; E363-K371 IonicContact OE1-NZ 2.72Å; E363-K371 WeakPolarHBondContact OE2-CD 3.4Å; E363-K371 WeakPolarHBondContact OE2-CE 3.5Å; E363-K371 IonicContact OE2-NZ 2.59Å; E363-K371 PolarHBondContact OE2-NZ 3.07Å
372V88.1Confident87.4Confident16 Ų1656.5 Ų56.510%0.09735%0.346CS..EExtended strand (participates in β ladder)trans-117.7112.8177.4178.80000109.4E363 Q364 R366 S370 S391E363-V372 CarbonylContact C-O 3.52Å; E363-V372 WeakPolarHBondContact CA-O 3.41Å; Q364-V372 PolarHBondContact N-O 2.75Å; R366-V372 VanDerWaalsContact CZ-CG2 3.48Å; S370-V372 PolarHBondContact O-N 3.12Å; V372-S391 VanDerWaalsContact CG1-CB 3.49Å
373I91.4Very high87.5Confident64 Ų6460.6 Ų60.633%0.32836%0.364SS..EExtended strand (participates in β ladder)trans-87.2117.8171.9-55.3-176.6000106.7L361 L362 L389L361-I373 HydrophobicContact CB-CD1 4.34Å; L361-I373 HydrophobicContact CB-CG2 4Å; L361-I373 HydrophobicContact CD1-CD1 3.77Å; L361-I373 HydrophobicContact CD1-CG2 4.42Å; L361-I373 HydrophobicContact CD2-CG2 4.09Å; L361-I373 HydrophobicContact CG-CG2 4.4Å; L362-I373 WeakPolarHBondContact O-CA 3.34Å; I373-L389 HydrophobicContact CG2-CD1 4.07Å
374S92.3Very high87.9Confident5 Ų560.4 Ų60.44%0.03536%0.364CS..EExtended strand (participates in β ladder)trans-113-24.9-175.454.80000112.6L362 L389L362-S374 PolarHBondContact O-N 3.1Å; L362-S374 VanDerWaalsContact O-N 3.09Å; S374-L389 WeakPolarHBondContact O-CB 3.49Å; S374-L389 PolarHBondContact O-N 3.11Å
375H95.3Very high88.4Confident3 Ų361.2 Ų61.21%0.01437%0.368CS..EExtended strand (participates in β ladder)trans-140.1165.4-176.7-60.277.1000111.8A289 H290 L316 L362 L386 H387A289-H375 PolarHBondContact O-NE2 2.7Å; H290-H375 AromaticContact ND1-NE2 3.83Å; L316-H375 HydrophobicContact CD1-CB 4.09Å; L362-H375 HydrophobicContact CB-CB 3.99Å; L362-H375 WeakPolarHBondContact CB-O 3.3Å; L362-H375 HydrophobicContact CD1-CB 4Å; L362-H375 HydrophobicContact CG-CB 4.48Å; L362-H375 PolarHBondContact N-O 3.35Å; H375-L386 HydrophobicContact CB-CD1 3.76Å; H375-H387 CarbonylContact C-O 3.46Å; H375-H387 WeakPolarHBondContact CA-O 3.02Å; H375-H387 WeakPolarHBondContact CB-O 3.36Å
376M96.2Very high89.2Confident22 Ų2259.2 Ų59.211%0.10836%0.355CS..EExtended strand (participates in β ladder)trans-141.3136.4171.2177.3179.57200110.3V360 L361 H387 L389V360-M376 CarbonylContact O-C 3.51Å; V360-M376 VanDerWaalsContact O-CA 3.22Å; V360-M376 WeakPolarHBondContact O-CA 3.41Å; V360-M376 WeakPolarHBondContact O-CG 3.41Å; L361-M376 HydrophobicContact CD2-CB 3.82Å; L361-M376 HydrophobicContact CD2-CG 3.84Å; L361-M376 HydrophobicContact CD2-SD 3.93Å; M376-H387 HydrophobicContact CB-CB 4.2Å; M376-H387 HydrophobicContact CE-CB 4.27Å; M376-H387 PolarHBondContact N-O 3.39Å; M376-H387 WeakPolarHBondContact O-CB 3.16Å; M376-H387 PolarHBondContact O-N 2.93Å; M376-L389 HydrophobicContact CB-CD1 4.01Å; M376-L389 HydrophobicContact CB-CG 4.4Å
377L97.6Very high90.2Very high0 Ų055.2 Ų55.20%034%0.34CS..EExtended strand (participates in β ladder)trans-93.7132.8165.8-73.6166.1000110I262 L283 I337 L350 L354 S359 V360 L362 I384 F385 L386I262-L377 HydrophobicContact CD1-CD1 3.37Å; L283-L377 HydrophobicContact CD1-CD1 3.99Å; L283-L377 HydrophobicContact CD1-CD2 4.03Å; I337-L377 HydrophobicContact CG1-CD2 4.44Å; I337-L377 HydrophobicContact CG2-CD2 4.24Å; L350-L377 HydrophobicContact CD2-CD1 4.41Å; L354-L377 HydrophobicContact CD1-CB 3.87Å; L354-L377 HydrophobicContact CD1-CD1 4.13Å; L354-L377 HydrophobicContact CD1-CG 4.48Å; L354-L377 HydrophobicContact CD2-CB 3.71Å; L354-L377 HydrophobicContact CG-CB 4.48Å; S359-L377 CarbonylContact C-O 3.45Å; S359-L377 VanDerWaalsContact CA-O 3.24Å; S359-L377 WeakPolarHBondContact CA-O 3.44Å; S359-L377 WeakPolarHBondContact CB-O 3.46Å; V360-L377 HydrophobicContact CB-CB 4.33Å; V360-L377 PolarHBondContact N-O 2.62Å; V360-L377 PolarHBondContact O-N 2.89Å; L362-L377 HydrophobicContact CD1-CD1 4.16Å; L362-L377 HydrophobicContact CD1-CG 4.04Å; L377-I384 HydrophobicContact CD2-CG2 4.17Å; L377-F385 WeakPolarHBondContact CA-O 3.4Å; L377-L386 HydrophobicContact CD2-CB 4.13Å; L377-L386 HydrophobicContact CD2-CD1 3.98Å; L377-L386 HydrophobicContact CG-CD1 4.24Å
378S96.9Very high91.6Very high14 Ų1446.5 Ų46.510%0.09830%0.303CS..EExtended strand (participates in β ladder)trans-149.7140.7-179.7-167.10000110.9S359 F385S359-S378 WeakPolarHBondContact OG-CB 3.49Å; S359-S378 PolarHBondContact OG-OG 3.25Å; S378-F385 PolarHBondContact N-O 3.31Å; S378-F385 PolarHBondContact O-N 3.48Å
379S97.3Very high93Very high23 Ų2342.3 Ų42.316%0.16127%0.272CS..EExtended strand (participates in β ladder)trans-92135.6175-179.80000110.8L354 G382 E383L354-S379 WeakPolarHBondContact O-CB 3.24Å; S379-G382 PolarHBondContact OG-N 2.84Å; S379-E383 CarbonylContact C-O 3.56Å; S379-E383 WeakPolarHBondContact CA-O 3.25Å
380H96.1Very high93.8Very high95 Ų9541.6 Ų41.644%0.4426%0.256SS..EExtended strand (participates in β ladder)trans-123.897.9177.4-65.3-92.9000107.8G382 E383 F385 H387H380-G382 PolarHBondContact O-N 2.97Å; H380-E383 PolarHBondContact N-O 2.71Å; H380-E383 PolarHBondContact O-N 2.74Å; H380-E383 VanDerWaalsContact O-N 3.15Å; H380-F385 HydrophobicContact CB-CD2 4.17Å; H380-F385 HydrophobicContact CB-CE2 4.08Å; H380-F385 AromaticContact CD2-CD2 3.66Å; H380-H387 AromaticContact CD2-NE2 3.82Å; H380-H387 AromaticContact NE2-CE1 3.52Å; H380-H387 AromaticContact NE2-NE2 3.09Å; H380-H387 PolarHBondContact NE2-NE2 3.08Å
381G93.1Very high94Very high94 Ų9439.8 Ų39.897%0.96924%0.243SC*.THydrogen-bonded Turntrans6424178.400000115.1
382G94.9Very high94Very high48 Ų4836.4 Ų36.450%0.49524%0.239SC..THydrogen-bonded Turntrans101.7-11.4-17700000114.2L355 S379 H380L355-G382 VanDerWaalsContact CD2-O 3.24Å; L355-G382 WeakPolarHBondContact CD2-O 3.47Å; S379-G382 PolarHBondContact OG-N 2.84Å; H380-G382 PolarHBondContact O-N 2.97Å
383E97.6Very high93.8Very high85 Ų8545.1 Ų45.140%0.39727%0.27SS..EExtended strand (participates in β ladder)trans-94.9131.5173.6-69.1-179.4-147.500110.9R336 S379 H380 F385R336-E383 IonicContact CZ-OE2 3.26Å; R336-E383 IonicContact NE-OE2 2.83Å; R336-E383 PolarHBondContact NE-OE2 3.16Å; R336-E383 IonicContact NH2-OE2 3.04Å; R336-E383 PolarHBondContact NH2-OE2 3.46Å; S379-E383 CarbonylContact C-O 3.56Å; S379-E383 WeakPolarHBondContact CA-O 3.25Å; H380-E383 PolarHBondContact N-O 2.71Å; H380-E383 PolarHBondContact O-N 2.74Å; H380-E383 VanDerWaalsContact O-N 3.15Å; E383-F385 HydrophobicContact CB-CD2 4.38Å; E383-F385 HydrophobicContact CB-CE2 3.66Å; E383-F385 HydrophobicContact CB-CZ 4.43Å; E383-F385 WeakPolarHBondContact O-CD2 3.46Å
384I98.5Very high93.7Very high21 Ų2145 Ų4511%0.10827%0.274CS..EExtended strand (participates in β ladder)trans-96.3130-177.9-56.8173.5000110.2I337 T351 L354 L355 L377I337-I384 HydrophobicContact CD1-CB 4Å; I337-I384 HydrophobicContact CD1-CG2 3.88Å; I337-I384 HydrophobicContact CG1-CB 3.89Å; I337-I384 HydrophobicContact CG1-CG2 3.59Å; I337-I384 PolarHBondContact N-O 2.87Å; T351-I384 HydrophobicContact CG2-CD1 4.01Å; L354-I384 HydrophobicContact CB-CD1 4.09Å; L354-I384 HydrophobicContact CB-CG1 4.38Å; L354-I384 HydrophobicContact CD1-CD1 4.11Å; L354-I384 HydrophobicContact CD1-CG2 3.75Å; L355-I384 HydrophobicContact CD2-CD1 4.33Å; L355-I384 HydrophobicContact CD2-CG1 4.21Å; L355-I384 HydrophobicContact CG-CD1 4.33Å; L377-I384 HydrophobicContact CD2-CG2 4.17Å
385F98.6Very high93.7Very high28 Ų2852.7 Ų52.712%0.12331%0.313CS..EExtended strand (participates in β ladder)trans-119.8140.9177.7-68.2-101.1000111.6A334 Y335 R336 L377 S378 H380 E383A334-F385 HydrophobicContact CB-CB 4.38Å; A334-F385 HydrophobicContact CB-CD1 4.18Å; Y335-F385 CarbonylContact O-C 3.49Å; Y335-F385 VanDerWaalsContact O-CA 3.32Å; Y335-F385 WeakPolarHBondContact O-CA 3.14Å; R336-F385 HydrophobicContact CG-CD1 3.96Å; R336-F385 HydrophobicContact CG-CE1 3.46Å; R336-F385 VanDerWaalsContact CG-CE1 3.46Å; R336-F385 HydrophobicContact CG-CE2 4.44Å; R336-F385 HydrophobicContact CG-CZ 3.74Å; L377-F385 WeakPolarHBondContact CA-O 3.4Å; S378-F385 PolarHBondContact N-O 3.31Å; S378-F385 PolarHBondContact O-N 3.48Å; H380-F385 HydrophobicContact CB-CD2 4.17Å; H380-F385 HydrophobicContact CB-CE2 4.08Å; H380-F385 AromaticContact CD2-CD2 3.66Å; E383-F385 HydrophobicContact CB-CD2 4.38Å; E383-F385 HydrophobicContact CB-CE2 3.66Å; E383-F385 HydrophobicContact CB-CZ 4.43Å; E383-F385 WeakPolarHBondContact O-CD2 3.46Å
386L98.3Very high93.5Very high2 Ų259 Ų591%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-89.4108.4163.1-17864.5000108.9A289 A334 Y335 I337 L362 H375 L377A289-L386 HydrophobicContact CB-CD2 3.94Å; A334-L386 WeakPolarHBondContact CA-O 3.41Å; Y335-L386 PolarHBondContact N-O 3.26Å; Y335-L386 PolarHBondContact O-N 3.42Å; I337-L386 HydrophobicContact CG2-CB 3.61Å; L362-L386 HydrophobicContact CD1-CD1 3.81Å; H375-L386 HydrophobicContact CB-CD1 3.76Å; L377-L386 HydrophobicContact CD2-CB 4.13Å; L377-L386 HydrophobicContact CD2-CD1 3.98Å; L377-L386 HydrophobicContact CG-CD1 4.24Å
387H97.5Very high93.3Very high22 Ų2262 Ų6210%0.10236%0.36CS..EExtended strand (participates in β ladder)trans-86.4130.6175.8-68.6-107.1000109.7C331 H375 M376 H380 L389C331-H387 PolarHBondContact SG-ND1 3.14Å; C331-H387 VanDerWaalsContact SG-ND1 3.39Å; H375-H387 CarbonylContact C-O 3.46Å; H375-H387 WeakPolarHBondContact CA-O 3.02Å; H375-H387 WeakPolarHBondContact CB-O 3.36Å; M376-H387 HydrophobicContact CB-CB 4.2Å; M376-H387 HydrophobicContact CE-CB 4.27Å; M376-H387 PolarHBondContact N-O 3.39Å; M376-H387 WeakPolarHBondContact O-CB 3.16Å; M376-H387 PolarHBondContact O-N 2.93Å; H380-H387 AromaticContact CD2-NE2 3.82Å; H380-H387 AromaticContact NE2-CE1 3.52Å; H380-H387 AromaticContact NE2-NE2 3.09Å; H380-H387 PolarHBondContact NE2-NE2 3.08Å; H387-L389 HydrophobicContact CB-CD2 4.36Å
388V96.1Very high93Very high8 Ų869.4 Ų69.45%0.04840%0.4CS..EExtended strand (participates in β ladder)trans-90.7118.6172.8-175.30000108.2A289 D292 C331 T332 G333 Y335A289-V388 HydrophobicContact CB-CG2 4.26Å; A289-V388 WeakPolarHBondContact O-CG2 3.48Å; D292-V388 HydrophobicContact CB-CG1 4.45Å; C331-V388 CarbonylContact C-O 3.48Å; C331-V388 WeakPolarHBondContact CA-O 3.31Å; T332-V388 PolarHBondContact N-O 3.32Å; T332-V388 WeakPolarHBondContact OG1-CG1 3.07Å; T332-V388 PolarHBondContact OG1-O 3.13Å; G333-V388 PolarHBondContact O-N 2.91Å; Y335-V388 HydrophobicContact CD2-CG2 4.07Å; Y335-V388 HydrophobicContact CE2-CG2 3.76Å
389L93Very high92.9Very high16 Ų1673.1 Ų73.18%0.08442%0.424CS..EExtended strand (participates in β ladder)trans-102.2149.4-177.9-56-174.1000110.6H329 C331 L361 I373 S374 M376 H387 S391H329-L389 HydrophobicContact CB-CD2 3.86Å; C331-L389 HydrophobicContact CB-CD2 4.48Å; L361-L389 HydrophobicContact CD2-CD1 4.12Å; I373-L389 HydrophobicContact CG2-CD1 4.07Å; S374-L389 WeakPolarHBondContact O-CB 3.49Å; S374-L389 PolarHBondContact O-N 3.11Å; M376-L389 HydrophobicContact CB-CD1 4.01Å; M376-L389 HydrophobicContact CB-CG 4.4Å; H387-L389 HydrophobicContact CB-CD2 4.36Å; L389-S391 PolarHBondContact O-N 3.26Å
390S88Confident92.7Very high59 Ų5977.8 Ų77.841%0.41345%0.453SS..  trans-70.3115.7170.7-179.20000110.5S392S390-S392 PolarHBondContact OG-O 3.26Å
391S83.1Confident92.6Very high61 Ų6175.7 Ų75.743%0.42745%0.45SS..  trans-92-15.517156.70000113.2V372 L389V372-S391 VanDerWaalsContact CG1-CB 3.49Å; L389-S391 PolarHBondContact O-N 3.26Å
392S83.4Confident92.6Very high79 Ų7978.4 Ų78.455%0.55244%0.44SS*.SBendtrans-81.2156.4-178.9-66.80000111.7S390 S394S390-S392 PolarHBondContact OG-O 3.26Å; S392-S394 PolarHBondContact O-N 3.11Å
393R84.6Confident92.5Very high199 Ų19978.7 Ų78.775%0.75143%0.434SS*.PPolyproline II helixtrans-55.7126.6172.6-166.9173.6-164.9-145.4-24.4109I395 E397R393-I395 PolarHBondContact O-N 3.17Å; R393-E397 WeakPolarHBondContact CD-OE1 3.29Å; R393-E397 VanDerWaalsContact CG-OE1 3.32Å; R393-E397 WeakPolarHBondContact CG-OE1 3.39Å; R393-E397 VanDerWaalsContact CG-OE2 3.26Å; R393-E397 WeakPolarHBondContact CG-OE2 3.24Å; R393-E397 IonicContact CZ-OE1 3.84Å; R393-E397 IonicContact CZ-OE2 3.29Å; R393-E397 VanDerWaalsContact CZ-OE2 3.26Å; R393-E397 IonicContact NE-OE1 3.86Å; R393-E397 PolarHBondContact NE-OE1 2.97Å; R393-E397 IonicContact NE-OE2 2.77Å; R393-E397 PolarHBondContact NE-OE2 3.05Å; R393-E397 IonicContact NH1-OE1 2.67Å; R393-E397 IonicContact NH2-OE1 3.7Å; R393-E397 PolarHBondContact NH2-OE1 3.21Å; R393-E397 IonicContact NH2-OE2 2.68Å; R393-E397 PolarHBondContact NH2-OE2 3.21Å
394S89.1Confident92.3Very high60 Ų6081.8 Ų81.842%0.4245%0.449SS..PPolyproline II helixtrans-68.4132.1-179.6-1790000109.7S392 L396 E397S392-S394 PolarHBondContact O-N 3.11Å; S394-L396 PolarHBondContact O-N 3.4Å; S394-L396 PolarHBondContact OG-N 3.3Å; S394-L396 VanDerWaalsContact OG-N 3.07Å; S394-E397 WeakPolarHBondContact O-CB 3.4Å; S394-E397 VanDerWaalsContact O-CG 3.27Å; S394-E397 WeakPolarHBondContact O-CG 3.34Å; S394-E397 PolarHBondContact O-N 2.8Å
395I92.1Very high92Very high168 Ų16882.7 Ų82.786%0.86246%0.464SS*.THydrogen-bonded Turntrans-67.3-10.1169.464.5173.6000112.7R393R393-I395 PolarHBondContact O-N 3.17Å
396L91.8Very high91.6Very high136 Ų13687.2 Ų87.271%0.71250%0.497SS*.THydrogen-bonded Turntrans-106.612.3178-52.2179.4000112.1S394S394-L396 PolarHBondContact O-N 3.4Å; S394-L396 PolarHBondContact OG-N 3.3Å; S394-L396 VanDerWaalsContact OG-N 3.07Å
397E91.6Very high91.2Very high83 Ų8388.7 Ų88.739%0.38851%0.513SS..SBendtrans-63.4155.1168.474.4-172156.500110.4R393 S394R393-E397 WeakPolarHBondContact CD-OE1 3.29Å; R393-E397 VanDerWaalsContact CG-OE1 3.32Å; R393-E397 WeakPolarHBondContact CG-OE1 3.39Å; R393-E397 VanDerWaalsContact CG-OE2 3.26Å; R393-E397 WeakPolarHBondContact CG-OE2 3.24Å; R393-E397 IonicContact CZ-OE1 3.84Å; R393-E397 IonicContact CZ-OE2 3.29Å; R393-E397 VanDerWaalsContact CZ-OE2 3.26Å; R393-E397 IonicContact NE-OE1 3.86Å; R393-E397 PolarHBondContact NE-OE1 2.97Å; R393-E397 IonicContact NE-OE2 2.77Å; R393-E397 PolarHBondContact NE-OE2 3.05Å; R393-E397 IonicContact NH1-OE1 2.67Å; R393-E397 IonicContact NH2-OE1 3.7Å; R393-E397 PolarHBondContact NH2-OE1 3.21Å; R393-E397 IonicContact NH2-OE2 2.68Å; R393-E397 PolarHBondContact NH2-OE2 3.21Å; S394-E397 WeakPolarHBondContact O-CB 3.4Å; S394-E397 VanDerWaalsContact O-CG 3.27Å; S394-E397 WeakPolarHBondContact O-CG 3.34Å; S394-E397 PolarHBondContact O-N 2.8Å
398D92.4Very high91Very high156 Ų15688.5 Ų88.583%0.83452%0.518SS*.SBendtrans5057.1-178.7-161.135.6000113.6
399P93.2Very high90.9Very high93 Ų9398.1 Ų98.160%0.60455%0.553SS**PPolyproline II helixtrans-64.5152.1179.729.8-35.7000110.8S401P399-S401 PolarHBondContact O-N 2.83Å
400P93.2Very high90.9Very high120 Ų12099.9 Ų99.978%0.77956%0.564SS**PPolyproline II helixtrans-51.6138.7175.4-26.334000111.9I402P400-I402 PolarHBondContact O-N 2.68Å
401S93.9Very high91.2Very high52 Ų52103.7 Ų103.736%0.36459%0.585SS.*PPolyproline II helixtrans-60.9130.6-179.6-1790000111.1P399 S403 E404 G405P399-S401 PolarHBondContact O-N 2.83Å; S401-S403 PolarHBondContact O-N 3.14Å; S401-S403 PolarHBondContact OG-N 3.5Å; S401-S403 PolarHBondContact OG-OG 2.82Å; S401-E404 PolarHBondContact O-N 2.91Å; S401-E404 VanDerWaalsContact O-N 3.09Å; S401-G405 PolarHBondContact O-N 3.46Å
402I93.7Very high91.7Very high150 Ų150102.7 Ų102.777%0.76958%0.575SS**THydrogen-bonded Turntrans-56.7-35175.1-60.8-61.9000110.9P400 E404 G405 G408P400-I402 PolarHBondContact O-N 2.68Å; I402-E404 VanDerWaalsContact C-N 3.27Å; I402-E404 PolarHBondContact O-N 3.31Å; I402-G405 PolarHBondContact O-N 2.58Å; I402-G408 WeakPolarHBondContact O-CA 3.44Å
403S93.4Very high92.4Very high54 Ų54103.3 Ų103.338%0.37857%0.566SS.*THydrogen-bonded Turntrans-70.6-20.4-178.861.90000114.2S401 G408S401-S403 PolarHBondContact O-N 3.14Å; S401-S403 PolarHBondContact OG-N 3.5Å; S401-S403 PolarHBondContact OG-OG 2.82Å; S403-G408 WeakPolarHBondContact CA-O 3.31Å; S403-G408 CarbonylContact O-C 3.59Å; S403-G408 WeakPolarHBondContact O-CA 3.48Å
404E93Very high92.9Very high150 Ų15094.6 Ų94.670%0.70153%0.533SS*.THydrogen-bonded Turntrans-96-18.5179.2-63.417817100112.1S401 I402S401-E404 PolarHBondContact O-N 2.91Å; S401-E404 VanDerWaalsContact O-N 3.09Å; I402-E404 VanDerWaalsContact C-N 3.27Å; I402-E404 PolarHBondContact O-N 3.31Å
405G91.3Very high93.3Very high41 Ų4198 Ų9842%0.42355%0.545SS..SBendtrans-77.2-176.7177.600000114.7S401 I402 G407 G408S401-G405 PolarHBondContact O-N 3.46Å; I402-G405 PolarHBondContact O-N 2.58Å; G405-G407 PolarHBondContact O-N 3.08Å; G405-G408 PolarHBondContact O-N 3.03Å
406C90.6Very high93.6Very high122 Ų12295 Ų9582%0.82454%0.535SS*.THydrogen-bonded Turntrans-57.7121.7175.5-69.60000110.9G408C406-G408 PolarHBondContact O-N 3.4Å
407G90.4Very high93.7Very high33 Ų3390.9 Ų90.934%0.3451%0.513SS..THydrogen-bonded Turntrans77.44.1-178.600000114.5G405 R409 V410 Y413G405-G407 PolarHBondContact O-N 3.08Å; G407-R409 PolarHBondContact O-N 3.03Å; G407-V410 WeakPolarHBondContact O-CB 3.45Å; G407-V410 PolarHBondContact O-N 3.25Å; G407-V410 VanDerWaalsContact O-N 3.14Å; G407-Y413 WeakPolarHBondContact CA-OH 3.24Å; G407-Y413 WeakPolarHBondContact O-CE2 3.37Å; G407-Y413 PolarHBondContact O-OH 2.92Å
408G92.1Very high94Very high19 Ų1990.8 Ų90.820%0.19651%0.512CS..THydrogen-bonded Turntrans-67-17.7-179.400000115.3I402 S403 G405 C406I402-G408 WeakPolarHBondContact O-CA 3.44Å; S403-G408 WeakPolarHBondContact CA-O 3.31Å; S403-G408 CarbonylContact O-C 3.59Å; S403-G408 WeakPolarHBondContact O-CA 3.48Å; G405-G408 PolarHBondContact O-N 3.03Å; C406-G408 PolarHBondContact O-N 3.4Å
409R94.1Very high94.2Very high209 Ų20984.6 Ų84.679%0.78949%0.485SS*.THydrogen-bonded Turntrans-90.3-6.1176.1-59-60.3-175.2173.1-2.9113.8G407G407-R409 PolarHBondContact O-N 3.03Å
410V93.7Very high94.4Very high53 Ų5384.2 Ų84.232%0.32148%0.475SS..  trans-78.3125.5176.4174.10000108.4G407 Y413 I462G407-V410 WeakPolarHBondContact O-CB 3.45Å; G407-V410 PolarHBondContact O-N 3.25Å; G407-V410 VanDerWaalsContact O-N 3.14Å; V410-Y413 HydrophobicContact CB-CD2 4.23Å; V410-Y413 HydrophobicContact CB-CE1 4.47Å; V410-Y413 HydrophobicContact CB-CE2 3.5Å; V410-Y413 VanDerWaalsContact CB-CE2 3.5Å; V410-Y413 HydrophobicContact CG1-CD1 4.33Å; V410-Y413 HydrophobicContact CG1-CD2 3.9Å; V410-Y413 HydrophobicContact CG1-CE1 4.03Å; V410-Y413 HydrophobicContact CG1-CE2 3.59Å; V410-Y413 HydrophobicContact CG1-CG 4.26Å; V410-Y413 WeakPolarHBondContact O-CE2 3.32Å; V410-I462 HydrophobicContact CG1-CB 4.49Å; V410-I462 HydrophobicContact CG1-CG2 3.48Å; V410-I462 VanDerWaalsContact CG1-CG2 3.48Å
411T93.9Very high94.5Very high140 Ų14079.4 Ų79.486%0.85944%0.442SS*.  trans-105.1-10-170.555.40000114.1
412D94.6Very high94.7Very high39 Ų3982.5 Ų82.521%0.20945%0.452CS..  trans-120.836-16868.4-43.6000112.6I462 I463 S464D412-I462 CarbonylContact O-C 3.48Å; D412-I462 VanDerWaalsContact O-CA 3.28Å; D412-I462 WeakPolarHBondContact O-CA 3.47Å; D412-I463 HydrophobicContact CB-CB 4.26Å; D412-I463 HydrophobicContact CB-CD1 4.43Å; D412-I463 WeakPolarHBondContact O-CG1 3.23Å; D412-I463 PolarHBondContact O-N 3.37Å; D412-S464 WeakPolarHBondContact OD2-CB 3.29Å; D412-S464 PolarHBondContact OD2-N 2.87Å; D412-S464 PolarHBondContact OD2-OG 3.34Å
413Y96.8Very high94.8Very high93 Ų9381.8 Ų81.837%0.36544%0.44SS..BIsolated β-bridgetrans-59.5140.5172.5-74.5-72.8000112G407 V410 I415 I462G407-Y413 WeakPolarHBondContact CA-OH 3.24Å; G407-Y413 WeakPolarHBondContact O-CE2 3.37Å; G407-Y413 PolarHBondContact O-OH 2.92Å; V410-Y413 HydrophobicContact CB-CD2 4.23Å; V410-Y413 HydrophobicContact CB-CE1 4.47Å; V410-Y413 HydrophobicContact CB-CE2 3.5Å; V410-Y413 VanDerWaalsContact CB-CE2 3.5Å; V410-Y413 HydrophobicContact CG1-CD1 4.33Å; V410-Y413 HydrophobicContact CG1-CD2 3.9Å; V410-Y413 HydrophobicContact CG1-CE1 4.03Å; V410-Y413 HydrophobicContact CG1-CE2 3.59Å; V410-Y413 HydrophobicContact CG1-CG 4.26Å; V410-Y413 WeakPolarHBondContact O-CE2 3.32Å; Y413-I415 PolarHBondContact O-N 3.12Å; Y413-I462 HydrophobicContact CD1-CG2 3.86Å; Y413-I462 HydrophobicContact CE1-CG2 4.09Å; Y413-I462 HydrophobicContact CG-CG2 4.46Å
414R96.6Very high94.9Very high16 Ų1685.7 Ų85.76%0.0645%0.452CS..  trans-79.655.8175-68.3177.361.2-147.91.4112T416 D417 F418 W459 P460 M461 I463R414-T416 VanDerWaalsContact C-N 3.34Å; R414-T416 PolarHBondContact O-N 3.41Å; R414-D417 HydrophobicContact CB-CB 4.27Å; R414-D417 IonicContact CZ-OD2 2.9Å; R414-D417 IonicContact NE-OD2 3.75Å; R414-D417 PolarHBondContact NE-OD2 3.08Å; R414-D417 IonicContact NH2-OD2 3.8Å; R414-D417 PolarHBondContact NH2-OD2 3.37Å; R414-D417 PolarHBondContact O-N 2.85Å; R414-F418 WeakPolarHBondContact O-CB 3.49Å; R414-F418 PolarHBondContact O-N 3.04Å; R414-W459 HydrophobicContact CB-CH2 4.03Å; R414-W459 HydrophobicContact CB-CZ3 4.39Å; R414-P460 WeakPolarHBondContact CD-O 3.43Å; R414-P460 PolarHBondContact NH1-O 2.89Å; R414-M461 PolarHBondContact N-O 2.81Å; R414-I463 HydrophobicContact CG-CB 4.48Å; R414-I463 HydrophobicContact CG-CG1 3.66Å
415I97.1Very high95.1Very high130 Ų13079.8 Ų79.867%0.66743%0.425SS*.Hα-helixtrans-60.7-43.2-175.3-61176.5000111.1Y413 F418 G419Y413-I415 PolarHBondContact O-N 3.12Å; I415-F418 PolarHBondContact O-N 3.02Å; I415-G419 PolarHBondContact O-N 2.91Å
416T97.2Very high95.4Very high105 Ų10587 Ų8764%0.64444%0.439SS*.Hα-helixtrans-61.4-51179.7-54.20000111.5R414 F418 G419 E420R414-T416 VanDerWaalsContact C-N 3.34Å; R414-T416 PolarHBondContact O-N 3.41Å; T416-F418 VanDerWaalsContact C-N 3.33Å; T416-F418 PolarHBondContact O-N 2.95Å; T416-G419 WeakPolarHBondContact O-CA 3.41Å; T416-G419 PolarHBondContact O-N 3.39Å; T416-G419 VanDerWaalsContact O-N 3.09Å; T416-E420 PolarHBondContact O-N 3.4Å
417D95.3Very high95.6Very high50 Ų5087.2 Ų87.227%0.26743%0.432SS..Hα-helixtrans-65.6-37.4-179.1-532.7000111.4R414 G419 E420 F421 W459R414-D417 HydrophobicContact CB-CB 4.27Å; R414-D417 IonicContact CZ-OD2 2.9Å; R414-D417 IonicContact NE-OD2 3.75Å; R414-D417 PolarHBondContact NE-OD2 3.08Å; R414-D417 IonicContact NH2-OD2 3.8Å; R414-D417 PolarHBondContact NH2-OD2 3.37Å; R414-D417 PolarHBondContact O-N 2.85Å; D417-G419 VanDerWaalsContact C-N 3.31Å; D417-E420 WeakPolarHBondContact O-CB 3.44Å; D417-E420 PolarHBondContact O-N 3.38Å; D417-F421 PolarHBondContact O-N 3.4Å; D417-W459 HydrophobicContact CB-CH2 4.32Å; D417-W459 HydrophobicContact CB-CZ2 4.13Å
418F97.1Very high95.8Very high82 Ų8290 Ų9036%0.3644%0.443SS..Hα-helixtrans-68.9-33.1174.5-159.2-106000111.6R414 I415 T416 E420 F421 M422 W459R414-F418 WeakPolarHBondContact O-CB 3.49Å; R414-F418 PolarHBondContact O-N 3.04Å; I415-F418 PolarHBondContact O-N 3.02Å; T416-F418 VanDerWaalsContact C-N 3.33Å; T416-F418 PolarHBondContact O-N 2.95Å; F418-E420 VanDerWaalsContact C-N 3.3Å; F418-E420 PolarHBondContact O-N 2.67Å; F418-F421 HydrophobicContact CD2-CB 4.49Å; F418-F421 AromaticContact CD2-CD1 3.92Å; F418-F421 HydrophobicContact CD2-CD1 3.92Å; F418-F421 HydrophobicContact CD2-CG 4.39Å; F418-F421 AromaticContact CE2-CD1 3.59Å; F418-F421 HydrophobicContact CE2-CD1 3.59Å; F418-F421 AromaticContact CE2-CE1 3.8Å; F418-F421 HydrophobicContact CE2-CE1 3.8Å; F418-F421 HydrophobicContact CE2-CG 4.37Å; F418-F421 AromaticContact CZ-CD1 3.94Å; F418-F421 HydrophobicContact CZ-CD1 3.94Å; F418-F421 AromaticContact CZ-CE1 3.97Å; F418-F421 HydrophobicContact CZ-CE1 3.97Å; F418-F421 WeakPolarHBondContact O-CB 3.08Å; F418-F421 PolarHBondContact O-N 3.31Å; F418-M422 HydrophobicContact CD1-CG 4.17Å; F418-M422 HydrophobicContact CD1-SD 3.98Å; F418-M422 HydrophobicContact CE1-CG 4.1Å; F418-M422 HydrophobicContact CE1-SD 4.1Å; F418-M422 VanDerWaalsContact O-CG 3.3Å; F418-M422 WeakPolarHBondContact O-CG 3.46Å; F418-M422 PolarHBondContact O-N 3.23Å; F418-W459 HydrophobicContact CB-CH2 3.51Å; F418-W459 HydrophobicContact CB-CZ2 4Å; F418-W459 HydrophobicContact CB-CZ3 4.26Å; F418-W459 HydrophobicContact CD2-CD2 4.37Å; F418-W459 HydrophobicContact CD2-CE3 4.12Å; F418-W459 AromaticContact CD2-CH2 3.51Å; F418-W459 HydrophobicContact CD2-CH2 3.51Å; F418-W459 AromaticContact CD2-CZ2 3.7Å; F418-W459 HydrophobicContact CD2-CZ2 3.7Å; F418-W459 AromaticContact CD2-CZ3 3.68Å; F418-W459 HydrophobicContact CD2-CZ3 3.68Å; F418-W459 AromaticContact CG-CH2 3.98Å; F418-W459 HydrophobicContact CG-CH2 3.98Å; F418-W459 HydrophobicContact CG-CZ2 4.35Å; F418-W459 HydrophobicContact CG-CZ3 4.38Å
419G97.4Very high95.9Very high26 Ų2694.6 Ų94.627%0.26847%0.469SS..Hα-helixtrans-63.4-34.8171.100000112.8I415 T416 D417 R423I415-G419 PolarHBondContact O-N 2.91Å; T416-G419 WeakPolarHBondContact O-CA 3.41Å; T416-G419 PolarHBondContact O-N 3.39Å; T416-G419 VanDerWaalsContact O-N 3.09Å; D417-G419 VanDerWaalsContact C-N 3.31Å; G419-R423 WeakPolarHBondContact O-CG 3.41Å; G419-R423 PolarHBondContact O-N 2.9Å
420E96.3Very high95.8Very high85 Ų8588.8 Ų88.840%0.39745%0.45SS..Hα-helixtrans-66.9-49170.3-81.3-179.3174.400112.1T416 D417 F418 M422 R423 E424T416-E420 PolarHBondContact O-N 3.4Å; D417-E420 WeakPolarHBondContact O-CB 3.44Å; D417-E420 PolarHBondContact O-N 3.38Å; F418-E420 VanDerWaalsContact C-N 3.3Å; F418-E420 PolarHBondContact O-N 2.67Å; E420-M422 VanDerWaalsContact C-N 3.26Å; E420-M422 PolarHBondContact O-N 2.77Å; E420-R423 VanDerWaalsContact CG-CZ 3.49Å; E420-R423 WeakPolarHBondContact O-CA 3.49Å; E420-R423 WeakPolarHBondContact O-CB 3.34Å; E420-R423 PolarHBondContact O-N 3.35Å; E420-R423 IonicContact OE1-NH2 3.29Å; E420-R423 PolarHBondContact OE1-NH2 3.03Å; E420-E424 WeakPolarHBondContact O-CG 3.4Å; E420-E424 PolarHBondContact O-N 3.05Å
421F96.3Very high95.6Very high19 Ų1994.1 Ų94.18%0.08348%0.476CS..Hα-helixtrans-52-45.1173.4168.9-92.4000111.8D417 F418 R423 E424 N425 L452 H455 T456D417-F421 PolarHBondContact O-N 3.4Å; F418-F421 HydrophobicContact CD2-CB 4.49Å; F418-F421 AromaticContact CD2-CD1 3.92Å; F418-F421 HydrophobicContact CD2-CD1 3.92Å; F418-F421 HydrophobicContact CD2-CG 4.39Å; F418-F421 AromaticContact CE2-CD1 3.59Å; F418-F421 HydrophobicContact CE2-CD1 3.59Å; F418-F421 AromaticContact CE2-CE1 3.8Å; F418-F421 HydrophobicContact CE2-CE1 3.8Å; F418-F421 HydrophobicContact CE2-CG 4.37Å; F418-F421 AromaticContact CZ-CD1 3.94Å; F418-F421 HydrophobicContact CZ-CD1 3.94Å; F418-F421 AromaticContact CZ-CE1 3.97Å; F418-F421 HydrophobicContact CZ-CE1 3.97Å; F418-F421 WeakPolarHBondContact O-CB 3.08Å; F418-F421 PolarHBondContact O-N 3.31Å; F421-R423 PolarHBondContact O-N 2.9Å; F421-E424 PolarHBondContact O-N 2.93Å; F421-N425 WeakPolarHBondContact O-CB 3.45Å; F421-N425 PolarHBondContact O-N 3Å; F421-N425 VanDerWaalsContact O-N 3.12Å; F421-N425 PolarHBondContact O-ND2 2.93Å; F421-L452 HydrophobicContact CE1-CD2 3.96Å; F421-L452 HydrophobicContact CE2-CD2 4.32Å; F421-L452 HydrophobicContact CZ-CD2 3.46Å; F421-L452 VanDerWaalsContact CZ-CD2 3.46Å; F421-H455 HydrophobicContact CD2-CB 4.34Å; F421-H455 HydrophobicContact CE2-CB 3.65Å; F421-T456 HydrophobicContact CE1-CG2 4.48Å; F421-T456 HydrophobicContact CE2-CG2 3.81Å; F421-T456 HydrophobicContact CZ-CG2 3.56Å
422M97.1Very high95.5Very high116 Ų11693.8 Ų93.857%0.57147%0.468SS*.Hα-helixtrans-62.1-40.1175.9-71.9171.964.700112.5F418 E420 N425 R426F418-M422 HydrophobicContact CD1-CG 4.17Å; F418-M422 HydrophobicContact CD1-SD 3.98Å; F418-M422 HydrophobicContact CE1-CG 4.1Å; F418-M422 HydrophobicContact CE1-SD 4.1Å; F418-M422 VanDerWaalsContact O-CG 3.3Å; F418-M422 WeakPolarHBondContact O-CG 3.46Å; F418-M422 PolarHBondContact O-N 3.23Å; E420-M422 VanDerWaalsContact C-N 3.26Å; E420-M422 PolarHBondContact O-N 2.77Å; M422-N425 PolarHBondContact O-N 3.17Å; M422-R426 PolarHBondContact O-N 2.96Å
423R96.9Very high95.1Very high135 Ų13595.9 Ų95.951%0.50948%0.484SS..Hα-helixtrans-66.5-38.7178.8-78.6-174-80.5125-19.8112.7G419 E420 F421 N425 R426G419-R423 WeakPolarHBondContact O-CG 3.41Å; G419-R423 PolarHBondContact O-N 2.9Å; E420-R423 VanDerWaalsContact CG-CZ 3.49Å; E420-R423 WeakPolarHBondContact O-CA 3.49Å; E420-R423 WeakPolarHBondContact O-CB 3.34Å; E420-R423 PolarHBondContact O-N 3.35Å; E420-R423 IonicContact OE1-NH2 3.29Å; E420-R423 PolarHBondContact OE1-NH2 3.03Å; F421-R423 PolarHBondContact O-N 2.9Å; R423-N425 VanDerWaalsContact C-N 3.31Å; R423-R426 PolarHBondContact O-NE 3.41Å
424E95.6Very high94.7Very high136 Ų13697.3 Ų97.364%0.63649%0.489SS*.Hα-helixtrans-71.8-25.6178.4-69.6176.6173.900112.8E420 F421E420-E424 WeakPolarHBondContact O-CG 3.4Å; E420-E424 PolarHBondContact O-N 3.05Å; F421-E424 PolarHBondContact O-N 2.93Å
425N95.9Very high94.1Very high26 Ų26103.7 Ų103.714%0.13951%0.514CS..THydrogen-bonded Turntrans-106.125.5-178.4-67.5-84.7000113.2F421 M422 R423 Q451 L452F421-N425 WeakPolarHBondContact O-CB 3.45Å; F421-N425 PolarHBondContact O-N 3Å; F421-N425 VanDerWaalsContact O-N 3.12Å; F421-N425 PolarHBondContact O-ND2 2.93Å; M422-N425 PolarHBondContact O-N 3.17Å; R423-N425 VanDerWaalsContact C-N 3.31Å; N425-Q451 PolarHBondContact OD1-NE2 3.47Å; N425-L452 HydrophobicContact CB-CD2 3.74Å
426R97.4Very high93.4Very high192 Ų192102.4 Ų102.473%0.72550%0.504SS*.  trans-65.1138.1173.2-77-178.5-69.7171.21.9110.8M422 R423M422-R426 PolarHBondContact O-N 2.96Å; R423-R426 PolarHBondContact O-NE 3.41Å
427L96.2Very high92.5Very high128 Ų128106.2 Ų106.267%0.6752%0.518SS*.  trans-72.2147.8174.9-60.3178.5000110.7L445 A448L427-L445 HydrophobicContact CD1-CD1 4.5Å; L427-A448 HydrophobicContact CD2-CB 3.74Å
428T95.1Very high91.9Very high91 Ų91109.7 Ų109.756%0.55854%0.537SS*.  trans-135.7139.8173-171.70000109.4F430T428-F430 HydrophobicContact CG2-CD2 4.22Å; T428-F430 HydrophobicContact CG2-CE2 3.45Å; T428-F430 VanDerWaalsContact CG2-CE2 3.45Å; T428-F430 HydrophobicContact CG2-CZ 3.71Å; T428-F430 VanDerWaalsContact O-CD2 3.23Å; T428-F430 WeakPolarHBondContact O-CD2 3.49Å; T428-F430 WeakPolarHBondContact O-CE2 3.46Å
429P93.6Very high91.1Very high116 Ų116108.3 Ų108.375%0.75355%0.545SS*.  trans-65.1138.2176.1-20.332.9000111.9
430F91.9Very high90.6Very high87 Ų87109.3 Ų109.338%0.38255%0.548SS..  trans-117.1120170.8-70.3-94.4000108.4T428 R434 P444T428-F430 HydrophobicContact CG2-CD2 4.22Å; T428-F430 HydrophobicContact CG2-CE2 3.45Å; T428-F430 VanDerWaalsContact CG2-CE2 3.45Å; T428-F430 HydrophobicContact CG2-CZ 3.71Å; T428-F430 VanDerWaalsContact O-CD2 3.23Å; T428-F430 WeakPolarHBondContact O-CD2 3.49Å; T428-F430 WeakPolarHBondContact O-CE2 3.46Å; F430-R434 VanDerWaalsContact CE1-NH2 3.34Å; F430-P444 HydrophobicContact CB-CB 4.29Å; F430-P444 HydrophobicContact CB-CG 3.85Å; F430-P444 HydrophobicContact CD2-CB 3.64Å; F430-P444 HydrophobicContact CD2-CG 4.14Å; F430-P444 HydrophobicContact CE2-CB 4.24Å; F430-P444 HydrophobicContact CG-CB 4.12Å; F430-P444 HydrophobicContact CG-CG 4.11Å
431L90.3Very high90.3Very high165 Ų165109.8 Ų109.886%0.86455%0.553SS**  trans-85.4-43.1-177.5-59.7177.9000111.6
432D90.4Very high90Very high132 Ų132110.5 Ų110.571%0.70656%0.557SS**SBendtrans-90.4135.4-176.6-59.6-47.8000111.8R434D432-R434 PolarHBondContact O-N 2.94Å
433P87.6Confident89.8Confident83 Ų83108.5 Ų108.554%0.53955%0.551SS.*  trans-64.4136.1175.227-32.9000110.2Y435 L441P433-Y435 HydrophobicContact CB-CE2 4.37Å; P433-L441 HydrophobicContact CB-CD1 3.51Å
434R87.1Confident89.6Confident124 Ų124104.7 Ų104.747%0.46854%0.543SS..EExtended strand (participates in β ladder)trans-106.6146.6171.3-65.7-176.3-172.4-165.2-3.1109.4F430 D432 E442F430-R434 VanDerWaalsContact CE1-NH2 3.34Å; D432-R434 PolarHBondContact O-N 2.94Å; R434-E442 HydrophobicContact CB-CB 4.29Å; R434-E442 WeakPolarHBondContact O-CB 3.5Å; R434-E442 PolarHBondContact O-N 2.84Å
435Y84.7Confident89.6Confident150 Ų150103.4 Ų103.459%0.58854%0.54SS*.EExtended strand (participates in β ladder)trans-114.3140.9177.6-67.9-87.2000109.9P433 G439 S440 L441P433-Y435 HydrophobicContact CB-CE2 4.37Å; Y435-G439 WeakPolarHBondContact CD1-O 3.35Å; Y435-S440 CarbonylContact C-O 3.56Å; Y435-S440 WeakPolarHBondContact CA-O 3.47Å; Y435-L441 HydrophobicContact CD1-CD1 4.47Å; Y435-L441 HydrophobicContact CE1-CB 4.27Å; Y435-L441 HydrophobicContact CE1-CD1 4.05Å
436K81.1Confident89.4Confident103 Ų103106.3 Ų106.345%0.44855%0.553SS.*  trans-71.5168.5170.2-64.9-172.6-176.6178.20110.1D438 G439 S440 E442K436-D438 VanDerWaalsContact CB-OD1 3.3Å; K436-D438 WeakPolarHBondContact CB-OD1 3.44Å; K436-D438 PolarHBondContact O-N 2.8Å; K436-G439 PolarHBondContact O-N 2.79Å; K436-S440 PolarHBondContact N-O 3.22Å; K436-E442 HydrophobicContact CG-CB 3.92Å; K436-E442 HydrophobicContact CG-CG 4.14Å
437I79.2Confident89.1Confident185 Ų185102 Ų10295%0.94954%0.537SS*.THydrogen-bonded Turntrans-59.6-29.5179.6-59.4174.5000111.7G439I437-G439 PolarHBondContact O-N 3.33Å
438D82Confident89.1Confident123 Ų12397.1 Ų97.166%0.65852%0.515SS*.THydrogen-bonded Turntrans-80.42177.364.29.8000114.1K436 S440K436-D438 VanDerWaalsContact CB-OD1 3.3Å; K436-D438 WeakPolarHBondContact CB-OD1 3.44Å; K436-D438 PolarHBondContact O-N 2.8Å; D438-S440 VanDerWaalsContact C-N 3.31Å; D438-S440 PolarHBondContact O-N 3.43Å; D438-S440 VanDerWaalsContact OD1-CB 3.26Å; D438-S440 WeakPolarHBondContact OD1-CB 3.37Å; D438-S440 PolarHBondContact OD1-N 2.77Å; D438-S440 PolarHBondContact OD1-OG 3.14Å; D438-S440 PolarHBondContact OD2-OG 3.28Å
439G80.6Confident89.1Confident52 Ų5298 Ų9854%0.53651%0.511SS..SBendtrans82-0.1-178.500000114.8Y435 K436 I437Y435-G439 WeakPolarHBondContact CD1-O 3.35Å; K436-G439 PolarHBondContact O-N 2.79Å; I437-G439 PolarHBondContact O-N 3.33Å
440S87.8Confident89Confident47 Ų4796.2 Ų96.233%0.32950%0.495SS..  trans-76.5150174.568.10000112.1Y435 K436 D438 E442Y435-S440 CarbonylContact C-O 3.56Å; Y435-S440 WeakPolarHBondContact CA-O 3.47Å; K436-S440 PolarHBondContact N-O 3.22Å; D438-S440 VanDerWaalsContact C-N 3.31Å; D438-S440 PolarHBondContact O-N 3.43Å; D438-S440 VanDerWaalsContact OD1-CB 3.26Å; D438-S440 WeakPolarHBondContact OD1-CB 3.37Å; D438-S440 PolarHBondContact OD1-N 2.77Å; D438-S440 PolarHBondContact OD1-OG 3.14Å; D438-S440 PolarHBondContact OD2-OG 3.28Å; S440-E442 PolarHBondContact O-N 3.15Å
441L89.3Confident89.1Confident96 Ų9695.3 Ų95.350%0.50349%0.492SS..EExtended strand (participates in β ladder)trans-68.2125.7177.1-176.370.5000110.4P433 Y435P433-L441 HydrophobicContact CB-CD1 3.51Å; Y435-L441 HydrophobicContact CD1-CD1 4.47Å; Y435-L441 HydrophobicContact CE1-CB 4.27Å; Y435-L441 HydrophobicContact CE1-CD1 4.05Å
442E90.1Very high89.4Confident34 Ų3490 Ų9016%0.15946%0.464CS..EExtended strand (participates in β ladder)trans-86112174.2-165.2-174.6-165.900109.6R434 K436 S440 P444 R447R434-E442 HydrophobicContact CB-CB 4.29Å; R434-E442 WeakPolarHBondContact O-CB 3.5Å; R434-E442 PolarHBondContact O-N 2.84Å; K436-E442 HydrophobicContact CG-CB 3.92Å; K436-E442 HydrophobicContact CG-CG 4.14Å; S440-E442 PolarHBondContact O-N 3.15Å; E442-P444 WeakPolarHBondContact O-CD 3.44Å; E442-R447 WeakPolarHBondContact OE1-CD 3.36Å; E442-R447 IonicContact OE1-CZ 2.71Å; E442-R447 IonicContact OE1-NE 2.71Å; E442-R447 IonicContact OE1-NH1 3.46Å; E442-R447 PolarHBondContact OE1-NH1 3.43Å; E442-R447 IonicContact OE2-NH1 3.83Å; E442-R447 PolarHBondContact OE2-NH1 2.78Å
443V93Very high89.6Confident74 Ų7486.2 Ų86.245%0.44844%0.442SS..  trans-80.5116.9176.3-179.10000109.4L445 E446 R447V443-L445 VanDerWaalsContact C-N 3.26Å; V443-L445 HydrophobicContact CG1-CB 4.43Å; V443-L445 PolarHBondContact O-N 3.39Å; V443-E446 HydrophobicContact CB-CB 4.32Å; V443-E446 HydrophobicContact CB-CG 4.23Å; V443-E446 HydrophobicContact CG1-CG 4.26Å; V443-E446 PolarHBondContact O-N 2.88Å; V443-E446 VanDerWaalsContact O-N 3.14Å; V443-R447 PolarHBondContact O-N 2.81Å; V443-R447 VanDerWaalsContact O-N 3.12Å
444P93.1Very high89.9Confident54 Ų5483.8 Ų83.835%0.35142%0.423SS..Hα-helixtrans-59.1-34.3-174.3-26.534.9000114.2F430 E442 R447 A448F430-P444 HydrophobicContact CB-CB 4.29Å; F430-P444 HydrophobicContact CB-CG 3.85Å; F430-P444 HydrophobicContact CD2-CB 3.64Å; F430-P444 HydrophobicContact CD2-CG 4.14Å; F430-P444 HydrophobicContact CE2-CB 4.24Å; F430-P444 HydrophobicContact CG-CB 4.12Å; F430-P444 HydrophobicContact CG-CG 4.11Å; E442-P444 WeakPolarHBondContact O-CD 3.44Å; P444-R447 WeakPolarHBondContact O-CB 3.42Å; P444-R447 PolarHBondContact O-N 3.17Å; P444-A448 PolarHBondContact O-N 2.78Å
445L94.3Very high90.3Very high110 Ų11079.7 Ų79.758%0.57641%0.409SS*.Hα-helixtrans-68.9-40.1179.3-174.462.1000112.3L427 V443 R447 A448 K449L427-L445 HydrophobicContact CD1-CD1 4.5Å; V443-L445 VanDerWaalsContact C-N 3.26Å; V443-L445 HydrophobicContact CG1-CB 4.43Å; V443-L445 PolarHBondContact O-N 3.39Å; L445-R447 VanDerWaalsContact C-N 3.33Å; L445-A448 PolarHBondContact O-N 3.2Å; L445-K449 PolarHBondContact O-N 3.36Å
446E92.8Very high90.8Very high86 Ų8672.9 Ų72.940%0.40238%0.383SS..Hα-helixtrans-66.7-38.4175.1-67.9-54.7131.500110.6V443 A448 K449 D450V443-E446 HydrophobicContact CB-CB 4.32Å; V443-E446 HydrophobicContact CB-CG 4.23Å; V443-E446 HydrophobicContact CG1-CG 4.26Å; V443-E446 PolarHBondContact O-N 2.88Å; V443-E446 VanDerWaalsContact O-N 3.14Å; E446-A448 VanDerWaalsContact C-N 3.34Å; E446-A448 PolarHBondContact O-N 3.32Å; E446-K449 WeakPolarHBondContact O-CB 3.27Å; E446-K449 PolarHBondContact O-N 2.78Å; E446-K449 IonicContact OE2-NZ 3.33Å; E446-K449 PolarHBondContact OE2-NZ 3.11Å; E446-D450 WeakPolarHBondContact O-CB 3.37Å; E446-D450 VanDerWaalsContact O-CG 3.26Å; E446-D450 PolarHBondContact O-N 3.09Å
447R91.9Very high91.5Very high101 Ų10170.3 Ų70.338%0.38137%0.371SS..Hα-helixtrans-59.6-43172.4-176.4-165.1170.9116.3-1112.3E442 V443 P444 L445 K449 D450 Q451E442-R447 WeakPolarHBondContact OE1-CD 3.36Å; E442-R447 IonicContact OE1-CZ 2.71Å; E442-R447 IonicContact OE1-NE 2.71Å; E442-R447 IonicContact OE1-NH1 3.46Å; E442-R447 PolarHBondContact OE1-NH1 3.43Å; E442-R447 IonicContact OE2-NH1 3.83Å; E442-R447 PolarHBondContact OE2-NH1 2.78Å; V443-R447 PolarHBondContact O-N 2.81Å; V443-R447 VanDerWaalsContact O-N 3.12Å; P444-R447 WeakPolarHBondContact O-CB 3.42Å; P444-R447 PolarHBondContact O-N 3.17Å; L445-R447 VanDerWaalsContact C-N 3.33Å; R447-K449 VanDerWaalsContact C-N 3.33Å; R447-D450 PolarHBondContact O-N 2.67Å; R447-Q451 PolarHBondContact O-N 3.16Å
448A94.6Very high92.3Very high27 Ų2763.9 Ų63.922%0.22334%0.335CS..Hα-helixtrans-63-40.9176.600000111.7L427 P444 L445 E446 Q451 L452L427-A448 HydrophobicContact CD2-CB 3.74Å; P444-A448 PolarHBondContact O-N 2.78Å; L445-A448 PolarHBondContact O-N 3.2Å; E446-A448 VanDerWaalsContact C-N 3.34Å; E446-A448 PolarHBondContact O-N 3.32Å; A448-Q451 WeakPolarHBondContact O-CB 3.36Å; A448-Q451 PolarHBondContact O-N 3.04Å; A448-L452 WeakPolarHBondContact O-CG 3.32Å; A448-L452 PolarHBondContact O-N 3.5Å; A448-L452 VanDerWaalsContact O-N 3.08Å
449K94.9Very high93Very high110 Ų11059.6 Ų59.648%0.47831%0.31SS..Hα-helixtrans-64.1-42174.1-179.4-176.7165.9-161.50112.2L445 E446 R447 Q451 L452 E453 L654L445-K449 PolarHBondContact O-N 3.36Å; E446-K449 WeakPolarHBondContact O-CB 3.27Å; E446-K449 PolarHBondContact O-N 2.78Å; E446-K449 IonicContact OE2-NZ 3.33Å; E446-K449 PolarHBondContact OE2-NZ 3.11Å; R447-K449 VanDerWaalsContact C-N 3.33Å; K449-Q451 VanDerWaalsContact C-N 3.25Å; K449-Q451 PolarHBondContact O-N 3.48Å; K449-L452 PolarHBondContact O-N 2.79Å; K449-E453 PolarHBondContact O-N 3.17Å; K449-L654 HydrophobicContact CG-CD2 4.35Å
450D92.4Very high93.7Very high77 Ų7757.6 Ų57.641%0.41229%0.288SS..Hα-helixtrans-65.7-28.4174.9-71.9-16.3000112.3E446 R447 K454E446-D450 WeakPolarHBondContact O-CB 3.37Å; E446-D450 VanDerWaalsContact O-CG 3.26Å; E446-D450 PolarHBondContact O-N 3.09Å; R447-D450 PolarHBondContact O-N 2.67Å; D450-K454 WeakPolarHBondContact O-CG 3.46Å; D450-K454 PolarHBondContact O-N 2.87Å; D450-K454 PolarHBondContact O-NZ 3.25Å
451Q94Very high94Very high69 Ų6960.2 Ų60.232%0.32230%0.296SS..Hα-helixtrans-69.4-46.7172.6-175.7174.3-6200110.8N425 R447 A448 K449 E453 K454 H455N425-Q451 PolarHBondContact OD1-NE2 3.47Å; R447-Q451 PolarHBondContact O-N 3.16Å; A448-Q451 WeakPolarHBondContact O-CB 3.36Å; A448-Q451 PolarHBondContact O-N 3.04Å; K449-Q451 VanDerWaalsContact C-N 3.25Å; K449-Q451 PolarHBondContact O-N 3.48Å; Q451-E453 VanDerWaalsContact C-N 3.29Å; Q451-E453 PolarHBondContact O-N 3.05Å; Q451-K454 PolarHBondContact O-N 2.77Å; Q451-H455 VanDerWaalsContact CG-CE1 3.47Å; Q451-H455 WeakPolarHBondContact CG-CE1 3.23Å; Q451-H455 PolarHBondContact O-N 3.32Å; Q451-H455 PolarHBondContact O-ND1 3.49Å
452L96Very high94.3Very high53 Ų5356.7 Ų56.728%0.27728%0.277SS..Hα-helixtrans-59.9-39.4175.9-67.9173.9000111.8F421 N425 A448 K449 T456 L654F421-L452 HydrophobicContact CE1-CD2 3.96Å; F421-L452 HydrophobicContact CE2-CD2 4.32Å; F421-L452 HydrophobicContact CZ-CD2 3.46Å; F421-L452 VanDerWaalsContact CZ-CD2 3.46Å; N425-L452 HydrophobicContact CB-CD2 3.74Å; A448-L452 WeakPolarHBondContact O-CG 3.32Å; A448-L452 PolarHBondContact O-N 3.5Å; A448-L452 VanDerWaalsContact O-N 3.08Å; K449-L452 PolarHBondContact O-N 2.79Å; L452-T456 WeakPolarHBondContact O-CB 3.35Å; L452-T456 VanDerWaalsContact O-CG2 3.3Å; L452-T456 WeakPolarHBondContact O-CG2 3.45Å; L452-T456 PolarHBondContact O-N 2.79Å; L452-T456 VanDerWaalsContact O-N 3.11Å; L452-T456 PolarHBondContact O-OG1 2.76Å; L452-L654 HydrophobicContact CB-CD2 3.94Å
453E95Very high94.5Very high52 Ų5258.8 Ų58.824%0.24329%0.289CS..Hα-helixtrans-56.3-53.9174-173.2-77.2144.800110.9K449 Q451 H455 T456 R457 S652 L654K449-E453 PolarHBondContact O-N 3.17Å; Q451-E453 VanDerWaalsContact C-N 3.29Å; Q451-E453 PolarHBondContact O-N 3.05Å; E453-H455 PolarHBondContact O-N 2.9Å; E453-T456 PolarHBondContact O-N 2.84Å; E453-T456 PolarHBondContact O-OG1 3.48Å; E453-R457 WeakPolarHBondContact O-CG 3.37Å; E453-R457 PolarHBondContact O-N 2.93Å; E453-R457 IonicContact OE1-CZ 3.73Å; E453-R457 IonicContact OE1-NE 2.91Å; E453-R457 PolarHBondContact OE1-NE 2.82Å; E453-R457 IonicContact OE1-NH2 3.65Å; E453-R457 IonicContact OE2-CZ 3.36Å; E453-R457 IonicContact OE2-NE 3.13Å; E453-R457 PolarHBondContact OE2-NE 3.16Å; E453-R457 VanDerWaalsContact OE2-NE 3.13Å; E453-R457 IonicContact OE2-NH2 2.76Å; E453-R457 PolarHBondContact OE2-NH2 3.09Å; E453-S652 WeakPolarHBondContact O-CB 3.5Å; E453-L654 HydrophobicContact CB-CD2 4.34Å
454K93.5Very high94.5Very high32 Ų3257.1 Ų57.114%0.13928%0.28CS..Hα-helixtrans-58.7-51.9179.7-67.6174.7-165.4820111.1D450 Q451 T456 R457 H543D450-K454 WeakPolarHBondContact O-CG 3.46Å; D450-K454 PolarHBondContact O-N 2.87Å; D450-K454 PolarHBondContact O-NZ 3.25Å; Q451-K454 PolarHBondContact O-N 2.77Å; K454-T456 PolarHBondContact O-N 3.49Å; K454-R457 PolarHBondContact O-N 2.77Å; K454-H543 PolarHBondContact O-CE1 3.14Å
455H95.2Very high94.5Very high38 Ų3860.3 Ų60.318%0.17629%0.29CS..Hα-helixtrans-67.9-13.1-174.5-70.857000113.1F421 Q451 E453F421-H455 HydrophobicContact CD2-CB 4.34Å; F421-H455 HydrophobicContact CE2-CB 3.65Å; Q451-H455 VanDerWaalsContact CG-CE1 3.47Å; Q451-H455 WeakPolarHBondContact CG-CE1 3.23Å; Q451-H455 PolarHBondContact O-N 3.32Å; Q451-H455 PolarHBondContact O-ND1 3.49Å; E453-H455 PolarHBondContact O-N 2.9Å
456T96.3Very high94.5Very high7 Ų755.1 Ų55.14%0.04326%0.264CS..THydrogen-bonded Turntrans-1129.5179.963.50000114.5F421 L452 E453 K454 Y458 S652 L653 L654F421-T456 HydrophobicContact CE1-CG2 4.48Å; F421-T456 HydrophobicContact CE2-CG2 3.81Å; F421-T456 HydrophobicContact CZ-CG2 3.56Å; L452-T456 WeakPolarHBondContact O-CB 3.35Å; L452-T456 VanDerWaalsContact O-CG2 3.3Å; L452-T456 WeakPolarHBondContact O-CG2 3.45Å; L452-T456 PolarHBondContact O-N 2.79Å; L452-T456 VanDerWaalsContact O-N 3.11Å; L452-T456 PolarHBondContact O-OG1 2.76Å; E453-T456 PolarHBondContact O-N 2.84Å; E453-T456 PolarHBondContact O-OG1 3.48Å; K454-T456 PolarHBondContact O-N 3.49Å; T456-Y458 VanDerWaalsContact C-N 3.33Å; T456-Y458 PolarHBondContact O-N 2.85Å; T456-S652 CarbonylContact O-C 3.52Å; T456-S652 VanDerWaalsContact O-CA 3.29Å; T456-S652 WeakPolarHBondContact O-CA 3.42Å; T456-L653 HydrophobicContact CG2-CB 4.46Å; T456-L653 PolarHBondContact O-N 2.84Å; T456-L654 PolarHBondContact OG1-N 3.06Å
457R95Very high94.6Very high50 Ų5051.4 Ų51.419%0.18925%0.247CC..SBendtrans-61.5-38.9174.6-68.6-175.2-176.4161.96.1113E453 K454 A542 N546E453-R457 WeakPolarHBondContact O-CG 3.37Å; E453-R457 PolarHBondContact O-N 2.93Å; E453-R457 IonicContact OE1-CZ 3.73Å; E453-R457 IonicContact OE1-NE 2.91Å; E453-R457 PolarHBondContact OE1-NE 2.82Å; E453-R457 IonicContact OE1-NH2 3.65Å; E453-R457 IonicContact OE2-CZ 3.36Å; E453-R457 IonicContact OE2-NE 3.13Å; E453-R457 PolarHBondContact OE2-NE 3.16Å; E453-R457 VanDerWaalsContact OE2-NE 3.13Å; E453-R457 IonicContact OE2-NH2 2.76Å; E453-R457 PolarHBondContact OE2-NH2 3.09Å; K454-R457 PolarHBondContact O-N 2.77Å; R457-A542 HydrophobicContact CB-CB 3.99Å; R457-A542 VanDerWaalsContact CD-O 3.26Å; R457-A542 WeakPolarHBondContact CD-O 3.36Å; R457-A542 PolarHBondContact NH1-O 2.86Å; R457-N546 PolarHBondContact NH1-OD1 3.32Å; R457-N546 VanDerWaalsContact NH1-OD1 3.12Å
458Y95.9Very high94.8Very high50 Ų5046.6 Ų46.620%0.19623%0.229CC..SBendtrans-134.592.6171.8-172.5-102.8000110T456 P460 I468 F469 E535 T538 L539T456-Y458 VanDerWaalsContact C-N 3.33Å; T456-Y458 PolarHBondContact O-N 2.85Å; Y458-P460 HydrophobicContact CE1-CG 3.81Å; Y458-P460 HydrophobicContact CE2-CG 4.29Å; Y458-I468 HydrophobicContact CE1-CD1 4.06Å; Y458-F469 AromaticContact CD1-CE2 3.57Å; Y458-F469 HydrophobicContact CD1-CE2 3.57Å; Y458-F469 HydrophobicContact CD1-CZ 4.16Å; Y458-F469 HydrophobicContact CE1-CD2 4.25Å; Y458-F469 AromaticContact CE1-CE2 3.61Å; Y458-F469 HydrophobicContact CE1-CE2 3.61Å; Y458-E535 HydrophobicContact CE1-CG 3.9Å; Y458-E535 VanDerWaalsContact OH-CD 3.23Å; Y458-E535 WeakPolarHBondContact OH-CG 3.5Å; Y458-E535 PolarHBondContact OH-OE1 3.27Å; Y458-T538 HydrophobicContact CD2-CG2 3.85Å; Y458-T538 HydrophobicContact CE2-CG2 3.98Å; Y458-L539 HydrophobicContact CD1-CB 3.95Å; Y458-L539 HydrophobicContact CD1-CD1 4.17Å; Y458-L539 HydrophobicContact CG-CB 4.49Å
459W96.5Very high94.8Very high32 Ų3247.6 Ų47.612%0.12123%0.228CC..  trans-138.285.7-177.6-151.8100.8000110.6R414 D417 F418 M461 L653R414-W459 HydrophobicContact CB-CH2 4.03Å; R414-W459 HydrophobicContact CB-CZ3 4.39Å; D417-W459 HydrophobicContact CB-CH2 4.32Å; D417-W459 HydrophobicContact CB-CZ2 4.13Å; F418-W459 HydrophobicContact CB-CH2 3.51Å; F418-W459 HydrophobicContact CB-CZ2 4Å; F418-W459 HydrophobicContact CB-CZ3 4.26Å; F418-W459 HydrophobicContact CD2-CD2 4.37Å; F418-W459 HydrophobicContact CD2-CE3 4.12Å; F418-W459 AromaticContact CD2-CH2 3.51Å; F418-W459 HydrophobicContact CD2-CH2 3.51Å; F418-W459 AromaticContact CD2-CZ2 3.7Å; F418-W459 HydrophobicContact CD2-CZ2 3.7Å; F418-W459 AromaticContact CD2-CZ3 3.68Å; F418-W459 HydrophobicContact CD2-CZ3 3.68Å; F418-W459 AromaticContact CG-CH2 3.98Å; F418-W459 HydrophobicContact CG-CH2 3.98Å; F418-W459 HydrophobicContact CG-CZ2 4.35Å; F418-W459 HydrophobicContact CG-CZ3 4.38Å; W459-M461 HydrophobicContact CE3-CG 4.49Å; W459-M461 PolarHBondContact O-N 3.3Å; W459-L653 HydrophobicContact CB-CD1 3.76Å; W459-L653 HydrophobicContact CB-CG 4.29Å; W459-L653 HydrophobicContact CD2-CD1 4.42Å; W459-L653 HydrophobicContact CE3-CD1 4.06Å; W459-L653 HydrophobicContact CG-CD1 4.33Å; W459-L653 WeakPolarHBondContact O-CD1 3.44Å
460P95.3Very high94.9Very high11 Ų1145 Ų457%0.07122%0.219CC..  trans-61.8129177.8-25.937.7000111.1R414 Y458 Q465 T466 F469R414-P460 WeakPolarHBondContact CD-O 3.43Å; R414-P460 PolarHBondContact NH1-O 2.89Å; Y458-P460 HydrophobicContact CE1-CG 3.81Å; Y458-P460 HydrophobicContact CE2-CG 4.29Å; P460-Q465 HydrophobicContact CB-CB 4.05Å; P460-T466 HydrophobicContact CB-CG2 4.27Å; P460-F469 HydrophobicContact CG-CD2 4.23Å; P460-F469 HydrophobicContact CG-CE2 4.34Å
461M94.5Very high95Very high101 Ų10141.8 Ų41.850%0.49820%0.202SC..SBendtrans-81-19.8-172.9-66.6-171.5-64.500114.3R414 W459 L653R414-M461 PolarHBondContact N-O 2.81Å; W459-M461 HydrophobicContact CE3-CG 4.49Å; W459-M461 PolarHBondContact O-N 3.3Å; M461-L653 HydrophobicContact CG-CD1 4.13Å; M461-L653 HydrophobicContact CG-CD2 4.46Å
462I95.2Very high95Very high23 Ų2346 Ų4612%0.11822%0.221CC..BIsolated β-bridgetrans-124.1148.9-178.267.8179.3000110.8V410 D412 Y413 S464 Q465V410-I462 HydrophobicContact CG1-CB 4.49Å; V410-I462 HydrophobicContact CG1-CG2 3.48Å; V410-I462 VanDerWaalsContact CG1-CG2 3.48Å; D412-I462 CarbonylContact O-C 3.48Å; D412-I462 VanDerWaalsContact O-CA 3.28Å; D412-I462 WeakPolarHBondContact O-CA 3.47Å; Y413-I462 HydrophobicContact CD1-CG2 3.86Å; Y413-I462 HydrophobicContact CE1-CG2 4.09Å; Y413-I462 HydrophobicContact CG-CG2 4.46Å; I462-S464 VanDerWaalsContact CD1-OG 3.29Å; I462-S464 WeakPolarHBondContact CD1-OG 3.41Å; I462-S464 PolarHBondContact O-N 3.49Å; I462-Q465 HydrophobicContact CD1-CB 4.49Å; I462-Q465 HydrophobicContact CD1-CG 3.7Å; I462-Q465 HydrophobicContact CG1-CB 3.73Å; I462-Q465 VanDerWaalsContact CG1-CD 3.45Å; I462-Q465 HydrophobicContact CG1-CG 3.46Å; I462-Q465 VanDerWaalsContact CG1-CG 3.46Å; I462-Q465 PolarHBondContact O-N 3.03Å
463I94.6Very high95Very high78 Ų7845 Ų4540%0.422%0.221SC..G310 helixtrans-59.7-39.1-176.1-64.5166.6000110D412 R414 Q465 T466 N470D412-I463 HydrophobicContact CB-CB 4.26Å; D412-I463 HydrophobicContact CB-CD1 4.43Å; D412-I463 WeakPolarHBondContact O-CG1 3.23Å; D412-I463 PolarHBondContact O-N 3.37Å; R414-I463 HydrophobicContact CG-CB 4.48Å; R414-I463 HydrophobicContact CG-CG1 3.66Å; I463-Q465 VanDerWaalsContact C-N 3.26Å; I463-Q465 PolarHBondContact O-N 2.93Å; I463-T466 PolarHBondContact O-N 3.02Å; I463-T466 VanDerWaalsContact O-O 3.12Å; I463-N470 PolarHBondContact O-ND2 3.42Å
464S92.8Very high95.1Very high39 Ų3942.6 Ų42.627%0.27321%0.21SC..G310 helixtrans-70.6-14.4-178.356.30000115.6D412 I462 S514D412-S464 WeakPolarHBondContact OD2-CB 3.29Å; D412-S464 PolarHBondContact OD2-N 2.87Å; D412-S464 PolarHBondContact OD2-OG 3.34Å; I462-S464 VanDerWaalsContact CD1-OG 3.29Å; I462-S464 WeakPolarHBondContact CD1-OG 3.41Å; I462-S464 PolarHBondContact O-N 3.49Å; S464-S514 VanDerWaalsContact CB-OG 3.23Å; S464-S514 WeakPolarHBondContact CB-OG 3.29Å
465Q93.1Very high95.1Very high120 Ų12044.1 Ų44.156%0.56122%0.222SC*.G310 helixtrans-89.6-3179-83.3174.92.500113.7P460 I462 I463P460-Q465 HydrophobicContact CB-CB 4.05Å; I462-Q465 HydrophobicContact CD1-CB 4.49Å; I462-Q465 HydrophobicContact CD1-CG 3.7Å; I462-Q465 HydrophobicContact CG1-CB 3.73Å; I462-Q465 VanDerWaalsContact CG1-CD 3.45Å; I462-Q465 HydrophobicContact CG1-CG 3.46Å; I462-Q465 VanDerWaalsContact CG1-CG 3.46Å; I462-Q465 PolarHBondContact O-N 3.03Å; I463-Q465 VanDerWaalsContact C-N 3.26Å; I463-Q465 PolarHBondContact O-N 2.93Å
466T95Very high95.2Very high2 Ų245 Ų451%0.01223%0.231CC..  trans-135.2145-177.8-174.70000111.9P460 I463 F469 N470 E535P460-T466 HydrophobicContact CB-CG2 4.27Å; I463-T466 PolarHBondContact O-N 3.02Å; I463-T466 VanDerWaalsContact O-O 3.12Å; T466-F469 HydrophobicContact CG2-CB 3.89Å; T466-F469 WeakPolarHBondContact OG1-CD2 3.42Å; T466-F469 PolarHBondContact OG1-N 3.43Å; T466-N470 PolarHBondContact O-ND2 2.88Å; T466-E535 VanDerWaalsContact CA-OE1 3.24Å; T466-E535 WeakPolarHBondContact CA-OE1 3.29Å; T466-E535 WeakPolarHBondContact CB-OE1 3.39Å; T466-E535 PolarHBondContact OG1-OE1 3.01Å
467T94.6Very high95.3Very high7 Ų744.7 Ų44.74%0.04323%0.229CC..SBendtrans-106.3-48.6168.9-51.70000109.2F469 N470 M471 L511 I513 M532 E535T467-F469 VanDerWaalsContact C-N 3.34Å; T467-F469 PolarHBondContact O-N 2.85Å; T467-N470 PolarHBondContact O-N 2.79Å; T467-N470 VanDerWaalsContact O-N 3.1Å; T467-M471 HydrophobicContact CG2-SD 4.1Å; T467-M471 WeakPolarHBondContact O-CG 3.36Å; T467-L511 HydrophobicContact CG2-CB 4.28Å; T467-I513 HydrophobicContact CG2-CD1 4.28Å; T467-I513 HydrophobicContact CG2-CG1 3.56Å; T467-M532 HydrophobicContact CG2-CB 4.22Å; T467-M532 HydrophobicContact CG2-CG 4.31Å; T467-E535 WeakPolarHBondContact CA-OE2 3.38Å; T467-E535 VanDerWaalsContact CB-OE2 3.31Å; T467-E535 WeakPolarHBondContact CB-OE2 3.41Å; T467-E535 PolarHBondContact N-OE2 3.4Å
468I96.3Very high95.3Very high1 Ų142.9 Ų42.91%0.00523%0.225CC..G310 helixtrans-65.3-34.8-171.968.3179.5000112.9Y458 N470 M471 V474 M532 E535 L536 L539Y458-I468 HydrophobicContact CE1-CD1 4.06Å; I468-N470 VanDerWaalsContact C-N 3.28Å; I468-N470 PolarHBondContact O-N 2.85Å; I468-M471 PolarHBondContact O-N 3.22Å; I468-V474 HydrophobicContact CB-CG1 4.17Å; I468-V474 HydrophobicContact CB-CG2 4.3Å; I468-V474 WeakPolarHBondContact O-CB 3.43Å; I468-M532 HydrophobicContact CG2-CG 3.96Å; I468-M532 HydrophobicContact CG2-SD 4.29Å; I468-E535 HydrophobicContact CD1-CB 4.41Å; I468-E535 HydrophobicContact CD1-CG 3.92Å; I468-E535 HydrophobicContact CG1-CG 4.06Å; I468-E535 HydrophobicContact CG2-CB 3.98Å; I468-E535 HydrophobicContact CG2-CG 4.3Å; I468-E535 PolarHBondContact N-OE2 3.19Å; I468-L536 HydrophobicContact CD1-CD1 4.28Å; I468-L536 HydrophobicContact CG2-CB 4.1Å; I468-L539 HydrophobicContact CD1-CB 4.05Å; I468-L539 HydrophobicContact CD1-CD2 3.9Å
469F96Very high95.2Very high48 Ų4843.8 Ų43.821%0.21124%0.238CC..G310 helixtrans-79.6-11.5178.5-70.3-66.6000113.3Y458 P460 T466 T467 M471 A478 L539Y458-F469 AromaticContact CD1-CE2 3.57Å; Y458-F469 HydrophobicContact CD1-CE2 3.57Å; Y458-F469 HydrophobicContact CD1-CZ 4.16Å; Y458-F469 HydrophobicContact CE1-CD2 4.25Å; Y458-F469 AromaticContact CE1-CE2 3.61Å; Y458-F469 HydrophobicContact CE1-CE2 3.61Å; P460-F469 HydrophobicContact CG-CD2 4.23Å; P460-F469 HydrophobicContact CG-CE2 4.34Å; T466-F469 HydrophobicContact CG2-CB 3.89Å; T466-F469 WeakPolarHBondContact OG1-CD2 3.42Å; T466-F469 PolarHBondContact OG1-N 3.43Å; T467-F469 VanDerWaalsContact C-N 3.34Å; T467-F469 PolarHBondContact O-N 2.85Å; F469-M471 VanDerWaalsContact C-N 3.29Å; F469-A478 HydrophobicContact CD1-CB 4.41Å; F469-A478 HydrophobicContact CE1-CB 3.89Å; F469-L539 HydrophobicContact CZ-CD1 4.36Å; F469-L539 HydrophobicContact CZ-CD2 4.23Å
470N95.4Very high95.2Very high54 Ų5442.9 Ų42.929%0.28924%0.237SC..G310 helixtrans-88.52.4170.4-66-32.1000112.2I463 T466 T467 I468 P512I463-N470 PolarHBondContact O-ND2 3.42Å; T466-N470 PolarHBondContact O-ND2 2.88Å; T467-N470 PolarHBondContact O-N 2.79Å; T467-N470 VanDerWaalsContact O-N 3.1Å; I468-N470 VanDerWaalsContact C-N 3.28Å; I468-N470 PolarHBondContact O-N 2.85Å; N470-P512 HydrophobicContact CB-CB 4.03Å; N470-P512 HydrophobicContact CB-CG 3.7Å
471M95.6Very high95.3Very high11 Ų1142.4 Ų42.45%0.05423%0.233CC..  trans-110.7114.8-177-67.417265.700111.4T467 I468 F469 A473 V474 L501 M504 L511 P512 M532T467-M471 HydrophobicContact CG2-SD 4.1Å; T467-M471 WeakPolarHBondContact O-CG 3.36Å; I468-M471 PolarHBondContact O-N 3.22Å; F469-M471 VanDerWaalsContact C-N 3.29Å; M471-A473 PolarHBondContact O-N 3.09Å; M471-A473 VanDerWaalsContact O-N 3.13Å; M471-V474 HydrophobicContact CB-CB 4.43Å; M471-V474 HydrophobicContact CB-CG2 3.81Å; M471-V474 HydrophobicContact CE-CG2 4.24Å; M471-V474 PolarHBondContact O-N 3.02Å; M471-V474 HydrophobicContact SD-CG2 4.3Å; M471-L501 HydrophobicContact CE-CD2 3.45Å; M471-L501 VanDerWaalsContact CE-CD2 3.45Å; M471-M504 HydrophobicContact CE-CE 3.95Å; M471-M504 HydrophobicContact CE-SD 4.42Å; M471-L511 HydrophobicContact CE-CD2 3.57Å; M471-L511 HydrophobicContact SD-CD2 3.96Å; M471-P512 HydrophobicContact CG-CG 3.65Å; M471-M532 HydrophobicContact CE-CG 4.42Å; M471-M532 HydrophobicContact SD-CG 3.85Å
472Q94Very high95.4Very high156 Ų15638.2 Ų38.273%0.72921%0.214SC*.G310 helixtrans-59.2-29.5176.2-165.560.827.300112.9V474 V475Q472-V474 PolarHBondContact O-N 3.09Å; Q472-V475 PolarHBondContact O-N 3.5Å
473A95.4Very high95.3Very high34 Ų3441 Ų4128%0.28123%0.225SC..G310 helixtrans-61.5-24.917700000113.4M471 T497 L501 M504M471-A473 PolarHBondContact O-N 3.09Å; M471-A473 VanDerWaalsContact O-N 3.13Å; A473-T497 VanDerWaalsContact O-CG2 3.3Å; A473-T497 WeakPolarHBondContact O-CG2 3.26Å; A473-T497 PolarHBondContact O-OG1 2.92Å; A473-L501 HydrophobicContact CB-CD2 4.49Å; A473-M504 HydrophobicContact CB-SD 4.04Å
474V96.8Very high95.2Very high1 Ų143 Ų431%0.00623%0.233CC..G310 helixtrans-90.3-21.2-176.8-175.20000112.7I468 M471 Q472 P476 L477 A478 L501 L536I468-V474 HydrophobicContact CB-CG1 4.17Å; I468-V474 HydrophobicContact CB-CG2 4.3Å; I468-V474 WeakPolarHBondContact O-CB 3.43Å; M471-V474 HydrophobicContact CB-CB 4.43Å; M471-V474 HydrophobicContact CB-CG2 3.81Å; M471-V474 HydrophobicContact CE-CG2 4.24Å; M471-V474 PolarHBondContact O-N 3.02Å; M471-V474 HydrophobicContact SD-CG2 4.3Å; Q472-V474 PolarHBondContact O-N 3.09Å; V474-P476 VanDerWaalsContact C-CD 3.42Å; V474-P476 VanDerWaalsContact C-N 3.35Å; V474-L477 PolarHBondContact O-N 3.14Å; V474-A478 HydrophobicContact CG1-CB 4.23Å; V474-A478 PolarHBondContact O-N 2.87Å; V474-L501 HydrophobicContact CG2-CD1 4.32Å; V474-L501 HydrophobicContact CG2-CD2 4.1Å; V474-L536 HydrophobicContact CG1-CD1 3.82Å
475V94.6Very high95.3Very high63 Ų6345 Ų4538%0.38225%0.247SC..Hα-helixtrans-49.9-43.7-176.5176.30000113.9Q472 L477 A478 S479Q472-V475 PolarHBondContact O-N 3.5Å; V475-L477 PolarHBondContact O-N 3.15Å; V475-A478 PolarHBondContact O-N 3.13Å; V475-S479 WeakPolarHBondContact O-CB 3.3Å; V475-S479 PolarHBondContact O-N 3.18Å; V475-S479 PolarHBondContact O-OG 3.42Å
476P96.4Very high95.4Very high57 Ų5739.6 Ų39.637%0.3722%0.221SC..Hα-helixtrans-62.5-26.8179.4-22.634.3000114.2V474 V480V474-P476 VanDerWaalsContact C-CD 3.42Å; V474-P476 VanDerWaalsContact C-N 3.35Å; P476-V480 WeakPolarHBondContact O-CG2 3.47Å
477L97.9Very high95.5Very high0 Ų043 Ų430%024%0.242CC..Hα-helixtrans-85.7-49.9174.5-176.9160.3000110.5V474 V475 S479 V480 I481 C494 T497 I498 L536 L539 V540V474-L477 PolarHBondContact O-N 3.14Å; V475-L477 PolarHBondContact O-N 3.15Å; L477-S479 VanDerWaalsContact C-N 3.3Å; L477-S479 PolarHBondContact O-N 2.83Å; L477-V480 PolarHBondContact O-N 3.21Å; L477-I481 HydrophobicContact CD2-CB 4.11Å; L477-I481 HydrophobicContact CD2-CG1 4.42Å; L477-I481 HydrophobicContact CD2-CG2 4.11Å; L477-I481 WeakPolarHBondContact O-CB 3.45Å; L477-I481 WeakPolarHBondContact O-CG2 3.31Å; L477-I481 PolarHBondContact O-N 3.43Å; L477-C494 HydrophobicContact CD1-CB 4.19Å; L477-C494 HydrophobicContact CG-CB 4.12Å; L477-T497 HydrophobicContact CB-CG2 3.66Å; L477-T497 HydrophobicContact CD1-CG2 4.04Å; L477-I498 HydrophobicContact CD1-CD1 4.27Å; L477-I498 HydrophobicContact CD1-CG1 3.95Å; L477-L536 HydrophobicContact CD1-CD1 4.36Å; L477-L536 HydrophobicContact CD2-CD1 3.9Å; L477-L539 HydrophobicContact CD2-CD2 4.44Å; L477-V540 HydrophobicContact CD2-CG2 4.22Å
478A95.4Very high95.6Very high13 Ų1348 Ų4811%0.10727%0.265CS..Hα-helixtrans-63.3-33.2-173.600000113.6F469 V474 V475 L539F469-A478 HydrophobicContact CD1-CB 4.41Å; F469-A478 HydrophobicContact CE1-CB 3.89Å; V474-A478 HydrophobicContact CG1-CB 4.23Å; V474-A478 PolarHBondContact O-N 2.87Å; V475-A478 PolarHBondContact O-N 3.13Å; A478-L539 HydrophobicContact CB-CD2 4.02Å
479S93.8Very high95.6Very high68 Ų6854.5 Ų54.548%0.47630%0.295SS..THydrogen-bonded Turntrans-72.2-26.3179560000113.8V475 L477V475-S479 WeakPolarHBondContact O-CB 3.3Å; V475-S479 PolarHBondContact O-N 3.18Å; V475-S479 PolarHBondContact O-OG 3.42Å; L477-S479 VanDerWaalsContact C-N 3.3Å; L477-S479 PolarHBondContact O-N 2.83Å
480V96.4Very high95.7Very high14 Ų1452.7 Ų52.79%0.08529%0.288CS..THydrogen-bonded Turntrans-105.9-26.7-174.6-54.30000113.3P476 L477 V482 K483 L486 D490 C494P476-V480 WeakPolarHBondContact O-CG2 3.47Å; L477-V480 PolarHBondContact O-N 3.21Å; V480-V482 PolarHBondContact O-N 3.45Å; V480-V482 VanDerWaalsContact O-N 3.1Å; V480-K483 HydrophobicContact CB-CD 4.25Å; V480-K483 VanDerWaalsContact O-CB 3.27Å; V480-K483 WeakPolarHBondContact O-CB 3.47Å; V480-K483 VanDerWaalsContact O-CG 3.31Å; V480-K483 WeakPolarHBondContact O-CG 3.47Å; V480-K483 PolarHBondContact O-N 3.07Å; V480-L486 WeakPolarHBondContact O-CD2 3.49Å; V480-D490 HydrophobicContact CB-CB 4.21Å; V480-D490 VanDerWaalsContact CG1-OD1 3.29Å; V480-D490 WeakPolarHBondContact CG1-OD1 3.36Å; V480-D490 HydrophobicContact CG2-CB 4.1Å; V480-C494 VanDerWaalsContact CG2-SG 3.6Å
481I97.5Very high95.8Very high0 Ų050.4 Ų50.40%028%0.276CS..THydrogen-bonded Turntrans-64.5-17.4-177.5-159.464.9000113.4L477 L486 L539 V540 H543 H550 V553L477-I481 HydrophobicContact CD2-CB 4.11Å; L477-I481 HydrophobicContact CD2-CG1 4.42Å; L477-I481 HydrophobicContact CD2-CG2 4.11Å; L477-I481 WeakPolarHBondContact O-CB 3.45Å; L477-I481 WeakPolarHBondContact O-CG2 3.31Å; L477-I481 PolarHBondContact O-N 3.43Å; I481-L486 HydrophobicContact CD1-CD1 4.28Å; I481-L539 HydrophobicContact CG2-CD1 4.17Å; I481-L539 HydrophobicContact CG2-CD2 4.1Å; I481-L539 HydrophobicContact CG2-CG 3.99Å; I481-V540 HydrophobicContact CD1-CG1 4.44Å; I481-V540 HydrophobicContact CG1-CG2 4.27Å; I481-H543 VanDerWaalsContact O-CB 3.25Å; I481-H543 WeakPolarHBondContact O-CB 3.05Å; I481-H543 VanDerWaalsContact O-CG 3.26Å; I481-H550 PolarHBondContact O-CD2 3.05Å; I481-H550 PolarHBondContact O-NE2 2.59Å; I481-V553 HydrophobicContact CD1-CB 4.31Å; I481-V553 HydrophobicContact CD1-CG1 3.97Å
482V96.1Very high95.8Very high14 Ų1453.6 Ų53.69%0.08529%0.293CS..THydrogen-bonded Turntrans-85.5-9.1178.3-59.70000113.3V480V480-V482 PolarHBondContact O-N 3.45Å; V480-V482 VanDerWaalsContact O-N 3.1Å
483K94.8Very high95.9Very high82 Ų8248.5 Ų48.536%0.35727%0.271SS..SBendtrans-63.3158.1178.9-70.3175.2174.5175.20111.2V480 L486 D490 N546 H550V480-K483 HydrophobicContact CB-CD 4.25Å; V480-K483 VanDerWaalsContact O-CB 3.27Å; V480-K483 WeakPolarHBondContact O-CB 3.47Å; V480-K483 VanDerWaalsContact O-CG 3.31Å; V480-K483 WeakPolarHBondContact O-CG 3.47Å; V480-K483 PolarHBondContact O-N 3.07Å; K483-L486 HydrophobicContact CB-CD2 4.41Å; K483-D490 IonicContact NZ-OD1 3.46Å; K483-D490 PolarHBondContact NZ-OD1 3.48Å; K483-D490 IonicContact NZ-OD2 3.48Å; K483-D490 PolarHBondContact NZ-OD2 2.71Å; K483-N546 PolarHBondContact O-ND2 3.09Å; K483-H550 PolarHBondContact O-CE1 2.75Å; K483-H550 PolarHBondContact O-NE2 3.16Å
484E91.9Very high96Very high120 Ų12046.9 Ų46.956%0.56126%0.257SS*.SBendtrans-66.6-39.6175.1-174.6172-163.900111.9
485S93.6Very high96Very high81 Ų8149.6 Ų49.657%0.56627%0.27SS*.SBendtrans-140.3150.617360.60000110.7
486L96.1Very high96.1Very high6 Ų651.5 Ų51.53%0.03127%0.273CS..  trans-98.6138.2179.2-57.4179.7000111V480 I481 K483 D490 V491 K549 V553V480-L486 WeakPolarHBondContact O-CD2 3.49Å; I481-L486 HydrophobicContact CD1-CD1 4.28Å; K483-L486 HydrophobicContact CB-CD2 4.41Å; L486-D490 HydrophobicContact CB-CB 4.09Å; L486-D490 HydrophobicContact CD2-CB 4.16Å; L486-V491 HydrophobicContact CB-CG2 4.01Å; L486-V491 HydrophobicContact CD1-CG2 4.21Å; L486-K549 HydrophobicContact CB-CB 3.92Å; L486-K549 HydrophobicContact CB-CD 4.06Å; L486-K549 HydrophobicContact CD1-CB 4.14Å; L486-K549 HydrophobicContact CG-CB 4.38Å; L486-K549 WeakPolarHBondContact O-CD 3.38Å; L486-K549 WeakPolarHBondContact O-CE 3.48Å; L486-K549 PolarHBondContact O-NZ 2.87Å; L486-V553 HydrophobicContact CD1-CG2 4.11Å
487T96.6Very high96.2Very high73 Ų7348.9 Ų48.945%0.44826%0.256SS..  trans-76.8167.1165.7660000110.7E489 D490 V491T487-E489 PolarHBondContact O-N 2.8Å; T487-D490 WeakPolarHBondContact CB-OD2 3.42Å; T487-D490 WeakPolarHBondContact CG2-OD2 3.42Å; T487-D490 PolarHBondContact N-OD2 2.86Å; T487-D490 PolarHBondContact O-N 2.81Å; T487-D490 PolarHBondContact OG1-N 3.35Å; T487-D490 PolarHBondContact OG1-OD2 3.28Å; T487-V491 WeakPolarHBondContact O-CG2 3.28Å; T487-V491 PolarHBondContact O-N 3.2Å; T487-V491 VanDerWaalsContact O-N 3.12Å
488E96.5Very high96.2Very high113 Ų11348.9 Ų48.953%0.52826%0.256SS..Hα-helixtrans-63.2-32.9173.6-67.1-55127.600111.8V491 L492 K549E488-V491 PolarHBondContact O-N 3Å; E488-L492 PolarHBondContact O-N 3.08Å; E488-K549 WeakPolarHBondContact OE1-CE 3.36Å; E488-K549 IonicContact OE1-NZ 3.22Å; E488-K549 PolarHBondContact OE1-NZ 3.16Å
489E97Very high96.3Very high137 Ų13753.8 Ų53.864%0.6427%0.273SS*.Hα-helixtrans-67.5-42.9174.4-173.3178.5-179.600111.8T487 V491 L492 N493T487-E489 PolarHBondContact O-N 2.8Å; E489-V491 VanDerWaalsContact C-N 3.31Å; E489-V491 PolarHBondContact O-N 3.06Å; E489-L492 PolarHBondContact O-N 3.47Å; E489-N493 WeakPolarHBondContact O-CB 3.46Å; E489-N493 VanDerWaalsContact O-CG 3.3Å; E489-N493 PolarHBondContact O-N 2.86Å; E489-N493 PolarHBondContact O-ND2 3.09Å
490D97.3Very high96.4Very high10 Ų1054.6 Ų54.65%0.05327%0.272CS..Hα-helixtrans-57.3-45.7174.5-65.6-51.8000110.5V480 K483 L486 T487 L492 N493 C494V480-D490 HydrophobicContact CB-CB 4.21Å; V480-D490 VanDerWaalsContact CG1-OD1 3.29Å; V480-D490 WeakPolarHBondContact CG1-OD1 3.36Å; V480-D490 HydrophobicContact CG2-CB 4.1Å; K483-D490 IonicContact NZ-OD1 3.46Å; K483-D490 PolarHBondContact NZ-OD1 3.48Å; K483-D490 IonicContact NZ-OD2 3.48Å; K483-D490 PolarHBondContact NZ-OD2 2.71Å; L486-D490 HydrophobicContact CB-CB 4.09Å; L486-D490 HydrophobicContact CD2-CB 4.16Å; T487-D490 WeakPolarHBondContact CB-OD2 3.42Å; T487-D490 WeakPolarHBondContact CG2-OD2 3.42Å; T487-D490 PolarHBondContact N-OD2 2.86Å; T487-D490 PolarHBondContact O-N 2.81Å; T487-D490 PolarHBondContact OG1-N 3.35Å; T487-D490 PolarHBondContact OG1-OD2 3.28Å; D490-L492 PolarHBondContact O-N 3.1Å; D490-N493 PolarHBondContact O-N 3.36Å; D490-C494 PolarHBondContact O-N 3.36Å; D490-C494 PolarHBondContact O-SG 2.95Å
491V97.3Very high96.4Very high6 Ų654 Ų544%0.03627%0.268CS..Hα-helixtrans-61.3-45.6177.9174.30000111.4L486 T487 E488 E489 N493 C494 Q495 K549 V553L486-V491 HydrophobicContact CB-CG2 4.01Å; L486-V491 HydrophobicContact CD1-CG2 4.21Å; T487-V491 WeakPolarHBondContact O-CG2 3.28Å; T487-V491 PolarHBondContact O-N 3.2Å; T487-V491 VanDerWaalsContact O-N 3.12Å; E488-V491 PolarHBondContact O-N 3Å; E489-V491 VanDerWaalsContact C-N 3.31Å; E489-V491 PolarHBondContact O-N 3.06Å; V491-N493 VanDerWaalsContact C-N 3.3Å; V491-N493 PolarHBondContact O-N 2.62Å; V491-C494 WeakPolarHBondContact O-CB 3.42Å; V491-C494 PolarHBondContact O-N 3.08Å; V491-Q495 HydrophobicContact CG1-CG 4.49Å; V491-Q495 WeakPolarHBondContact O-CG 3.32Å; V491-Q495 PolarHBondContact O-N 2.88Å; V491-K549 HydrophobicContact CG2-CB 3.86Å; V491-K549 HydrophobicContact CG2-CD 4Å; V491-K549 HydrophobicContact CG2-CG 4.05Å; V491-V553 HydrophobicContact CG1-CG2 4.48Å
492L96.3Very high96.3Very high78 Ų7854.8 Ų54.841%0.40827%0.273SS..Hα-helixtrans-60.6-41.1177.2178.963.5000111.5E488 E489 D490 Q495 K496E488-L492 PolarHBondContact O-N 3.08Å; E489-L492 PolarHBondContact O-N 3.47Å; D490-L492 PolarHBondContact O-N 3.1Å; L492-Q495 PolarHBondContact O-N 3.13Å; L492-K496 HydrophobicContact CD1-CG 4.46Å; L492-K496 HydrophobicContact CG-CD 4.26Å; L492-K496 WeakPolarHBondContact O-CB 2.93Å; L492-K496 WeakPolarHBondContact O-CG 3.45Å; L492-K496 PolarHBondContact O-N 3.22Å
493N96.4Very high96.2Very high49 Ų4957.1 Ų57.126%0.26229%0.285SS..Hα-helixtrans-65.2-42.6177-71.2-25.1000111.4E489 D490 V491 Q495 K496 T497E489-N493 WeakPolarHBondContact O-CB 3.46Å; E489-N493 VanDerWaalsContact O-CG 3.3Å; E489-N493 PolarHBondContact O-N 2.86Å; E489-N493 PolarHBondContact O-ND2 3.09Å; D490-N493 PolarHBondContact O-N 3.36Å; V491-N493 VanDerWaalsContact C-N 3.3Å; V491-N493 PolarHBondContact O-N 2.62Å; N493-Q495 PolarHBondContact O-N 2.87Å; N493-K496 PolarHBondContact O-N 2.79Å; N493-T497 PolarHBondContact O-N 3.3Å; N493-T497 PolarHBondContact O-OG1 2.64Å
494C97.8Very high96.2Very high0 Ų055.1 Ų55.10%028%0.277CS..Hα-helixtrans-58.6-46.5172.8-64.30000112L477 V480 D490 V491 T497 I498 V553L477-C494 HydrophobicContact CD1-CB 4.19Å; L477-C494 HydrophobicContact CG-CB 4.12Å; V480-C494 VanDerWaalsContact CG2-SG 3.6Å; D490-C494 PolarHBondContact O-N 3.36Å; D490-C494 PolarHBondContact O-SG 2.95Å; V491-C494 WeakPolarHBondContact O-CB 3.42Å; V491-C494 PolarHBondContact O-N 3.08Å; C494-T497 PolarHBondContact O-N 2.81Å; C494-I498 WeakPolarHBondContact O-CG1 3.33Å; C494-I498 PolarHBondContact O-N 3.27Å; C494-V553 HydrophobicContact CB-CG1 3.82Å; C494-V553 HydrophobicContact CB-CG2 3.78Å
495Q96.5Very high96.3Very high57 Ų5751.6 Ų51.627%0.26626%0.26SS..Hα-helixtrans-63.2-45.4178.8-71.6176.5-14.800112V491 L492 N493 T497 I498 Y499 C556V491-Q495 HydrophobicContact CG1-CG 4.49Å; V491-Q495 WeakPolarHBondContact O-CG 3.32Å; V491-Q495 PolarHBondContact O-N 2.88Å; L492-Q495 PolarHBondContact O-N 3.13Å; N493-Q495 PolarHBondContact O-N 2.87Å; Q495-T497 VanDerWaalsContact C-N 3.32Å; Q495-T497 PolarHBondContact O-N 2.92Å; Q495-I498 PolarHBondContact O-N 2.79Å; Q495-I498 VanDerWaalsContact O-N 3.15Å; Q495-Y499 HydrophobicContact CB-CE2 4.12Å; Q495-Y499 VanDerWaalsContact O-CD2 3.29Å; Q495-Y499 WeakPolarHBondContact O-CD2 3.38Å; Q495-Y499 VanDerWaalsContact O-CG 3.29Å; Q495-Y499 PolarHBondContact O-N 2.81Å; Q495-C556 HydrophobicContact CG-CB 4.44Å
496K97.2Very high96.2Very high103 Ų10356.9 Ų56.945%0.44827%0.268SS..Hα-helixtrans-58.3-43.6174.8-76.5174.2-179.3171.10111.7L492 N493 I498 Y499 N500L492-K496 HydrophobicContact CD1-CG 4.46Å; L492-K496 HydrophobicContact CG-CD 4.26Å; L492-K496 WeakPolarHBondContact O-CB 2.93Å; L492-K496 WeakPolarHBondContact O-CG 3.45Å; L492-K496 PolarHBondContact O-N 3.22Å; N493-K496 PolarHBondContact O-N 2.79Å; K496-I498 PolarHBondContact O-N 3.26Å; K496-Y499 PolarHBondContact O-N 3.12Å; K496-N500 WeakPolarHBondContact O-CB 3.48Å; K496-N500 PolarHBondContact O-N 3.18Å; K496-N500 PolarHBondContact O-ND2 3.45Å; K496-N500 PolarHBondContact O-OD1 2.86Å
497T98Very high96.1Very high3 Ų363.6 Ų63.62%0.01830%0.297CS..Hα-helixtrans-58.7-46.5174.5-72.10000111.3A473 L477 N493 C494 Q495 Y499 N500 L501A473-T497 VanDerWaalsContact O-CG2 3.3Å; A473-T497 WeakPolarHBondContact O-CG2 3.26Å; A473-T497 PolarHBondContact O-OG1 2.92Å; L477-T497 HydrophobicContact CB-CG2 3.66Å; L477-T497 HydrophobicContact CD1-CG2 4.04Å; N493-T497 PolarHBondContact O-N 3.3Å; N493-T497 PolarHBondContact O-OG1 2.64Å; C494-T497 PolarHBondContact O-N 2.81Å; Q495-T497 VanDerWaalsContact C-N 3.32Å; Q495-T497 PolarHBondContact O-N 2.92Å; T497-Y499 PolarHBondContact O-N 2.82Å; T497-N500 PolarHBondContact O-N 2.89Å; T497-L501 HydrophobicContact CG2-CD1 4.26Å; T497-L501 VanDerWaalsContact O-CG 3.31Å; T497-L501 WeakPolarHBondContact O-CG 3.2Å; T497-L501 PolarHBondContact O-N 2.99Å
498I97.6Very high95.8Very high0 Ų064 Ų640%030%0.296CS..Hα-helixtrans-60.4-46.1177.7-66.7162.2000111L477 C494 Q495 K496 N500 L501 V502 W533 V553 C556 L557 C560L477-I498 HydrophobicContact CD1-CD1 4.27Å; L477-I498 HydrophobicContact CD1-CG1 3.95Å; C494-I498 WeakPolarHBondContact O-CG1 3.33Å; C494-I498 PolarHBondContact O-N 3.27Å; Q495-I498 PolarHBondContact O-N 2.79Å; Q495-I498 VanDerWaalsContact O-N 3.15Å; K496-I498 PolarHBondContact O-N 3.26Å; I498-N500 PolarHBondContact O-N 2.87Å; I498-L501 PolarHBondContact O-N 2.78Å; I498-V502 PolarHBondContact O-N 3Å; I498-V502 VanDerWaalsContact O-N 3.09Å; I498-W533 HydrophobicContact CG2-CH2 4.1Å; I498-W533 HydrophobicContact CG2-CZ3 4.29Å; I498-V553 HydrophobicContact CD1-CG1 4.23Å; I498-C556 HydrophobicContact CD1-CB 4.13Å; I498-L557 HydrophobicContact CD1-CB 3.95Å; I498-C560 HydrophobicContact CG2-CB 3.55Å
499Y96.9Very high95.6Very high116 Ų11661.2 Ų61.246%0.45529%0.285SS..Hα-helixtrans-64.3-38.8178.7-60.1-32.2000112.8Q495 K496 T497 L501 V502 D503 C560Q495-Y499 HydrophobicContact CB-CE2 4.12Å; Q495-Y499 VanDerWaalsContact O-CD2 3.29Å; Q495-Y499 WeakPolarHBondContact O-CD2 3.38Å; Q495-Y499 VanDerWaalsContact O-CG 3.29Å; Q495-Y499 PolarHBondContact O-N 2.81Å; K496-Y499 PolarHBondContact O-N 3.12Å; T497-Y499 PolarHBondContact O-N 2.82Å; Y499-L501 VanDerWaalsContact C-N 3.3Å; Y499-L501 PolarHBondContact O-N 3.03Å; Y499-V502 WeakPolarHBondContact O-CB 3.46Å; Y499-V502 PolarHBondContact O-N 2.83Å; Y499-D503 PolarHBondContact O-N 2.92Å; Y499-C560 VanDerWaalsContact CE1-SG 3.55Å
500N96.4Very high95.3Very high85 Ų8558.9 Ų58.946%0.45528%0.282SS..Hα-helixtrans-61.3-39.8174.5-69.9-18.7000111.6K496 T497 I498 D503 M504K496-N500 WeakPolarHBondContact O-CB 3.48Å; K496-N500 PolarHBondContact O-N 3.18Å; K496-N500 PolarHBondContact O-ND2 3.45Å; K496-N500 PolarHBondContact O-OD1 2.86Å; T497-N500 PolarHBondContact O-N 2.89Å; I498-N500 PolarHBondContact O-N 2.87Å; N500-D503 PolarHBondContact O-N 3.31Å; N500-M504 WeakPolarHBondContact O-CG 3.23Å; N500-M504 PolarHBondContact O-N 2.88Å
501L96Very high95Very high0 Ų059.1 Ų59.10%028%0.283CS..Hα-helixtrans-66.6-36.5176.9-65.6170.6000112.3M471 A473 V474 T497 I498 Y499 D503 M504 E505 M532 W533 L536M471-L501 HydrophobicContact CE-CD2 3.45Å; M471-L501 VanDerWaalsContact CE-CD2 3.45Å; A473-L501 HydrophobicContact CB-CD2 4.49Å; V474-L501 HydrophobicContact CG2-CD1 4.32Å; V474-L501 HydrophobicContact CG2-CD2 4.1Å; T497-L501 HydrophobicContact CG2-CD1 4.26Å; T497-L501 VanDerWaalsContact O-CG 3.31Å; T497-L501 WeakPolarHBondContact O-CG 3.2Å; T497-L501 PolarHBondContact O-N 2.99Å; I498-L501 PolarHBondContact O-N 2.78Å; Y499-L501 VanDerWaalsContact C-N 3.3Å; Y499-L501 PolarHBondContact O-N 3.03Å; L501-D503 VanDerWaalsContact C-N 3.33Å; L501-M504 HydrophobicContact CD2-SD 4.15Å; L501-M504 PolarHBondContact O-N 2.8Å; L501-E505 PolarHBondContact O-N 3.01Å; L501-M532 HydrophobicContact CB-CE 4.33Å; L501-M532 HydrophobicContact CD1-SD 4.13Å; L501-M532 HydrophobicContact CD2-CE 4.33Å; L501-M532 HydrophobicContact CD2-SD 4.33Å; L501-W533 HydrophobicContact CB-CH2 3.56Å; L501-W533 HydrophobicContact CB-CZ2 3.79Å; L501-W533 HydrophobicContact CB-CZ3 4.37Å; L501-W533 HydrophobicContact CD1-CH2 4.12Å; L501-W533 HydrophobicContact CD1-CZ3 4.11Å; L501-L536 HydrophobicContact CD1-CD2 3.54Å
502V95.4Very high94.6Very high18 Ų1861.5 Ų61.511%0.10930%0.299CS..Hα-helixtrans-61.4-43.4171.5173.20000110.8I498 Y499 M504 E505 R506 W533 C560I498-V502 PolarHBondContact O-N 3Å; I498-V502 VanDerWaalsContact O-N 3.09Å; Y499-V502 WeakPolarHBondContact O-CB 3.46Å; Y499-V502 PolarHBondContact O-N 2.83Å; V502-M504 VanDerWaalsContact C-N 3.34Å; V502-E505 PolarHBondContact O-N 3.43Å; V502-R506 HydrophobicContact CG1-CG 4.49Å; V502-R506 VanDerWaalsContact O-CG 3.3Å; V502-R506 WeakPolarHBondContact O-CG 3.46Å; V502-R506 PolarHBondContact O-N 2.77Å; V502-W533 HydrophobicContact CG2-CH2 4.21Å; V502-W533 HydrophobicContact CG2-CZ2 4.02Å; V502-C560 HydrophobicContact CG2-CB 3.68Å
503D94.8Very high93.8Very high63 Ų6359.3 Ų59.334%0.33729%0.287SS..Hα-helixtrans-67.6-34.8178.1-75.6-17.6000112.4Y499 N500 L501 R506 K507Y499-D503 PolarHBondContact O-N 2.92Å; N500-D503 PolarHBondContact O-N 3.31Å; L501-D503 VanDerWaalsContact C-N 3.33Å; D503-R506 PolarHBondContact O-N 2.88Å; D503-R506 IonicContact OD1-NH1 3.91Å; D503-R506 PolarHBondContact OD1-NH1 3.31Å; D503-K507 WeakPolarHBondContact O-CB 3.4Å; D503-K507 WeakPolarHBondContact O-CD 3.44Å; D503-K507 VanDerWaalsContact O-CG 3.24Å; D503-K507 WeakPolarHBondContact O-CG 3.49Å; D503-K507 PolarHBondContact O-N 2.81Å
504M94.6Very high92.8Very high40 Ų4059.3 Ų59.320%0.19729%0.291CS..Hα-helixtrans-63.3-44.2171.3-70.9176.76700111.6M471 A473 N500 L501 V502 K507 N508 D509 L511 Y529M471-M504 HydrophobicContact CE-CE 3.95Å; M471-M504 HydrophobicContact CE-SD 4.42Å; A473-M504 HydrophobicContact CB-SD 4.04Å; N500-M504 WeakPolarHBondContact O-CG 3.23Å; N500-M504 PolarHBondContact O-N 2.88Å; L501-M504 HydrophobicContact CD2-SD 4.15Å; L501-M504 PolarHBondContact O-N 2.8Å; V502-M504 VanDerWaalsContact C-N 3.34Å; M504-K507 CarbonylContact O-C 3.55Å; M504-K507 PolarHBondContact O-N 2.87Å; M504-N508 PolarHBondContact O-N 3.32Å; M504-D509 HydrophobicContact CB-CB 4.25Å; M504-D509 HydrophobicContact CE-CB 4.42Å; M504-D509 PolarHBondContact O-N 2.89Å; M504-L511 HydrophobicContact CE-CD2 4.13Å; M504-Y529 VanDerWaalsContact C-OH 3.24Å; M504-Y529 HydrophobicContact CB-CE1 4.24Å; M504-Y529 PolarHBondContact O-OH 3.37Å; M504-Y529 VanDerWaalsContact O-OH 3.1Å
505E94.1Very high91.2Very high45 Ų4563 Ų6321%0.2131%0.313CS..Hα-helixtrans-61.5-44.8176-172.6174.9-177.200111.3L501 V502 K507 N508 Y529 W533 S562L501-E505 PolarHBondContact O-N 3.01Å; V502-E505 PolarHBondContact O-N 3.43Å; E505-K507 VanDerWaalsContact C-N 3.32Å; E505-K507 PolarHBondContact O-N 3.23Å; E505-N508 WeakPolarHBondContact O-CA 3.46Å; E505-N508 PolarHBondContact O-N 3.19Å; E505-Y529 VanDerWaalsContact CA-CE1 3.43Å; E505-Y529 HydrophobicContact CB-CD1 3.51Å; E505-Y529 HydrophobicContact CB-CD2 4.46Å; E505-Y529 HydrophobicContact CB-CE1 3.61Å; E505-Y529 HydrophobicContact CB-CG 3.99Å; E505-Y529 HydrophobicContact CG-CD1 3.75Å; E505-Y529 HydrophobicContact CG-CD2 4.15Å; E505-Y529 HydrophobicContact CG-CE1 4.27Å; E505-Y529 HydrophobicContact CG-CG 3.7Å; E505-W533 PolarHBondContact OE2-NE1 2.8Å; E505-S562 PolarHBondContact OE1-OG 2.51Å
506R92.3Very high89.2Confident193 Ų19366.1 Ų66.173%0.72834%0.336SS*.Hα-helixtrans-61.3-38.2176.2-74.4171.6175.7173.1-2.7113V502 D503 N508V502-R506 HydrophobicContact CG1-CG 4.49Å; V502-R506 VanDerWaalsContact O-CG 3.3Å; V502-R506 WeakPolarHBondContact O-CG 3.46Å; V502-R506 PolarHBondContact O-N 2.77Å; D503-R506 PolarHBondContact O-N 2.88Å; D503-R506 IonicContact OD1-NH1 3.91Å; D503-R506 PolarHBondContact OD1-NH1 3.31Å; R506-N508 PolarHBondContact O-N 3.23Å
507K93.6Very high87.2Confident146 Ų14665.1 Ų65.164%0.63536%0.355SS*.Hα-helixtrans-77.3-9.4174.9-69.4169.1-169.8166.60112.8D503 M504 E505 D509D503-K507 WeakPolarHBondContact O-CB 3.4Å; D503-K507 WeakPolarHBondContact O-CD 3.44Å; D503-K507 VanDerWaalsContact O-CG 3.24Å; D503-K507 WeakPolarHBondContact O-CG 3.49Å; D503-K507 PolarHBondContact O-N 2.81Å; M504-K507 CarbonylContact O-C 3.55Å; M504-K507 PolarHBondContact O-N 2.87Å; E505-K507 VanDerWaalsContact C-N 3.32Å; E505-K507 PolarHBondContact O-N 3.23Å; K507-D509 VanDerWaalsContact C-N 3.26Å; K507-D509 WeakPolarHBondContact CB-OD1 3.48Å; K507-D509 PolarHBondContact O-N 2.78Å
508N90.4Very high84.9Confident82 Ų8269.5 Ų69.544%0.43938%0.382SS..THydrogen-bonded Turntrans60.635.9-176.9-158.720.6000112.8M504 E505 R506 R525M504-N508 PolarHBondContact O-N 3.32Å; E505-N508 WeakPolarHBondContact O-CA 3.46Å; E505-N508 PolarHBondContact O-N 3.19Å; R506-N508 PolarHBondContact O-N 3.23Å; N508-R525 PolarHBondContact O-NE 2.92Å; N508-R525 WeakPolarHBondContact OD1-CB 3.39Å; N508-R525 WeakPolarHBondContact OD1-CG 3.5Å
509D92.7Very high82.3Confident54 Ų5482.1 Ų82.129%0.28943%0.43SS..  trans-63.5146.5-176.3-71.9-21.5000111.1M504 K507 Y529M504-D509 HydrophobicContact CB-CB 4.25Å; M504-D509 HydrophobicContact CE-CB 4.42Å; M504-D509 PolarHBondContact O-N 2.89Å; K507-D509 VanDerWaalsContact C-N 3.26Å; K507-D509 WeakPolarHBondContact CB-OD1 3.48Å; K507-D509 PolarHBondContact O-N 2.78Å; D509-Y529 PolarHBondContact N-OH 2.94Å; D509-Y529 WeakPolarHBondContact O-CE2 3.34Å; D509-Y529 PolarHBondContact O-OH 3.18Å
510P90.1Very high80.4Confident89 Ų8979.6 Ų79.658%0.57844%0.439SS*.  trans-65.1137.9175.420.7-27.7000114.1R525P510-R525 VanDerWaalsContact CA-NH1 3.31Å; P510-R525 VanDerWaalsContact CB-NH2 3.32Å
511L91.3Very high78.6Confident14 Ų1486 Ų867%0.07346%0.463CS..  trans-106.4147.6171.9-59.6-173.8000112.1T467 M471 M504 I513 Q528 Y529 M532T467-L511 HydrophobicContact CG2-CB 4.28Å; M471-L511 HydrophobicContact CE-CD2 3.57Å; M471-L511 HydrophobicContact SD-CD2 3.96Å; M504-L511 HydrophobicContact CE-CD2 4.13Å; L511-I513 HydrophobicContact CB-CD1 4.38Å; L511-I513 HydrophobicContact CB-CG1 4.12Å; L511-I513 PolarHBondContact O-N 3.29Å; L511-Q528 HydrophobicContact CD1-CB 4.22Å; L511-Y529 HydrophobicContact CD1-CD1 3.86Å; L511-Y529 HydrophobicContact CD1-CD2 4.09Å; L511-Y529 HydrophobicContact CD1-CE1 3.9Å; L511-Y529 HydrophobicContact CD1-CE2 4.12Å; L511-Y529 HydrophobicContact CD1-CG 3.94Å; L511-Y529 HydrophobicContact CD2-CE1 3.96Å; L511-Y529 HydrophobicContact CG-CD2 4.49Å; L511-Y529 HydrophobicContact CG-CE1 4.16Å; L511-Y529 HydrophobicContact CG-CE2 4.06Å; L511-M532 HydrophobicContact CD1-CB 3.69Å; L511-M532 HydrophobicContact CD1-CG 4Å
512P87.1Confident77Confident57 Ų5787.7 Ų87.737%0.3748%0.481SS..  trans-79.860.9-179.435-37000111.8N470 M471N470-P512 HydrophobicContact CB-CB 4.03Å; N470-P512 HydrophobicContact CB-CG 3.7Å; M471-P512 HydrophobicContact CG-CG 3.65Å
513I81.1Confident76Confident31 Ų3189 Ų8916%0.15949%0.489CS..  trans-87.4127.8178.6-61.2-176.3000109.9T467 L511 T515 Q528 I531T467-I513 HydrophobicContact CG2-CD1 4.28Å; T467-I513 HydrophobicContact CG2-CG1 3.56Å; L511-I513 HydrophobicContact CB-CD1 4.38Å; L511-I513 HydrophobicContact CB-CG1 4.12Å; L511-I513 PolarHBondContact O-N 3.29Å; I513-T515 PolarHBondContact O-N 2.88Å; I513-Q528 HydrophobicContact CD1-CB 3.32Å; I513-Q528 HydrophobicContact CD1-CG 3.71Å; I513-Q528 WeakPolarHBondContact CD1-O 3.48Å; I513-Q528 HydrophobicContact CG1-CB 4.47Å; I513-I531 HydrophobicContact CD1-CB 4.49Å
514S74.1Confident75.5Confident49 Ų4993.9 Ų93.934%0.34351%0.508SS..  trans-68.6127.3176.2-174.30000111.4S464 V516S464-S514 VanDerWaalsContact CB-OG 3.23Å; S464-S514 WeakPolarHBondContact CB-OG 3.29Å; S514-V516 WeakPolarHBondContact OG-CG2 3.41Å
515T64.2Low75.2Confident77 Ų7796 Ų9647%0.47251%0.513SS..  trans-101.615.1176.1520000112.8I513 G517 T518I513-T515 PolarHBondContact O-N 2.88Å; T515-G517 PolarHBondContact O-N 3.41Å; T515-G517 VanDerWaalsContact O-N 3.11Å; T515-T518 PolarHBondContact O-N 2.84Å; T515-T518 PolarHBondContact O-OG1 2.89Å
516V56Low74.9Confident124 Ų12499.8 Ų99.875%0.75254%0.535SS*.THydrogen-bonded Turntrans-57.1116.5-176.8176.20000109.9S514S514-V516 WeakPolarHBondContact OG-CG2 3.41Å
517G54.6Low74.7Confident82 Ų8293.7 Ų93.785%0.84552%0.515SS*.THydrogen-bonded Turntrans103.4-18.1176.900000116T515 R519T515-G517 PolarHBondContact O-N 3.41Å; T515-G517 VanDerWaalsContact O-N 3.11Å; G517-R519 PolarHBondContact O-N 3.35Å
518T50.3Low74.6Confident95 Ų9587.8 Ų87.858%0.58349%0.49SS*.  trans-91.6103.3177.828.40000112.2T515 G520T515-T518 PolarHBondContact O-N 2.84Å; T515-T518 PolarHBondContact O-OG1 2.89Å; T518-G520 PolarHBondContact O-N 3.35Å; T518-G520 VanDerWaalsContact O-N 3.08Å
519R41.4Very low74.7Confident265 Ų26584 Ų84100%147%0.469SS*.  trans-69.595.5161.2-93.1-176.2172.9173.6-1.1108.7G517G517-R519 PolarHBondContact O-N 3.35Å
520G58.3Low74.7Confident63 Ų6386.8 Ų86.865%0.64948%0.476SS*.SBendtrans168.1178.5176.400000113.9T518 G522T518-G520 PolarHBondContact O-N 3.35Å; T518-G520 VanDerWaalsContact O-N 3.08Å; G520-G522 PolarHBondContact O-N 2.71Å
521K57.2Low74.7Confident218 Ų21885.2 Ų85.295%0.94846%0.462SS*.SBendtrans-63.1120.1165.6-68.4-175.4179.7-178.10107
522G63.6Low74.9Confident37 Ų3784.6 Ų84.638%0.38146%0.459SS..PPolyproline II helixtrans-54.8168.9179.900000113.2G520 K524G520-G522 PolarHBondContact O-N 2.71Å; G522-K524 PolarHBondContact O-N 3.39Å
523P73.8Confident75.3Confident44 Ų4481.9 Ų81.929%0.28644%0.441SS..PPolyproline II helixtrans-53.2140.1-177.119.7-30.9000111.4E527 Q528P523-E527 HydrophobicContact CB-CB 4.08Å; P523-E527 HydrophobicContact CB-CG 3.81Å; P523-Q528 HydrophobicContact CG-CG 4.36Å; P523-Q528 PolarHBondContact O-NE2 3.3Å; P523-Q528 VanDerWaalsContact O-NE2 3.17Å
524K85.6Confident76Confident166 Ų16682.9 Ų82.972%0.72245%0.446SS*.PPolyproline II helixtrans-56.3150.9175.8-67.6-176.9179.9179.60109.7G522 D526 E527 Q528G522-K524 PolarHBondContact O-N 3.39Å; K524-D526 VanDerWaalsContact C-N 3.26Å; K524-D526 PolarHBondContact O-N 2.94Å; K524-E527 WeakPolarHBondContact O-CA 3.26Å; K524-E527 VanDerWaalsContact O-CB 3.27Å; K524-E527 WeakPolarHBondContact O-CB 3.15Å; K524-E527 PolarHBondContact O-N 2.94Å; K524-Q528 WeakPolarHBondContact O-CG 3.32Å; K524-Q528 PolarHBondContact O-N 3.46Å
525R87.6Confident77Confident85 Ų8581.2 Ų81.232%0.32143%0.433SS..Hα-helixtrans-50.2-43.4-179.5-75.3-72.6-161.8-122.8-5.3113.9N508 P510 E527 Q528 Y529N508-R525 PolarHBondContact O-NE 2.92Å; N508-R525 WeakPolarHBondContact OD1-CB 3.39Å; N508-R525 WeakPolarHBondContact OD1-CG 3.5Å; P510-R525 VanDerWaalsContact CA-NH1 3.31Å; P510-R525 VanDerWaalsContact CB-NH2 3.32Å; R525-E527 PolarHBondContact O-N 3.06Å; R525-Q528 WeakPolarHBondContact O-CA 3.49Å; R525-Q528 VanDerWaalsContact O-CB 3.26Å; R525-Q528 WeakPolarHBondContact O-CB 3.41Å; R525-Q528 PolarHBondContact O-N 2.86Å; R525-Y529 WeakPolarHBondContact O-CD2 3.33Å; R525-Y529 PolarHBondContact O-N 3.16Å
526D87.4Confident78.6Confident125 Ų12577.6 Ų77.667%0.66841%0.411SS*.Hα-helixtrans-57.3-39.7176.9-50.7-33.7000112K524 R530K524-D526 VanDerWaalsContact C-N 3.26Å; K524-D526 PolarHBondContact O-N 2.94Å; D526-R530 WeakPolarHBondContact O-CB 3.38Å; D526-R530 PolarHBondContact O-N 2.88Å
527E89Confident80.5Confident65 Ų6573 Ų7330%0.30438%0.382SS..Hα-helixtrans-70.5-33.8176.3-177.559-159.300111.7P523 K524 R525 R530 I531P523-E527 HydrophobicContact CB-CB 4.08Å; P523-E527 HydrophobicContact CB-CG 3.81Å; K524-E527 WeakPolarHBondContact O-CA 3.26Å; K524-E527 VanDerWaalsContact O-CB 3.27Å; K524-E527 WeakPolarHBondContact O-CB 3.15Å; K524-E527 PolarHBondContact O-N 2.94Å; R525-E527 PolarHBondContact O-N 3.06Å; E527-R530 VanDerWaalsContact CD-NE 3.32Å; E527-R530 PolarHBondContact O-N 2.88Å; E527-R530 IonicContact OE1-CZ 3.32Å; E527-R530 VanDerWaalsContact OE1-CZ 3.32Å; E527-R530 IonicContact OE1-NE 3.2Å; E527-R530 PolarHBondContact OE1-NE 3.46Å; E527-R530 IonicContact OE1-NH2 2.64Å; E527-R530 PolarHBondContact OE1-NH2 2.89Å; E527-R530 IonicContact OE2-CZ 3.61Å; E527-R530 IonicContact OE2-NE 2.78Å; E527-R530 PolarHBondContact OE2-NE 2.77Å; E527-R530 IonicContact OE2-NH2 3.62Å; E527-I531 HydrophobicContact CG-CD1 4.19Å; E527-I531 VanDerWaalsContact O-CG1 3.31Å; E527-I531 WeakPolarHBondContact O-CG1 3.44Å; E527-I531 PolarHBondContact O-N 2.83Å
528Q90.1Very high82.5Confident22 Ų2272.6 Ų72.610%0.10336%0.363CS..Hα-helixtrans-61.2-50.7175.3-58.4-169.2-1800111.4L511 I513 P523 K524 R525 R530 I531 M532L511-Q528 HydrophobicContact CD1-CB 4.22Å; I513-Q528 HydrophobicContact CD1-CB 3.32Å; I513-Q528 HydrophobicContact CD1-CG 3.71Å; I513-Q528 WeakPolarHBondContact CD1-O 3.48Å; I513-Q528 HydrophobicContact CG1-CB 4.47Å; P523-Q528 HydrophobicContact CG-CG 4.36Å; P523-Q528 PolarHBondContact O-NE2 3.3Å; P523-Q528 VanDerWaalsContact O-NE2 3.17Å; K524-Q528 WeakPolarHBondContact O-CG 3.32Å; K524-Q528 PolarHBondContact O-N 3.46Å; R525-Q528 WeakPolarHBondContact O-CA 3.49Å; R525-Q528 VanDerWaalsContact O-CB 3.26Å; R525-Q528 WeakPolarHBondContact O-CB 3.41Å; R525-Q528 PolarHBondContact O-N 2.86Å; Q528-R530 VanDerWaalsContact C-N 3.32Å; Q528-R530 PolarHBondContact O-N 3.38Å; Q528-I531 PolarHBondContact O-N 3.11Å; Q528-M532 PolarHBondContact O-N 3.44Å
529Y92.9Very high84.6Confident2 Ų268.2 Ų68.21%0.00834%0.335CS..Hα-helixtrans-66.5-34.3177.3-79.8-85.4000112.1M504 E505 D509 L511 R525 I531 M532 W533M504-Y529 VanDerWaalsContact C-OH 3.24Å; M504-Y529 HydrophobicContact CB-CE1 4.24Å; M504-Y529 PolarHBondContact O-OH 3.37Å; M504-Y529 VanDerWaalsContact O-OH 3.1Å; E505-Y529 VanDerWaalsContact CA-CE1 3.43Å; E505-Y529 HydrophobicContact CB-CD1 3.51Å; E505-Y529 HydrophobicContact CB-CD2 4.46Å; E505-Y529 HydrophobicContact CB-CE1 3.61Å; E505-Y529 HydrophobicContact CB-CG 3.99Å; E505-Y529 HydrophobicContact CG-CD1 3.75Å; E505-Y529 HydrophobicContact CG-CD2 4.15Å; E505-Y529 HydrophobicContact CG-CE1 4.27Å; E505-Y529 HydrophobicContact CG-CG 3.7Å; D509-Y529 PolarHBondContact N-OH 2.94Å; D509-Y529 WeakPolarHBondContact O-CE2 3.34Å; D509-Y529 PolarHBondContact O-OH 3.18Å; L511-Y529 HydrophobicContact CD1-CD1 3.86Å; L511-Y529 HydrophobicContact CD1-CD2 4.09Å; L511-Y529 HydrophobicContact CD1-CE1 3.9Å; L511-Y529 HydrophobicContact CD1-CE2 4.12Å; L511-Y529 HydrophobicContact CD1-CG 3.94Å; L511-Y529 HydrophobicContact CD2-CE1 3.96Å; L511-Y529 HydrophobicContact CG-CD2 4.49Å; L511-Y529 HydrophobicContact CG-CE1 4.16Å; L511-Y529 HydrophobicContact CG-CE2 4.06Å; R525-Y529 WeakPolarHBondContact O-CD2 3.33Å; R525-Y529 PolarHBondContact O-N 3.16Å; Y529-I531 PolarHBondContact O-N 3.44Å; Y529-M532 HydrophobicContact CD1-CE 3.68Å; Y529-M532 HydrophobicContact CE1-CE 4.21Å; Y529-M532 PolarHBondContact O-N 3.43Å; Y529-W533 WeakPolarHBondContact O-CB 3.49Å; Y529-W533 PolarHBondContact O-N 3.07Å
530R91.9Very high87.3Confident112 Ų11255.6 Ų55.642%0.42329%0.288SS..Hα-helixtrans-59-46.7172.7-167-173.575.786.62.8112.2D526 E527 Q528 N534D526-R530 WeakPolarHBondContact O-CB 3.38Å; D526-R530 PolarHBondContact O-N 2.88Å; E527-R530 VanDerWaalsContact CD-NE 3.32Å; E527-R530 PolarHBondContact O-N 2.88Å; E527-R530 IonicContact OE1-CZ 3.32Å; E527-R530 VanDerWaalsContact OE1-CZ 3.32Å; E527-R530 IonicContact OE1-NE 3.2Å; E527-R530 PolarHBondContact OE1-NE 3.46Å; E527-R530 IonicContact OE1-NH2 2.64Å; E527-R530 PolarHBondContact OE1-NH2 2.89Å; E527-R530 IonicContact OE2-CZ 3.61Å; E527-R530 IonicContact OE2-NE 2.78Å; E527-R530 PolarHBondContact OE2-NE 2.77Å; E527-R530 IonicContact OE2-NH2 3.62Å; Q528-R530 VanDerWaalsContact C-N 3.32Å; Q528-R530 PolarHBondContact O-N 3.38Å; R530-N534 WeakPolarHBondContact O-CB 3.43Å; R530-N534 PolarHBondContact O-N 3.36Å; R530-N534 VanDerWaalsContact O-N 3.1Å; R530-N534 PolarHBondContact O-ND2 3.5Å
531I91.3Very high89.1Confident57 Ų5757.9 Ų57.929%0.29228%0.277SS..Hα-helixtrans-63.3-47.6177.3-67.2165.2000110.4I513 E527 Q528 Y529 W533 N534 E535I513-I531 HydrophobicContact CD1-CB 4.49Å; E527-I531 HydrophobicContact CG-CD1 4.19Å; E527-I531 VanDerWaalsContact O-CG1 3.31Å; E527-I531 WeakPolarHBondContact O-CG1 3.44Å; E527-I531 PolarHBondContact O-N 2.83Å; Q528-I531 PolarHBondContact O-N 3.11Å; Y529-I531 PolarHBondContact O-N 3.44Å; I531-W533 PolarHBondContact O-N 3.19Å; I531-N534 PolarHBondContact O-N 3.49Å; I531-E535 WeakPolarHBondContact O-CB 3.47Å; I531-E535 PolarHBondContact O-N 3.05Å
532M95.2Very high90.9Very high0 Ų047.9 Ų47.90%024%0.235CC..Hα-helixtrans-58.6-47.5178.7-177.9-76.9-65.800112.2T467 I468 M471 L501 L511 Q528 Y529 N534 E535 L536T467-M532 HydrophobicContact CG2-CB 4.22Å; T467-M532 HydrophobicContact CG2-CG 4.31Å; I468-M532 HydrophobicContact CG2-CG 3.96Å; I468-M532 HydrophobicContact CG2-SD 4.29Å; M471-M532 HydrophobicContact CE-CG 4.42Å; M471-M532 HydrophobicContact SD-CG 3.85Å; L501-M532 HydrophobicContact CB-CE 4.33Å; L501-M532 HydrophobicContact CD1-SD 4.13Å; L501-M532 HydrophobicContact CD2-CE 4.33Å; L501-M532 HydrophobicContact CD2-SD 4.33Å; L511-M532 HydrophobicContact CD1-CB 3.69Å; L511-M532 HydrophobicContact CD1-CG 4Å; Q528-M532 PolarHBondContact O-N 3.44Å; Y529-M532 HydrophobicContact CD1-CE 3.68Å; Y529-M532 HydrophobicContact CE1-CE 4.21Å; Y529-M532 PolarHBondContact O-N 3.43Å; M532-N534 PolarHBondContact O-N 3.19Å; M532-E535 WeakPolarHBondContact O-CB 3.46Å; M532-E535 PolarHBondContact O-N 3.5Å; M532-L536 PolarHBondContact O-N 3.15Å
533W95.9Very high92.4Very high1 Ų146.1 Ų46.10%0.00422%0.217CC..Hα-helixtrans-64.6-39.3178.7-77.7125.1000112.9I498 L501 V502 E505 Y529 I531 E535 L536 E537 L557 R561I498-W533 HydrophobicContact CG2-CH2 4.1Å; I498-W533 HydrophobicContact CG2-CZ3 4.29Å; L501-W533 HydrophobicContact CB-CH2 3.56Å; L501-W533 HydrophobicContact CB-CZ2 3.79Å; L501-W533 HydrophobicContact CB-CZ3 4.37Å; L501-W533 HydrophobicContact CD1-CH2 4.12Å; L501-W533 HydrophobicContact CD1-CZ3 4.11Å; V502-W533 HydrophobicContact CG2-CH2 4.21Å; V502-W533 HydrophobicContact CG2-CZ2 4.02Å; E505-W533 PolarHBondContact OE2-NE1 2.8Å; Y529-W533 WeakPolarHBondContact O-CB 3.49Å; Y529-W533 PolarHBondContact O-N 3.07Å; I531-W533 PolarHBondContact O-N 3.19Å; W533-E535 VanDerWaalsContact C-N 3.31Å; W533-L536 HydrophobicContact CE3-CD2 4.01Å; W533-L536 HydrophobicContact CZ3-CD2 3.78Å; W533-L536 PolarHBondContact O-N 2.97Å; W533-E537 VanDerWaalsContact O-CB 3.31Å; W533-E537 WeakPolarHBondContact O-CB 3.47Å; W533-E537 PolarHBondContact O-N 2.89Å; W533-L557 HydrophobicContact CE3-CG 4.3Å; W533-L557 HydrophobicContact CZ3-CG 4.23Å; W533-R561 HydrophobicContact CD2-CB 4Å; W533-R561 HydrophobicContact CE3-CB 4.34Å; W533-R561 HydrophobicContact CG-CB 4.07Å
534N94.8Very high93.4Very high51 Ų5145.7 Ų45.727%0.27321%0.212SC..Hα-helixtrans-64.1-39.2175.2-71.3-21000111.6R530 I531 M532 T538 R561R530-N534 WeakPolarHBondContact O-CB 3.43Å; R530-N534 PolarHBondContact O-N 3.36Å; R530-N534 VanDerWaalsContact O-N 3.1Å; R530-N534 PolarHBondContact O-ND2 3.5Å; I531-N534 PolarHBondContact O-N 3.49Å; M532-N534 PolarHBondContact O-N 3.19Å; N534-T538 WeakPolarHBondContact O-CB 3.26Å; N534-T538 PolarHBondContact O-N 2.75Å; N534-T538 PolarHBondContact O-OG1 2.71Å; N534-R561 PolarHBondContact OD1-NH2 3.48Å
535E96Very high93.7Very high15 Ų1544.7 Ų44.77%0.0721%0.214CC..Hα-helixtrans-66.7-46.2177.3-160.8-171.3175.100111.3Y458 T466 T467 I468 I531 M532 W533 E537 T538 L539Y458-E535 HydrophobicContact CE1-CG 3.9Å; Y458-E535 VanDerWaalsContact OH-CD 3.23Å; Y458-E535 WeakPolarHBondContact OH-CG 3.5Å; Y458-E535 PolarHBondContact OH-OE1 3.27Å; T466-E535 VanDerWaalsContact CA-OE1 3.24Å; T466-E535 WeakPolarHBondContact CA-OE1 3.29Å; T466-E535 WeakPolarHBondContact CB-OE1 3.39Å; T466-E535 PolarHBondContact OG1-OE1 3.01Å; T467-E535 WeakPolarHBondContact CA-OE2 3.38Å; T467-E535 VanDerWaalsContact CB-OE2 3.31Å; T467-E535 WeakPolarHBondContact CB-OE2 3.41Å; T467-E535 PolarHBondContact N-OE2 3.4Å; I468-E535 HydrophobicContact CD1-CB 4.41Å; I468-E535 HydrophobicContact CD1-CG 3.92Å; I468-E535 HydrophobicContact CG1-CG 4.06Å; I468-E535 HydrophobicContact CG2-CB 3.98Å; I468-E535 HydrophobicContact CG2-CG 4.3Å; I468-E535 PolarHBondContact N-OE2 3.19Å; I531-E535 WeakPolarHBondContact O-CB 3.47Å; I531-E535 PolarHBondContact O-N 3.05Å; M532-E535 WeakPolarHBondContact O-CB 3.46Å; M532-E535 PolarHBondContact O-N 3.5Å; W533-E535 VanDerWaalsContact C-N 3.31Å; E535-E537 VanDerWaalsContact C-N 3.33Å; E535-E537 PolarHBondContact O-N 3.04Å; E535-T538 WeakPolarHBondContact O-CB 3.34Å; E535-T538 PolarHBondContact O-N 2.9Å; E535-T538 VanDerWaalsContact O-N 3.12Å; E535-L539 PolarHBondContact O-N 3.16Å
536L96.7Very high93.9Very high0 Ų042.4 Ų42.40%021%0.208CC..Hα-helixtrans-63-40.9177.3-17164.1000111.7I468 V474 L477 L501 M532 W533 T538 L539 V540 L557I468-L536 HydrophobicContact CD1-CD1 4.28Å; I468-L536 HydrophobicContact CG2-CB 4.1Å; V474-L536 HydrophobicContact CG1-CD1 3.82Å; L477-L536 HydrophobicContact CD1-CD1 4.36Å; L477-L536 HydrophobicContact CD2-CD1 3.9Å; L501-L536 HydrophobicContact CD1-CD2 3.54Å; M532-L536 PolarHBondContact O-N 3.15Å; W533-L536 HydrophobicContact CE3-CD2 4.01Å; W533-L536 HydrophobicContact CZ3-CD2 3.78Å; W533-L536 PolarHBondContact O-N 2.97Å; L536-T538 VanDerWaalsContact C-N 3.31Å; L536-T538 PolarHBondContact O-N 2.7Å; L536-L539 HydrophobicContact CD1-CD2 4.49Å; L536-L539 PolarHBondContact O-N 3.42Å; L536-V540 WeakPolarHBondContact O-CG2 3.49Å; L536-V540 PolarHBondContact O-N 2.86Å; L536-L557 HydrophobicContact CB-CD1 4.24Å; L536-L557 HydrophobicContact CD2-CD1 3.79Å; L536-L557 HydrophobicContact CG-CD1 3.67Å
537E96.4Very high94.2Very high29 Ų2938.1 Ų38.114%0.13619%0.188CC..Hα-helixtrans-60.1-42.6173-177.1-174-172.800111.1W533 E535 L539 V540 R541 L554 L557 M558 R561W533-E537 VanDerWaalsContact O-CB 3.31Å; W533-E537 WeakPolarHBondContact O-CB 3.47Å; W533-E537 PolarHBondContact O-N 2.89Å; E535-E537 VanDerWaalsContact C-N 3.33Å; E535-E537 PolarHBondContact O-N 3.04Å; E537-L539 VanDerWaalsContact C-N 3.34Å; E537-L539 PolarHBondContact O-N 2.81Å; E537-V540 PolarHBondContact O-N 2.8Å; E537-R541 HydrophobicContact CG-CG 4.12Å; E537-R541 VanDerWaalsContact O-CB 3.28Å; E537-R541 WeakPolarHBondContact O-CB 3.41Å; E537-R541 VanDerWaalsContact O-CG 3.31Å; E537-R541 WeakPolarHBondContact O-CG 3.49Å; E537-R541 PolarHBondContact O-N 3.09Å; E537-R541 IonicContact OE1-CZ 3.18Å; E537-R541 IonicContact OE1-NE 2.73Å; E537-R541 PolarHBondContact OE1-NE 3.05Å; E537-R541 IonicContact OE1-NH2 2.76Å; E537-R541 PolarHBondContact OE1-NH2 3.01Å; E537-L554 HydrophobicContact CG-CD1 4.25Å; E537-L557 HydrophobicContact CB-CD2 4.06Å; E537-L557 HydrophobicContact CG-CD2 4.45Å; E537-M558 HydrophobicContact CG-SD 4.31Å; E537-R561 IonicContact OE2-CZ 3.79Å; E537-R561 IonicContact OE2-NH1 2.58Å; E537-R561 PolarHBondContact OE2-NH1 2.87Å
538T96.1Very high94.5Very high73 Ų7341 Ų4145%0.44820%0.202SC..Hα-helixtrans-59.5-45.7177.8-59.70000111.2Y458 N534 E535 L536 A542Y458-T538 HydrophobicContact CD2-CG2 3.85Å; Y458-T538 HydrophobicContact CE2-CG2 3.98Å; N534-T538 WeakPolarHBondContact O-CB 3.26Å; N534-T538 PolarHBondContact O-N 2.75Å; N534-T538 PolarHBondContact O-OG1 2.71Å; E535-T538 WeakPolarHBondContact O-CB 3.34Å; E535-T538 PolarHBondContact O-N 2.9Å; E535-T538 VanDerWaalsContact O-N 3.12Å; L536-T538 VanDerWaalsContact C-N 3.31Å; L536-T538 PolarHBondContact O-N 2.7Å; T538-A542 PolarHBondContact O-N 3.07Å
539L96.3Very high94.8Very high2 Ų242.2 Ų42.21%0.0121%0.206CC..Hα-helixtrans-58.5-54.2174.2173.461.9000111.2Y458 I468 F469 L477 A478 I481 E535 L536 E537 R541 A542 H543Y458-L539 HydrophobicContact CD1-CB 3.95Å; Y458-L539 HydrophobicContact CD1-CD1 4.17Å; Y458-L539 HydrophobicContact CG-CB 4.49Å; I468-L539 HydrophobicContact CD1-CB 4.05Å; I468-L539 HydrophobicContact CD1-CD2 3.9Å; F469-L539 HydrophobicContact CZ-CD1 4.36Å; F469-L539 HydrophobicContact CZ-CD2 4.23Å; L477-L539 HydrophobicContact CD2-CD2 4.44Å; A478-L539 HydrophobicContact CB-CD2 4.02Å; I481-L539 HydrophobicContact CG2-CD1 4.17Å; I481-L539 HydrophobicContact CG2-CD2 4.1Å; I481-L539 HydrophobicContact CG2-CG 3.99Å; E535-L539 PolarHBondContact O-N 3.16Å; L536-L539 HydrophobicContact CD1-CD2 4.49Å; L536-L539 PolarHBondContact O-N 3.42Å; E537-L539 VanDerWaalsContact C-N 3.34Å; E537-L539 PolarHBondContact O-N 2.81Å; L539-R541 PolarHBondContact O-N 3.42Å; L539-A542 WeakPolarHBondContact O-CB 3.22Å; L539-A542 PolarHBondContact O-N 3.34Å; L539-A542 VanDerWaalsContact O-N 3.13Å; L539-H543 PolarHBondContact O-CD2 3.47Å; L539-H543 VanDerWaalsContact O-CD2 3.29Å
540V97Very high95.1Very high0 Ų042.1 Ų42.10%021%0.206CC..Hα-helixtrans-62-43.4-176.9175.80000111.5L477 I481 L536 E537 A542 H543 I544 V553 L554 L557L477-V540 HydrophobicContact CD2-CG2 4.22Å; I481-V540 HydrophobicContact CD1-CG1 4.44Å; I481-V540 HydrophobicContact CG1-CG2 4.27Å; L536-V540 WeakPolarHBondContact O-CG2 3.49Å; L536-V540 PolarHBondContact O-N 2.86Å; E537-V540 PolarHBondContact O-N 2.8Å; V540-A542 PolarHBondContact O-N 2.68Å; V540-H543 PolarHBondContact O-N 2.76Å; V540-I544 HydrophobicContact CG1-CG2 4.45Å; V540-I544 PolarHBondContact O-N 2.91Å; V540-V553 HydrophobicContact CG1-CG1 4.33Å; V540-L554 HydrophobicContact CG1-CB 3.83Å; V540-L554 HydrophobicContact CG1-CD1 4.15Å; V540-L557 HydrophobicContact CG2-CD1 3.97Å
541R96.1Very high95.3Very high112 Ų11239.8 Ų39.842%0.42320%0.2SC..Hα-helixtrans-61.3-26177.5-77.4-172.5-178.5-74.5-3.6113.4E537 L539 H543 L554E537-R541 HydrophobicContact CG-CG 4.12Å; E537-R541 VanDerWaalsContact O-CB 3.28Å; E537-R541 WeakPolarHBondContact O-CB 3.41Å; E537-R541 VanDerWaalsContact O-CG 3.31Å; E537-R541 WeakPolarHBondContact O-CG 3.49Å; E537-R541 PolarHBondContact O-N 3.09Å; E537-R541 IonicContact OE1-CZ 3.18Å; E537-R541 IonicContact OE1-NE 2.73Å; E537-R541 PolarHBondContact OE1-NE 3.05Å; E537-R541 IonicContact OE1-NH2 2.76Å; E537-R541 PolarHBondContact OE1-NH2 3.01Å; L539-R541 PolarHBondContact O-N 3.42Å; R541-H543 PolarHBondContact O-N 3.12Å; R541-L554 HydrophobicContact CG-CD1 4.1Å; R541-L554 HydrophobicContact CG-CD2 4.16Å
542A94.5Very high95.5Very high7 Ų741.7 Ų41.76%0.05820%0.204CC..THydrogen-bonded Turntrans-67-14175.200000113.5R457 T538 L539 V540 P650R457-A542 HydrophobicContact CB-CB 3.99Å; R457-A542 VanDerWaalsContact CD-O 3.26Å; R457-A542 WeakPolarHBondContact CD-O 3.36Å; R457-A542 PolarHBondContact NH1-O 2.86Å; T538-A542 PolarHBondContact O-N 3.07Å; L539-A542 WeakPolarHBondContact O-CB 3.22Å; L539-A542 PolarHBondContact O-N 3.34Å; L539-A542 VanDerWaalsContact O-N 3.13Å; V540-A542 PolarHBondContact O-N 2.68Å; A542-P650 HydrophobicContact CB-CG 3.66Å
543H96.2Very high95.6Very high1 Ų141.7 Ų41.71%0.00520%0.204CC..THydrogen-bonded Turntrans-125.40.4-172.6-63.1-73000114.8K454 I481 L539 V540 R541 N545 N546 H550K454-H543 PolarHBondContact O-CE1 3.14Å; I481-H543 VanDerWaalsContact O-CB 3.25Å; I481-H543 WeakPolarHBondContact O-CB 3.05Å; I481-H543 VanDerWaalsContact O-CG 3.26Å; L539-H543 PolarHBondContact O-CD2 3.47Å; L539-H543 VanDerWaalsContact O-CD2 3.29Å; V540-H543 PolarHBondContact O-N 2.76Å; R541-H543 PolarHBondContact O-N 3.12Å; H543-N545 PolarHBondContact O-N 3.37Å; H543-N545 VanDerWaalsContact O-N 3.15Å; H543-N546 WeakPolarHBondContact O-CB 3.46Å; H543-N546 PolarHBondContact O-N 3.47Å; H543-H550 WeakPolarHBondContact O-CB 3.43Å; H543-H550 PolarHBondContact O-CD2 3.19Å
544I94.6Very high95.6Very high35 Ų3542 Ų4218%0.17921%0.205CC..G310 helixtrans-59-31.5-177.858.1178.1000114V540 N546 L554V540-I544 HydrophobicContact CG1-CG2 4.45Å; V540-I544 PolarHBondContact O-N 2.91Å; I544-N546 PolarHBondContact O-N 3.04Å; I544-L554 HydrophobicContact CD1-CD2 4.48Å; I544-L554 HydrophobicContact CG2-CB 4.05Å; I544-L554 HydrophobicContact CG2-CD2 3.79Å; I544-L554 HydrophobicContact CG2-CG 4.48Å
545N92.4Very high95.7Very high145 Ų14544.6 Ų44.678%0.77522%0.216SC*.G310 helixtrans-74.4-5.6179.6-63.6-22.7000113H543H543-N545 PolarHBondContact O-N 3.37Å; H543-N545 VanDerWaalsContact O-N 3.15Å
546N91.2Very high95.6Very high37 Ų3744.6 Ų44.620%0.19822%0.217CC..G310 helixtrans-73.9-41-178.6-69.68.6000111.8R457 K483 H543 I544 H550R457-N546 PolarHBondContact NH1-OD1 3.32Å; R457-N546 VanDerWaalsContact NH1-OD1 3.12Å; K483-N546 PolarHBondContact O-ND2 3.09Å; H543-N546 WeakPolarHBondContact O-CB 3.46Å; H543-N546 PolarHBondContact O-N 3.47Å; I544-N546 PolarHBondContact O-N 3.04Å; N546-H550 VanDerWaalsContact CB-CE1 3.49Å; N546-H550 WeakPolarHBondContact CB-CE1 3.4Å
547S93.7Very high95.6Very high34 Ų3444.6 Ų44.624%0.23822%0.217CC..  trans-168.8163.3172.553.30000112.5K549 H550 Q551S547-K549 PolarHBondContact O-N 2.96Å; S547-H550 PolarHBondContact N-ND1 2.92Å; S547-H550 WeakPolarHBondContact O-CB 3.16Å; S547-H550 PolarHBondContact O-N 3.32Å; S547-H550 PolarHBondContact OG-CE1 2.98Å; S547-H550 PolarHBondContact OG-ND1 3.32Å; S547-Q551 PolarHBondContact O-N 2.79Å
548E95.4Very high95.5Very high127 Ų12747 Ų4759%0.59323%0.229SC*.Hα-helixtrans-52.9-29176.7-169.459.4-155.500113.8Q551 R552E548-Q551 WeakPolarHBondContact O-CB 3.44Å; E548-Q551 PolarHBondContact O-N 3.18Å; E548-R552 PolarHBondContact O-N 3.1Å
549K97.3Very high95.3Very high46 Ų4647.7 Ų47.720%0.224%0.242CC..Hα-helixtrans-68-34.5175.8-73.7177.3-172.7-163.40112.8L486 E488 V491 S547 Q551 R552 V553L486-K549 HydrophobicContact CB-CB 3.92Å; L486-K549 HydrophobicContact CB-CD 4.06Å; L486-K549 HydrophobicContact CD1-CB 4.14Å; L486-K549 HydrophobicContact CG-CB 4.38Å; L486-K549 WeakPolarHBondContact O-CD 3.38Å; L486-K549 WeakPolarHBondContact O-CE 3.48Å; L486-K549 PolarHBondContact O-NZ 2.87Å; E488-K549 WeakPolarHBondContact OE1-CE 3.36Å; E488-K549 IonicContact OE1-NZ 3.22Å; E488-K549 PolarHBondContact OE1-NZ 3.16Å; V491-K549 HydrophobicContact CG2-CB 3.86Å; V491-K549 HydrophobicContact CG2-CD 4Å; V491-K549 HydrophobicContact CG2-CG 4.05Å; S547-K549 PolarHBondContact O-N 2.96Å; K549-Q551 VanDerWaalsContact C-N 3.3Å; K549-R552 PolarHBondContact O-N 3.33Å; K549-V553 WeakPolarHBondContact O-CG2 3.25Å; K549-V553 PolarHBondContact O-N 3.22Å; K549-V553 VanDerWaalsContact O-N 3.09Å
550H97.6Very high94.9Very high0 Ų049.2 Ų49.20%025%0.253CS..Hα-helixtrans-66.4-38174.2-64.881.6000110.7I481 K483 H543 N546 S547 V553 L554I481-H550 PolarHBondContact O-CD2 3.05Å; I481-H550 PolarHBondContact O-NE2 2.59Å; K483-H550 PolarHBondContact O-CE1 2.75Å; K483-H550 PolarHBondContact O-NE2 3.16Å; H543-H550 WeakPolarHBondContact O-CB 3.43Å; H543-H550 PolarHBondContact O-CD2 3.19Å; N546-H550 VanDerWaalsContact CB-CE1 3.49Å; N546-H550 WeakPolarHBondContact CB-CE1 3.4Å; S547-H550 PolarHBondContact N-ND1 2.92Å; S547-H550 WeakPolarHBondContact O-CB 3.16Å; S547-H550 PolarHBondContact O-N 3.32Å; S547-H550 PolarHBondContact OG-CE1 2.98Å; S547-H550 PolarHBondContact OG-ND1 3.32Å; H550-V553 PolarHBondContact O-N 3.03Å; H550-L554 PolarHBondContact O-N 3.44Å
551Q96.3Very high94.2Very high63 Ų6350.6 Ų50.629%0.29426%0.258SS..Hα-helixtrans-61-44.9174.1-17360.725.800111.6S547 E548 K549 V553 L554 E555S547-Q551 PolarHBondContact O-N 2.79Å; E548-Q551 WeakPolarHBondContact O-CB 3.44Å; E548-Q551 PolarHBondContact O-N 3.18Å; K549-Q551 VanDerWaalsContact C-N 3.3Å; Q551-V553 VanDerWaalsContact C-N 3.31Å; Q551-V553 PolarHBondContact O-N 2.93Å; Q551-L554 WeakPolarHBondContact O-CB 3.46Å; Q551-L554 PolarHBondContact O-N 2.93Å; Q551-L554 VanDerWaalsContact O-N 3.11Å; Q551-E555 WeakPolarHBondContact O-CG 3.43Å; Q551-E555 PolarHBondContact O-N 2.86Å
552R95.5Very high92.8Very high98 Ų9848.1 Ų48.137%0.3726%0.258SS..Hα-helixtrans-60.2-36.4173.8-73.7-171.8-83.9160.3-13.9113.7E548 K549 E555 C556E548-R552 PolarHBondContact O-N 3.1Å; K549-R552 PolarHBondContact O-N 3.33Å; R552-E555 PolarHBondContact O-N 2.96Å; R552-C556 PolarHBondContact O-N 3.33Å
553V97.3Very high91.2Very high0 Ų054.7 Ų54.70%029%0.285CS..Hα-helixtrans-65.5-41174.21730000110.8I481 L486 V491 C494 I498 V540 K549 H550 Q551 C556 L557I481-V553 HydrophobicContact CD1-CB 4.31Å; I481-V553 HydrophobicContact CD1-CG1 3.97Å; L486-V553 HydrophobicContact CD1-CG2 4.11Å; V491-V553 HydrophobicContact CG1-CG2 4.48Å; C494-V553 HydrophobicContact CB-CG1 3.82Å; C494-V553 HydrophobicContact CB-CG2 3.78Å; I498-V553 HydrophobicContact CD1-CG1 4.23Å; V540-V553 HydrophobicContact CG1-CG1 4.33Å; K549-V553 WeakPolarHBondContact O-CG2 3.25Å; K549-V553 PolarHBondContact O-N 3.22Å; K549-V553 VanDerWaalsContact O-N 3.09Å; H550-V553 PolarHBondContact O-N 3.03Å; Q551-V553 VanDerWaalsContact C-N 3.31Å; Q551-V553 PolarHBondContact O-N 2.93Å; V553-C556 PolarHBondContact O-N 3.34Å; V553-L557 PolarHBondContact O-N 3.04Å
554L96.7Very high89.2Confident7 Ų757.7 Ų57.74%0.03731%0.305CS..Hα-helixtrans-62.1-44.8174.3179.763.1000111.6E537 V540 R541 I544 H550 Q551 C556 L557 M558E537-L554 HydrophobicContact CG-CD1 4.25Å; V540-L554 HydrophobicContact CG1-CB 3.83Å; V540-L554 HydrophobicContact CG1-CD1 4.15Å; R541-L554 HydrophobicContact CG-CD1 4.1Å; R541-L554 HydrophobicContact CG-CD2 4.16Å; I544-L554 HydrophobicContact CD1-CD2 4.48Å; I544-L554 HydrophobicContact CG2-CB 4.05Å; I544-L554 HydrophobicContact CG2-CD2 3.79Å; I544-L554 HydrophobicContact CG2-CG 4.48Å; H550-L554 PolarHBondContact O-N 3.44Å; Q551-L554 WeakPolarHBondContact O-CB 3.46Å; Q551-L554 PolarHBondContact O-N 2.93Å; Q551-L554 VanDerWaalsContact O-N 3.11Å; L554-C556 VanDerWaalsContact C-N 3.31Å; L554-C556 PolarHBondContact O-N 3.08Å; L554-L557 WeakPolarHBondContact O-CB 3.32Å; L554-L557 PolarHBondContact O-N 3.14Å; L554-L557 VanDerWaalsContact O-N 3.12Å; L554-M558 HydrophobicContact CD1-CG 4.02Å; L554-M558 HydrophobicContact CD1-SD 4.38Å; L554-M558 HydrophobicContact CG-CG 4.23Å; L554-M558 VanDerWaalsContact O-CG 3.3Å; L554-M558 WeakPolarHBondContact O-CG 3.3Å; L554-M558 PolarHBondContact O-N 2.87Å
555E95.9Very high87Confident106 Ų10660.4 Ų60.450%0.49532%0.324SS..Hα-helixtrans-58.3-44177.2-71.7171.4-176.400111.9Q551 R552 L557 M558 A559Q551-E555 WeakPolarHBondContact O-CG 3.43Å; Q551-E555 PolarHBondContact O-N 2.86Å; R552-E555 PolarHBondContact O-N 2.96Å; E555-L557 VanDerWaalsContact C-N 3.34Å; E555-L557 PolarHBondContact O-N 2.97Å; E555-M558 PolarHBondContact O-N 3.29Å; E555-A559 WeakPolarHBondContact O-CB 3.42Å; E555-A559 PolarHBondContact O-N 3.44Å
556C95.8Very high85.1Confident15 Ų1560.9 Ų60.910%0.10132%0.322CS..Hα-helixtrans-59.7-44.1174.2-173.30000111.7Q495 I498 R552 V553 L554 A559 C560Q495-C556 HydrophobicContact CG-CB 4.44Å; I498-C556 HydrophobicContact CD1-CB 4.13Å; R552-C556 PolarHBondContact O-N 3.33Å; V553-C556 PolarHBondContact O-N 3.34Å; L554-C556 VanDerWaalsContact C-N 3.31Å; L554-C556 PolarHBondContact O-N 3.08Å; C556-A559 PolarHBondContact O-N 3.46Å; C556-C560 WeakPolarHBondContact O-CB 3.25Å; C556-C560 PolarHBondContact O-N 2.97Å; C556-C560 VanDerWaalsContact O-N 3.14Å; C556-C560 PolarHBondContact O-SG 2.8Å
557L95.9Very high83.1Confident0 Ų064.2 Ų64.20%034%0.337CS..Hα-helixtrans-61.6-46.6178.5-175.3156.6000111I498 W533 L536 E537 V540 V553 L554 E555 A559 C560 R561I498-L557 HydrophobicContact CD1-CB 3.95Å; W533-L557 HydrophobicContact CE3-CG 4.3Å; W533-L557 HydrophobicContact CZ3-CG 4.23Å; L536-L557 HydrophobicContact CB-CD1 4.24Å; L536-L557 HydrophobicContact CD2-CD1 3.79Å; L536-L557 HydrophobicContact CG-CD1 3.67Å; E537-L557 HydrophobicContact CB-CD2 4.06Å; E537-L557 HydrophobicContact CG-CD2 4.45Å; V540-L557 HydrophobicContact CG2-CD1 3.97Å; V553-L557 PolarHBondContact O-N 3.04Å; L554-L557 WeakPolarHBondContact O-CB 3.32Å; L554-L557 PolarHBondContact O-N 3.14Å; L554-L557 VanDerWaalsContact O-N 3.12Å; E555-L557 VanDerWaalsContact C-N 3.34Å; E555-L557 PolarHBondContact O-N 2.97Å; L557-A559 VanDerWaalsContact C-N 3.32Å; L557-A559 PolarHBondContact O-N 3.04Å; L557-C560 PolarHBondContact O-N 2.95Å; L557-R561 PolarHBondContact O-N 3.03Å; L557-R561 VanDerWaalsContact O-N 3.07Å
558M93.4Very high80.9Confident80 Ų8068.2 Ų68.239%0.39435%0.352SS..Hα-helixtrans-67.6-31.5-178.5-65.5-55.7-69.900112.8E537 L554 E555E537-M558 HydrophobicContact CG-SD 4.31Å; L554-M558 HydrophobicContact CD1-CG 4.02Å; L554-M558 HydrophobicContact CD1-SD 4.38Å; L554-M558 HydrophobicContact CG-CG 4.23Å; L554-M558 VanDerWaalsContact O-CG 3.3Å; L554-M558 WeakPolarHBondContact O-CG 3.3Å; L554-M558 PolarHBondContact O-N 2.87Å; E555-M558 PolarHBondContact O-N 3.29Å
559A92.2Very high78.8Confident87 Ų8768.1 Ų68.172%0.71935%0.351SS*.Hα-helixtrans-72.9-30.4174.900000113.1E555 C556 L557E555-A559 WeakPolarHBondContact O-CB 3.42Å; E555-A559 PolarHBondContact O-N 3.44Å; C556-A559 PolarHBondContact O-N 3.46Å; L557-A559 VanDerWaalsContact C-N 3.32Å; L557-A559 PolarHBondContact O-N 3.04Å
560C89Confident76.7Confident34 Ų3475.6 Ų75.623%0.2338%0.378CS..Hα-helixtrans-89.4-30.2-174.2-76.50000114.4I498 Y499 V502 C556 L557I498-C560 HydrophobicContact CG2-CB 3.55Å; Y499-C560 VanDerWaalsContact CE1-SG 3.55Å; V502-C560 HydrophobicContact CG2-CB 3.68Å; C556-C560 WeakPolarHBondContact O-CB 3.25Å; C556-C560 PolarHBondContact O-N 2.97Å; C556-C560 VanDerWaalsContact O-N 3.14Å; C556-C560 PolarHBondContact O-SG 2.8Å; L557-C560 PolarHBondContact O-N 2.95Å
561R81.8Confident74.5Confident28 Ų2882.8 Ų82.811%0.10641%0.409CS..SBendtrans-70.7148.5-178.467.9177.7-64.8177.76.3112.6W533 N534 E537 L557 K563W533-R561 HydrophobicContact CD2-CB 4Å; W533-R561 HydrophobicContact CE3-CB 4.34Å; W533-R561 HydrophobicContact CG-CB 4.07Å; N534-R561 PolarHBondContact OD1-NH2 3.48Å; E537-R561 IonicContact OE2-CZ 3.79Å; E537-R561 IonicContact OE2-NH1 2.58Å; E537-R561 PolarHBondContact OE2-NH1 2.87Å; L557-R561 PolarHBondContact O-N 3.03Å; L557-R561 VanDerWaalsContact O-N 3.07Å; R561-K563 PolarHBondContact O-N 2.95Å
562S66.8Low72.4Confident60 Ų6086.8 Ų86.842%0.4243%0.426SS..PPolyproline II helixtrans-59.3133.8170.936.90000110.8E505E505-S562 PolarHBondContact OE1-OG 2.51Å
563K59.9Low70.3Confident145 Ų14591.3 Ų91.363%0.6344%0.443SS*.PPolyproline II helixtrans-65.2142-174.4-72.2-170.3178.5-171.60111.5R561R561-K563 PolarHBondContact O-N 2.95Å
564P54.1Low67.9Low65 Ų6593.1 Ų93.142%0.42246%0.461SS..PPolyproline II helixtrans-58.6136.1175.2-18.929.5000111.1E566 E567P564-E566 PolarHBondContact O-N 2.86Å; P564-E566 VanDerWaalsContact O-N 3.11Å; P564-E567 PolarHBondContact O-N 3.14Å; P564-E567 VanDerWaalsContact O-N 3.07Å
565P49.1Very low65.8Low91 Ų91102.6 Ų102.659%0.59150%0.496SS*.Hα-helixtrans-60.3-23.9-177.517.8-28.7000114.2E567 E568 E569P565-E567 VanDerWaalsContact C-N 3.26Å; P565-E567 PolarHBondContact O-N 3.18Å; P565-E568 PolarHBondContact O-N 3Å; P565-E569 PolarHBondContact O-N 3.1Å; P565-E569 VanDerWaalsContact O-N 3.1Å
566E51.3Low63.2Low156 Ų156106.3 Ų106.373%0.72951%0.511SS*.Hα-helixtrans-63.1-29.2175.6-69.7-170.3157.400113.5P564 R570P564-E566 PolarHBondContact O-N 2.86Å; P564-E566 VanDerWaalsContact O-N 3.11Å; E566-R570 PolarHBondContact O-N 2.6Å
567E50.9Low60.8Low107 Ų107114.3 Ų114.350%0.554%0.539SS..Hα-helixtrans-78.8-30.9179.1-120.7-171.8-176.100112.3P564 P565 K571P564-E567 PolarHBondContact O-N 3.14Å; P564-E567 VanDerWaalsContact O-N 3.07Å; P565-E567 VanDerWaalsContact C-N 3.26Å; P565-E567 PolarHBondContact O-N 3.18Å; E567-K571 PolarHBondContact O-N 3.47Å
568E47.7Very low58.4Low118 Ų118121.9 Ų121.955%0.55157%0.574SS**Hα-helixtrans-71.2-38.7171.3-84.6-153148.200112.1P565 K571 K572P565-E568 PolarHBondContact O-N 3Å; E568-K571 PolarHBondContact O-N 2.74Å; E568-K572 PolarHBondContact O-N 3.07Å
569E49.4Very low56Low124 Ų124125.5 Ų125.558%0.57960%0.595SS**Hα-helixtrans-67.4-37.7177.1-76.9-153.5154.900112.6P565 K571 K572 R573P565-E569 PolarHBondContact O-N 3.1Å; P565-E569 VanDerWaalsContact O-N 3.1Å; E569-K571 VanDerWaalsContact C-N 3.34Å; E569-K571 PolarHBondContact O-N 3.36Å; E569-K572 PolarHBondContact O-N 3Å; E569-R573 PolarHBondContact O-N 3.4Å
570R54.1Low53.7Low204 Ų204130.3 Ų130.377%0.7760%0.6SS**Hα-helixtrans-62.3-38.7173.7-82.8-179.6170.6-178.8-1.6112.3E566 R573 G574E566-R570 PolarHBondContact O-N 2.6Å; R570-R573 PolarHBondContact O-N 2.92Å; R570-G574 PolarHBondContact O-N 3.14Å
571K52.1Low51.4Low150 Ų150135.6 Ų135.665%0.65262%0.621SS**Hα-helixtrans-70.3-34.8174.6-77.5-175.4175.4-177.80113.3E567 E568 E569 R575E567-K571 PolarHBondContact O-N 3.47Å; E568-K571 PolarHBondContact O-N 2.74Å; E569-K571 VanDerWaalsContact C-N 3.34Å; E569-K571 PolarHBondContact O-N 3.36Å; K571-R575 PolarHBondContact O-N 2.95Å
572K51.8Low49.4Very low147 Ų147142.1 Ų142.164%0.63966%0.658SS**Hα-helixtrans-69.7-33.3173.1-78175.6178.7163.20112.7E568 E569E568-K572 PolarHBondContact O-N 3.07Å; E569-K572 PolarHBondContact O-N 3Å
573R50.5Low48Very low194 Ų194148.5 Ų148.573%0.73268%0.679SS**Hα-helixtrans-74.2-35.5173.9-76.6-176.4174.1-164.80.5113E569 R570 K576E569-R573 PolarHBondContact O-N 3.4Å; R570-R573 PolarHBondContact O-N 2.92Å; R573-K576 PolarHBondContact O-N 3.28Å
574G47.7Very low46.7Very low37 Ų37147.4 Ų147.438%0.38169%0.689SS.*Hα-helixtrans-62.8-47.1175.200000112.9R570 K576 R577R570-G574 PolarHBondContact O-N 3.14Å; G574-K576 VanDerWaalsContact C-N 3.26Å; G574-K576 PolarHBondContact O-N 3.14Å; G574-R577 PolarHBondContact O-N 3.34Å
575R51.5Low45.6Very low207 Ų207153.6 Ų153.678%0.78171%0.712SS**Hα-helixtrans-65.8-21.6179.6-104179.5174.2177.7-2.8115.2K571K571-R575 PolarHBondContact O-N 2.95Å
576K42Very low44.8Very low184 Ų184159.1 Ų159.180%0.873%0.727SS**THydrogen-bonded Turntrans-88.5-8.5179.6-147.2177.2-175.1179.60113R573 G574R573-K576 PolarHBondContact O-N 3.28Å; G574-K576 VanDerWaalsContact C-N 3.26Å; G574-K576 PolarHBondContact O-N 3.14Å
577R46.3Very low43.7Very low182 Ų182156.6 Ų156.669%0.68773%0.733SS**THydrogen-bonded Turntrans-96.3-29.6179.4-124.6177.7177.8174.2-1.5112.7G574 D579 K580G574-R577 PolarHBondContact O-N 3.34Å; R577-D579 PolarHBondContact O-N 3.45Å; R577-K580 PolarHBondContact O-N 3.48Å
578E45.1Very low42.8Very low159 Ų159158.5 Ų158.574%0.74375%0.751SS**G310 helixtrans-69.8-25.8-179.9-73.4176.9157.500114K580E578-K580 VanDerWaalsContact C-N 3.32Å; E578-K580 PolarHBondContact O-N 3.37Å
579D42.9Very low42.2Very low157 Ų157162 Ų16284%0.8477%0.765SS**G310 helixtrans-83.42.1179.3-84.3-21.7000114.6R577R577-D579 PolarHBondContact O-N 3.45Å
580K44.2Very low41.5Very low187 Ų187163.1 Ų163.181%0.81378%0.775SS**G310 helixtrans-132.715.6-171.7-134.6-176.5-177.3-174.40116R577 E578R577-K580 PolarHBondContact O-N 3.48Å; E578-K580 VanDerWaalsContact C-N 3.32Å; E578-K580 PolarHBondContact O-N 3.37Å
581E41.1Very low40.5Very low146 Ų146162.5 Ų162.568%0.68277%0.774SS**  trans-12026.7-177.7-87.1180-177.200114.5
582D39.3Very low39.9Very low165 Ų165164.6 Ų164.688%0.88279%0.786SS**SBendtrans-105.311174.3-120.9-2.3000114.7
583K37.9Very low39.2Very low194 Ų194166.2 Ų166.284%0.84380%0.796SS**SBendtrans-148.886169.9-77.3-169.3178176.10111.7
584S31.3Very low38.6Very low121 Ų121163.2 Ų163.285%0.84679%0.79SS**  trans164.974.5138.345.20000112.6K586S584-K586 PolarHBondContact O-N 2.93Å
585E31.3Very low38.1Very low195 Ų195170.3 Ų170.391%0.91181%0.81SS**  trans-78.9102.8151-78.8-170.6154.100108.8
586K33.2Very low37.4Very low207 Ų207165.2 Ų165.290%0.981%0.806SS**  trans174.794.3146.6-100.7174.3-175.6-179.30110S584S584-K586 PolarHBondContact O-N 2.93Å
587A28.3Very low37.3Very low103 Ų103166.4 Ų166.485%0.85181%0.806SS**  trans164.392.2139.100000109
588V31.8Very low36.9Very low147 Ų147164.8 Ų164.889%0.89181%0.806SS**  trans-104.9115.2160.4174.20000106.5
589K34.4Very low36.6Very low191 Ų191162.9 Ų162.983%0.8380%0.801SS**  trans-172.9138.4136.8-103.6174.7-178.8-172.30110.4
590D34.3Very low36.6Very low148 Ų148159.5 Ų159.579%0.79179%0.79SS**SBendtrans75.583.7169.5-60.1-10.4000118.2
591Y33.3Very low36.4Very low191 Ų191158 Ų15875%0.74979%0.785SS**  trans-166.756.2134.8-132.8-90.2000112.7E594Y591-E594 HydrophobicContact CE1-CB 4.37Å; Y591-E594 WeakPolarHBondContact CE1-OE2 3.28Å; Y591-E594 PolarHBondContact OH-OE2 2.74Å
592E40.4Very low36.4Very low195 Ų195160.3 Ų160.391%0.91179%0.788SS**  trans-120.879.2168.2-82.7-170.1155.900109.8
593Q36.7Very low36.5Very low180 Ų180158.6 Ų158.684%0.84178%0.778SS**SBendtrans-160.2-0.5159-123170.66.700117.4
594E38.1Very low36.6Very low131 Ų131157.3 Ų157.361%0.61277%0.773SS**SBendtrans-102.7-7.8-173.6-102-177.5161.600116.6Y591Y591-E594 HydrophobicContact CE1-CB 4.37Å; Y591-E594 WeakPolarHBondContact CE1-OE2 3.28Å; Y591-E594 PolarHBondContact OH-OE2 2.74Å
595K37.6Very low37Very low186 Ų186153.6 Ų153.681%0.80975%0.754SS**SBendtrans-92.7-10.1-174.8-104.8178178.7175.20116.3
596S36.8Very low37.7Very low100 Ų100150.7 Ų150.770%0.69974%0.743SS**SBendtrans-86.4-11.3-175.9-1720000114.4
597W38.8Very low38Very low210 Ų210147.4 Ų147.480%0.79573%0.734SS**SBendtrans-96.8-23.6-174.7-78.583000114
598Q38.4Very low38.5Very low147 Ų147149.7 Ų149.769%0.68773%0.728SS**Hα-helixtrans-82-21.9-177.7-78.2-178.8-11.400114.6
599D39Very low38.7Very low119 Ų119152.5 Ų152.564%0.63672%0.722SS**Hα-helixtrans-82.1-16.5178-76.3-23.6000113
600S42.2Very low38.9Very low86 Ų86146.2 Ų146.260%0.60171%0.712SS**Hα-helixtrans-84.2-28.4178.6-156.60000113.3
601E40.3Very low39Very low155 Ų155147.9 Ų147.972%0.72471%0.712SS**Hα-helixtrans-79.2-32.1176.5-77.6-169.2148.200113.5L603 K604 G605E601-L603 VanDerWaalsContact C-N 3.28Å; E601-L603 PolarHBondContact O-N 3.29Å; E601-K604 PolarHBondContact O-N 3.22Å; E601-G605 PolarHBondContact O-N 3.27Å
602R41.8Very low39Very low196 Ų196145.9 Ų145.974%0.7471%0.71SS**Hα-helixtrans-66.8-27.7176.5-92-178.4172.9171-1113.5
603L40.4Very low38.7Very low128 Ų128144 Ų14467%0.6771%0.705SS**Hα-helixtrans-79.2-23.9179.9-144.776.7000112.7E601E601-L603 VanDerWaalsContact C-N 3.28Å; E601-L603 PolarHBondContact O-N 3.29Å
604K41Very low38.7Very low168 Ų168143.5 Ų143.573%0.7371%0.708SS**Hα-helixtrans-76.4-37.1172.9-101.9179.6173-178.80112.8E601 I606 L607E601-K604 PolarHBondContact O-N 3.22Å; K604-I606 VanDerWaalsContact C-N 3.33Å; K604-I606 PolarHBondContact O-N 2.77Å; K604-L607 PolarHBondContact O-N 3.21Å
605G39.4Very low38.5Very low43 Ų43141.1 Ų141.144%0.44371%0.711SS.*Hα-helixtrans-70.7-19.1-179.100000115.8E601E601-G605 PolarHBondContact O-N 3.27Å
606I44.7Very low38.3Very low134 Ų134141.7 Ų141.769%0.68772%0.716SS**Hα-helixtrans-85.8-24.8178.1-65.7172000111.5K604K604-I606 VanDerWaalsContact C-N 3.33Å; K604-I606 PolarHBondContact O-N 2.77Å
607L40.2Very low38.1Very low138 Ų138141.4 Ų141.472%0.72372%0.72SS**Hα-helixtrans-83.4-23.4179.9-109.1129.7000113.6K604K604-L607 PolarHBondContact O-N 3.21Å
608E39.7Very low37.7Very low151 Ų151139.9 Ų139.971%0.70672%0.722SS**Hα-helixtrans-80.5-32.1173.4-74.7-173.115900112.7G610 K611E608-G610 PolarHBondContact O-N 2.76Å; E608-K611 PolarHBondContact O-N 3.11Å
609R35.7Very low37.3Very low205 Ų205140 Ų14077%0.77473%0.725SS**THydrogen-bonded Turntrans-71.5-11.8179.7-120.8-179.2-167.8-152.91.2115.3
610G37.5Very low37Very low60 Ų60141.4 Ų141.462%0.61973%0.732SS**THydrogen-bonded Turntrans-88.1-4.2175.100000114.4E608E608-G610 PolarHBondContact O-N 2.76Å
611K37.2Very low36.4Very low183 Ų183145.6 Ų145.680%0.79674%0.739SS**SBendtrans-103.2-7.9-179.3-95.1-176.6173.1-178.60114.6E608E608-K611 PolarHBondContact O-N 3.11Å
612E33.8Very low35.8Very low149 Ų149145.4 Ų145.470%0.69674%0.743SS**SBendtrans-96.4-18.6-176.4-71.1-179.5154.500114.2L614E612-L614 VanDerWaalsContact C-N 3.3Å; E612-L614 PolarHBondContact O-N 3.24Å
613D32.9Very low35.3Very low154 Ų154141.9 Ų141.982%0.82475%0.748SS**THydrogen-bonded Turntrans-85.511.9-178.1-74.1-14.7000115.1
614L36.8Very low35Very low170 Ų170141.8 Ų141.889%0.8976%0.755SS**THydrogen-bonded Turntrans-114.19.3175.5-85.5163.8000113.4E612E612-L614 VanDerWaalsContact C-N 3.3Å; E612-L614 PolarHBondContact O-N 3.24Å
615A35.3Very low34.7Very low82 Ų82141.4 Ų141.468%0.67876%0.761SS**  trans-127.444.3-177.600000113.1
616E31.4Very low34.4Very low197 Ų197144.9 Ų144.992%0.92178%0.779SS**  trans-130.384.2160.7-79.5-169.5158.100109.8
617A33.1Very low33.8Very low94 Ų94144.3 Ų144.378%0.77778%0.784SS**  trans-109.3118.5152.200000106.6I619A617-I619 PolarHBondContact O-N 2.63Å
618E31Very low33.3Very low178 Ų178147 Ų14783%0.83279%0.793SS**  trans-48120.2-173.4-64.8177.5144.100113I620E618-I620 PolarHBondContact O-N 2.61Å
619I30.1Very low32.9Very low150 Ų150145.4 Ų145.477%0.76980%0.795SS**  trans-81.198.6163.6-63.3170.1000106.7A617 K621A617-I619 PolarHBondContact O-N 2.63Å; I619-K621 HydrophobicContact CG2-CG 4.14Å
620I31.9Very low32.6Very low149 Ų149141.4 Ų141.476%0.76480%0.796SS**  trans-87.8111.3162.8-61.5174.8000107.2E618E618-I620 PolarHBondContact O-N 2.61Å
621K29.7Very low32.3Very low173 Ų173146 Ų14675%0.75281%0.807SS**  trans-96.1120.6164.3-80.7-179.4175.5179.40108.4I619I619-K621 HydrophobicContact CG2-CG 4.14Å
622D29.2Very low32Very low152 Ų152147.5 Ų147.581%0.81381%0.813SS**  172.2111.3125-88.5-12.8000112.9
623S29.6Very low31.7Very low121 Ų121149.9 Ų149.985%0.84682%0.821SS**  trans-177.4137.8132.5-820000110.4
624P34.1Very low31.4Very low126 Ų126148.1 Ų148.182%0.81882%0.818SS**  trans-10399.4-173.335.5-23.8000111.3
625D36.4Very low31Very low160 Ų160148.5 Ų148.586%0.85682%0.82SS**  trans-173.6104.1150.1-126.8-14.5000110.5
626S32.8Very low30.6Very low116 Ų116150.8 Ų150.881%0.81183%0.825SS**  trans163.4149.3149.5-79.20000112.3
627P31.1Very low30.4Very low123 Ų123150 Ų15080%0.79982%0.822SS**PPolyproline II helixtrans-89.7158.1-14835.6-35.7000115.7
628E30.2Very low30.1Very low194 Ų194154.4 Ų154.491%0.90783%0.828SS**PPolyproline II helixtrans-60.9141.5-176.6-65.6179.1151.500115
629P30.7Very low29.9Very low118 Ų118153.5 Ų153.577%0.76683%0.829SS**PPolyproline II helixtrans-95.2147.6161.933.6-27.2000112.4
630P30.7Very low29.9Very low120 Ų120155 Ų15578%0.77983%0.833SS**PPolyproline II helixtrans-82.1141.5-166.832.2-34.7000114.4
631N30.1Very low29.7Very low158 Ų158153.9 Ų153.985%0.84583%0.833SS**  trans43.5116.6152-73.4-25.3000121.2
632K31.2Very low29.6Very low214 Ų214151.3 Ų151.393%0.9383%0.834SS**  trans-37.5130.1162.3-68.1171.8174.5176.20113.6
633K28.2Very low29.3Very low199 Ų199153 Ų15387%0.86584%0.837SS**  trans-104.8150.9154.1-73.2-173.9-180-178.50109.7
634P27Very low29.4Very low117 Ų117153.4 Ų153.476%0.7683%0.834SS**PPolyproline II helixtrans-72145.4-163.7-10.527000112.4V636P634-V636 PolarHBondContact O-N 2.89Å
635L28Very low29.1Very low177 Ų177156 Ų15693%0.92784%0.835SS**PPolyproline II helixtrans-62.1116.8167.6-157.282.8000108.2
636V26.1Very low28.9Very low130 Ų130157.5 Ų157.579%0.78883%0.834SS**PPolyproline II helixtrans-94.3126.8170.3179.20000107.2P634P634-V636 PolarHBondContact O-N 2.89Å
637E27.6Very low28.9Very low182 Ų182156.9 Ų156.985%0.8583%0.83SS**PPolyproline II helixtrans-54.8132.4177.8-73.2173.6143.400110.9D639E637-D639 PolarHBondContact O-N 3.48Å; E637-D639 VanDerWaalsContact O-N 3.15Å
638M26.6Very low29.2Very low185 Ų185161.3 Ų161.391%0.91184%0.837SS**  trans-67.1107.6170.1-82.7170.757.100108.4
639D26.3Very low30.2Very low160 Ų160153.8 Ų153.886%0.85681%0.811SS**PPolyproline II helixtrans-65.6134.7169-141.6-5.3000109.1E637 T641E637-D639 PolarHBondContact O-N 3.48Å; E637-D639 VanDerWaalsContact O-N 3.15Å; D639-T641 PolarHBondContact O-N 3.25Å
640E29.5Very low31.6Very low181 Ų181151.5 Ų151.585%0.84680%0.796SS**PPolyproline II helixtrans-61.1119.7-174.8-68.2-174.214500110.1
641T28.2Very low33.9Very low126 Ų126149.7 Ų149.777%0.77378%0.783SS**PPolyproline II helixtrans-56.8136.2169.536.30000109.8D639 Q643D639-T641 PolarHBondContact O-N 3.25Å; T641-Q643 PolarHBondContact O-N 3.1Å
642P26.9Very low36.6Very low118 Ų118142.3 Ų142.377%0.76674%0.743SS**PPolyproline II helixtrans-59.8128.5178.78.1-8.6000109.1V644P642-V644 PolarHBondContact O-N 3.4Å
643Q24.9Very low39.3Very low189 Ų189134.1 Ų134.188%0.88371%0.71SS**  trans-48.7109.4176.1-85.3-175.3-23.300109.8T641 E645T641-Q643 PolarHBondContact O-N 3.1Å; Q643-E645 PolarHBondContact O-N 2.97Å; Q643-E645 VanDerWaalsContact O-N 3.16Å
644V30.8Very low42.1Very low128 Ų128126.6 Ų126.678%0.77668%0.679SS**  trans-55.1119.5159.81770000106.1P642 K646P642-V644 PolarHBondContact O-N 3.4Å; V644-K646 PolarHBondContact O-N 3.42Å
645E28.1Very low44.9Very low182 Ų182122.7 Ų122.785%0.8565%0.654SS**  trans-46.8112.9169-79.7-174.9146.700108Q643 S647Q643-E645 PolarHBondContact O-N 2.97Å; Q643-E645 VanDerWaalsContact O-N 3.16Å; E645-S647 VanDerWaalsContact C-N 3.31Å; E645-S647 PolarHBondContact O-N 3.27Å
646K32Very low47.6Very low190 Ų190119 Ų11983%0.82663%0.634SS**  trans-61.997.7174-72.5180178.9176.40107.1V644 K648V644-K646 PolarHBondContact O-N 3.42Å; K646-K648 PolarHBondContact O-N 3.01Å
647S32.7Very low50.5Low103 Ų103120.4 Ų120.472%0.7263%0.626SS**  trans-57.1114.8168.253.20000107.5E645 G649E645-S647 VanDerWaalsContact C-N 3.31Å; E645-S647 PolarHBondContact O-N 3.27Å; S647-G649 PolarHBondContact O-N 3.04Å
648K37.5Very low53.1Low217 Ų217113.5 Ų113.594%0.94360%0.598SS**SBendtrans-7646.7179.9-67.3-178.7178.1175.90111.2K646K646-K648 PolarHBondContact O-N 3.01Å
649G50.2Low56Low36 Ų36109.1 Ų109.137%0.37158%0.578SS.*SBendtrans-133.8158.7-178.200000112.1S647 V651S647-G649 PolarHBondContact O-N 3.04Å; G649-V651 PolarHBondContact O-N 2.92Å
650P61Low58.8Low69 Ų69110 Ų11045%0.44857%0.569SS.*PPolyproline II helixtrans-60.7133.6175.122.8-28.6000110.7A542 S652A542-P650 HydrophobicContact CB-CG 3.66Å; P650-S652 PolarHBondContact O-N 3.38Å
651V78.6Confident61.4Low83 Ų83104.4 Ų104.450%0.50354%0.544SS..PPolyproline II helixtrans-78.4118-176.3-175.60000109.1G649 S655 L656G649-V651 PolarHBondContact O-N 2.92Å; V651-S655 WeakPolarHBondContact CG1-OG 3.42Å; V651-L656 HydrophobicContact CG1-CD2 3.65Å; V651-L656 HydrophobicContact CG1-CG 3.81Å
652S88.3Confident64.1Low2 Ų2103.2 Ų103.21%0.01453%0.533CS..PPolyproline II helixtrans-72.6154.9-17966.80000113.1E453 T456 P650 L654 S655 L656E453-S652 WeakPolarHBondContact O-CB 3.5Å; T456-S652 CarbonylContact O-C 3.52Å; T456-S652 VanDerWaalsContact O-CA 3.29Å; T456-S652 WeakPolarHBondContact O-CA 3.42Å; P650-S652 PolarHBondContact O-N 3.38Å; S652-L654 PolarHBondContact O-N 3.34Å; S652-S655 PolarHBondContact N-OG 2.92Å; S652-S655 VanDerWaalsContact N-OG 3.12Å; S652-S655 PolarHBondContact O-N 3.48Å; S652-S655 PolarHBondContact O-OG 3.34Å; S652-S655 PolarHBondContact OG-N 3.3Å; S652-S655 PolarHBondContact OG-OG 3.34Å; S652-L656 PolarHBondContact O-N 3.14Å
653L87.4Confident66.8Low43 Ų43100.7 Ų100.723%0.22552%0.516CS..Hα-helixtrans-56.6-38.1174.5-64.7-178.6000111.8T456 W459 M461 S655 L656 W657T456-L653 HydrophobicContact CG2-CB 4.46Å; T456-L653 PolarHBondContact O-N 2.84Å; W459-L653 HydrophobicContact CB-CD1 3.76Å; W459-L653 HydrophobicContact CB-CG 4.29Å; W459-L653 HydrophobicContact CD2-CD1 4.42Å; W459-L653 HydrophobicContact CE3-CD1 4.06Å; W459-L653 HydrophobicContact CG-CD1 4.33Å; W459-L653 WeakPolarHBondContact O-CD1 3.44Å; M461-L653 HydrophobicContact CG-CD1 4.13Å; M461-L653 HydrophobicContact CG-CD2 4.46Å; L653-S655 VanDerWaalsContact C-N 3.3Å; L653-S655 PolarHBondContact O-N 3Å; L653-L656 HydrophobicContact CD2-CD1 4.43Å; L653-L656 PolarHBondContact O-N 3.39Å; L653-W657 WeakPolarHBondContact O-CB 3.41Å; L653-W657 PolarHBondContact O-N 2.98Å
654L86.6Confident69.4Low41 Ų4193.7 Ų93.722%0.21549%0.49CS..Hα-helixtrans-58.2-44.3176.2179.163.3000111.2K449 L452 E453 T456 S652 W657 S658K449-L654 HydrophobicContact CG-CD2 4.35Å; L452-L654 HydrophobicContact CB-CD2 3.94Å; E453-L654 HydrophobicContact CB-CD2 4.34Å; T456-L654 PolarHBondContact OG1-N 3.06Å; S652-L654 PolarHBondContact O-N 3.34Å; L654-W657 HydrophobicContact CD1-CE3 4.42Å; L654-S658 VanDerWaalsContact O-CB 3.27Å; L654-S658 WeakPolarHBondContact O-CB 3.29Å; L654-S658 PolarHBondContact O-N 3.03Å; L654-S658 PolarHBondContact O-OG 3.5Å
655S85.2Confident71.7Confident35 Ų3591.1 Ų91.125%0.24547%0.472CS..Hα-helixtrans-69.2-40.1178.969.60000112.5V651 S652 L653 W657 S658 N659V651-S655 WeakPolarHBondContact CG1-OG 3.42Å; S652-S655 PolarHBondContact N-OG 2.92Å; S652-S655 VanDerWaalsContact N-OG 3.12Å; S652-S655 PolarHBondContact O-N 3.48Å; S652-S655 PolarHBondContact O-OG 3.34Å; S652-S655 PolarHBondContact OG-N 3.3Å; S652-S655 PolarHBondContact OG-OG 3.34Å; L653-S655 VanDerWaalsContact C-N 3.3Å; L653-S655 PolarHBondContact O-N 3Å; S655-W657 PolarHBondContact O-N 3.49Å; S655-S658 PolarHBondContact O-N 2.87Å; S655-N659 VanDerWaalsContact O-CB 3.3Å; S655-N659 WeakPolarHBondContact O-CB 3.33Å; S655-N659 PolarHBondContact O-N 2.77Å; S655-N659 PolarHBondContact O-ND2 3.36Å
656L86.1Confident73.9Confident98 Ų9886.1 Ų86.151%0.51346%0.458SS..Hα-helixtrans-59.4-47.8174-70.7175.4000111.5V651 S652 L653 R660V651-L656 HydrophobicContact CG1-CD2 3.65Å; V651-L656 HydrophobicContact CG1-CG 3.81Å; S652-L656 PolarHBondContact O-N 3.14Å; L653-L656 HydrophobicContact CD2-CD1 4.43Å; L653-L656 PolarHBondContact O-N 3.39Å; L656-R660 WeakPolarHBondContact O-CB 3.34Å; L656-R660 PolarHBondContact O-N 2.88Å
657W85.7Confident75.9Confident161 Ų16187 Ų8761%0.6146%0.456SS*.Hα-helixtrans-64.4-47.8178.817977.3000111.5L653 L654 S655 N659 R660 I661L653-W657 WeakPolarHBondContact O-CB 3.41Å; L653-W657 PolarHBondContact O-N 2.98Å; L654-W657 HydrophobicContact CD1-CE3 4.42Å; S655-W657 PolarHBondContact O-N 3.49Å; W657-N659 VanDerWaalsContact C-N 3.35Å; W657-N659 PolarHBondContact O-N 2.9Å; W657-R660 PolarHBondContact O-N 2.86Å; W657-I661 HydrophobicContact CD2-CG1 4.14Å; W657-I661 HydrophobicContact CG-CG1 4.47Å; W657-I661 HydrophobicContact CZ2-CD1 4.49Å; W657-I661 HydrophobicContact CZ2-CG1 4Å; W657-I661 WeakPolarHBondContact O-CG1 3.45Å; W657-I661 PolarHBondContact O-N 3.38Å
658S83.7Confident77.7Confident37 Ų3790 Ų9026%0.25946%0.456SS..Hα-helixtrans-59-45.4178.9-59.10000111.6L654 S655 R660 I661 N662L654-S658 VanDerWaalsContact O-CB 3.27Å; L654-S658 WeakPolarHBondContact O-CB 3.29Å; L654-S658 PolarHBondContact O-N 3.03Å; L654-S658 PolarHBondContact O-OG 3.5Å; S655-S658 PolarHBondContact O-N 2.87Å; S658-R660 PolarHBondContact O-N 3.21Å; S658-I661 PolarHBondContact O-N 3.32Å; S658-N662 WeakPolarHBondContact O-CB 3.24Å; S658-N662 PolarHBondContact O-N 2.92Å; S658-N662 PolarHBondContact O-ND2 3.34Å
659N86.3Confident78.5Confident93 Ų9386 Ų8650%0.49744%0.44SS..Hα-helixtrans-63.1-41.9177.7-71.9-18.4000112S655 W657 N662 T663S655-N659 VanDerWaalsContact O-CB 3.3Å; S655-N659 WeakPolarHBondContact O-CB 3.33Å; S655-N659 PolarHBondContact O-N 2.77Å; S655-N659 PolarHBondContact O-ND2 3.36Å; W657-N659 VanDerWaalsContact C-N 3.35Å; W657-N659 PolarHBondContact O-N 2.9Å; N659-N662 PolarHBondContact O-N 3.24Å; N659-T663 WeakPolarHBondContact O-CB 3.36Å; N659-T663 PolarHBondContact O-N 3.06Å; N659-T663 PolarHBondContact O-OG1 3.49Å
660R85.8Confident78.8Confident178 Ų17893.6 Ų93.667%0.67247%0.466SS*.Hα-helixtrans-63.3-45.8176.6-175.5179.8-180178.40.8111.7L656 W657 S658 T663 A664L656-R660 WeakPolarHBondContact O-CB 3.34Å; L656-R660 PolarHBondContact O-N 2.88Å; W657-R660 PolarHBondContact O-N 2.86Å; S658-R660 PolarHBondContact O-N 3.21Å; R660-T663 PolarHBondContact O-N 3.43Å; R660-A664 WeakPolarHBondContact O-CB 3.49Å; R660-A664 PolarHBondContact O-N 3.27Å
661I83.7Confident78.6Confident63 Ų6396.5 Ų96.532%0.32347%0.473SS..Hα-helixtrans-64.3-45.2178.6-67.3-62.6000110.7W657 S658 T663 A664 N665W657-I661 HydrophobicContact CD2-CG1 4.14Å; W657-I661 HydrophobicContact CG-CG1 4.47Å; W657-I661 HydrophobicContact CZ2-CD1 4.49Å; W657-I661 HydrophobicContact CZ2-CG1 4Å; W657-I661 WeakPolarHBondContact O-CG1 3.45Å; W657-I661 PolarHBondContact O-N 3.38Å; S658-I661 PolarHBondContact O-N 3.32Å; I661-T663 VanDerWaalsContact C-N 3.31Å; I661-T663 PolarHBondContact O-N 3.02Å; I661-A664 PolarHBondContact O-N 3.44Å; I661-N665 WeakPolarHBondContact O-CB 3.44Å; I661-N665 VanDerWaalsContact O-CG 3.26Å; I661-N665 PolarHBondContact O-N 3.39Å
662N84.1Confident77.5Confident101 Ų10197.5 Ų97.554%0.5447%0.471SS..Hα-helixtrans-59.9-42176.8-71.8-19.5000111.8S658 N659 N665 S666S658-N662 WeakPolarHBondContact O-CB 3.24Å; S658-N662 PolarHBondContact O-N 2.92Å; S658-N662 PolarHBondContact O-ND2 3.34Å; N659-N662 PolarHBondContact O-N 3.24Å; N662-N665 PolarHBondContact O-N 2.74Å; N662-S666 WeakPolarHBondContact O-CB 3.23Å; N662-S666 PolarHBondContact O-N 3.43Å; N662-S666 PolarHBondContact O-OG 3.4Å
663T84.1Confident76.1Confident66 Ų66100.8 Ų100.841%0.40550%0.498SS..Hα-helixtrans-67.2-38.6176.1-54.10000112.3N659 R660 I661 S666 R667N659-T663 WeakPolarHBondContact O-CB 3.36Å; N659-T663 PolarHBondContact O-N 3.06Å; N659-T663 PolarHBondContact O-OG1 3.49Å; R660-T663 PolarHBondContact O-N 3.43Å; I661-T663 VanDerWaalsContact C-N 3.31Å; I661-T663 PolarHBondContact O-N 3.02Å; T663-S666 WeakPolarHBondContact CA-OG 3.22Å; T663-S666 PolarHBondContact O-OG 3.18Å; T663-R667 VanDerWaalsContact O-CG 3.29Å; T663-R667 WeakPolarHBondContact O-CG 3.46Å; T663-R667 PolarHBondContact O-N 3.36Å
664A79.7Confident74.8Confident41 Ų4199.8 Ų99.834%0.33950%0.499SS..Hα-helixtrans-68.4-38.8176.400000111.6R660 I661 R667 K668R660-A664 WeakPolarHBondContact O-CB 3.49Å; R660-A664 PolarHBondContact O-N 3.27Å; I661-A664 PolarHBondContact O-N 3.44Å; A664-R667 PolarHBondContact O-N 3.12Å; A664-K668 WeakPolarHBondContact O-CG 3.46Å; A664-K668 PolarHBondContact O-N 3.01Å
665N78.5Confident73.7Confident75 Ų75104.8 Ų104.840%0.40152%0.515SS..Hα-helixtrans-69.3-40.5177.3-72.2-13.6000111.8I661 N662 R667 K668 H669I661-N665 WeakPolarHBondContact O-CB 3.44Å; I661-N665 VanDerWaalsContact O-CG 3.26Å; I661-N665 PolarHBondContact O-N 3.39Å; N662-N665 PolarHBondContact O-N 2.74Å; N665-R667 PolarHBondContact O-N 3.04Å; N665-K668 PolarHBondContact O-N 2.68Å; N665-H669 PolarHBondContact O-CD2 2.87Å; N665-H669 PolarHBondContact O-N 2.77Å; N665-H669 VanDerWaalsContact O-N 3.09Å
666S75.4Confident72.5Confident77 Ų77108.8 Ų108.854%0.53853%0.533SS..Hα-helixtrans-64.7-24.7175.765.70000113N662 T663N662-S666 WeakPolarHBondContact O-CB 3.23Å; N662-S666 PolarHBondContact O-N 3.43Å; N662-S666 PolarHBondContact O-OG 3.4Å; T663-S666 WeakPolarHBondContact CA-OG 3.22Å; T663-S666 PolarHBondContact O-OG 3.18Å
667R73.1Confident71.2Confident209 Ų209110.2 Ų110.279%0.78954%0.541SS*.Hα-helixtrans-79-24.7171.9-69.3172.1-174.8-168.81.2113.7T663 A664 N665T663-R667 VanDerWaalsContact O-CG 3.29Å; T663-R667 WeakPolarHBondContact O-CG 3.46Å; T663-R667 PolarHBondContact O-N 3.36Å; A664-R667 PolarHBondContact O-N 3.12Å; N665-R667 PolarHBondContact O-N 3.04Å
668K70Confident69.8Low166 Ų166103.9 Ų103.972%0.72252%0.521SS*.Hα-helixtrans-91-18.4-178.3-74.7-176.8177.7-175.80113.5A664 N665A664-K668 WeakPolarHBondContact O-CG 3.46Å; A664-K668 PolarHBondContact O-N 3.01Å; N665-K668 PolarHBondContact O-N 2.68Å
669H56Low68.2Low133 Ų133107.6 Ų107.662%0.61654%0.542SS*.SBendtrans-116.6129.1176.9-63.6-61.2000109.3N665 E671N665-H669 PolarHBondContact O-CD2 2.87Å; N665-H669 PolarHBondContact O-N 2.77Å; N665-H669 VanDerWaalsContact O-N 3.09Å; H669-E671 PolarHBondContact O-N 3.14Å
670Q55.7Low66.6Low195 Ų195110.1 Ų110.191%0.91156%0.556SS**  trans-55.3132.5162.8-82.8-179.4-10.100107.9F672Q670-F672 PolarHBondContact O-N 3.33Å
671E56.8Low65.1Low129 Ų129108.5 Ų108.560%0.60356%0.56SS**  trans-53.3135.3177-171.2162.4-158.400109.3H669 A673H669-E671 PolarHBondContact O-N 3.14Å; E671-A673 PolarHBondContact O-N 3.03Å
672F56.1Low63.6Low104 Ų104115.5 Ų115.546%0.45658%0.583SS.*  trans-57.1115.2-179.5174.7-108.8000108.5Q670 G674 R675 A683 L685Q670-F672 PolarHBondContact O-N 3.33Å; F672-G674 PolarHBondContact O-N 3.19Å; F672-R675 HydrophobicContact CD1-CB 4.34Å; F672-R675 HydrophobicContact CD1-CG 4.39Å; F672-R675 WeakPolarHBondContact O-CB 3.14Å; F672-R675 PolarHBondContact O-N 2.81Å; F672-A683 HydrophobicContact CD1-CB 4.33Å; F672-A683 HydrophobicContact CE1-CB 3.6Å; F672-L685 HydrophobicContact CZ-CD2 4.21Å
673A59.4Low62.6Low71 Ų71112.2 Ų112.259%0.58757%0.569SS**Hα-helixtrans-54.9-30.4-17200000113.4E671 R675 L676E671-A673 PolarHBondContact O-N 3.03Å; A673-R675 PolarHBondContact O-N 2.93Å; A673-L676 PolarHBondContact O-N 3.22Å
674G59.5Low61.4Low23 Ų23114.3 Ų114.324%0.23758%0.575CS.*Hα-helixtrans-68.3-18175.600000114.7F672 S678 A683F672-G674 PolarHBondContact O-N 3.19Å; G674-S678 WeakPolarHBondContact O-CB 3.41Å; G674-S678 PolarHBondContact O-N 3.11Å; G674-A683 VanDerWaalsContact C-CB 3.49Å; G674-A683 WeakPolarHBondContact O-CB 3.37Å
675R62.5Low60.4Low145 Ų145117.7 Ų117.755%0.54759%0.586SS.*Hα-helixtrans-79.1-31175.3-102.3-178.9-96.1-164.1-5.8112.7F672 A673 N677 S678F672-R675 HydrophobicContact CD1-CB 4.34Å; F672-R675 HydrophobicContact CD1-CG 4.39Å; F672-R675 WeakPolarHBondContact O-CB 3.14Å; F672-R675 PolarHBondContact O-N 2.81Å; A673-R675 PolarHBondContact O-N 2.93Å; R675-N677 PolarHBondContact O-N 2.73Å; R675-S678 PolarHBondContact O-N 2.83Å; R675-S678 PolarHBondContact O-OG 3Å
676L60.2Low59.6Low119 Ų119121.3 Ų121.362%0.62360%0.595SS**Hα-helixtrans-61.4-27.8174-69.5163.6000112.2A673A673-L676 PolarHBondContact O-N 3.22Å
677N58.3Low58.8Low128 Ų128122.1 Ų122.168%0.68459%0.591SS**THydrogen-bonded Turntrans-11015179.5-60.9-17.9000112.9R675R675-N677 PolarHBondContact O-N 2.73Å
678S57Low57.8Low28 Ų28117.7 Ų117.720%0.19658%0.579CS.*  trans-87.9136.6-17567.50000112.6G674 R675 R682G674-S678 WeakPolarHBondContact O-CB 3.41Å; G674-S678 PolarHBondContact O-N 3.11Å; R675-S678 PolarHBondContact O-N 2.83Å; R675-S678 PolarHBondContact O-OG 3Å; S678-R682 WeakPolarHBondContact CB-O 3.25Å
679V50.1Low57Low116 Ų116113.4 Ų113.470%0.70356%0.564SS**BIsolated β-bridgetrans-92.2128164.2-174.90000107.2N681 R682V679-N681 PolarHBondContact O-N 3.44Å; V679-R682 PolarHBondContact O-N 3.49Å
680N52.9Low57Low146 Ų146112.9 Ų112.978%0.78156%0.559SS**THydrogen-bonded Turntrans59.439.6179.9-62.5-26.4000115.9R682N680-R682 PolarHBondContact O-N 2.75Å
681N53.3Low56.9Low143 Ų143111.3 Ų111.377%0.76555%0.552SS**THydrogen-bonded Turntrans58.916.7179.9-74.2-36.9000114.7V679V679-N681 PolarHBondContact O-N 3.44Å
682R53.9Low56.6Low211 Ų211112.7 Ų112.780%0.79656%0.559SS**BIsolated β-bridgetrans-111.2109.7172.9-74.2-175.1175.1-177.6-0.7109.2S678 V679 N680S678-R682 WeakPolarHBondContact CB-O 3.25Å; V679-R682 PolarHBondContact O-N 3.49Å; N680-R682 PolarHBondContact O-N 2.75Å
683A62Low56.2Low31 Ų31113.4 Ų113.426%0.25657%0.567SS.*PPolyproline II helixtrans-81.4120175.100000109.8F672 G674 L685F672-A683 HydrophobicContact CD1-CB 4.33Å; F672-A683 HydrophobicContact CE1-CB 3.6Å; G674-A683 VanDerWaalsContact C-CB 3.49Å; G674-A683 WeakPolarHBondContact O-CB 3.37Å; A683-L685 PolarHBondContact O-N 3.17Å
684E59.4Low55.6Low111 Ų111113.3 Ų113.352%0.51957%0.573SS.*PPolyproline II helixtrans-72.1121.4171.1-68.3-158.9147.400109.8Q687 K690E684-Q687 HydrophobicContact CB-CG 4.33Å; E684-K690 IonicContact OE1-NZ 2.81Å; E684-K690 PolarHBondContact OE1-NZ 3.47Å; E684-K690 IonicContact OE2-NZ 2.81Å; E684-K690 PolarHBondContact OE2-NZ 3.27Å
685L58.2Low54.6Low112 Ų112120.3 Ų120.359%0.58660%0.601SS**SBendtrans-86.2147.8172.5-63.3171.5000109.1F672 A683F672-L685 HydrophobicContact CZ-CD2 4.21Å; A683-L685 PolarHBondContact O-N 3.17Å
686Y61.7Low53.3Low150 Ų150122.1 Ų122.159%0.58862%0.616SS**  trans66.938.4173.2-44.3-76.7000116.2H688 L689 K690Y686-H688 PolarHBondContact O-N 2.94Å; Y686-L689 HydrophobicContact CD1-CD1 3.91Å; Y686-L689 HydrophobicContact CG-CD1 4.1Å; Y686-L689 WeakPolarHBondContact O-CB 3.2Å; Y686-L689 PolarHBondContact O-N 2.98Å; Y686-K690 PolarHBondContact O-N 2.88Å
687Q58.7Low52.1Low95 Ų95122.5 Ų122.544%0.44462%0.624SS.*Hα-helixtrans-53.2-36.3174-77.5177-21.100113.2E684 L689 K690 E691E684-Q687 HydrophobicContact CB-CG 4.33Å; Q687-L689 PolarHBondContact O-N 3.27Å; Q687-K690 WeakPolarHBondContact O-CB 3.33Å; Q687-K690 PolarHBondContact O-N 2.76Å; Q687-E691 PolarHBondContact O-N 2.85Å; Q687-E691 VanDerWaalsContact O-N 3.09Å
688H53.3Low50.8Low115 Ų115122.7 Ų122.753%0.53263%0.63SS.*Hα-helixtrans-60.7-29.2175.255.3-86.6000113.8Y686 E692Y686-H688 PolarHBondContact O-N 2.94Å; H688-E692 PolarHBondContact O-N 3.39Å; H688-E692 VanDerWaalsContact O-N 3.13Å
689L51.8Low49.6Very low77 Ų77130.3 Ų130.340%0.40366%0.662SS.*Hα-helixtrans-81.5-18.8175.8-83.7157.1000112.8Y686 Q687 N693Y686-L689 HydrophobicContact CD1-CD1 3.91Å; Y686-L689 HydrophobicContact CG-CD1 4.1Å; Y686-L689 WeakPolarHBondContact O-CB 3.2Å; Y686-L689 PolarHBondContact O-N 2.98Å; Q687-L689 PolarHBondContact O-N 3.27Å; L689-N693 PolarHBondContact O-ND2 3.35Å
690K56.1Low48.7Very low122 Ų122133.1 Ų133.153%0.5367%0.673SS.*Hα-helixtrans-77.2-38.2167.9-75-174.8179177.90110.9E684 Y686 Q687 N693 G694E684-K690 IonicContact OE1-NZ 2.81Å; E684-K690 PolarHBondContact OE1-NZ 3.47Å; E684-K690 IonicContact OE2-NZ 2.81Å; E684-K690 PolarHBondContact OE2-NZ 3.27Å; Y686-K690 PolarHBondContact O-N 2.88Å; Q687-K690 WeakPolarHBondContact O-CB 3.33Å; Q687-K690 PolarHBondContact O-N 2.76Å; K690-N693 PolarHBondContact O-N 3.4Å; K690-G694 PolarHBondContact O-N 3.05Å
691E53.3Low47.6Very low162 Ų162129.9 Ų129.976%0.75767%0.674SS**Hα-helixtrans-67.3-36.6176.4-70.9176.9175.900112.4Q687 N693Q687-E691 PolarHBondContact O-N 2.85Å; Q687-E691 VanDerWaalsContact O-N 3.09Å; E691-N693 VanDerWaalsContact C-N 3.28Å; E691-N693 PolarHBondContact O-N 3.38Å
692E50.4Low46.6Very low158 Ų158133.1 Ų133.174%0.73868%0.682SS**THydrogen-bonded Turntrans-68.8-21.6173.1-91.5-173.2151.800114.1H688H688-E692 PolarHBondContact O-N 3.39Å; H688-E692 VanDerWaalsContact O-N 3.13Å
693N48.8Very low45.5Very low119 Ų119128.3 Ų128.364%0.63669%0.687SS**THydrogen-bonded Turntrans-106.214-175.9-75-45.9000114.8L689 K690 E691 M695L689-N693 PolarHBondContact O-ND2 3.35Å; K690-N693 PolarHBondContact O-N 3.4Å; E691-N693 VanDerWaalsContact C-N 3.28Å; E691-N693 PolarHBondContact O-N 3.38Å; N693-M695 PolarHBondContact O-N 2.83Å
694G46.7Very low43.9Very low69 Ų69132.3 Ų132.371%0.71171%0.713SS**THydrogen-bonded Turntrans46.646.3158.700000117K690K690-G694 PolarHBondContact O-N 3.05Å
695M37.9Very low42.7Very low169 Ų169138.4 Ų138.483%0.83373%0.731SS**  trans-118.888.2169.7-88.4-171.416800110.8N693 T697N693-M695 PolarHBondContact O-N 2.83Å; M695-T697 PolarHBondContact O-N 3.22Å
696E34.6Very low41.4Very low183 Ų183145.9 Ų145.986%0.85576%0.763SS**  trans-67.8112.4154.1-77.8-173.1155.900108.3
697T35Very low40.4Very low128 Ų128145.7 Ų145.779%0.78577%0.772SS**  trans-102.5100.3159.237.90000107.7M695 E699M695-T697 PolarHBondContact O-N 3.22Å; T697-E699 PolarHBondContact O-N 3.42Å
698T31.9Very low39.4Very low132 Ų132148.4 Ų148.481%0.8179%0.789SS**  trans-72100.5170.121.10000108.8N700T698-N700 PolarHBondContact O-N 3.16Å
699E32.4Very low38.6Very low188 Ų188150.2 Ų150.288%0.87980%0.804SS**  trans-87100161.1-86.9-165.515500109.6T697T697-E699 PolarHBondContact O-N 3.42Å
700N31.5Very low37.8Very low174 Ų174154.5 Ų154.593%0.9383%0.827SS**  trans-159.4114.5152.5-107-27.9000109.8T698T698-N700 PolarHBondContact O-N 3.16Å
701G29.6Very low36.7Very low78 Ų78156.6 Ų156.680%0.80485%0.846SS**  trans177.580.7175.400000115A703G701-A703 PolarHBondContact O-N 2.87Å
702K30.8Very low35.6Very low212 Ų212156.2 Ų156.292%0.92285%0.852SS**  trans-44.2130.1169.3-71.2169.7173.1171.90112.5S704K702-S704 PolarHBondContact O-N 3.28Å
703A30.8Very low34.5Very low110 Ų110156.1 Ų156.191%0.90986%0.86SS**  trans-68.1121.4165.700000110.4G701G701-A703 PolarHBondContact O-N 2.87Å
704S28.4Very low33.4Very low114 Ų114158.9 Ų158.980%0.79788%0.877SS**  trans-115.4138.2161.8-173.70000108.8K702K702-S704 PolarHBondContact O-N 3.28Å
705R35.1Very low32.3Very low239 Ų239166.4 Ų166.490%0.90289%0.891SS**  trans-27.9128.2175-67.4168.2170.4174.8-3.9116.2
706Q30.3Very low31.8Very low270 Ų270166.2 Ų166.2100%1.26290%0.896SS**  -1640104.7-113.3-179.6-300110.6

Retrieved 706 of 706 residues in 225.7 ms (Link to these results)

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