A0A087X535_POEFO Loading...

Asparagine synthetase domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A087X535, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 588 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
1M87.9Confident92Very high10 Ų1018.7 Ų18.75%0.0499%0.091CC..  0146.50-172.2-94.6-100.400111.9R28 L54 M56 N76 E78 K504 E505M1-R28 HydrophobicContact CE-CG 3.91Å; M1-R28 WeakPolarHBondContact CE-O 3.45Å; M1-R28 HydrophobicContact SD-CG 3.44Å; M1-R28 WeakPolarHBondContact SD-CG 3.27Å; M1-R28 VanDerWaalsContact SD-O 3.41Å; M1-L54 HydrophobicContact CB-CB 4.31Å; M1-L54 HydrophobicContact CB-CD2 4.39Å; M1-L54 HydrophobicContact CE-CB 4.36Å; M1-L54 HydrophobicContact CE-CD2 3.52Å; M1-L54 PolarHBondContact O-N 2.84Å; M1-L54 HydrophobicContact SD-CB 4.08Å; M1-L54 HydrophobicContact SD-CD2 4.26Å; M1-M56 HydrophobicContact CB-CG 4.24Å; M1-N76 WeakPolarHBondContact CG-OD1 3.45Å; M1-E78 PolarHBondContact N-OE1 2.98Å; M1-K504 WeakPolarHBondContact CE-O 3.42Å; M1-E505 HydrophobicContact CB-CB 4.33Å; M1-E505 HydrophobicContact CB-CG 4Å; M1-E505 HydrophobicContact CE-CB 4.45Å; M1-E505 HydrophobicContact CG-CB 4.48Å; M1-E505 HydrophobicContact CG-CG 4.11Å
2C92.2Very high89.4Confident0 Ų023.3 Ų23.30%013%0.134CC..EExtended strand (participates in β ladder)trans-148.6147.9-177.3-168.40000112.4R28 H52 W75 N76C2-R28 PolarHBondContact O-NE 2.92Å; C2-H52 CarbonylContact C-O 3.57Å; C2-H52 WeakPolarHBondContact CA-O 3.46Å; C2-H52 VanDerWaalsContact SG-C 3.6Å; C2-H52 PolarHBondContact SG-N 3.35Å; C2-H52 PolarHBondContact SG-O 3.42Å; C2-W75 WeakPolarHBondContact CB-O 3.43Å; C2-N76 HydrophobicContact CB-CB 4.08Å; C2-N76 PolarHBondContact N-OD1 3.44Å; C2-N76 VanDerWaalsContact O-CB 3.25Å; C2-N76 WeakPolarHBondContact O-CB 3.39Å; C2-N76 PolarHBondContact O-ND2 3.03Å; C2-N76 PolarHBondContact O-OD1 2.86Å
3G96.9Very high87.2Confident0 Ų025.6 Ų25.60%016%0.158CC..EExtended strand (participates in β ladder)trans-85.9122.1159.300000109.6A51 H52G3-A51 CarbonylContact O-C 3.53Å; G3-A51 VanDerWaalsContact O-CA 3.3Å; G3-A51 WeakPolarHBondContact O-CA 3.08Å; G3-H52 PolarHBondContact N-O 2.85Å; G3-H52 PolarHBondContact O-N 2.91Å
4I97.8Very high85.3Confident0 Ų031.4 Ų31.40%020%0.196CC..EExtended strand (participates in β ladder)trans-103.2138.2-179.5-64.7-179.3000109L25 L74 N76 V122 L143 T155 S156I4-L25 WeakPolarHBondContact O-CD2 3.5Å; I4-L74 HydrophobicContact CD1-CB 4.12Å; I4-L74 HydrophobicContact CG1-CB 4.1Å; I4-L74 HydrophobicContact CG2-CB 4.14Å; I4-L74 HydrophobicContact CG2-CD2 3.85Å; I4-N76 HydrophobicContact CD1-CB 3.64Å; I4-N76 HydrophobicContact CG1-CB 3.97Å; I4-V122 HydrophobicContact CG2-CG2 3.83Å; I4-L143 HydrophobicContact CG2-CD1 4.31Å; I4-T155 CarbonylContact O-C 3.27Å; I4-T155 VanDerWaalsContact O-CA 3.22Å; I4-T155 WeakPolarHBondContact O-CA 3.32Å; I4-T155 PolarHBondContact O-OG1 2.87Å; I4-S156 PolarHBondContact N-OG 3.27Å; I4-S156 PolarHBondContact O-N 3.37Å
5F97.5Very high84.1Confident17 Ų1734.6 Ų34.68%0.07521%0.207CC..EExtended strand (participates in β ladder)trans-140.2133.3163.1174.9-83000110L7 R17 V21 L25 L48 S50 T153 L154F5-L7 HydrophobicContact CE1-CB 3.72Å; F5-L7 HydrophobicContact CZ-CB 3.93Å; F5-R17 HydrophobicContact CE1-CG 4.32Å; F5-R17 HydrophobicContact CZ-CG 4.39Å; F5-V21 HydrophobicContact CD2-CG1 4.18Å; F5-V21 HydrophobicContact CE2-CG1 4.44Å; F5-L25 HydrophobicContact CB-CD1 3.69Å; F5-L25 HydrophobicContact CD2-CD1 4.32Å; F5-L25 HydrophobicContact CG-CD1 4.35Å; F5-L48 HydrophobicContact CE1-CD2 4.49Å; F5-S50 PolarHBondContact N-O 3.24Å; F5-S50 PolarHBondContact O-N 3.44Å; F5-T153 HydrophobicContact CD2-CG2 4.2Å; F5-T153 HydrophobicContact CE2-CG2 3.58Å; F5-T153 HydrophobicContact CZ-CG2 3.99Å; F5-L154 CarbonylContact C-O 3.52Å; F5-L154 WeakPolarHBondContact CA-O 3.32Å
6C96.4Very high82.8Confident0 Ų044.5 Ų44.50%025%0.251CS..EExtended strand (participates in β ladder)trans-140118.1178164.10000108.5C47 L48 L49 V122 T153 L154C6-C47 PolarHBondContact SG-SG 3.08Å; C6-L48 CarbonylContact C-O 3.58Å; C6-L48 VanDerWaalsContact CA-O 3.3Å; C6-L48 WeakPolarHBondContact CA-O 3.33Å; C6-L49 HydrophobicContact CB-CD2 3.75Å; C6-V122 HydrophobicContact CB-CG1 4.14Å; C6-V122 HydrophobicContact CB-CG2 4.38Å; C6-T153 CarbonylContact O-C 3.45Å; C6-T153 WeakPolarHBondContact O-CA 3.33Å; C6-L154 HydrophobicContact CB-CB 4.15Å; C6-L154 PolarHBondContact N-O 2.98Å; C6-L154 PolarHBondContact O-N 3.4Å
7L94.6Very high82.2Confident10 Ų1044.6 Ų44.65%0.05225%0.246CC..EExtended strand (participates in β ladder)trans-111.1114.1172.4171.567000108.8F5 E15 C47 L48 T153F5-L7 HydrophobicContact CE1-CB 3.72Å; F5-L7 HydrophobicContact CZ-CB 3.93Å; L7-E15 HydrophobicContact CD2-CB 3.86Å; L7-E15 HydrophobicContact CD2-CG 4.49Å; L7-E15 WeakPolarHBondContact CD2-OE2 3.3Å; L7-C47 CarbonylContact O-C 3.52Å; L7-C47 VanDerWaalsContact O-CA 3.26Å; L7-C47 WeakPolarHBondContact O-CA 3.22Å; L7-L48 HydrophobicContact CB-CB 4.33Å; L7-L48 PolarHBondContact N-O 3.32Å; L7-L48 PolarHBondContact O-N 2.86Å; L7-T153 WeakPolarHBondContact CD1-OG1 3.27Å
8L94.1Very high82Confident0 Ų044.9 Ų44.90%025%0.248CC..EExtended strand (participates in β ladder)trans-95.2124.2169174.362.9000108.6Y45 R46 C47 T151 M152 V180 L182 F185L8-Y45 HydrophobicContact CD1-CD2 3.98Å; L8-Y45 HydrophobicContact CD1-CG 4.37Å; L8-R46 WeakPolarHBondContact CA-O 3.35Å; L8-C47 HydrophobicContact CD1-CB 4.37Å; L8-T151 CarbonylContact O-C 3.55Å; L8-T151 WeakPolarHBondContact O-CA 3.17Å; L8-M152 HydrophobicContact CB-CB 4.33Å; L8-M152 HydrophobicContact CD2-CE 4.22Å; L8-M152 PolarHBondContact N-O 3Å; L8-M152 PolarHBondContact O-N 2.9Å; L8-V180 HydrophobicContact CD2-CG1 4.22Å; L8-L182 HydrophobicContact CD1-CD2 3.7Å; L8-L182 HydrophobicContact CD2-CD2 3.66Å; L8-L182 HydrophobicContact CG-CD2 4.34Å; L8-F185 HydrophobicContact CD1-CD1 3.92Å; L8-F185 HydrophobicContact CD1-CE1 3.77Å; L8-F185 HydrophobicContact CD2-CD1 3.91Å; L8-F185 HydrophobicContact CD2-CD2 4.22Å; L8-F185 HydrophobicContact CD2-CE1 4Å; L8-F185 HydrophobicContact CD2-CE2 4.29Å; L8-F185 HydrophobicContact CD2-CG 4.01Å; L8-F185 HydrophobicContact CD2-CZ 4.17Å; L8-F185 HydrophobicContact CG-CD1 3.9Å; L8-F185 HydrophobicContact CG-CE1 3.55Å; L8-F185 HydrophobicContact CG-CE2 4.42Å; L8-F185 HydrophobicContact CG-CG 4.47Å; L8-F185 HydrophobicContact CG-CZ 3.82Å
9S92.3Very high81.9Confident5 Ų548.5 Ų48.54%0.03526%0.262CS..EExtended strand (participates in β ladder)trans-137.5153.7179.967.50000111.8S11 Y45 R46 G150S9-S11 PolarHBondContact OG-O 2.74Å; S9-Y45 CarbonylContact O-C 3.55Å; S9-Y45 WeakPolarHBondContact O-CA 3.41Å; S9-R46 PolarHBondContact N-O 3.28Å; S9-R46 PolarHBondContact O-N 2.78Å; S9-G150 WeakPolarHBondContact CA-O 3.36Å
10R87.1Confident82Confident111 Ų11147.7 Ų47.742%0.41926%0.263SS..SBendtrans-78.3-23.4167-65.5-174.779.8157.63.6113.1G150 F185 A186 R187 S188R10-G150 PolarHBondContact N-O 3.46Å; R10-G150 VanDerWaalsContact N-O 3.14Å; R10-F185 HydrophobicContact CG-CE1 3.91Å; R10-F185 HydrophobicContact CG-CZ 4Å; R10-A186 PolarHBondContact NH2-O 2.92Å; R10-R187 PolarHBondContact NH2-O 2.78Å; R10-S188 PolarHBondContact NH1-O 3.16Å
11S75.3Confident82.3Confident53 Ų5345.8 Ų45.837%0.37125%0.253SS..  trans-77.3133-177-175.70000111S9 A13S9-S11 PolarHBondContact OG-O 2.74Å; S11-A13 WeakPolarHBondContact OG-CB 3.32Å; S11-A13 PolarHBondContact OG-N 3.44Å; S11-A13 VanDerWaalsContact OG-N 3.13Å
12A60.8Low82.4Confident74 Ų7446.7 Ų46.761%0.61226%0.257SS*.SBendtrans-72.3-20.1169.100000112.2R46A12-R46 PolarHBondContact O-NH1 2.94Å
13A61Low82.4Confident53 Ų5350.3 Ų50.344%0.43827%0.274SS..SBendtrans-65.4139.1-179.800000110.6S11 E15S11-A13 WeakPolarHBondContact OG-CB 3.32Å; S11-A13 PolarHBondContact OG-N 3.44Å; S11-A13 VanDerWaalsContact OG-N 3.13Å; A13-E15 PolarHBondContact O-N 3.49Å
14P60.3Low82.3Confident106 Ų10650.8 Ų50.869%0.68828%0.278SS*.PPolyproline II helixtrans-62.1121.8170.2-7.821.2000109
15E66.8Low82.2Confident80 Ų8050.9 Ų50.937%0.37428%0.278SS..PPolyproline II helixtrans-82.9132.1164.6-75.5-177.5-168.800108.9L7 A13L7-E15 HydrophobicContact CD2-CB 3.86Å; L7-E15 HydrophobicContact CD2-CG 4.49Å; L7-E15 WeakPolarHBondContact CD2-OE2 3.3Å; A13-E15 PolarHBondContact O-N 3.49Å
16E63.5Low82.2Confident193 Ų19353.6 Ų53.690%0.90229%0.291SS*.PPolyproline II helixtrans-68.9131.5175.5-164.7171.1-16600109.5
17R73.3Confident82.1Confident46 Ų4657.5 Ų57.517%0.17431%0.306CS..PPolyproline II helixtrans-75.7137.4178.5-66-176.5-170165.83.4109.3F5 Q19 D35 L48 S50F5-R17 HydrophobicContact CE1-CG 4.32Å; F5-R17 HydrophobicContact CZ-CG 4.39Å; R17-Q19 PolarHBondContact O-N 3.12Å; R17-Q19 VanDerWaalsContact O-N 3.08Å; R17-D35 IonicContact CZ-OD1 3.23Å; R17-D35 VanDerWaalsContact CZ-OD1 3.24Å; R17-D35 IonicContact CZ-OD2 3.65Å; R17-D35 IonicContact NH1-OD1 2.77Å; R17-D35 PolarHBondContact NH1-OD1 2.98Å; R17-D35 IonicContact NH1-OD2 3.74Å; R17-D35 PolarHBondContact NH1-OD2 2.87Å; R17-D35 IonicContact NH2-OD1 3.83Å; R17-D35 PolarHBondContact NH2-OD1 2.84Å; R17-D35 IonicContact NH2-OD2 2.63Å; R17-D35 PolarHBondContact NH2-OD2 2.99Å; R17-L48 HydrophobicContact CG-CD2 4.45Å; R17-L48 VanDerWaalsContact NH2-CD1 3.29Å; R17-L48 VanDerWaalsContact NH2-CG 3.25Å; R17-S50 PolarHBondContact NH1-OG 3.36Å
18D78.6Confident82.2Confident50 Ų5057 Ų5727%0.26730%0.303SS..  trans-62.5114169.9-171.6-16.1000109.2A20 V21 L22D18-A20 PolarHBondContact O-N 3.35Å; D18-A20 VanDerWaalsContact O-N 3.15Å; D18-A20 VanDerWaalsContact OD1-CB 3.26Å; D18-A20 WeakPolarHBondContact OD1-CB 3.49Å; D18-A20 PolarHBondContact OD1-N 3.21Å; D18-V21 HydrophobicContact CB-CG2 4.16Å; D18-V21 WeakPolarHBondContact O-CA 3.32Å; D18-V21 WeakPolarHBondContact O-CB 3.24Å; D18-V21 PolarHBondContact O-N 3.34Å; D18-L22 PolarHBondContact O-N 3.05Å; D18-L22 VanDerWaalsContact O-N 3.12Å
19Q80.1Confident82.4Confident113 Ų11357 Ų5753%0.52830%0.303SS..Hα-helixtrans-57.7-28.8179.9-172.961.518.400111.8R17 V21 L22 E23R17-Q19 PolarHBondContact O-N 3.12Å; R17-Q19 VanDerWaalsContact O-N 3.08Å; Q19-V21 PolarHBondContact O-N 3.39Å; Q19-L22 PolarHBondContact O-N 3.43Å; Q19-E23 PolarHBondContact O-N 3.29Å
20A82.9Confident82.6Confident33 Ų3360.5 Ų60.527%0.27333%0.326SS..Hα-helixtrans-68-19.6176.400000112.9D18 P24 A159D18-A20 PolarHBondContact O-N 3.35Å; D18-A20 VanDerWaalsContact O-N 3.15Å; D18-A20 VanDerWaalsContact OD1-CB 3.26Å; D18-A20 WeakPolarHBondContact OD1-CB 3.49Å; D18-A20 PolarHBondContact OD1-N 3.21Å; A20-P24 WeakPolarHBondContact O-CD 3.43Å; A20-P24 WeakPolarHBondContact O-CG 3.4Å; A20-A159 HydrophobicContact CB-CB 3.52Å; A20-A159 WeakPolarHBondContact O-CB 3.34Å
21V88.6Confident83Confident8 Ų858.2 Ų58.25%0.04832%0.321CS..Hα-helixtrans-90.5-38.7170.7177.30000111F5 D18 Q19 P24 L25 V157 A159F5-V21 HydrophobicContact CD2-CG1 4.18Å; F5-V21 HydrophobicContact CE2-CG1 4.44Å; D18-V21 HydrophobicContact CB-CG2 4.16Å; D18-V21 WeakPolarHBondContact O-CA 3.32Å; D18-V21 WeakPolarHBondContact O-CB 3.24Å; D18-V21 PolarHBondContact O-N 3.34Å; Q19-V21 PolarHBondContact O-N 3.39Å; V21-P24 WeakPolarHBondContact O-CD 3.24Å; V21-L25 HydrophobicContact CG1-CD1 3.88Å; V21-L25 HydrophobicContact CG1-CG 4.47Å; V21-L25 VanDerWaalsContact O-CG 3.28Å; V21-L25 WeakPolarHBondContact O-CG 3.44Å; V21-L25 PolarHBondContact O-N 3.13Å; V21-V157 HydrophobicContact CG1-CG2 4.47Å; V21-A159 HydrophobicContact CG2-CB 3.66Å
22L91Very high84.1Confident29 Ų2956.5 Ų56.515%0.15231%0.31CS..Hα-helixtrans-66.9-43.5-176-174.661.1000113.1D18 Q19 L25 Q26D18-L22 PolarHBondContact O-N 3.05Å; D18-L22 VanDerWaalsContact O-N 3.12Å; Q19-L22 PolarHBondContact O-N 3.43Å; L22-L25 WeakPolarHBondContact O-CB 3.29Å; L22-L25 PolarHBondContact O-N 2.88Å; L22-Q26 HydrophobicContact CD1-CG 4.37Å; L22-Q26 HydrophobicContact CG-CG 4.45Å; L22-Q26 WeakPolarHBondContact O-CG 3.43Å; L22-Q26 PolarHBondContact O-N 3.1Å
23E92.7Very high85.8Confident75 Ų7555.8 Ų55.835%0.3530%0.3SS..Hα-helixtrans-61.2-50.2-178.1-177.2-157.9153.700111.9Q19 L25 Q26 R27 R402Q19-E23 PolarHBondContact O-N 3.29Å; E23-L25 VanDerWaalsContact C-N 3.26Å; E23-L25 PolarHBondContact O-N 3.47Å; E23-Q26 PolarHBondContact O-N 3.4Å; E23-R27 WeakPolarHBondContact O-CG 3.31Å; E23-R27 PolarHBondContact O-N 3.35Å; E23-R402 IonicContact OE1-CZ 2.72Å; E23-R402 VanDerWaalsContact OE1-CZ 3.23Å; E23-R402 IonicContact OE1-NH1 3.07Å; E23-R402 PolarHBondContact OE1-NH1 3.25Å; E23-R402 IonicContact OE1-NH2 3.96Å; E23-R402 PolarHBondContact OE1-NH2 3.32Å
24P93.8Very high87.5Confident11 Ų1160.1 Ų60.17%0.07131%0.305CS..Hα-helixtrans-62.1-31.5176.7-2435.2000113.7A20 V21 R27 R28 V157 L406A20-P24 WeakPolarHBondContact O-CD 3.43Å; A20-P24 WeakPolarHBondContact O-CG 3.4Å; V21-P24 WeakPolarHBondContact O-CD 3.24Å; P24-R27 PolarHBondContact O-N 3.45Å; P24-R28 WeakPolarHBondContact O-CB 3.37Å; P24-R28 PolarHBondContact O-N 2.8Å; P24-V157 HydrophobicContact CB-CB 4.38Å; P24-V157 HydrophobicContact CB-CG2 3.89Å; P24-L406 HydrophobicContact CB-CD2 4.11Å
25L96.2Very high89.2Confident1 Ų159.3 Ų59.31%0.00530%0.295CS..Hα-helixtrans-64.8-45.2173.8-72.3169.9000111.9I4 F5 V21 L22 E23 R27 R28 G29 H52 V157I4-L25 WeakPolarHBondContact O-CD2 3.5Å; F5-L25 HydrophobicContact CB-CD1 3.69Å; F5-L25 HydrophobicContact CD2-CD1 4.32Å; F5-L25 HydrophobicContact CG-CD1 4.35Å; V21-L25 HydrophobicContact CG1-CD1 3.88Å; V21-L25 HydrophobicContact CG1-CG 4.47Å; V21-L25 VanDerWaalsContact O-CG 3.28Å; V21-L25 WeakPolarHBondContact O-CG 3.44Å; V21-L25 PolarHBondContact O-N 3.13Å; L22-L25 WeakPolarHBondContact O-CB 3.29Å; L22-L25 PolarHBondContact O-N 2.88Å; E23-L25 VanDerWaalsContact C-N 3.26Å; E23-L25 PolarHBondContact O-N 3.47Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 PolarHBondContact O-N 3.29Å; L25-R28 WeakPolarHBondContact O-CB 3.37Å; L25-R28 PolarHBondContact O-N 3.27Å; L25-G29 PolarHBondContact O-N 3.18Å; L25-G29 VanDerWaalsContact O-N 3.13Å; L25-H52 VanDerWaalsContact CB-CD2 3.48Å; L25-H52 WeakPolarHBondContact CB-CD2 3.39Å; L25-H52 WeakPolarHBondContact O-CB 3.32Å; L25-V157 HydrophobicContact CB-CG2 4.48Å; L25-V157 HydrophobicContact CD2-CG2 3.58Å; L25-V157 HydrophobicContact CG-CG2 3.52Å
26Q96.3Very high90.6Very high75 Ų7556.9 Ų56.935%0.3529%0.286SS..Hα-helixtrans-64.1-38177.1-71.9173.5-20.500112L22 E23 R28 G29 P30 H52L22-Q26 HydrophobicContact CD1-CG 4.37Å; L22-Q26 HydrophobicContact CG-CG 4.45Å; L22-Q26 WeakPolarHBondContact O-CG 3.43Å; L22-Q26 PolarHBondContact O-N 3.1Å; E23-Q26 PolarHBondContact O-N 3.4Å; Q26-R28 VanDerWaalsContact C-N 3.31Å; Q26-R28 PolarHBondContact O-N 3.24Å; Q26-G29 CarbonylContact O-C 3.54Å; Q26-G29 PolarHBondContact O-N 3.46Å; Q26-P30 WeakPolarHBondContact O-CA 3.44Å; Q26-H52 WeakPolarHBondContact CG-ND1 3.47Å
27R95.9Very high92Very high81 Ų8150.5 Ų50.531%0.30626%0.262SS..Hα-helixtrans-67.2-34.1175.3-68.3174.760.475.510.8112.6E23 P24 L25 G29 D501 G503E23-R27 WeakPolarHBondContact O-CG 3.31Å; E23-R27 PolarHBondContact O-N 3.35Å; P24-R27 PolarHBondContact O-N 3.45Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 PolarHBondContact O-N 3.29Å; R27-G29 VanDerWaalsContact C-N 3.32Å; R27-D501 WeakPolarHBondContact CD-OD1 3.32Å; R27-D501 VanDerWaalsContact CZ-O 3.29Å; R27-D501 IonicContact CZ-OD1 3.83Å; R27-D501 PolarHBondContact NE-O 3.36Å; R27-D501 VanDerWaalsContact NE-O 3.09Å; R27-D501 IonicContact NE-OD1 3.24Å; R27-D501 PolarHBondContact NE-OD1 3.12Å; R27-D501 IonicContact NE-OD2 3.86Å; R27-D501 PolarHBondContact NH2-O 3.29Å; R27-D501 IonicContact NH2-OD2 2.91Å; R27-G503 VanDerWaalsContact O-CA 3.28Å; R27-G503 WeakPolarHBondContact O-CA 3.25Å; R27-G503 PolarHBondContact O-N 2.73Å
28R96.5Very high92.9Very high1 Ų149 Ų490%0.00426%0.259CS..Hα-helixtrans-63.4-37.6172.9-178177.8178.687.39.9112.6M1 C2 P24 L25 Q26 N76 D496 G500M1-R28 HydrophobicContact CE-CG 3.91Å; M1-R28 WeakPolarHBondContact CE-O 3.45Å; M1-R28 HydrophobicContact SD-CG 3.44Å; M1-R28 WeakPolarHBondContact SD-CG 3.27Å; M1-R28 VanDerWaalsContact SD-O 3.41Å; C2-R28 PolarHBondContact O-NE 2.92Å; P24-R28 WeakPolarHBondContact O-CB 3.37Å; P24-R28 PolarHBondContact O-N 2.8Å; L25-R28 WeakPolarHBondContact O-CB 3.37Å; L25-R28 PolarHBondContact O-N 3.27Å; Q26-R28 VanDerWaalsContact C-N 3.31Å; Q26-R28 PolarHBondContact O-N 3.24Å; R28-N76 PolarHBondContact NH2-ND2 3.07Å; R28-N76 PolarHBondContact NH2-OD1 3.01Å; R28-D496 IonicContact CZ-OD1 2.78Å; R28-D496 IonicContact CZ-OD2 3.66Å; R28-D496 VanDerWaalsContact CZ-OD2 3.26Å; R28-D496 PolarHBondContact NH1-O 2.85Å; R28-D496 IonicContact NH1-OD1 3.22Å; R28-D496 IonicContact NH1-OD2 3.41Å; R28-D496 PolarHBondContact NH1-OD2 3.35Å; R28-D496 VanDerWaalsContact NH1-OD2 3.11Å; R28-D496 IonicContact NH2-OD1 3.29Å; R28-D496 PolarHBondContact NH2-OD1 2.73Å; R28-D496 IonicContact NH2-OD2 3.41Å; R28-D496 PolarHBondContact NH2-OD2 3.31Å; R28-G500 WeakPolarHBondContact CA-O 3.31Å
29G97.1Very high93.5Very high0 Ų049.9 Ų49.90%027%0.265CS..  trans-134.180.7178.900000113.4L25 Q26 R27 D31 H52 V53L25-G29 PolarHBondContact O-N 3.18Å; L25-G29 VanDerWaalsContact O-N 3.13Å; Q26-G29 CarbonylContact O-C 3.54Å; Q26-G29 PolarHBondContact O-N 3.46Å; R27-G29 VanDerWaalsContact C-N 3.32Å; G29-D31 VanDerWaalsContact C-N 3.33Å; G29-D31 PolarHBondContact O-N 3.47Å; G29-H52 WeakPolarHBondContact CA-O 3.29Å; G29-H52 CarbonylContact O-C 3.51Å; G29-V53 CarbonylContact C-O 3.6Å; G29-V53 VanDerWaalsContact CA-O 3.27Å; G29-V53 WeakPolarHBondContact CA-O 3.3Å; G29-V53 PolarHBondContact O-N 3.08Å
30P96.3Very high93.7Very high78 Ų7844.7 Ų44.751%0.50624%0.242SC..THydrogen-bonded Turntrans-77.9-12.9-173.331-36.2000114.2Q26 L54Q26-P30 WeakPolarHBondContact O-CA 3.44Å; P30-L54 HydrophobicContact CG-CD1 4.14Å
31D96.9Very high93.4Very high62 Ų6247.2 Ų47.233%0.33226%0.255SS..THydrogen-bonded Turntrans-82.7-25.6-169.7-61.6-42000112.8G29 V53 H55 L60 K446G29-D31 VanDerWaalsContact C-N 3.33Å; G29-D31 PolarHBondContact O-N 3.47Å; D31-V53 WeakPolarHBondContact CB-O 3.28Å; D31-V53 PolarHBondContact N-O 2.96Å; D31-H55 HydrophobicContact CB-CB 4.23Å; D31-H55 WeakPolarHBondContact OD2-CB 3.45Å; D31-H55 PolarHBondContact OD2-N 3.16Å; D31-L60 HydrophobicContact CB-CD1 4.24Å; D31-K446 IonicContact OD1-NZ 3.53Å; D31-K446 IonicContact OD2-NZ 2.91Å; D31-K446 PolarHBondContact OD2-NZ 3.26Å
32S97.3Very high93Very high17 Ų1753.9 Ų53.912%0.11929%0.29CS..EExtended strand (participates in β ladder)trans-159.5138.4173.3169.20000110.9H52 V53S32-H52 CarbonylContact O-C 3.46Å; S32-H52 VanDerWaalsContact O-CA 3.28Å; S32-H52 WeakPolarHBondContact O-CA 3.45Å; S32-V53 PolarHBondContact N-O 3Å; S32-V53 PolarHBondContact O-N 3.29Å
33S97.1Very high92.4Very high59 Ų5956.2 Ų56.241%0.41331%0.309SS..EExtended strand (participates in β ladder)trans-130.3125.8173.5-68.20000110.2A51 H52S33-A51 WeakPolarHBondContact CA-O 3.39Å; S33-H52 WeakPolarHBondContact CB-ND1 3.35Å; S33-H52 PolarHBondContact OG-ND1 3.45Å
34R96.6Very high92Very high144 Ų14454 Ų5454%0.54331%0.306SS..EExtended strand (participates in β ladder)trans-145.4158.5177.1-59.1-175178.8-177.4-0.8112.3S50 A51 Q63 P64R34-S50 WeakPolarHBondContact O-CA 3.22Å; R34-A51 PolarHBondContact N-O 3.49Å; R34-A51 PolarHBondContact O-N 2.9Å; R34-Q63 WeakPolarHBondContact CB-O 3.27Å; R34-P64 VanDerWaalsContact O-CD 3.28Å; R34-P64 WeakPolarHBondContact O-CD 3.27Å
35D95.3Very high91.9Very high89 Ų8953.8 Ų53.848%0.47630%0.304SS..EExtended strand (participates in β ladder)trans-120.9144176.8-67.1-25.7000111.1R17 L49 S50R17-D35 IonicContact CZ-OD1 3.23Å; R17-D35 VanDerWaalsContact CZ-OD1 3.24Å; R17-D35 IonicContact CZ-OD2 3.65Å; R17-D35 IonicContact NH1-OD1 2.77Å; R17-D35 PolarHBondContact NH1-OD1 2.98Å; R17-D35 IonicContact NH1-OD2 3.74Å; R17-D35 PolarHBondContact NH1-OD2 2.87Å; R17-D35 IonicContact NH2-OD1 3.83Å; R17-D35 PolarHBondContact NH2-OD1 2.84Å; R17-D35 IonicContact NH2-OD2 2.63Å; R17-D35 PolarHBondContact NH2-OD2 2.99Å; D35-L49 CarbonylContact C-O 3.53Å; D35-L49 VanDerWaalsContact CA-O 3.31Å; D35-L49 WeakPolarHBondContact CA-O 3.48Å; D35-S50 WeakPolarHBondContact OD1-CB 3.42Å; D35-S50 PolarHBondContact OD1-OG 3.07Å
36V95.5Very high91.7Very high30 Ų3056.2 Ų56.218%0.18231%0.313CS..EExtended strand (participates in β ladder)trans-132.4128.6168.9176.60000107.7V38 L49 P64 V72V36-V38 HydrophobicContact CG1-CG1 4.15Å; V36-L49 HydrophobicContact CB-CB 4.47Å; V36-L49 PolarHBondContact N-O 2.86Å; V36-L49 WeakPolarHBondContact O-CA 3.18Å; V36-L49 WeakPolarHBondContact O-CB 2.76Å; V36-L49 PolarHBondContact O-N 3.31Å; V36-P64 HydrophobicContact CB-CB 4.27Å; V36-P64 HydrophobicContact CB-CG 4.21Å; V36-P64 HydrophobicContact CG2-CB 3.97Å; V36-P64 HydrophobicContact CG2-CG 4.08Å; V36-V72 HydrophobicContact CG1-CG1 4.45Å; V36-V72 HydrophobicContact CG1-CG2 4.22Å
37S93.3Very high91.6Very high59 Ų5952.6 Ų52.641%0.41330%0.296SS..EExtended strand (participates in β ladder)trans-103.8130.3169.1-71.60000109.3R46 C47 L48S37-R46 PolarHBondContact OG-NH2 3.47Å; S37-C47 WeakPolarHBondContact CA-O 3.39Å; S37-L48 WeakPolarHBondContact OG-CD1 3.38Å
38V92.9Very high91.5Very high15 Ų1549.8 Ų49.89%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-116.9141169.8-58.70000109.5V36 R46 C47 L49 V72V36-V38 HydrophobicContact CG1-CG1 4.15Å; V38-R46 CarbonylContact O-C 3.59Å; V38-R46 WeakPolarHBondContact O-CA 3.46Å; V38-C47 HydrophobicContact CG2-CB 3.59Å; V38-C47 PolarHBondContact N-O 2.73Å; V38-C47 PolarHBondContact O-N 2.79Å; V38-L49 HydrophobicContact CG2-CD1 4.33Å; V38-V72 HydrophobicContact CG1-CG2 3.93Å
39T90.9Very high91.6Very high67 Ų6749.8 Ų49.841%0.41129%0.287SS..EExtended strand (participates in β ladder)trans-121.3146.817750.80000109.9Y45 R46 R126T39-Y45 WeakPolarHBondContact CA-O 3.36Å; T39-R46 HydrophobicContact CG2-CB 4.39Å; T39-R46 HydrophobicContact CG2-CG 4.24Å; T39-R126 PolarHBondContact O-NH1 3.41Å
40G84.6Confident91.5Very high4 Ų449.8 Ų49.84%0.04129%0.287CS..  trans-59.6159.917200000112.2D42 S43 Y45G40-D42 PolarHBondContact O-N 3.01Å; G40-S43 PolarHBondContact O-N 3.23Å; G40-Y45 PolarHBondContact N-O 2.89Å
41T76.9Confident91.6Very high87 Ų8746 Ų4653%0.53426%0.263SS..THydrogen-bonded Turntrans-53.4-40.6178.751.30000112.4E129T41-E129 PolarHBondContact N-OE1 3.13Å
42D79.3Confident91.7Very high148 Ų14843.2 Ų43.279%0.79125%0.248SC*.THydrogen-bonded Turntrans-98.213.7-179.5-54.2-33.8000112.7G40 G44G40-D42 PolarHBondContact O-N 3.01Å; D42-G44 PolarHBondContact O-N 3Å
43S77.9Confident91.7Very high78 Ų7842.8 Ų42.855%0.54524%0.244SC..SBendtrans56.117.9-173.7-55.40000115.2G40 Y45G40-S43 PolarHBondContact O-N 3.23Å; S43-Y45 PolarHBondContact O-N 3.05Å
44G85.1Confident91.7Very high29 Ų2940.1 Ų40.130%0.29923%0.225SC..SBendtrans-72.4-11.217900000114.7D42 A186D42-G44 PolarHBondContact O-N 3Å; G44-A186 WeakPolarHBondContact O-CB 3.23Å
45Y91.3Very high91.6Very high5 Ų535.4 Ų35.42%0.0221%0.21CC..  trans-144.1156.9169.172.3-92.8000111L8 S9 T39 G40 S43 H124 E129 L182 A186L8-Y45 HydrophobicContact CD1-CD2 3.98Å; L8-Y45 HydrophobicContact CD1-CG 4.37Å; S9-Y45 CarbonylContact O-C 3.55Å; S9-Y45 WeakPolarHBondContact O-CA 3.41Å; T39-Y45 WeakPolarHBondContact CA-O 3.36Å; G40-Y45 PolarHBondContact N-O 2.89Å; S43-Y45 PolarHBondContact O-N 3.05Å; Y45-H124 PolarHBondContact OH-NE2 3Å; Y45-E129 WeakPolarHBondContact CE1-OE1 3.46Å; Y45-E129 PolarHBondContact OH-OE1 3.22Å; Y45-L182 HydrophobicContact CD1-CB 3.86Å; Y45-L182 WeakPolarHBondContact CD1-O 3.49Å; Y45-L182 HydrophobicContact CD2-CB 4.39Å; Y45-L182 HydrophobicContact CD2-CD1 4.47Å; Y45-L182 HydrophobicContact CE1-CB 3.53Å; Y45-L182 HydrophobicContact CE1-CD1 4.44Å; Y45-L182 HydrophobicContact CE2-CB 4.12Å; Y45-L182 HydrophobicContact CE2-CD1 3.73Å; Y45-L182 HydrophobicContact CE2-CG 4.38Å; Y45-L182 HydrophobicContact CG-CB 4.29Å; Y45-A186 HydrophobicContact CD1-CB 4.18Å
46R92.9Very high91.5Very high52 Ų5231.4 Ų31.420%0.19619%0.188CC..EExtended strand (participates in β ladder)trans-127.9137.6168.4-178.5176.8-179.5172.3-0.7108.9L8 S9 A12 S37 V38 T39L8-R46 WeakPolarHBondContact CA-O 3.35Å; S9-R46 PolarHBondContact N-O 3.28Å; S9-R46 PolarHBondContact O-N 2.78Å; A12-R46 PolarHBondContact O-NH1 2.94Å; S37-R46 PolarHBondContact OG-NH2 3.47Å; V38-R46 CarbonylContact O-C 3.59Å; V38-R46 WeakPolarHBondContact O-CA 3.46Å; T39-R46 HydrophobicContact CG2-CB 4.39Å; T39-R46 HydrophobicContact CG2-CG 4.24Å
47C93.9Very high91.3Very high0 Ų031.7 Ų31.70%019%0.186CC..EExtended strand (participates in β ladder)trans-122115.5171-174.80000109.4C6 L7 L8 S37 V38 L49C6-C47 PolarHBondContact SG-SG 3.08Å; L7-C47 CarbonylContact O-C 3.52Å; L7-C47 VanDerWaalsContact O-CA 3.26Å; L7-C47 WeakPolarHBondContact O-CA 3.22Å; L8-C47 HydrophobicContact CD1-CB 4.37Å; S37-C47 WeakPolarHBondContact CA-O 3.39Å; V38-C47 HydrophobicContact CG2-CB 3.59Å; V38-C47 PolarHBondContact N-O 2.73Å; V38-C47 PolarHBondContact O-N 2.79Å; C47-L49 VanDerWaalsContact SG-CD2 3.5Å
48L94.8Very high91.1Very high22 Ų2229.9 Ų29.912%0.11518%0.177CC..EExtended strand (participates in β ladder)trans-94.4112.3173.9177.963.8000108.8F5 C6 L7 R17 S37F5-L48 HydrophobicContact CE1-CD2 4.49Å; C6-L48 CarbonylContact C-O 3.58Å; C6-L48 VanDerWaalsContact CA-O 3.3Å; C6-L48 WeakPolarHBondContact CA-O 3.33Å; L7-L48 HydrophobicContact CB-CB 4.33Å; L7-L48 PolarHBondContact N-O 3.32Å; L7-L48 PolarHBondContact O-N 2.86Å; R17-L48 HydrophobicContact CG-CD2 4.45Å; R17-L48 VanDerWaalsContact NH2-CD1 3.29Å; R17-L48 VanDerWaalsContact NH2-CG 3.25Å; S37-L48 WeakPolarHBondContact OG-CD1 3.38Å
49L96.7Very high91.1Very high0 Ų036 Ų360%021%0.208CC..EExtended strand (participates in β ladder)trans-108127-177.5-62.6168.8000109C6 D35 V36 V38 C47 P64 V72 L74 V122 H124C6-L49 HydrophobicContact CB-CD2 3.75Å; D35-L49 CarbonylContact C-O 3.53Å; D35-L49 VanDerWaalsContact CA-O 3.31Å; D35-L49 WeakPolarHBondContact CA-O 3.48Å; V36-L49 HydrophobicContact CB-CB 4.47Å; V36-L49 PolarHBondContact N-O 2.86Å; V36-L49 WeakPolarHBondContact O-CA 3.18Å; V36-L49 WeakPolarHBondContact O-CB 2.76Å; V36-L49 PolarHBondContact O-N 3.31Å; V38-L49 HydrophobicContact CG2-CD1 4.33Å; C47-L49 VanDerWaalsContact SG-CD2 3.5Å; L49-P64 HydrophobicContact CB-CB 4.4Å; L49-P64 HydrophobicContact CB-CG 3.9Å; L49-V72 HydrophobicContact CD1-CB 3.73Å; L49-V72 HydrophobicContact CD1-CG1 3.53Å; L49-V72 HydrophobicContact CD1-CG2 4.29Å; L49-L74 HydrophobicContact CB-CD1 4.02Å; L49-L74 HydrophobicContact CB-CD2 4.29Å; L49-L74 HydrophobicContact CD1-CD1 4.18Å; L49-L74 HydrophobicContact CD2-CD1 3.77Å; L49-L74 HydrophobicContact CD2-CD2 4.4Å; L49-L74 HydrophobicContact CG-CD1 4.2Å; L49-V122 HydrophobicContact CD2-CG1 4.24Å; L49-H124 HydrophobicContact CD1-CB 4.39Å
50S97.1Very high91.2Very high0 Ų036.4 Ų36.40%021%0.208CC..EExtended strand (participates in β ladder)trans-133.1135.7179.6179.80000109.8F5 R17 R34 D35 H52 L74F5-S50 PolarHBondContact N-O 3.24Å; F5-S50 PolarHBondContact O-N 3.44Å; R17-S50 PolarHBondContact NH1-OG 3.36Å; R34-S50 WeakPolarHBondContact O-CA 3.22Å; D35-S50 WeakPolarHBondContact OD1-CB 3.42Å; D35-S50 PolarHBondContact OD1-OG 3.07Å; S50-H52 PolarHBondContact OG-NE2 3.22Å; S50-L74 VanDerWaalsContact O-CD2 3.3Å; S50-L74 WeakPolarHBondContact O-CD2 3.16Å
51A97.9Very high91.7Very high0 Ų037 Ų370%021%0.211CC..EExtended strand (participates in β ladder)trans-137.8140.5178.200000111.6G3 S33 R34 Q63 P64 L74G3-A51 CarbonylContact O-C 3.53Å; G3-A51 VanDerWaalsContact O-CA 3.3Å; G3-A51 WeakPolarHBondContact O-CA 3.08Å; S33-A51 WeakPolarHBondContact CA-O 3.39Å; R34-A51 PolarHBondContact N-O 3.49Å; R34-A51 PolarHBondContact O-N 2.9Å; A51-Q63 VanDerWaalsContact CB-C 3.42Å; A51-Q63 HydrophobicContact CB-CB 3.46Å; A51-Q63 VanDerWaalsContact CB-CB 3.46Å; A51-Q63 WeakPolarHBondContact CB-O 3.37Å; A51-P64 HydrophobicContact CB-CG 4.09Å; A51-L74 HydrophobicContact CB-CD2 4.26Å; A51-L74 HydrophobicContact CB-CG 4.34Å
52H97.9Very high92.7Very high3 Ų334.6 Ų34.61%0.01420%0.196CC..EExtended strand (participates in β ladder)trans-125.4108.6-176.7-54.4-87.8000107.9C2 G3 L25 Q26 G29 S32 S33 S50C2-H52 CarbonylContact C-O 3.57Å; C2-H52 WeakPolarHBondContact CA-O 3.46Å; C2-H52 VanDerWaalsContact SG-C 3.6Å; C2-H52 PolarHBondContact SG-N 3.35Å; C2-H52 PolarHBondContact SG-O 3.42Å; G3-H52 PolarHBondContact N-O 2.85Å; G3-H52 PolarHBondContact O-N 2.91Å; L25-H52 VanDerWaalsContact CB-CD2 3.48Å; L25-H52 WeakPolarHBondContact CB-CD2 3.39Å; L25-H52 WeakPolarHBondContact O-CB 3.32Å; Q26-H52 WeakPolarHBondContact CG-ND1 3.47Å; G29-H52 WeakPolarHBondContact CA-O 3.29Å; G29-H52 CarbonylContact O-C 3.51Å; S32-H52 CarbonylContact O-C 3.46Å; S32-H52 VanDerWaalsContact O-CA 3.28Å; S32-H52 WeakPolarHBondContact O-CA 3.45Å; S33-H52 WeakPolarHBondContact CB-ND1 3.35Å; S33-H52 PolarHBondContact OG-ND1 3.45Å; S50-H52 PolarHBondContact OG-NE2 3.22Å
53V98.1Very high93.5Very high8 Ų827.8 Ų27.85%0.04816%0.159CC..EExtended strand (participates in β ladder)trans-94.7131.6-166.9179.20000110.9G29 D31 S32 L60 Q63G29-V53 CarbonylContact C-O 3.6Å; G29-V53 VanDerWaalsContact CA-O 3.27Å; G29-V53 WeakPolarHBondContact CA-O 3.3Å; G29-V53 PolarHBondContact O-N 3.08Å; D31-V53 WeakPolarHBondContact CB-O 3.28Å; D31-V53 PolarHBondContact N-O 2.96Å; S32-V53 PolarHBondContact N-O 3Å; S32-V53 PolarHBondContact O-N 3.29Å; V53-L60 HydrophobicContact CB-CD1 4.48Å; V53-L60 HydrophobicContact CG1-CD1 3.89Å; V53-Q63 HydrophobicContact CG2-CB 3.88Å; V53-Q63 HydrophobicContact CG2-CG 3.99Å
54L96.8Very high94.5Very high2 Ų224.6 Ų24.61%0.0114%0.137CC..PPolyproline II helixtrans-100.6118157.8-179.671.3000107.5M1 P30 M56 K446 G503 E505M1-L54 HydrophobicContact CB-CB 4.31Å; M1-L54 HydrophobicContact CB-CD2 4.39Å; M1-L54 HydrophobicContact CE-CB 4.36Å; M1-L54 HydrophobicContact CE-CD2 3.52Å; M1-L54 PolarHBondContact O-N 2.84Å; M1-L54 HydrophobicContact SD-CB 4.08Å; M1-L54 HydrophobicContact SD-CD2 4.26Å; P30-L54 HydrophobicContact CG-CD1 4.14Å; L54-M56 HydrophobicContact CD2-CG 4.38Å; L54-M56 HydrophobicContact CD2-SD 3.65Å; L54-M56 HydrophobicContact CG-CG 4.29Å; L54-M56 HydrophobicContact CG-SD 3.8Å; L54-M56 WeakPolarHBondContact O-CG 3.26Å; L54-M56 PolarHBondContact O-N 2.99Å; L54-K446 HydrophobicContact CD1-CD 4.02Å; L54-G503 VanDerWaalsContact CD1-O 3.28Å; L54-G503 WeakPolarHBondContact CD1-O 3.37Å; L54-G503 VanDerWaalsContact CD2-O 3.32Å; L54-G503 WeakPolarHBondContact CD2-O 3.49Å; L54-E505 HydrophobicContact CD2-CB 4.46Å
55H94.9Very high95.1Very high46 Ų4625 Ų2521%0.21313%0.132CC..PPolyproline II helixtrans-74.6117.4-178.3-179.7-133000111.1D31 R57 G58 L60D31-H55 HydrophobicContact CB-CB 4.23Å; D31-H55 WeakPolarHBondContact OD2-CB 3.45Å; D31-H55 PolarHBondContact OD2-N 3.16Å; H55-R57 PolarHBondContact CD2-O 3.36Å; H55-R57 PolarHBondContact NE2-O 2.92Å; H55-G58 PolarHBondContact CE1-O 3.44Å; H55-G58 VanDerWaalsContact CE1-O 3.31Å; H55-G58 PolarHBondContact NE2-O 3.12Å; H55-L60 HydrophobicContact CB-CD1 4Å; H55-L60 PolarHBondContact NE2-N 3.36Å
56M93.3Very high95.4Very high5 Ų528 Ų283%0.02515%0.146CC..  trans-123.5-18.7-173.9-62.7-57.9-63.400114.3M1 L54 E78 P286 K446 V447 E505M1-M56 HydrophobicContact CB-CG 4.24Å; L54-M56 HydrophobicContact CD2-CG 4.38Å; L54-M56 HydrophobicContact CD2-SD 3.65Å; L54-M56 HydrophobicContact CG-CG 4.29Å; L54-M56 HydrophobicContact CG-SD 3.8Å; L54-M56 WeakPolarHBondContact O-CG 3.26Å; L54-M56 PolarHBondContact O-N 2.99Å; M56-E78 WeakPolarHBondContact CB-OE1 3.37Å; M56-P286 WeakPolarHBondContact O-CD 3.41Å; M56-P286 WeakPolarHBondContact O-CG 3.48Å; M56-K446 HydrophobicContact CE-CB 4.17Å; M56-K446 HydrophobicContact SD-CB 3.97Å; M56-K446 HydrophobicContact SD-CD 4.24Å; M56-V447 HydrophobicContact CE-CG2 3.46Å; M56-V447 VanDerWaalsContact CE-CG2 3.46Å; M56-E505 HydrophobicContact CE-CB 3.9Å; M56-E505 WeakPolarHBondContact CE-OE2 3.4Å; M56-E505 VanDerWaalsContact CG-OE2 3.3Å; M56-E505 WeakPolarHBondContact CG-OE2 3.39Å; M56-E505 HydrophobicContact SD-CB 4.39Å
57R90.9Very high95.6Very high35 Ų3526.3 Ų26.313%0.13214%0.141CC..SBendtrans-164.1162.5178.167.3-176.2-57.9167.12.6113H55 E78 I79 N90H55-R57 PolarHBondContact CD2-O 3.36Å; H55-R57 PolarHBondContact NE2-O 2.92Å; R57-E78 WeakPolarHBondContact CD-OE2 3.37Å; R57-I79 PolarHBondContact NH1-O 2.96Å; R57-N90 PolarHBondContact O-ND2 2.94Å; R57-N90 VanDerWaalsContact O-ND2 3.12Å
58G90.1Very high95.6Very high22 Ų2230.9 Ų30.923%0.22718%0.179CC..SBendtrans55.4-151.6179.800000112.5H55 D88H55-G58 PolarHBondContact CE1-O 3.44Å; H55-G58 VanDerWaalsContact CE1-O 3.31Å; H55-G58 PolarHBondContact NE2-O 3.12Å; G58-D88 WeakPolarHBondContact CA-O 3.24Å
59L91.7Very high95.6Very high142 Ų14232.1 Ų32.174%0.74319%0.192SC*.SBendtrans-76.4145.5169.2-62.6176000111T61 N90L59-T61 PolarHBondContact O-N 3.07Å; L59-T61 PolarHBondContact O-OG1 3.25Å; L59-T61 VanDerWaalsContact O-OG1 3.08Å; L59-N90 PolarHBondContact O-ND2 3.32Å
60L94.1Very high95.6Very high77 Ų7739.5 Ų39.540%0.40322%0.22SC..  trans-55113.9171.1170.663000108.5D31 V53 H55 P62D31-L60 HydrophobicContact CB-CD1 4.24Å; V53-L60 HydrophobicContact CB-CD1 4.48Å; V53-L60 HydrophobicContact CG1-CD1 3.89Å; H55-L60 HydrophobicContact CB-CD1 4Å; H55-L60 PolarHBondContact NE2-N 3.36Å; L60-P62 WeakPolarHBondContact O-CD 3.35Å
61T95.4Very high95.6Very high17 Ų1739.9 Ų39.910%0.10422%0.222CC..  trans-107.6105.1-179.1-59.60000108.1L59 L65 N90L59-T61 PolarHBondContact O-N 3.07Å; L59-T61 PolarHBondContact O-OG1 3.25Å; L59-T61 VanDerWaalsContact O-OG1 3.08Å; T61-L65 HydrophobicContact CG2-CD1 4.39Å; T61-L65 HydrophobicContact CG2-CD2 4.41Å; T61-N90 VanDerWaalsContact OG1-CB 3.24Å; T61-N90 WeakPolarHBondContact OG1-CB 3.36Å
62P96.4Very high95.6Very high36 Ų3639.9 Ų39.923%0.23422%0.222CC..  trans-62.6143177.4-21.433.5000111.3L60L60-P62 WeakPolarHBondContact O-CD 3.35Å
63Q97.6Very high95.7Very high4 Ų439.8 Ų39.82%0.01922%0.222CC..SBendtrans-125157.4175.3-63.6-17348.800109.4R34 A51 V53 W75 T92R34-Q63 WeakPolarHBondContact CB-O 3.27Å; A51-Q63 VanDerWaalsContact CB-C 3.42Å; A51-Q63 HydrophobicContact CB-CB 3.46Å; A51-Q63 VanDerWaalsContact CB-CB 3.46Å; A51-Q63 WeakPolarHBondContact CB-O 3.37Å; V53-Q63 HydrophobicContact CG2-CB 3.88Å; V53-Q63 HydrophobicContact CG2-CG 3.99Å; Q63-W75 PolarHBondContact NE2-O 3.08Å; Q63-W75 VanDerWaalsContact NE2-O 3.08Å; Q63-W75 PolarHBondContact OE1-O 2.81Å; Q63-T92 HydrophobicContact CG-CG2 4.06Å; Q63-T92 PolarHBondContact NE2-OG1 2.93Å
64P98.1Very high95.7Very high12 Ų1239.4 Ų39.48%0.07822%0.219CC..SBendcis-60.5135.2-1.6-21.932.6000112.7R34 V36 L49 A51 V72 L74R34-P64 VanDerWaalsContact O-CD 3.28Å; R34-P64 WeakPolarHBondContact O-CD 3.27Å; V36-P64 HydrophobicContact CB-CB 4.27Å; V36-P64 HydrophobicContact CB-CG 4.21Å; V36-P64 HydrophobicContact CG2-CB 3.97Å; V36-P64 HydrophobicContact CG2-CG 4.08Å; L49-P64 HydrophobicContact CB-CB 4.4Å; L49-P64 HydrophobicContact CB-CG 3.9Å; A51-P64 HydrophobicContact CB-CG 4.09Å; P64-V72 HydrophobicContact CB-CG1 3.43Å; P64-V72 VanDerWaalsContact CB-CG1 3.43Å; P64-L74 HydrophobicContact CB-CD1 3.83Å; P64-L74 HydrophobicContact CB-CG 3.96Å; P64-L74 HydrophobicContact CG-CD1 4.2Å; P64-L74 HydrophobicContact CG-CD2 4.19Å; P64-L74 HydrophobicContact CG-CG 4.04Å
65L97.9Very high95.8Very high37 Ų3739.4 Ų39.419%0.19422%0.219CC..EExtended strand (participates in β ladder)trans-88.7118.1-179-178.563.2000109T61 V72 L73 T92T61-L65 HydrophobicContact CG2-CD1 4.39Å; T61-L65 HydrophobicContact CG2-CD2 4.41Å; L65-V72 CarbonylContact O-C 3.58Å; L65-V72 WeakPolarHBondContact O-CA 3.28Å; L65-L73 PolarHBondContact N-O 2.87Å; L65-L73 PolarHBondContact O-N 3.5Å; L65-T92 HydrophobicContact CB-CG2 4.37Å; L65-T92 HydrophobicContact CD2-CG2 3.96Å
66Q97.8Very high95.9Very high67 Ų6737.2 Ų37.231%0.31321%0.209SC..EExtended strand (participates in β ladder)trans-100.8127.1176-176.516628.100110.7R70 N71 V72Q66-R70 VanDerWaalsContact NE2-CD 3.35Å; Q66-N71 VanDerWaalsContact CA-O 3.29Å; Q66-N71 WeakPolarHBondContact CA-O 3.43Å; Q66-V72 HydrophobicContact CB-CG2 4.33Å; Q66-V72 HydrophobicContact CG-CG2 4.2Å
67D96.1Very high96Very high17 Ų1737 Ų379%0.09121%0.208CC..  trans-88.2178.217874.217000113A69 R70 N71 Q100D67-A69 PolarHBondContact O-N 3.46Å; D67-A69 VanDerWaalsContact OD1-CA 3.27Å; D67-A69 WeakPolarHBondContact OD1-CA 3.3Å; D67-A69 WeakPolarHBondContact OD1-CB 3.13Å; D67-A69 PolarHBondContact OD1-N 3.3Å; D67-R70 PolarHBondContact O-N 2.93Å; D67-R70 PolarHBondContact OD1-N 3.24Å; D67-N71 PolarHBondContact N-O 2.96Å; D67-N71 PolarHBondContact OD1-N 3.38Å; D67-N71 PolarHBondContact OD1-ND2 2.73Å; D67-N71 VanDerWaalsContact OD2-CB 3.32Å; D67-N71 WeakPolarHBondContact OD2-CB 3.38Å; D67-N71 PolarHBondContact OD2-ND2 3.42Å; D67-Q100 HydrophobicContact CB-CG 4.48Å; D67-Q100 WeakPolarHBondContact OD2-CB 3.21Å; D67-Q100 VanDerWaalsContact OD2-CG 3.3Å; D67-Q100 WeakPolarHBondContact OD2-CG 3.2Å
68A94.8Very high96.2Very high96 Ų9635.5 Ų35.579%0.79320%0.203SC*.THydrogen-bonded Turntrans-66.9-24.8179.600000113.4R70A68-R70 PolarHBondContact O-N 2.91Å
69A94.8Very high96.6Very high48 Ų4834.6 Ų34.640%0.39719%0.193SC..THydrogen-bonded Turntrans-84.67.2173.900000112.5D67 N71 Q100D67-A69 PolarHBondContact O-N 3.46Å; D67-A69 VanDerWaalsContact OD1-CA 3.27Å; D67-A69 WeakPolarHBondContact OD1-CA 3.3Å; D67-A69 WeakPolarHBondContact OD1-CB 3.13Å; D67-A69 PolarHBondContact OD1-N 3.3Å; A69-N71 PolarHBondContact O-N 3.3Å; A69-Q100 HydrophobicContact CB-CG 4.34Å
70R95.6Very high96.8Very high155 Ų15529 Ų2959%0.58516%0.163SC*.  trans64.715.4-178.9-55.1-79.4-69178.82.5113.4Q66 D67 A68 R126Q66-R70 VanDerWaalsContact NE2-CD 3.35Å; D67-R70 PolarHBondContact O-N 2.93Å; D67-R70 PolarHBondContact OD1-N 3.24Å; A68-R70 PolarHBondContact O-N 2.91Å; R70-R126 HydrophobicContact CB-CB 4.4Å; R70-R126 HydrophobicContact CB-CG 4.22Å
71N97.5Very high96.8Very high9 Ų926.2 Ų26.25%0.04815%0.152CC..  trans-68.8152.9166.9-49.4-56.1000109Q66 D67 A69 Y123 H124 Q125 R126Q66-N71 VanDerWaalsContact CA-O 3.29Å; Q66-N71 WeakPolarHBondContact CA-O 3.43Å; D67-N71 PolarHBondContact N-O 2.96Å; D67-N71 PolarHBondContact OD1-N 3.38Å; D67-N71 PolarHBondContact OD1-ND2 2.73Å; D67-N71 VanDerWaalsContact OD2-CB 3.32Å; D67-N71 WeakPolarHBondContact OD2-CB 3.38Å; D67-N71 PolarHBondContact OD2-ND2 3.42Å; A69-N71 PolarHBondContact O-N 3.3Å; N71-Y123 HydrophobicContact CB-CE2 3.56Å; N71-Y123 WeakPolarHBondContact CB-OH 3.44Å; N71-Y123 PolarHBondContact ND2-OH 2.94Å; N71-H124 CarbonylContact C-O 3.56Å; N71-H124 VanDerWaalsContact CA-O 3.24Å; N71-H124 WeakPolarHBondContact CA-O 3.42Å; N71-H124 WeakPolarHBondContact CB-O 3.46Å; N71-Q125 WeakPolarHBondContact OD1-CA 3.39Å; N71-R126 PolarHBondContact OD1-N 3.41Å
72V98.4Very high96.9Very high0 Ų028.1 Ų28.10%018%0.175CC..EExtended strand (participates in β ladder)trans-127.7122.3-178.2-172.10000110.1V36 V38 L49 P64 L65 Q66 L74 Y123 H124V36-V72 HydrophobicContact CG1-CG1 4.45Å; V36-V72 HydrophobicContact CG1-CG2 4.22Å; V38-V72 HydrophobicContact CG1-CG2 3.93Å; L49-V72 HydrophobicContact CD1-CB 3.73Å; L49-V72 HydrophobicContact CD1-CG1 3.53Å; L49-V72 HydrophobicContact CD1-CG2 4.29Å; P64-V72 HydrophobicContact CB-CG1 3.43Å; P64-V72 VanDerWaalsContact CB-CG1 3.43Å; L65-V72 CarbonylContact O-C 3.58Å; L65-V72 WeakPolarHBondContact O-CA 3.28Å; Q66-V72 HydrophobicContact CB-CG2 4.33Å; Q66-V72 HydrophobicContact CG-CG2 4.2Å; V72-L74 HydrophobicContact CG1-CD1 4.17Å; V72-Y123 WeakPolarHBondContact O-CA 3.44Å; V72-H124 HydrophobicContact CB-CB 4.31Å; V72-H124 PolarHBondContact N-O 3.44Å; V72-H124 PolarHBondContact O-N 3.01Å
73L98.7Very high96.8Very high0 Ų027.5 Ų27.50%017%0.17CC..EExtended strand (participates in β ladder)trans-109.2132.6178.7179.565.2000111.4L65 W75 T92 L95 L99 F121 Y123L65-L73 PolarHBondContact N-O 2.87Å; L65-L73 PolarHBondContact O-N 3.5Å; L73-W75 HydrophobicContact CD2-CB 4.37Å; L73-W75 HydrophobicContact CG-CB 4.3Å; L73-T92 HydrophobicContact CD2-CG2 4.32Å; L73-L95 HydrophobicContact CD2-CB 4.43Å; L73-L95 HydrophobicContact CD2-CD2 4.26Å; L73-L95 HydrophobicContact CD2-CG 4.28Å; L73-L99 HydrophobicContact CD1-CD1 4.06Å; L73-L99 HydrophobicContact CD2-CD1 4.47Å; L73-F121 HydrophobicContact CD1-CD2 4.45Å; L73-Y123 HydrophobicContact CB-CD2 4.07Å; L73-Y123 HydrophobicContact CD1-CD2 4.13Å; L73-Y123 HydrophobicContact CD1-CG 4.48Å
74L98.7Very high96.6Very high0 Ų031.3 Ų31.30%020%0.195CC..EExtended strand (participates in β ladder)trans-118117.5165.5-64.675.3000106.7I4 L49 S50 A51 P64 V72 F121 V122I4-L74 HydrophobicContact CD1-CB 4.12Å; I4-L74 HydrophobicContact CG1-CB 4.1Å; I4-L74 HydrophobicContact CG2-CB 4.14Å; I4-L74 HydrophobicContact CG2-CD2 3.85Å; L49-L74 HydrophobicContact CB-CD1 4.02Å; L49-L74 HydrophobicContact CB-CD2 4.29Å; L49-L74 HydrophobicContact CD1-CD1 4.18Å; L49-L74 HydrophobicContact CD2-CD1 3.77Å; L49-L74 HydrophobicContact CD2-CD2 4.4Å; L49-L74 HydrophobicContact CG-CD1 4.2Å; S50-L74 VanDerWaalsContact O-CD2 3.3Å; S50-L74 WeakPolarHBondContact O-CD2 3.16Å; A51-L74 HydrophobicContact CB-CD2 4.26Å; A51-L74 HydrophobicContact CB-CG 4.34Å; P64-L74 HydrophobicContact CB-CD1 3.83Å; P64-L74 HydrophobicContact CB-CG 3.96Å; P64-L74 HydrophobicContact CG-CD1 4.2Å; P64-L74 HydrophobicContact CG-CD2 4.19Å; P64-L74 HydrophobicContact CG-CG 4.04Å; V72-L74 HydrophobicContact CG1-CD1 4.17Å; L74-F121 CarbonylContact O-C 3.51Å; L74-F121 WeakPolarHBondContact O-CA 3.46Å; L74-F121 WeakPolarHBondContact O-CB 3.48Å; L74-V122 HydrophobicContact CB-CB 4.3Å; L74-V122 HydrophobicContact CD1-CB 4.49Å; L74-V122 PolarHBondContact N-O 3.48Å; L74-V122 PolarHBondContact O-N 3.03Å
75W98.2Very high96.4Very high2 Ų231.9 Ų31.91%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-124.2114.2-174177.1-108.8000110.3C2 Q63 L73 G77 I79 D91 T92 L95 V115 W119 F121C2-W75 WeakPolarHBondContact CB-O 3.43Å; Q63-W75 PolarHBondContact NE2-O 3.08Å; Q63-W75 VanDerWaalsContact NE2-O 3.08Å; Q63-W75 PolarHBondContact OE1-O 2.81Å; L73-W75 HydrophobicContact CD2-CB 4.37Å; L73-W75 HydrophobicContact CG-CB 4.3Å; W75-G77 PolarHBondContact NE1-O 2.76Å; W75-I79 HydrophobicContact CZ2-CD1 4.47Å; W75-I79 HydrophobicContact CZ2-CG1 3.96Å; W75-D91 PolarHBondContact NE1-OD2 3.23Å; W75-T92 HydrophobicContact CB-CG2 3.99Å; W75-L95 HydrophobicContact CD2-CD2 3.62Å; W75-L95 HydrophobicContact CE3-CD2 3.2Å; W75-L95 HydrophobicContact CG-CD2 4.39Å; W75-L95 HydrophobicContact CH2-CD2 3.69Å; W75-L95 HydrophobicContact CZ2-CD2 4.1Å; W75-L95 HydrophobicContact CZ3-CD2 3.24Å; W75-V115 HydrophobicContact CH2-CG1 4.32Å; W75-W119 HydrophobicContact CE3-CB 4.26Å; W75-W119 HydrophobicContact CH2-CB 3.06Å; W75-W119 AromaticContact CH2-CD1 3.76Å; W75-W119 HydrophobicContact CH2-CD2 4.09Å; W75-W119 AromaticContact CH2-CG 3.35Å; W75-W119 HydrophobicContact CH2-CG 3.35Å; W75-W119 HydrophobicContact CZ2-CB 3.54Å; W75-W119 HydrophobicContact CZ2-CG 4.19Å; W75-W119 HydrophobicContact CZ3-CB 3.46Å; W75-W119 VanDerWaalsContact CZ3-CB 3.46Å; W75-W119 HydrophobicContact CZ3-CD2 4.17Å; W75-W119 HydrophobicContact CZ3-CE3 4.38Å; W75-W119 AromaticContact CZ3-CG 3.81Å; W75-W119 HydrophobicContact CZ3-CG 3.81Å; W75-F121 HydrophobicContact CE3-CB 3.77Å; W75-F121 HydrophobicContact CZ3-CB 4.16Å
76N97.9Very high96Very high0 Ų034.2 Ų34.20%021%0.211CC..EExtended strand (participates in β ladder)trans-110.584.9168.5174.827.7000107.4M1 C2 I4 R28 W119 A120 R141M1-N76 WeakPolarHBondContact CG-OD1 3.45Å; C2-N76 HydrophobicContact CB-CB 4.08Å; C2-N76 PolarHBondContact N-OD1 3.44Å; C2-N76 VanDerWaalsContact O-CB 3.25Å; C2-N76 WeakPolarHBondContact O-CB 3.39Å; C2-N76 PolarHBondContact O-ND2 3.03Å; C2-N76 PolarHBondContact O-OD1 2.86Å; I4-N76 HydrophobicContact CD1-CB 3.64Å; I4-N76 HydrophobicContact CG1-CB 3.97Å; R28-N76 PolarHBondContact NH2-ND2 3.07Å; R28-N76 PolarHBondContact NH2-OD1 3.01Å; N76-W119 CarbonylContact O-C 3.51Å; N76-W119 WeakPolarHBondContact O-CA 3.28Å; N76-A120 PolarHBondContact N-O 2.92Å; N76-A120 PolarHBondContact O-N 3.49Å; N76-R141 WeakPolarHBondContact O-CG 3.48Å
77G95.8Very high95.3Very high0 Ų036.8 Ų36.80%023%0.233CC..EExtended strand (participates in β ladder)trans-163.5-178.7-179.500000113.2W75 P118W75-G77 PolarHBondContact NE1-O 2.76Å; G77-P118 CarbonylContact C-O 3.45Å; G77-P118 WeakPolarHBondContact CA-O 3.21Å
78E95.9Very high94.8Very high4 Ų441.6 Ų41.62%0.01926%0.259CS..  trans-140.1127.1170-65.7-63.4139.900109M1 M56 R57 F80 D91 G117 P118 E505M1-E78 PolarHBondContact N-OE1 2.98Å; M56-E78 WeakPolarHBondContact CB-OE1 3.37Å; R57-E78 WeakPolarHBondContact CD-OE2 3.37Å; E78-F80 HydrophobicContact CB-CE1 4.31Å; E78-F80 HydrophobicContact CB-CE2 3.9Å; E78-F80 HydrophobicContact CB-CZ 3.78Å; E78-F80 HydrophobicContact CG-CZ 4.32Å; E78-D91 VanDerWaalsContact CA-OD2 3.24Å; E78-D91 WeakPolarHBondContact CA-OD2 3.37Å; E78-G117 WeakPolarHBondContact O-CA 3.48Å; E78-P118 HydrophobicContact CB-CG 4.38Å; E78-P118 PolarHBondContact N-O 2.92Å; E78-P118 WeakPolarHBondContact O-CD 3.36Å; E78-E505 WeakPolarHBondContact CG-OE1 3.28Å; E78-E505 WeakPolarHBondContact CG-OE2 3.36Å
79I97Very high94.7Very high4 Ų440.4 Ų40.42%0.02124%0.237CC..  trans-89.6106.7173.1-55.9-179.3000109.5R57 W75 L83 V85 D91 L95 V115R57-I79 PolarHBondContact NH1-O 2.96Å; W75-I79 HydrophobicContact CZ2-CD1 4.47Å; W75-I79 HydrophobicContact CZ2-CG1 3.96Å; I79-L83 HydrophobicContact CD1-CD1 4.23Å; I79-L83 HydrophobicContact CG2-CB 4.13Å; I79-V85 HydrophobicContact CB-CG2 4.03Å; I79-V85 HydrophobicContact CD1-CG2 4.22Å; I79-V85 HydrophobicContact CG2-CG2 3.88Å; I79-D91 HydrophobicContact CB-CB 4Å; I79-D91 HydrophobicContact CD1-CB 3.96Å; I79-D91 HydrophobicContact CG1-CB 3.86Å; I79-D91 PolarHBondContact N-OD2 3.13Å; I79-D91 VanDerWaalsContact N-OD2 3.16Å; I79-L95 HydrophobicContact CD1-CB 4.41Å; I79-V115 HydrophobicContact CG1-CG1 3.99Å
80F95.9Very high94.7Very high25 Ų2539 Ų3911%0.1122%0.223CC..  trans-93.8-13.9175.4-66.2-58.1000113.3E78 R116 P118 R281 R282E78-F80 HydrophobicContact CB-CE1 4.31Å; E78-F80 HydrophobicContact CB-CE2 3.9Å; E78-F80 HydrophobicContact CB-CZ 3.78Å; E78-F80 HydrophobicContact CG-CZ 4.32Å; F80-R116 PolarHBondContact N-O 2.79Å; F80-P118 HydrophobicContact CE2-CG 4.2Å; F80-R281 HydrophobicContact CB-CB 4.4Å; F80-R281 HydrophobicContact CD1-CB 4.06Å; F80-R281 WeakPolarHBondContact CE1-O 3.17Å; F80-R281 HydrophobicContact CG-CB 4.39Å; F80-R282 HydrophobicContact CE2-CG 4.06Å; F80-R282 HydrophobicContact CZ-CG 4.05Å
81G95.5Very high94.7Very high18 Ų1831.8 Ų31.819%0.18620%0.196CC..BIsolated β-bridgetrans-177.6-175.917600000113.7L83 R116G81-L83 PolarHBondContact O-N 2.81Å; G81-R116 PolarHBondContact N-O 2.77Å; G81-R116 VanDerWaalsContact N-O 3.17Å; G81-R116 WeakPolarHBondContact O-CB 3.42Å; G81-R116 PolarHBondContact O-N 2.79Å
82G95.5Very high94.7Very high57 Ų5731.5 Ų31.559%0.58820%0.195SC*.SBendtrans73.8-34.4177.700000115.3A114G82-A114 CarbonylContact C-O 3.49Å; G82-A114 WeakPolarHBondContact CA-O 3.44Å
83L94.5Very high94.6Very high22 Ų2233.9 Ų33.912%0.11521%0.209CC..SBendtrans-105.9136.4158.7-63.9-176.7000110I79 G81 V85 L95 V111 A114 V115I79-L83 HydrophobicContact CD1-CD1 4.23Å; I79-L83 HydrophobicContact CG2-CB 4.13Å; G81-L83 PolarHBondContact O-N 2.81Å; L83-V85 PolarHBondContact O-N 2.88Å; L83-L95 HydrophobicContact CD1-CD1 4.24Å; L83-V111 HydrophobicContact CD1-CG1 4.11Å; L83-A114 HydrophobicContact CD2-CB 3.7Å; L83-A114 HydrophobicContact CG-CB 4.2Å; L83-V115 HydrophobicContact CD1-CG2 3.61Å; L83-V115 HydrophobicContact CG-CG2 4.16Å
84P93.5Very high94.5Very high84 Ų8434.3 Ų34.355%0.54521%0.212SC..  trans-69.9122.5176.728.4-32.6000109.9
85V93.5Very high94.5Very high25 Ų2534.3 Ų34.315%0.15221%0.212CC..  trans-135.1114.2173.8-176.60000107.3I79 L83 Q89 D91 V94I79-V85 HydrophobicContact CB-CG2 4.03Å; I79-V85 HydrophobicContact CD1-CG2 4.22Å; I79-V85 HydrophobicContact CG2-CG2 3.88Å; L83-V85 PolarHBondContact O-N 2.88Å; V85-Q89 HydrophobicContact CG1-CB 4.01Å; V85-D91 HydrophobicContact CG1-CB 4.25Å; V85-D91 HydrophobicContact CG2-CB 4.35Å; V85-V94 HydrophobicContact CG1-CG2 4.27Å; V85-V94 HydrophobicContact CG2-CB 4.26Å; V85-V94 HydrophobicContact CG2-CG1 4.15Å; V85-V94 HydrophobicContact CG2-CG2 4.31Å
86D89.7Confident94.5Very high86 Ų8634.4 Ų34.446%0.4621%0.213SC..  trans-67.7157.7-179.7-64.9-42.6000111.4D88 Q89D86-D88 WeakPolarHBondContact CB-OD1 3.48Å; D86-D88 PolarHBondContact O-N 2.83Å; D86-Q89 HydrophobicContact CB-CB 4.36Å; D86-Q89 HydrophobicContact CB-CG 3.96Å; D86-Q89 VanDerWaalsContact N-OE1 3.09Å; D86-Q89 PolarHBondContact O-N 2.86Å; D86-Q89 VanDerWaalsContact O-N 3.07Å; D86-Q89 PolarHBondContact OD2-NE2 2.83Å
87P84.1Confident94.4Very high121 Ų12139.7 Ų39.779%0.78624%0.237SC*.THydrogen-bonded Turntrans-59.2-30.5-176.5-26.636000114.9
88D86.4Confident94.5Very high118 Ų11845.4 Ų45.463%0.63126%0.259SS*.THydrogen-bonded Turntrans-88-13.3178.564.4-33.4000113.2G58 D86G58-D88 WeakPolarHBondContact CA-O 3.24Å; D86-D88 WeakPolarHBondContact CB-OD1 3.48Å; D86-D88 PolarHBondContact O-N 2.83Å
89Q92.2Very high94.6Very high70 Ų7045.2 Ų45.233%0.32726%0.258SS..SBendtrans-82.3151.5178.9-72.2178.3-14.400112.8V85 D86 V94V85-Q89 HydrophobicContact CG1-CB 4.01Å; D86-Q89 HydrophobicContact CB-CB 4.36Å; D86-Q89 HydrophobicContact CB-CG 3.96Å; D86-Q89 VanDerWaalsContact N-OE1 3.09Å; D86-Q89 PolarHBondContact O-N 2.86Å; D86-Q89 VanDerWaalsContact O-N 3.07Å; D86-Q89 PolarHBondContact OD2-NE2 2.83Å; Q89-V94 HydrophobicContact CB-CG2 4.27Å
90N94.8Very high94.6Very high18 Ų1848.7 Ų48.710%0.09627%0.274CS..  trans-95.3127.6167.9-170.5-79.2000109.7R57 L59 T61 T92 T93 V94R57-N90 PolarHBondContact O-ND2 2.94Å; R57-N90 VanDerWaalsContact O-ND2 3.12Å; L59-N90 PolarHBondContact O-ND2 3.32Å; T61-N90 VanDerWaalsContact OG1-CB 3.24Å; T61-N90 WeakPolarHBondContact OG1-CB 3.36Å; N90-T92 PolarHBondContact O-N 3.16Å; N90-T92 WeakPolarHBondContact OD1-CB 3.37Å; N90-T92 PolarHBondContact OD1-N 2.69Å; N90-T92 PolarHBondContact OD1-OG1 3.24Å; N90-T92 VanDerWaalsContact OD1-OG1 3.07Å; N90-T93 PolarHBondContact O-N 2.84Å; N90-T93 VanDerWaalsContact O-N 3.1Å; N90-V94 PolarHBondContact O-N 3.05Å
91D95.4Very high94.6Very high4 Ų452.2 Ų52.22%0.02130%0.302CS..Hα-helixtrans-62.1-30.2-176.966.4-28.2000113.3W75 E78 I79 V85 T93 V94 L95W75-D91 PolarHBondContact NE1-OD2 3.23Å; E78-D91 VanDerWaalsContact CA-OD2 3.24Å; E78-D91 WeakPolarHBondContact CA-OD2 3.37Å; I79-D91 HydrophobicContact CB-CB 4Å; I79-D91 HydrophobicContact CD1-CB 3.96Å; I79-D91 HydrophobicContact CG1-CB 3.86Å; I79-D91 PolarHBondContact N-OD2 3.13Å; I79-D91 VanDerWaalsContact N-OD2 3.16Å; V85-D91 HydrophobicContact CG1-CB 4.25Å; V85-D91 HydrophobicContact CG2-CB 4.35Å; D91-T93 VanDerWaalsContact C-N 3.33Å; D91-T93 PolarHBondContact O-N 2.91Å; D91-V94 PolarHBondContact O-N 3.27Å; D91-L95 WeakPolarHBondContact O-CB 3.44Å; D91-L95 PolarHBondContact O-N 3.11Å
92T97Very high94.7Very high4 Ų452 Ų523%0.02530%0.297CS..Hα-helixtrans-60.6-43.1174.2-51.90000111.3Q63 L65 L73 W75 N90 S96Q63-T92 HydrophobicContact CG-CG2 4.06Å; Q63-T92 PolarHBondContact NE2-OG1 2.93Å; L65-T92 HydrophobicContact CB-CG2 4.37Å; L65-T92 HydrophobicContact CD2-CG2 3.96Å; L73-T92 HydrophobicContact CD2-CG2 4.32Å; W75-T92 HydrophobicContact CB-CG2 3.99Å; N90-T92 PolarHBondContact O-N 3.16Å; N90-T92 WeakPolarHBondContact OD1-CB 3.37Å; N90-T92 PolarHBondContact OD1-N 2.69Å; N90-T92 PolarHBondContact OD1-OG1 3.24Å; N90-T92 VanDerWaalsContact OD1-OG1 3.07Å; T92-S96 WeakPolarHBondContact O-CB 3.34Å; T92-S96 PolarHBondContact O-N 3.34Å
93T96.6Very high94.5Very high49 Ų4952.5 Ų52.530%0.30130%0.302SS..Hα-helixtrans-68.3-45-179.8-59.80000110.6N90 D91 L95 S96 Q97N90-T93 PolarHBondContact O-N 2.84Å; N90-T93 VanDerWaalsContact O-N 3.1Å; D91-T93 VanDerWaalsContact C-N 3.33Å; D91-T93 PolarHBondContact O-N 2.91Å; T93-L95 PolarHBondContact O-N 3.31Å; T93-S96 PolarHBondContact O-N 3.33Å; T93-Q97 WeakPolarHBondContact O-CG 3.37Å; T93-Q97 PolarHBondContact O-N 3.41Å
94V97Very high94.6Very high9 Ų954.9 Ų54.96%0.05532%0.318CS..Hα-helixtrans-59.9-47.9177.4176.10000110.7V85 Q89 N90 D91 S96 Q97 R98V85-V94 HydrophobicContact CG1-CG2 4.27Å; V85-V94 HydrophobicContact CG2-CB 4.26Å; V85-V94 HydrophobicContact CG2-CG1 4.15Å; V85-V94 HydrophobicContact CG2-CG2 4.31Å; Q89-V94 HydrophobicContact CB-CG2 4.27Å; N90-V94 PolarHBondContact O-N 3.05Å; D91-V94 PolarHBondContact O-N 3.27Å; V94-S96 PolarHBondContact O-N 3.03Å; V94-Q97 PolarHBondContact O-N 3.4Å; V94-R98 WeakPolarHBondContact O-CG 3.35Å; V94-R98 PolarHBondContact O-N 3.48Å; V94-R98 VanDerWaalsContact O-N 3.12Å
95L97.9Very high94.8Very high0 Ų051.7 Ų51.70%030%0.299CS..Hα-helixtrans-63.2-44179.3-177.363.7000111.8L73 W75 I79 L83 D91 T93 Q97 R98 L99 V111L73-L95 HydrophobicContact CD2-CB 4.43Å; L73-L95 HydrophobicContact CD2-CD2 4.26Å; L73-L95 HydrophobicContact CD2-CG 4.28Å; W75-L95 HydrophobicContact CD2-CD2 3.62Å; W75-L95 HydrophobicContact CE3-CD2 3.2Å; W75-L95 HydrophobicContact CG-CD2 4.39Å; W75-L95 HydrophobicContact CH2-CD2 3.69Å; W75-L95 HydrophobicContact CZ2-CD2 4.1Å; W75-L95 HydrophobicContact CZ3-CD2 3.24Å; I79-L95 HydrophobicContact CD1-CB 4.41Å; L83-L95 HydrophobicContact CD1-CD1 4.24Å; D91-L95 WeakPolarHBondContact O-CB 3.44Å; D91-L95 PolarHBondContact O-N 3.11Å; T93-L95 PolarHBondContact O-N 3.31Å; L95-Q97 VanDerWaalsContact C-N 3.32Å; L95-Q97 PolarHBondContact O-N 2.95Å; L95-R98 PolarHBondContact O-N 3.34Å; L95-L99 HydrophobicContact CD1-CD1 4.26Å; L95-L99 HydrophobicContact CD1-CG 4.17Å; L95-L99 HydrophobicContact CD2-CD1 4.48Å; L95-L99 HydrophobicContact CG-CD1 3.96Å; L95-L99 HydrophobicContact CG-CG 4.28Å; L95-L99 WeakPolarHBondContact O-CG 3.25Å; L95-L99 PolarHBondContact O-N 3.17Å; L95-V111 HydrophobicContact CD1-CG1 3.73Å
96S97.9Very high95Very high5 Ų552.8 Ų52.84%0.03531%0.311CS..Hα-helixtrans-58.5-43177.6-169.40000112.1T92 T93 V94 L99 Q100T92-S96 WeakPolarHBondContact O-CB 3.34Å; T92-S96 PolarHBondContact O-N 3.34Å; T93-S96 PolarHBondContact O-N 3.33Å; V94-S96 PolarHBondContact O-N 3.03Å; S96-L99 PolarHBondContact O-N 2.9Å; S96-Q100 VanDerWaalsContact O-CB 3.27Å; S96-Q100 WeakPolarHBondContact O-CB 3.49Å; S96-Q100 PolarHBondContact O-N 3.41Å
97Q97.1Very high95.4Very high110 Ų11052.8 Ų52.851%0.51431%0.308SS..Hα-helixtrans-64.5-39.8177.9-71.6170.9-5.600112.3T93 V94 L95 S101T93-Q97 WeakPolarHBondContact O-CG 3.37Å; T93-Q97 PolarHBondContact O-N 3.41Å; V94-Q97 PolarHBondContact O-N 3.4Å; L95-Q97 VanDerWaalsContact C-N 3.32Å; L95-Q97 PolarHBondContact O-N 2.95Å; Q97-S101 PolarHBondContact O-N 3.18Å; Q97-S101 PolarHBondContact O-OG 3.16Å
98R97.7Very high96.1Very high121 Ų12147.1 Ų47.146%0.45727%0.271SS..Hα-helixtrans-65-48.1175.8-64.8-68.3-177.7-178.2-0.5111.1V94 L95 Q100 S101 C102 V111V94-R98 WeakPolarHBondContact O-CG 3.35Å; V94-R98 PolarHBondContact O-N 3.48Å; V94-R98 VanDerWaalsContact O-N 3.12Å; L95-R98 PolarHBondContact O-N 3.34Å; R98-Q100 VanDerWaalsContact C-N 3.35Å; R98-Q100 PolarHBondContact O-N 2.85Å; R98-S101 WeakPolarHBondContact O-CB 3.37Å; R98-S101 PolarHBondContact O-N 3.02Å; R98-S101 VanDerWaalsContact O-N 3.13Å; R98-C102 PolarHBondContact O-SG 3.39Å; R98-C102 VanDerWaalsContact O-SG 3.32Å; R98-V111 HydrophobicContact CB-CG1 3.95Å; R98-V111 HydrophobicContact CB-CG2 4.23Å
99L97.9Very high96.6Very high0 Ų041.7 Ų41.70%024%0.242CC..Hα-helixtrans-64.9-36.5178.9-69.3177.2000112.8L73 L95 S96 S101 C102 I108 V111 Y123L73-L99 HydrophobicContact CD1-CD1 4.06Å; L73-L99 HydrophobicContact CD2-CD1 4.47Å; L95-L99 HydrophobicContact CD1-CD1 4.26Å; L95-L99 HydrophobicContact CD1-CG 4.17Å; L95-L99 HydrophobicContact CD2-CD1 4.48Å; L95-L99 HydrophobicContact CG-CD1 3.96Å; L95-L99 HydrophobicContact CG-CG 4.28Å; L95-L99 WeakPolarHBondContact O-CG 3.25Å; L95-L99 PolarHBondContact O-N 3.17Å; S96-L99 PolarHBondContact O-N 2.9Å; L99-S101 PolarHBondContact O-N 2.6Å; L99-C102 WeakPolarHBondContact O-CB 3.44Å; L99-C102 PolarHBondContact O-N 2.75Å; L99-C102 VanDerWaalsContact O-N 3.16Å; L99-I108 HydrophobicContact CD2-CG2 4.1Å; L99-V111 HydrophobicContact CD2-CB 4.47Å; L99-V111 HydrophobicContact CD2-CG1 4.17Å; L99-Y123 HydrophobicContact CB-CE1 4.2Å; L99-Y123 HydrophobicContact CB-CE2 4.27Å; L99-Y123 HydrophobicContact CD1-CD1 4.42Å; L99-Y123 HydrophobicContact CD1-CD2 4.27Å; L99-Y123 HydrophobicContact CD1-CE2 4.46Å; L99-Y123 HydrophobicContact CD1-CG 4.23Å; L99-Y123 PolarHBondContact O-OH 2.83Å
100Q97.1Very high96.9Very high77 Ų7742.1 Ų42.136%0.3625%0.253SS..Hα-helixtrans-59.6-32.1174.4-176.9-177.83.600111.9D67 A69 S96 R98 C102D67-Q100 HydrophobicContact CB-CG 4.48Å; D67-Q100 WeakPolarHBondContact OD2-CB 3.21Å; D67-Q100 VanDerWaalsContact OD2-CG 3.3Å; D67-Q100 WeakPolarHBondContact OD2-CG 3.2Å; A69-Q100 HydrophobicContact CB-CG 4.34Å; S96-Q100 VanDerWaalsContact O-CB 3.27Å; S96-Q100 WeakPolarHBondContact O-CB 3.49Å; S96-Q100 PolarHBondContact O-N 3.41Å; R98-Q100 VanDerWaalsContact C-N 3.35Å; R98-Q100 PolarHBondContact O-N 2.85Å; Q100-C102 VanDerWaalsContact C-N 3.31Å
101S95.8Very high97.1Very high99 Ų9942.2 Ų42.269%0.69225%0.254SS*.THydrogen-bonded Turntrans-81.9-8.1-178.5-53.40000113.3Q97 R98 L99Q97-S101 PolarHBondContact O-N 3.18Å; Q97-S101 PolarHBondContact O-OG 3.16Å; R98-S101 WeakPolarHBondContact O-CB 3.37Å; R98-S101 PolarHBondContact O-N 3.02Å; R98-S101 VanDerWaalsContact O-N 3.13Å; L99-S101 PolarHBondContact O-N 2.6Å
102C96.8Very high97.3Very high13 Ų1342 Ų429%0.08825%0.253CS..  trans-84125.3179.9-60.50000111.3R98 L99 Q100 E107 I108R98-C102 PolarHBondContact O-SG 3.39Å; R98-C102 VanDerWaalsContact O-SG 3.32Å; L99-C102 WeakPolarHBondContact O-CB 3.44Å; L99-C102 PolarHBondContact O-N 2.75Å; L99-C102 VanDerWaalsContact O-N 3.16Å; Q100-C102 VanDerWaalsContact C-N 3.31Å; C102-E107 HydrophobicContact CB-CB 3.83Å; C102-I108 HydrophobicContact CB-CG1 3.6Å
103G92.6Very high97.3Very high67 Ų6742.6 Ų42.669%0.69126%0.257SS*.  trans-96.5-17.7173.300000113.9E107G103-E107 WeakPolarHBondContact CA-OE2 3.43Å; G103-E107 PolarHBondContact N-OE2 3.49Å
104T96.2Very high97.4Very high72 Ų7241.9 Ų41.944%0.44226%0.256SS..SBendtrans-128160-174.667.70000113.2A106 E107 I108T104-A106 VanDerWaalsContact C-N 3.31Å; T104-A106 PolarHBondContact O-N 3.16Å; T104-E107 PolarHBondContact N-OE2 2.93Å; T104-E107 PolarHBondContact O-N 3.02Å; T104-E107 VanDerWaalsContact OG1-CD 3.32Å; T104-E107 VanDerWaalsContact OG1-CG 3.29Å; T104-E107 WeakPolarHBondContact OG1-CG 3.45Å; T104-E107 PolarHBondContact OG1-N 3.43Å; T104-E107 PolarHBondContact OG1-OE2 2.94Å; T104-E107 VanDerWaalsContact OG1-OE2 3.08Å; T104-I108 PolarHBondContact O-N 2.95Å
105A97.2Very high97.4Very high18 Ų1841.7 Ų41.715%0.14926%0.255CS..Hα-helixtrans-57.7-44.1172.900000111.6E107 I108 L109 W132 F196 L224A105-E107 VanDerWaalsContact C-N 3.32Å; A105-E107 PolarHBondContact O-N 2.9Å; A105-I108 PolarHBondContact O-N 2.87Å; A105-L109 VanDerWaalsContact O-CG 3.28Å; A105-L109 WeakPolarHBondContact O-CG 3.47Å; A105-L109 PolarHBondContact O-N 2.89Å; A105-W132 HydrophobicContact CB-CH2 3.74Å; A105-W132 HydrophobicContact CB-CZ2 4.29Å; A105-F196 HydrophobicContact CB-CE1 4.24Å; A105-F196 HydrophobicContact CB-CZ 4.46Å; A105-L224 HydrophobicContact CB-CD1 3.88Å
106A97.9Very high97.4Very high48 Ų4845.2 Ų45.240%0.39727%0.268SS..Hα-helixtrans-59.4-40-179.700000112.8T104 L109 S110 L224T104-A106 VanDerWaalsContact C-N 3.31Å; T104-A106 PolarHBondContact O-N 3.16Å; A106-L109 PolarHBondContact O-N 2.8Å; A106-S110 WeakPolarHBondContact O-CB 3.34Å; A106-S110 PolarHBondContact O-N 2.95Å; A106-L224 HydrophobicContact CB-CD1 4.42Å; A106-L224 HydrophobicContact CB-CD2 4.24Å
107E98Very high97.4Very high86 Ų8645 Ų4540%0.40227%0.267SS..Hα-helixtrans-66.7-41.8176.2-70.3163.615600112C102 G103 T104 A105 S110 V111C102-E107 HydrophobicContact CB-CB 3.83Å; G103-E107 WeakPolarHBondContact CA-OE2 3.43Å; G103-E107 PolarHBondContact N-OE2 3.49Å; T104-E107 PolarHBondContact N-OE2 2.93Å; T104-E107 PolarHBondContact O-N 3.02Å; T104-E107 VanDerWaalsContact OG1-CD 3.32Å; T104-E107 VanDerWaalsContact OG1-CG 3.29Å; T104-E107 WeakPolarHBondContact OG1-CG 3.45Å; T104-E107 PolarHBondContact OG1-N 3.43Å; T104-E107 PolarHBondContact OG1-OE2 2.94Å; T104-E107 VanDerWaalsContact OG1-OE2 3.08Å; A105-E107 VanDerWaalsContact C-N 3.32Å; A105-E107 PolarHBondContact O-N 2.9Å; E107-S110 PolarHBondContact O-N 3.04Å; E107-V111 WeakPolarHBondContact O-CG2 3.48Å; E107-V111 PolarHBondContact O-N 2.92Å
108I98.1Very high97.4Very high1 Ų139.9 Ų39.91%0.00524%0.243CC..Hα-helixtrans-59-48.4173.8-67.3174.5000110.3L99 C102 T104 A105 S110 V111 L112 W132L99-I108 HydrophobicContact CD2-CG2 4.1Å; C102-I108 HydrophobicContact CB-CG1 3.6Å; T104-I108 PolarHBondContact O-N 2.95Å; A105-I108 PolarHBondContact O-N 2.87Å; I108-S110 VanDerWaalsContact C-N 3.31Å; I108-S110 PolarHBondContact O-N 2.75Å; I108-V111 PolarHBondContact O-N 2.9Å; I108-L112 HydrophobicContact CG2-CD1 3.89Å; I108-L112 HydrophobicContact CG2-CG 4.47Å; I108-L112 WeakPolarHBondContact O-CG 3.32Å; I108-L112 PolarHBondContact O-N 2.78Å; I108-W132 HydrophobicContact CD1-CD2 4.42Å; I108-W132 HydrophobicContact CD1-CZ2 3.75Å; I108-W132 HydrophobicContact CG2-CD2 4.5Å; I108-W132 HydrophobicContact CG2-CE3 4.43Å
109L98.4Very high97.4Very high4 Ų434.2 Ų34.22%0.02122%0.222CC..Hα-helixtrans-64-36.7179.5-60.5175.6000112A105 A106 L112 S113 V177 F196 L224 L226A105-L109 VanDerWaalsContact O-CG 3.28Å; A105-L109 WeakPolarHBondContact O-CG 3.47Å; A105-L109 PolarHBondContact O-N 2.89Å; A106-L109 PolarHBondContact O-N 2.8Å; L109-L112 PolarHBondContact O-N 3.44Å; L109-S113 WeakPolarHBondContact O-CB 3.22Å; L109-S113 PolarHBondContact O-N 3.06Å; L109-S113 PolarHBondContact O-OG 2.81Å; L109-V177 HydrophobicContact CD2-CG2 3.37Å; L109-F196 HydrophobicContact CD1-CB 4.14Å; L109-F196 HydrophobicContact CD1-CD1 3.61Å; L109-F196 HydrophobicContact CD1-CE1 4.36Å; L109-F196 HydrophobicContact CD1-CG 4.14Å; L109-F196 HydrophobicContact CD2-CB 3.7Å; L109-F196 HydrophobicContact CD2-CD1 4.25Å; L109-F196 HydrophobicContact CD2-CG 3.96Å; L109-F196 HydrophobicContact CG-CD1 4.43Å; L109-L224 HydrophobicContact CD1-CB 3.68Å; L109-L224 HydrophobicContact CD1-CD1 4.4Å; L109-L226 HydrophobicContact CB-CD2 4.49Å; L109-L226 HydrophobicContact CD2-CD1 4.47Å; L109-L226 HydrophobicContact CD2-CD2 4.1Å; L109-L226 HydrophobicContact CD2-CG 4Å
110S98.3Very high97.4Very high80 Ų8034.2 Ų34.256%0.55922%0.222SC*.Hα-helixtrans-62-45.8175.1-177.60000111.6A106 E107 I108 L112 S113 A114A106-S110 WeakPolarHBondContact O-CB 3.34Å; A106-S110 PolarHBondContact O-N 2.95Å; E107-S110 PolarHBondContact O-N 3.04Å; I108-S110 VanDerWaalsContact C-N 3.31Å; I108-S110 PolarHBondContact O-N 2.75Å; S110-L112 PolarHBondContact O-N 3.21Å; S110-S113 PolarHBondContact O-N 2.68Å; S110-A114 PolarHBondContact O-N 3.26Å; S110-A114 VanDerWaalsContact O-N 3.11Å
111V98.4Very high97.5Very high20 Ų2030.6 Ų30.612%0.12121%0.205CC..Hα-helixtrans-59.8-47.2175.3171.70000110.9L83 L95 R98 L99 E107 I108 A114L83-V111 HydrophobicContact CD1-CG1 4.11Å; L95-V111 HydrophobicContact CD1-CG1 3.73Å; R98-V111 HydrophobicContact CB-CG1 3.95Å; R98-V111 HydrophobicContact CB-CG2 4.23Å; L99-V111 HydrophobicContact CD2-CB 4.47Å; L99-V111 HydrophobicContact CD2-CG1 4.17Å; E107-V111 WeakPolarHBondContact O-CG2 3.48Å; E107-V111 PolarHBondContact O-N 2.92Å; I108-V111 PolarHBondContact O-N 2.9Å; V111-A114 PolarHBondContact O-N 2.92Å
112L98.4Very high97.6Very high0 Ų025.9 Ų25.90%017%0.172CC..Hα-helixtrans-68.5-35.4-178.4-65.7174.3000112.7I108 L109 S110 A114 V115 F121 V177 L226I108-L112 HydrophobicContact CG2-CD1 3.89Å; I108-L112 HydrophobicContact CG2-CG 4.47Å; I108-L112 WeakPolarHBondContact O-CG 3.32Å; I108-L112 PolarHBondContact O-N 2.78Å; L109-L112 PolarHBondContact O-N 3.44Å; S110-L112 PolarHBondContact O-N 3.21Å; L112-A114 VanDerWaalsContact C-N 3.28Å; L112-A114 PolarHBondContact O-N 3.33Å; L112-V115 PolarHBondContact O-N 3.01Å; L112-F121 HydrophobicContact CD1-CE1 3.87Å; L112-F121 HydrophobicContact CD1-CE2 4.43Å; L112-F121 HydrophobicContact CD1-CZ 3.58Å; L112-F121 HydrophobicContact CD2-CE1 4.17Å; L112-F121 HydrophobicContact CD2-CZ 4.31Å; L112-V177 HydrophobicContact CD1-CG1 4.04Å; L112-L226 HydrophobicContact CB-CD2 3.82Å
113S98Very high97.7Very high15 Ų1525.2 Ų25.211%0.10517%0.168CC..Hα-helixtrans-67.9-29.1176.8-60.30000112.3L109 S110 V115 L226 S227L109-S113 WeakPolarHBondContact O-CB 3.22Å; L109-S113 PolarHBondContact O-N 3.06Å; L109-S113 PolarHBondContact O-OG 2.81Å; S110-S113 PolarHBondContact O-N 2.68Å; S113-V115 VanDerWaalsContact C-N 3.33Å; S113-L226 WeakPolarHBondContact OG-CA 3.3Å; S113-L226 WeakPolarHBondContact OG-CB 3.41Å; S113-S227 PolarHBondContact OG-N 2.89Å
114A97.9Very high98Very high35 Ų3522.1 Ų22.129%0.28914%0.135SC..Hα-helixtrans-73.3-23.6177.600000112.9G82 L83 S110 V111 L112 R116G82-A114 CarbonylContact C-O 3.49Å; G82-A114 WeakPolarHBondContact CA-O 3.44Å; L83-A114 HydrophobicContact CD2-CB 3.7Å; L83-A114 HydrophobicContact CG-CB 4.2Å; S110-A114 PolarHBondContact O-N 3.26Å; S110-A114 VanDerWaalsContact O-N 3.11Å; V111-A114 PolarHBondContact O-N 2.92Å; L112-A114 VanDerWaalsContact C-N 3.28Å; L112-A114 PolarHBondContact O-N 3.33Å; A114-R116 PolarHBondContact O-N 3.26Å
115V98.3Very high98Very high5 Ų519.8 Ų19.83%0.0312%0.119CC..  trans-66.6123.6-175.6179.20000111.4W75 I79 L83 L112 S113 W119W75-V115 HydrophobicContact CH2-CG1 4.32Å; I79-V115 HydrophobicContact CG1-CG1 3.99Å; L83-V115 HydrophobicContact CD1-CG2 3.61Å; L83-V115 HydrophobicContact CG-CG2 4.16Å; L112-V115 PolarHBondContact O-N 3.01Å; S113-V115 VanDerWaalsContact C-N 3.33Å; V115-W119 VanDerWaalsContact CG1-CD1 3.47Å
116R97.6Very high97.9Very high73 Ų7322.9 Ų22.928%0.27513%0.127SC..BIsolated β-bridgetrans-104.3120.2167.7-54.1-63.8-178.6147.9-9.6109.6F80 G81 A114 P229 E513F80-R116 PolarHBondContact N-O 2.79Å; G81-R116 PolarHBondContact N-O 2.77Å; G81-R116 VanDerWaalsContact N-O 3.17Å; G81-R116 WeakPolarHBondContact O-CB 3.42Å; G81-R116 PolarHBondContact O-N 2.79Å; A114-R116 PolarHBondContact O-N 3.26Å; R116-P229 VanDerWaalsContact NH1-CB 3.29Å; R116-P229 PolarHBondContact NH1-O 3.45Å; R116-E513 VanDerWaalsContact NH1-CB 3.35Å
117G97Very high97.6Very high0 Ų025.2 Ų25.20%015%0.146CC..SBendtrans131.2169-175.400000113.8E78 R140 E513E78-G117 WeakPolarHBondContact O-CA 3.48Å; G117-R140 VanDerWaalsContact C-NH2 3.31Å; G117-R140 PolarHBondContact O-NH2 3.03Å; G117-E513 PolarHBondContact N-OE1 2.98Å
118P97.4Very high97.4Very high4 Ų423.6 Ų23.63%0.02615%0.147CC..  trans-75.6136.9-174.932.3-36.1000111.4G77 E78 F80 R140 R141G77-P118 CarbonylContact C-O 3.45Å; G77-P118 WeakPolarHBondContact CA-O 3.21Å; E78-P118 HydrophobicContact CB-CG 4.38Å; E78-P118 PolarHBondContact N-O 2.92Å; E78-P118 WeakPolarHBondContact O-CD 3.36Å; F80-P118 HydrophobicContact CE2-CG 4.2Å; P118-R140 HydrophobicContact CB-CB 3.48Å; P118-R140 VanDerWaalsContact CB-CB 3.48Å; P118-R140 HydrophobicContact CB-CG 4.34Å; P118-R141 HydrophobicContact CB-CG 4.08Å
119W98Very high97.2Very high2 Ų224 Ų241%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-158.2151.817653.5-98.2000115.3W75 N76 V115 F121 R135 D136 V177 W198W75-W119 HydrophobicContact CE3-CB 4.26Å; W75-W119 HydrophobicContact CH2-CB 3.06Å; W75-W119 AromaticContact CH2-CD1 3.76Å; W75-W119 HydrophobicContact CH2-CD2 4.09Å; W75-W119 AromaticContact CH2-CG 3.35Å; W75-W119 HydrophobicContact CH2-CG 3.35Å; W75-W119 HydrophobicContact CZ2-CB 3.54Å; W75-W119 HydrophobicContact CZ2-CG 4.19Å; W75-W119 HydrophobicContact CZ3-CB 3.46Å; W75-W119 VanDerWaalsContact CZ3-CB 3.46Å; W75-W119 HydrophobicContact CZ3-CD2 4.17Å; W75-W119 HydrophobicContact CZ3-CE3 4.38Å; W75-W119 AromaticContact CZ3-CG 3.81Å; W75-W119 HydrophobicContact CZ3-CG 3.81Å; N76-W119 CarbonylContact O-C 3.51Å; N76-W119 WeakPolarHBondContact O-CA 3.28Å; V115-W119 VanDerWaalsContact CG1-CD1 3.47Å; W119-F121 AromaticContact CE3-CD1 3.78Å; W119-F121 HydrophobicContact CE3-CD1 3.78Å; W119-F121 HydrophobicContact CE3-CE1 4.3Å; W119-F121 HydrophobicContact CH2-CE1 4.39Å; W119-F121 AromaticContact CZ3-CD1 3.59Å; W119-F121 HydrophobicContact CZ3-CD1 3.59Å; W119-F121 AromaticContact CZ3-CE1 3.65Å; W119-F121 HydrophobicContact CZ3-CE1 3.65Å; W119-R135 VanDerWaalsContact CE3-C 3.4Å; W119-R135 VanDerWaalsContact CH2-C 3.46Å; W119-R135 WeakPolarHBondContact CH2-O 3.18Å; W119-R135 WeakPolarHBondContact CZ3-O 3.38Å; W119-R135 CarbonylContact O-C 3.6Å; W119-R135 WeakPolarHBondContact O-CA 3.36Å; W119-D136 HydrophobicContact CD2-CB 3.65Å; W119-D136 VanDerWaalsContact CE2-CA 3.43Å; W119-D136 HydrophobicContact CE3-CB 4.36Å; W119-D136 VanDerWaalsContact CE3-N 3.28Å; W119-D136 HydrophobicContact CG-CB 3.73Å; W119-D136 HydrophobicContact CZ2-CB 4.15Å; W119-D136 PolarHBondContact N-OD2 2.74Å; W119-D136 PolarHBondContact O-N 3.17Å; W119-V177 HydrophobicContact CH2-CG1 4.13Å; W119-V177 HydrophobicContact CZ3-CG1 4.43Å; W119-W198 HydrophobicContact CH2-CH2 4.28Å; W119-W198 AromaticContact CH2-CZ2 3.84Å; W119-W198 HydrophobicContact CH2-CZ2 3.84Å; W119-W198 AromaticContact CZ2-CH2 3.8Å; W119-W198 HydrophobicContact CZ2-CH2 3.8Å; W119-W198 AromaticContact CZ2-CZ2 3.7Å; W119-W198 HydrophobicContact CZ2-CZ2 3.7Å
120A98.6Very high97Very high0 Ų024 Ų240%015%0.15CC..EExtended strand (participates in β ladder)trans-139.2143.4160.700000108N76 G134 R135 R141 L143N76-A120 PolarHBondContact N-O 2.92Å; N76-A120 PolarHBondContact O-N 3.49Å; A120-G134 WeakPolarHBondContact CA-O 3.44Å; A120-R135 HydrophobicContact CB-CG 4.06Å; A120-R141 HydrophobicContact CB-CB 3.73Å; A120-L143 HydrophobicContact CB-CB 4.08Å
121F98.7Very high97Very high0 Ų020.2 Ų20.20%012%0.123CC..EExtended strand (participates in β ladder)trans-145.7159.4-175.281.8-79.2000113.6L73 L74 W75 L112 W119 W132 F133 G134 V177L73-F121 HydrophobicContact CD1-CD2 4.45Å; L74-F121 CarbonylContact O-C 3.51Å; L74-F121 WeakPolarHBondContact O-CA 3.46Å; L74-F121 WeakPolarHBondContact O-CB 3.48Å; W75-F121 HydrophobicContact CE3-CB 3.77Å; W75-F121 HydrophobicContact CZ3-CB 4.16Å; L112-F121 HydrophobicContact CD1-CE1 3.87Å; L112-F121 HydrophobicContact CD1-CE2 4.43Å; L112-F121 HydrophobicContact CD1-CZ 3.58Å; L112-F121 HydrophobicContact CD2-CE1 4.17Å; L112-F121 HydrophobicContact CD2-CZ 4.31Å; W119-F121 AromaticContact CE3-CD1 3.78Å; W119-F121 HydrophobicContact CE3-CD1 3.78Å; W119-F121 HydrophobicContact CE3-CE1 4.3Å; W119-F121 HydrophobicContact CH2-CE1 4.39Å; W119-F121 AromaticContact CZ3-CD1 3.59Å; W119-F121 HydrophobicContact CZ3-CD1 3.59Å; W119-F121 AromaticContact CZ3-CE1 3.65Å; W119-F121 HydrophobicContact CZ3-CE1 3.65Å; F121-W132 HydrophobicContact CE2-CB 3.87Å; F121-W132 HydrophobicContact CZ-CB 4.29Å; F121-F133 VanDerWaalsContact O-CA 3.24Å; F121-F133 WeakPolarHBondContact O-CA 3.48Å; F121-F133 VanDerWaalsContact O-CB 3.29Å; F121-F133 WeakPolarHBondContact O-CB 3.44Å; F121-G134 PolarHBondContact N-O 3.19Å; F121-G134 VanDerWaalsContact N-O 3.08Å; F121-G134 PolarHBondContact O-N 3.01Å; F121-V177 HydrophobicContact CE1-CG1 3.95Å; F121-V177 HydrophobicContact CZ-CG1 4.28Å
122V98.8Very high97Very high0 Ų019.3 Ų19.30%012%0.118CC..EExtended strand (participates in β ladder)trans-133.1128.5164179.20000107.5I4 C6 L49 L74 L131 W132 F133 L154I4-V122 HydrophobicContact CG2-CG2 3.83Å; C6-V122 HydrophobicContact CB-CG1 4.14Å; C6-V122 HydrophobicContact CB-CG2 4.38Å; L49-V122 HydrophobicContact CD2-CG1 4.24Å; L74-V122 HydrophobicContact CB-CB 4.3Å; L74-V122 HydrophobicContact CD1-CB 4.49Å; L74-V122 PolarHBondContact N-O 3.48Å; L74-V122 PolarHBondContact O-N 3.03Å; V122-L131 HydrophobicContact CG1-CD1 3.59Å; V122-L131 HydrophobicContact CG1-CD2 4.49Å; V122-L131 HydrophobicContact CG1-CG 4.16Å; V122-W132 CarbonylContact C-O 3.08Å; V122-W132 WeakPolarHBondContact CA-O 3.3Å; V122-F133 HydrophobicContact CG2-CB 4.12Å; V122-L154 HydrophobicContact CG1-CD1 4.44Å; V122-L154 HydrophobicContact CG2-CB 4.38Å; V122-L154 HydrophobicContact CG2-CD1 3.78Å
123Y98.6Very high97.1Very high0 Ų019.3 Ų19.30%012%0.118CC..EExtended strand (participates in β ladder)trans-132.5111.4-178.8178.6-120000110.4N71 V72 L73 L99 Q125 W132N71-Y123 HydrophobicContact CB-CE2 3.56Å; N71-Y123 WeakPolarHBondContact CB-OH 3.44Å; N71-Y123 PolarHBondContact ND2-OH 2.94Å; V72-Y123 WeakPolarHBondContact O-CA 3.44Å; L73-Y123 HydrophobicContact CB-CD2 4.07Å; L73-Y123 HydrophobicContact CD1-CD2 4.13Å; L73-Y123 HydrophobicContact CD1-CG 4.48Å; L99-Y123 HydrophobicContact CB-CE1 4.2Å; L99-Y123 HydrophobicContact CB-CE2 4.27Å; L99-Y123 HydrophobicContact CD1-CD1 4.42Å; L99-Y123 HydrophobicContact CD1-CD2 4.27Å; L99-Y123 HydrophobicContact CD1-CE2 4.46Å; L99-Y123 HydrophobicContact CD1-CG 4.23Å; L99-Y123 PolarHBondContact O-OH 2.83Å; Y123-Q125 HydrophobicContact CE1-CB 4.1Å; Y123-Q125 HydrophobicContact CE1-CG 4.35Å; Y123-W132 HydrophobicContact CD1-CG 4.48Å; Y123-W132 PolarHBondContact N-O 3.14Å; Y123-W132 PolarHBondContact O-N 3.23Å
124H98Very high97Very high1 Ų118.6 Ų18.61%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-86.4115.4172.3176.4-97.4000109Y45 L49 N71 V72 L131 L182Y45-H124 PolarHBondContact OH-NE2 3Å; L49-H124 HydrophobicContact CD1-CB 4.39Å; N71-H124 CarbonylContact C-O 3.56Å; N71-H124 VanDerWaalsContact CA-O 3.24Å; N71-H124 WeakPolarHBondContact CA-O 3.42Å; N71-H124 WeakPolarHBondContact CB-O 3.46Å; V72-H124 HydrophobicContact CB-CB 4.31Å; V72-H124 PolarHBondContact N-O 3.44Å; V72-H124 PolarHBondContact O-N 3.01Å; H124-L131 HydrophobicContact CB-CD1 4.05Å; H124-L182 VanDerWaalsContact CD2-CD1 3.45Å; H124-L182 WeakPolarHBondContact CD2-CD1 3.32Å
125Q96.3Very high97Very high23 Ų2317 Ų1711%0.10710%0.099CC..EExtended strand (participates in β ladder)trans-96.9108.7177.1-168.9177.528.400109.4N71 Y123 A128 E129 C130N71-Q125 WeakPolarHBondContact OD1-CA 3.39Å; Y123-Q125 HydrophobicContact CE1-CB 4.1Å; Y123-Q125 HydrophobicContact CE1-CG 4.35Å; Q125-A128 HydrophobicContact CG-CB 4.1Å; Q125-E129 WeakPolarHBondContact O-CA 3.49Å; Q125-E129 PolarHBondContact O-N 2.98Å; Q125-C130 PolarHBondContact N-O 2.88Å; Q125-C130 PolarHBondContact O-N 2.82Å; Q125-C130 PolarHBondContact OE1-SG 3.35Å
126R94.4Very high97Very high84 Ų8416.8 Ų16.832%0.31710%0.098SC..THydrogen-bonded Turntrans-64.9-47.4-170.6177.659.9179-177.20.3112.6T39 R70 N71 E129T39-R126 PolarHBondContact O-NH1 3.41Å; R70-R126 HydrophobicContact CB-CB 4.4Å; R70-R126 HydrophobicContact CB-CG 4.22Å; N71-R126 PolarHBondContact OD1-N 3.41Å; R126-E129 WeakPolarHBondContact O-CG 3.42Å; R126-E129 PolarHBondContact O-N 2.85Å
127A92.8Very high96.9Very high96 Ų9614.4 Ų14.479%0.7939%0.089SC*.THydrogen-bonded Turntrans-66.5-39.9-174.500000112.7
128A93Very high96.9Very high52 Ų5215 Ų1543%0.439%0.092SC..THydrogen-bonded Turntrans-85.8-9.9179.400000113.3Q125 C130Q125-A128 HydrophobicContact CG-CB 4.1Å; A128-C130 VanDerWaalsContact C-N 3.3Å; A128-C130 PolarHBondContact O-N 3.47Å
129E93.9Very high96.8Very high9 Ų914.9 Ų14.94%0.0429%0.091CC..THydrogen-bonded Turntrans46.452.4-171.7-64.3-158.994.400112.9T41 Y45 Q125 R126 L182 K183T41-E129 PolarHBondContact N-OE1 3.13Å; Y45-E129 WeakPolarHBondContact CE1-OE1 3.46Å; Y45-E129 PolarHBondContact OH-OE1 3.22Å; Q125-E129 WeakPolarHBondContact O-CA 3.49Å; Q125-E129 PolarHBondContact O-N 2.98Å; R126-E129 WeakPolarHBondContact O-CG 3.42Å; R126-E129 PolarHBondContact O-N 2.85Å; E129-L182 WeakPolarHBondContact O-CB 3.21Å; E129-L182 WeakPolarHBondContact O-CG 3.44Å; E129-L182 PolarHBondContact O-N 3.27Å; E129-K183 HydrophobicContact CB-CG 4.14Å; E129-K183 WeakPolarHBondContact OE2-CE 3.45Å; E129-K183 IonicContact OE2-NZ 3.79Å
130C95.6Very high96.8Very high6 Ų614.9 Ų14.94%0.0419%0.091CC..EExtended strand (participates in β ladder)trans-128.3155.417562.60000111.6Q125 A128 W132 R179 V180Q125-C130 PolarHBondContact N-O 2.88Å; Q125-C130 PolarHBondContact O-N 2.82Å; Q125-C130 PolarHBondContact OE1-SG 3.35Å; A128-C130 VanDerWaalsContact C-N 3.3Å; A128-C130 PolarHBondContact O-N 3.47Å; C130-W132 PolarHBondContact SG-NE1 2.82Å; C130-R179 HydrophobicContact CB-CG 3.94Å; C130-V180 CarbonylContact C-O 3.54Å; C130-V180 VanDerWaalsContact CA-O 3.22Å; C130-V180 WeakPolarHBondContact CA-O 3.32Å; C130-V180 WeakPolarHBondContact CB-O 3.44Å
131L98Very high96.7Very high0 Ų014.9 Ų14.90%09%0.091CC..EExtended strand (participates in β ladder)trans-114.5116.1175.8-170.872.5000108.8V122 H124 M152 L154 R179 V180 L182V122-L131 HydrophobicContact CG1-CD1 3.59Å; V122-L131 HydrophobicContact CG1-CD2 4.49Å; V122-L131 HydrophobicContact CG1-CG 4.16Å; H124-L131 HydrophobicContact CB-CD1 4.05Å; L131-M152 HydrophobicContact CD2-CE 3.72Å; L131-L154 HydrophobicContact CD2-CD1 4.42Å; L131-R179 CarbonylContact O-C 3.57Å; L131-R179 WeakPolarHBondContact O-CA 3.21Å; L131-V180 HydrophobicContact CB-CB 4.44Å; L131-V180 PolarHBondContact N-O 2.83Å; L131-V180 PolarHBondContact O-N 2.87Å; L131-L182 HydrophobicContact CB-CD1 4.37Å; L131-L182 HydrophobicContact CB-CD2 4.02Å; L131-L182 HydrophobicContact CB-CG 4.4Å
132W98.6Very high96.7Very high1 Ų114.9 Ų14.90%0.0049%0.091CC..EExtended strand (participates in β ladder)trans-97.4141.3174.4-62.484.6000110A105 I108 F121 V122 Y123 C130 V177 F178 R179 F196A105-W132 HydrophobicContact CB-CH2 3.74Å; A105-W132 HydrophobicContact CB-CZ2 4.29Å; I108-W132 HydrophobicContact CD1-CD2 4.42Å; I108-W132 HydrophobicContact CD1-CZ2 3.75Å; I108-W132 HydrophobicContact CG2-CD2 4.5Å; I108-W132 HydrophobicContact CG2-CE3 4.43Å; F121-W132 HydrophobicContact CE2-CB 3.87Å; F121-W132 HydrophobicContact CZ-CB 4.29Å; V122-W132 CarbonylContact C-O 3.08Å; V122-W132 WeakPolarHBondContact CA-O 3.3Å; Y123-W132 HydrophobicContact CD1-CG 4.48Å; Y123-W132 PolarHBondContact N-O 3.14Å; Y123-W132 PolarHBondContact O-N 3.23Å; C130-W132 PolarHBondContact SG-NE1 2.82Å; W132-V177 HydrophobicContact CE3-CG2 4.41Å; W132-V177 HydrophobicContact CZ3-CG2 4.45Å; W132-F178 WeakPolarHBondContact CA-O 3.41Å; W132-R179 HydrophobicContact CD2-CB 4.23Å; W132-R179 HydrophobicContact CD2-CG 4.21Å; W132-R179 HydrophobicContact CE3-CB 4.02Å; W132-R179 HydrophobicContact CE3-CG 4.45Å; W132-R179 HydrophobicContact CH2-CB 4.49Å; W132-R179 HydrophobicContact CZ2-CG 4.32Å; W132-R179 HydrophobicContact CZ3-CB 4.15Å; W132-F196 HydrophobicContact CE3-CE2 4.36Å; W132-F196 HydrophobicContact CH2-CD2 4.48Å; W132-F196 HydrophobicContact CH2-CE1 4.48Å; W132-F196 AromaticContact CH2-CE2 3.83Å; W132-F196 HydrophobicContact CH2-CE2 3.83Å; W132-F196 AromaticContact CH2-CZ 3.81Å; W132-F196 HydrophobicContact CH2-CZ 3.81Å; W132-F196 AromaticContact CZ3-CD2 3.73Å; W132-F196 HydrophobicContact CZ3-CD2 3.73Å; W132-F196 AromaticContact CZ3-CE2 3.43Å; W132-F196 HydrophobicContact CZ3-CE2 3.43Å; W132-F196 VanDerWaalsContact CZ3-CE2 3.43Å; W132-F196 HydrophobicContact CZ3-CG 4.42Å; W132-F196 AromaticContact CZ3-CZ 3.88Å; W132-F196 HydrophobicContact CZ3-CZ 3.88Å
133F98.8Very high96.6Very high0 Ų014.9 Ų14.90%09%0.091CC..EExtended strand (participates in β ladder)trans-157.6161.7172.862.1-87.6000111.2F121 V122 L143 W145 M152 L154 V172 F178 V180 L193F121-F133 VanDerWaalsContact O-CA 3.24Å; F121-F133 WeakPolarHBondContact O-CA 3.48Å; F121-F133 VanDerWaalsContact O-CB 3.29Å; F121-F133 WeakPolarHBondContact O-CB 3.44Å; V122-F133 HydrophobicContact CG2-CB 4.12Å; F133-L143 HydrophobicContact CB-CD2 4.38Å; F133-L143 HydrophobicContact CD2-CD2 4.36Å; F133-W145 AromaticContact CE2-CE3 3.76Å; F133-W145 HydrophobicContact CE2-CE3 3.76Å; F133-W145 AromaticContact CE2-CZ3 3.91Å; F133-W145 HydrophobicContact CE2-CZ3 3.91Å; F133-W145 HydrophobicContact CZ-CE3 4.18Å; F133-W145 HydrophobicContact CZ-CZ3 4.31Å; F133-M152 HydrophobicContact CE1-CE 4.11Å; F133-M152 HydrophobicContact CE1-SD 4.49Å; F133-L154 HydrophobicContact CB-CD1 3.82Å; F133-L154 HydrophobicContact CD1-CD1 3.72Å; F133-L154 HydrophobicContact CD2-CD1 4.02Å; F133-L154 HydrophobicContact CD2-CD2 4.04Å; F133-L154 HydrophobicContact CE1-CD1 4.24Å; F133-L154 HydrophobicContact CE2-CD2 3.98Å; F133-L154 HydrophobicContact CG-CD1 3.58Å; F133-L154 HydrophobicContact CG-CD2 4.43Å; F133-L154 HydrophobicContact CZ-CD2 4.31Å; F133-V172 HydrophobicContact CD2-CG1 4.25Å; F133-V172 HydrophobicContact CE2-CG1 4.21Å; F133-V172 HydrophobicContact CE2-CG2 4.47Å; F133-F178 HydrophobicContact CD1-CB 4.29Å; F133-F178 HydrophobicContact CD2-CB 4.06Å; F133-F178 HydrophobicContact CD2-CD2 4.18Å; F133-F178 HydrophobicContact CD2-CG 4.45Å; F133-F178 HydrophobicContact CE1-CB 3.85Å; F133-F178 HydrophobicContact CE2-CB 3.58Å; F133-F178 AromaticContact CE2-CD2 3.86Å; F133-F178 HydrophobicContact CE2-CD2 3.86Å; F133-F178 AromaticContact CE2-CG 3.84Å; F133-F178 HydrophobicContact CE2-CG 3.84Å; F133-F178 HydrophobicContact CG-CB 4.4Å; F133-F178 HydrophobicContact CZ-CB 3.48Å; F133-F178 VanDerWaalsContact CZ-CB 3.48Å; F133-F178 HydrophobicContact CZ-CG 4.1Å; F133-F178 PolarHBondContact N-O 3.48Å; F133-F178 PolarHBondContact O-N 2.99Å; F133-V180 HydrophobicContact CE1-CG2 4.03Å; F133-L193 HydrophobicContact CE1-CD2 4.16Å; F133-L193 HydrophobicContact CZ-CD2 3.72Å
134G97.6Very high96.5Very high0 Ų014.9 Ų14.90%09%0.091CC..EExtended strand (participates in β ladder)trans166.9-172.1179.400000112.1A120 F121A120-G134 WeakPolarHBondContact CA-O 3.44Å; F121-G134 PolarHBondContact N-O 3.19Å; F121-G134 VanDerWaalsContact N-O 3.08Å; F121-G134 PolarHBondContact O-N 3.01Å
135R97.6Very high96.2Very high1 Ų115.3 Ų15.30%0.0049%0.093CC..EExtended strand (participates in β ladder)trans-136158.8-177.9-60.7167.567-165.47.3110W119 A120 G139 R141 L143 E171 V172 S488W119-R135 VanDerWaalsContact CE3-C 3.4Å; W119-R135 VanDerWaalsContact CH2-C 3.46Å; W119-R135 WeakPolarHBondContact CH2-O 3.18Å; W119-R135 WeakPolarHBondContact CZ3-O 3.38Å; W119-R135 CarbonylContact O-C 3.6Å; W119-R135 WeakPolarHBondContact O-CA 3.36Å; A120-R135 HydrophobicContact CB-CG 4.06Å; R135-G139 PolarHBondContact NH2-O 3.22Å; R135-R141 PolarHBondContact NE-O 3.46Å; R135-R141 PolarHBondContact NH2-O 2.66Å; R135-L143 HydrophobicContact CG-CB 3.96Å; R135-E171 IonicContact CZ-OE1 2.89Å; R135-E171 IonicContact NH1-OE1 3.39Å; R135-E171 IonicContact NH2-OE1 3.52Å; R135-V172 WeakPolarHBondContact CD-O 3.49Å; R135-V172 PolarHBondContact NH1-O 3.03Å; R135-S488 PolarHBondContact NH2-O 2.71Å
136D97.6Very high95.9Very high1 Ų114.4 Ų14.41%0.0059%0.089CC..  trans-60163.8174.975.593.9000111.9W119 F138 G139 R140W119-D136 HydrophobicContact CD2-CB 3.65Å; W119-D136 VanDerWaalsContact CE2-CA 3.43Å; W119-D136 HydrophobicContact CE3-CB 4.36Å; W119-D136 VanDerWaalsContact CE3-N 3.28Å; W119-D136 HydrophobicContact CG-CB 3.73Å; W119-D136 HydrophobicContact CZ2-CB 4.15Å; W119-D136 PolarHBondContact N-OD2 2.74Å; W119-D136 PolarHBondContact O-N 3.17Å; D136-F138 PolarHBondContact O-N 3.24Å; D136-F138 VanDerWaalsContact O-N 3.08Å; D136-F138 PolarHBondContact OD1-N 3.08Å; D136-F138 VanDerWaalsContact OD1-N 3.1Å; D136-G139 WeakPolarHBondContact O-CA 3.36Å; D136-G139 PolarHBondContact O-N 2.78Å; D136-G139 PolarHBondContact OD1-N 3.29Å; D136-R140 IonicContact OD1-CZ 3.26Å; D136-R140 VanDerWaalsContact OD1-CZ 3.23Å; D136-R140 IonicContact OD1-NE 2.85Å; D136-R140 PolarHBondContact OD1-NE 2.83Å; D136-R140 IonicContact OD1-NH2 2.66Å; D136-R140 PolarHBondContact OD1-NH2 3.33Å; D136-R140 WeakPolarHBondContact OD2-CB 3.46Å; D136-R140 PolarHBondContact OD2-N 3.29Å; D136-R140 IonicContact OD2-NE 3.67Å
137F96.4Very high95.6Very high22 Ų2211 Ų1110%0.0968%0.077CC..THydrogen-bonded Turntrans-49.5-38.7-175.9-179.5-97.8000114.2W198 H200 I203 A228 P229 V230F137-W198 HydrophobicContact CB-CD2 4.39Å; F137-W198 HydrophobicContact CB-CZ2 4.22Å; F137-W198 HydrophobicContact CD2-CB 4.07Å; F137-W198 AromaticContact CD2-CD2 3.88Å; F137-W198 HydrophobicContact CD2-CD2 3.88Å; F137-W198 HydrophobicContact CD2-CE3 4.27Å; F137-W198 AromaticContact CD2-CG 3.76Å; F137-W198 HydrophobicContact CD2-CG 3.76Å; F137-W198 HydrophobicContact CE2-CB 4.23Å; F137-W198 HydrophobicContact CE2-CG 4.39Å; F137-H200 HydrophobicContact CE2-CB 3.9Å; F137-H200 AromaticContact CE2-CG 3.93Å; F137-H200 HydrophobicContact CZ-CB 4.3Å; F137-H200 AromaticContact CZ-CD2 3.79Å; F137-H200 AromaticContact CZ-CG 3.81Å; F137-I203 HydrophobicContact CD2-CD1 4.48Å; F137-I203 HydrophobicContact CE2-CD1 3.97Å; F137-I203 HydrophobicContact CE2-CG1 4.24Å; F137-A228 HydrophobicContact CD2-CB 4.35Å; F137-A228 HydrophobicContact CE2-CB 3.96Å; F137-P229 HydrophobicContact CB-CG 3.57Å; F137-P229 HydrophobicContact CD1-CG 4.11Å; F137-P229 HydrophobicContact CD2-CG 4.37Å; F137-P229 HydrophobicContact CG-CG 3.77Å; F137-V230 HydrophobicContact CD1-CG2 3.94Å; F137-V230 HydrophobicContact CE1-CG2 3.35Å; F137-V230 HydrophobicContact CZ-CG2 3.86Å
138F95.9Very high95.1Very high14 Ų147.6 Ų7.66%0.0615%0.048CC..THydrogen-bonded Turntrans-88.5-14178.3-61.2-63.8000112.9D136 R140 V230 S488 L492 E513 V516D136-F138 PolarHBondContact O-N 3.24Å; D136-F138 VanDerWaalsContact O-N 3.08Å; D136-F138 PolarHBondContact OD1-N 3.08Å; D136-F138 VanDerWaalsContact OD1-N 3.1Å; F138-R140 HydrophobicContact CB-CG 4.01Å; F138-V230 HydrophobicContact CE1-CG2 4.41Å; F138-V230 HydrophobicContact CE2-CG1 4.45Å; F138-V230 HydrophobicContact CZ-CG1 3.9Å; F138-V230 HydrophobicContact CZ-CG2 4.07Å; F138-S488 WeakPolarHBondContact O-CA 3.47Å; F138-S488 WeakPolarHBondContact O-CB 3.43Å; F138-L492 HydrophobicContact CB-CD1 4.17Å; F138-L492 VanDerWaalsContact O-CD1 3.26Å; F138-L492 WeakPolarHBondContact O-CD1 3.46Å; F138-E513 HydrophobicContact CE2-CG 4.35Å; F138-V516 HydrophobicContact CE1-CG1 4.08Å; F138-V516 HydrophobicContact CE1-CG2 4.19Å; F138-V516 HydrophobicContact CE2-CG2 4.26Å; F138-V516 HydrophobicContact CZ-CB 3.92Å; F138-V516 HydrophobicContact CZ-CG1 3.79Å; F138-V516 HydrophobicContact CZ-CG2 3.65Å
139G96.2Very high94.5Very high0 Ų09.4 Ų9.40%06%0.063CC..  trans65.946.9-171.300000112.2R135 D136 R141 L492R135-G139 PolarHBondContact NH2-O 3.22Å; D136-G139 WeakPolarHBondContact O-CA 3.36Å; D136-G139 PolarHBondContact O-N 2.78Å; D136-G139 PolarHBondContact OD1-N 3.29Å; G139-R141 VanDerWaalsContact C-N 3.27Å; G139-R141 PolarHBondContact O-N 3.3Å; G139-L492 VanDerWaalsContact O-CB 3.23Å; G139-L492 WeakPolarHBondContact O-CB 3.32Å
140R97.1Very high94Very high3 Ų39.8 Ų9.81%0.0117%0.069CC..  trans-70.8-22.2-177.4-76.2164-69.4-174.11.7113.4G117 P118 D136 F138 L492 F508 L511 E513G117-R140 VanDerWaalsContact C-NH2 3.31Å; G117-R140 PolarHBondContact O-NH2 3.03Å; P118-R140 HydrophobicContact CB-CB 3.48Å; P118-R140 VanDerWaalsContact CB-CB 3.48Å; P118-R140 HydrophobicContact CB-CG 4.34Å; D136-R140 IonicContact OD1-CZ 3.26Å; D136-R140 VanDerWaalsContact OD1-CZ 3.23Å; D136-R140 IonicContact OD1-NE 2.85Å; D136-R140 PolarHBondContact OD1-NE 2.83Å; D136-R140 IonicContact OD1-NH2 2.66Å; D136-R140 PolarHBondContact OD1-NH2 3.33Å; D136-R140 WeakPolarHBondContact OD2-CB 3.46Å; D136-R140 PolarHBondContact OD2-N 3.29Å; D136-R140 IonicContact OD2-NE 3.67Å; F138-R140 HydrophobicContact CB-CG 4.01Å; R140-L492 HydrophobicContact CG-CD1 3.84Å; R140-F508 HydrophobicContact CB-CD2 4.07Å; R140-F508 HydrophobicContact CB-CE2 4.05Å; R140-F508 HydrophobicContact CG-CD2 3.9Å; R140-F508 HydrophobicContact CG-CE2 4.29Å; R140-F508 HydrophobicContact CG-CG 4.47Å; R140-L511 HydrophobicContact CG-CD1 4.43Å; R140-L511 PolarHBondContact NH1-O 3.16Å; R140-E513 IonicContact CZ-OE1 3.79Å; R140-E513 VanDerWaalsContact CZ-OE1 3.28Å; R140-E513 IonicContact NH1-OE1 3.27Å; R140-E513 PolarHBondContact NH1-OE1 2.89Å; R140-E513 IonicContact NH1-OE2 2.77Å; R140-E513 PolarHBondContact NH1-OE2 2.96Å; R140-E513 IonicContact NH2-OE1 3.95Å; R140-E513 PolarHBondContact NH2-OE1 3.3Å
141R97.6Very high93.7Very high0 Ų010.6 Ų10.60%07%0.074CC..SBendtrans-110.2137.2176.4-61.5-64.8-175.6-146.8-8110.4N76 P118 A120 R135 G139 D496 E505 A506N76-R141 WeakPolarHBondContact O-CG 3.48Å; P118-R141 HydrophobicContact CB-CG 4.08Å; A120-R141 HydrophobicContact CB-CB 3.73Å; R135-R141 PolarHBondContact NE-O 3.46Å; R135-R141 PolarHBondContact NH2-O 2.66Å; G139-R141 VanDerWaalsContact C-N 3.27Å; G139-R141 PolarHBondContact O-N 3.3Å; R141-D496 WeakPolarHBondContact CD-OD1 3.41Å; R141-D496 IonicContact CZ-OD1 3.86Å; R141-D496 IonicContact NH1-OD1 3.52Å; R141-D496 PolarHBondContact NH1-OD1 3.04Å; R141-E505 IonicContact CZ-OE1 3.6Å; R141-E505 IonicContact NH2-OE1 2.98Å; R141-E505 PolarHBondContact NH2-OE1 3.05Å; R141-A506 PolarHBondContact NH1-O 2.84Å
142S97Very high93.4Very high0 Ų010.6 Ų10.60%07%0.074CC..  trans-76.4138.3-179.5-1720000111.5E171 D496 R497S142-E171 VanDerWaalsContact CA-OE1 3.31Å; S142-E171 WeakPolarHBondContact CA-OE1 3.49Å; S142-E171 WeakPolarHBondContact CB-OE1 2.99Å; S142-E171 PolarHBondContact OG-OE1 2.74Å; S142-D496 PolarHBondContact N-OD2 2.7Å; S142-R497 WeakPolarHBondContact OG-CD 3.35Å; S142-R497 PolarHBondContact OG-NE 3.39Å; S142-R497 VanDerWaalsContact OG-NE 3.15Å
143L97.8Very high93.2Very high0 Ų010.8 Ų10.80%08%0.076CC..  trans-147.1122.5167.1-171.866.9000106.8I4 A120 F133 R135 L154 E171 V172I4-L143 HydrophobicContact CG2-CD1 4.31Å; A120-L143 HydrophobicContact CB-CB 4.08Å; F133-L143 HydrophobicContact CB-CD2 4.38Å; F133-L143 HydrophobicContact CD2-CD2 4.36Å; R135-L143 HydrophobicContact CG-CB 3.96Å; L143-L154 HydrophobicContact CD1-CB 4.28Å; L143-E171 PolarHBondContact N-OE1 2.91Å; L143-E171 VanDerWaalsContact N-OE1 3.09Å; L143-V172 HydrophobicContact CB-CB 4.36Å; L143-V172 HydrophobicContact CB-CG2 4.24Å; L143-V172 HydrophobicContact CD2-CB 4.48Å; L143-V172 HydrophobicContact CD2-CG2 4.09Å; L143-V172 HydrophobicContact CG-CB 4.47Å; L143-V172 HydrophobicContact CG-CG2 3.9Å; L143-V172 WeakPolarHBondContact O-CB 3.24Å; L143-V172 WeakPolarHBondContact O-CG2 3.25Å; L143-V172 PolarHBondContact O-N 2.72Å
144L95.6Very high93.1Very high0 Ų010.8 Ų10.80%08%0.076CC..EExtended strand (participates in β ladder)trans-108.2148.2-179.3-52.7173.7000108.7L154 T155 A158 W169 H170 E171L144-L154 CarbonylContact O-C 3.58Å; L144-L154 VanDerWaalsContact O-CA 3.23Å; L144-L154 WeakPolarHBondContact O-CA 3.13Å; L144-T155 HydrophobicContact CB-CG2 4.03Å; L144-T155 WeakPolarHBondContact CB-O 3.37Å; L144-T155 HydrophobicContact CD1-CG2 4.37Å; L144-T155 PolarHBondContact N-O 2.82Å; L144-T155 PolarHBondContact O-N 2.88Å; L144-A158 HydrophobicContact CD1-CB 3.37Å; L144-W169 HydrophobicContact CB-CE3 3.91Å; L144-H170 CarbonylContact C-O 3.59Å; L144-H170 VanDerWaalsContact CA-O 3.27Å; L144-H170 WeakPolarHBondContact CA-O 3.36Å; L144-E171 HydrophobicContact CD2-CB 4.21Å; L144-E171 VanDerWaalsContact CD2-CD 3.48Å; L144-E171 HydrophobicContact CD2-CG 4.33Å; L144-E171 VanDerWaalsContact CD2-OE2 3.25Å; L144-E171 WeakPolarHBondContact CD2-OE2 3.21Å
145W93.3Very high93.1Very high9 Ų910.8 Ų10.83%0.0348%0.076CC..EExtended strand (participates in β ladder)trans-117.1153.8166.757.427.2000111.7F133 F147 T153 L154 W169 H170 V172 P173 F178 L193 L211F133-W145 AromaticContact CE2-CE3 3.76Å; F133-W145 HydrophobicContact CE2-CE3 3.76Å; F133-W145 AromaticContact CE2-CZ3 3.91Å; F133-W145 HydrophobicContact CE2-CZ3 3.91Å; F133-W145 HydrophobicContact CZ-CE3 4.18Å; F133-W145 HydrophobicContact CZ-CZ3 4.31Å; W145-F147 HydrophobicContact CB-CE2 4.03Å; W145-F147 HydrophobicContact CB-CZ 4.13Å; W145-F147 AromaticContact CD1-CE2 3.75Å; W145-F147 AromaticContact CD2-CE2 3.73Å; W145-F147 HydrophobicContact CD2-CE2 3.73Å; W145-F147 AromaticContact CD2-CZ 3.78Å; W145-F147 HydrophobicContact CD2-CZ 3.78Å; W145-F147 HydrophobicContact CE3-CE2 4.3Å; W145-F147 AromaticContact CE3-CZ 3.88Å; W145-F147 HydrophobicContact CE3-CZ 3.88Å; W145-F147 AromaticContact CG-CE2 3.58Å; W145-F147 HydrophobicContact CG-CE2 3.58Å; W145-F147 AromaticContact CG-CZ 3.9Å; W145-F147 HydrophobicContact CG-CZ 3.9Å; W145-T153 CarbonylContact C-O 3.38Å; W145-T153 WeakPolarHBondContact CA-O 3.43Å; W145-L154 HydrophobicContact CB-CD2 3.74Å; W145-W169 WeakPolarHBondContact O-CA 3.19Å; W145-H170 VanDerWaalsContact CD1-O 3.31Å; W145-H170 PolarHBondContact N-O 3.18Å; W145-H170 PolarHBondContact O-N 3.07Å; W145-V172 HydrophobicContact CB-CG2 4.06Å; W145-V172 HydrophobicContact CD2-CG2 3.83Å; W145-V172 HydrophobicContact CE3-CB 4.36Å; W145-V172 HydrophobicContact CE3-CG1 4.24Å; W145-V172 HydrophobicContact CE3-CG2 3.71Å; W145-V172 HydrophobicContact CG-CG2 4.01Å; W145-V172 HydrophobicContact CZ3-CG1 4.13Å; W145-V172 HydrophobicContact CZ3-CG2 4.41Å; W145-P173 HydrophobicContact CH2-CG 4.12Å; W145-P173 HydrophobicContact CZ2-CG 4.08Å; W145-F178 HydrophobicContact CH2-CE1 4.03Å; W145-F178 HydrophobicContact CH2-CZ 4.09Å; W145-F178 HydrophobicContact CZ3-CD1 4.2Å; W145-F178 HydrophobicContact CZ3-CD2 4.46Å; W145-F178 HydrophobicContact CZ3-CE1 4.1Å; W145-F178 HydrophobicContact CZ3-CE2 4.39Å; W145-F178 HydrophobicContact CZ3-CG 4.39Å; W145-F178 HydrophobicContact CZ3-CZ 4.21Å; W145-L193 HydrophobicContact CH2-CD1 4.26Å; W145-L193 HydrophobicContact CZ3-CD1 3.93Å; W145-L211 HydrophobicContact CZ2-CD2 4.31Å
146S89.9Confident93.1Very high4 Ų410.8 Ų10.83%0.0288%0.075CC..EExtended strand (participates in β ladder)trans-142.8140.6164.4-177.30000107.7T153 R167S146-T153 PolarHBondContact N-O 2.83Å; S146-T153 PolarHBondContact O-N 3.22Å; S146-R167 WeakPolarHBondContact OG-CB 3.28Å
147F87.1Confident92.9Very high14 Ų1410.8 Ų10.86%0.0618%0.076CC..EExtended strand (participates in β ladder)trans-119.6140.8178.5-52.1-92.2000108W145 M152 V191 L193 L211 P212 Y214 C215W145-F147 HydrophobicContact CB-CE2 4.03Å; W145-F147 HydrophobicContact CB-CZ 4.13Å; W145-F147 AromaticContact CD1-CE2 3.75Å; W145-F147 AromaticContact CD2-CE2 3.73Å; W145-F147 HydrophobicContact CD2-CE2 3.73Å; W145-F147 AromaticContact CD2-CZ 3.78Å; W145-F147 HydrophobicContact CD2-CZ 3.78Å; W145-F147 HydrophobicContact CE3-CE2 4.3Å; W145-F147 AromaticContact CE3-CZ 3.88Å; W145-F147 HydrophobicContact CE3-CZ 3.88Å; W145-F147 AromaticContact CG-CE2 3.58Å; W145-F147 HydrophobicContact CG-CE2 3.58Å; W145-F147 AromaticContact CG-CZ 3.9Å; W145-F147 HydrophobicContact CG-CZ 3.9Å; F147-M152 HydrophobicContact CD1-CB 4.14Å; F147-M152 HydrophobicContact CD1-CG 3.74Å; F147-M152 HydrophobicContact CD1-SD 4.21Å; F147-M152 HydrophobicContact CE1-CB 4.42Å; F147-M152 HydrophobicContact CE1-CG 3.61Å; F147-M152 HydrophobicContact CE1-SD 3.55Å; F147-M152 VanDerWaalsContact CE1-SD 3.55Å; F147-M152 HydrophobicContact CZ-CG 4.5Å; F147-M152 HydrophobicContact CZ-SD 4.38Å; F147-V191 HydrophobicContact CD1-CB 4.37Å; F147-V191 HydrophobicContact CD1-CG1 4.49Å; F147-V191 HydrophobicContact CD1-CG2 4.19Å; F147-V191 HydrophobicContact CE1-CB 4.41Å; F147-V191 HydrophobicContact CE1-CG1 4.07Å; F147-L193 HydrophobicContact CE1-CD1 4.45Å; F147-L193 HydrophobicContact CZ-CD1 4.01Å; F147-L211 HydrophobicContact CE2-CD2 3.91Å; F147-L211 HydrophobicContact CZ-CD2 4.39Å; F147-P212 HydrophobicContact CB-CG 4.22Å; F147-Y214 HydrophobicContact CB-CD2 4.25Å; F147-Y214 HydrophobicContact CB-CE2 3.54Å; F147-Y214 PolarHBondContact O-OH 3.01Å; F147-C215 HydrophobicContact CD1-CB 4.31Å; F147-C215 HydrophobicContact CG-CB 4.42Å
148A82.5Confident92.5Very high23 Ų239.8 Ų9.819%0.197%0.071CC..EExtended strand (participates in β ladder)trans-138.9175.2166.400000109G150 T151A148-G150 PolarHBondContact O-N 2.76Å; A148-T151 PolarHBondContact N-O 3.29Å; A148-T151 PolarHBondContact O-N 3.2Å; A148-T151 VanDerWaalsContact O-N 3.09Å
149A79.8Confident92Very high90 Ų909.3 Ų9.374%0.7447%0.07SC*.THydrogen-bonded Turntrans-58.7113.7-179.800000110.6T151A149-T151 VanDerWaalsContact C-N 3.27Å; A149-T151 PolarHBondContact O-N 3.08Å
150G84.7Confident91.2Very high17 Ų1711.7 Ų11.718%0.1758%0.081CC..THydrogen-bonded Turntrans7212.2179.800000115.6S9 R10 A148 F185S9-G150 WeakPolarHBondContact CA-O 3.36Å; R10-G150 PolarHBondContact N-O 3.46Å; R10-G150 VanDerWaalsContact N-O 3.14Å; A148-G150 PolarHBondContact O-N 2.76Å; G150-F185 WeakPolarHBondContact O-CZ 3.37Å
151T88.9Confident89.6Confident24 Ų2413.6 Ų13.615%0.14710%0.095CC..EExtended strand (participates in β ladder)trans-139.7146.2174.967.80000113.4L8 A148 A149L8-T151 CarbonylContact O-C 3.55Å; L8-T151 WeakPolarHBondContact O-CA 3.17Å; A148-T151 PolarHBondContact N-O 3.29Å; A148-T151 PolarHBondContact O-N 3.2Å; A148-T151 VanDerWaalsContact O-N 3.09Å; A149-T151 VanDerWaalsContact C-N 3.27Å; A149-T151 PolarHBondContact O-N 3.08Å
152M92.4Very high87.5Confident0 Ų022.5 Ų22.50%014%0.142CC..EExtended strand (participates in β ladder)trans-131.5127.7169.3179.9-177.680.100108.6L8 L131 F133 F147 L154 V180 V191L8-M152 HydrophobicContact CB-CB 4.33Å; L8-M152 HydrophobicContact CD2-CE 4.22Å; L8-M152 PolarHBondContact N-O 3Å; L8-M152 PolarHBondContact O-N 2.9Å; L131-M152 HydrophobicContact CD2-CE 3.72Å; F133-M152 HydrophobicContact CE1-CE 4.11Å; F133-M152 HydrophobicContact CE1-SD 4.49Å; F147-M152 HydrophobicContact CD1-CB 4.14Å; F147-M152 HydrophobicContact CD1-CG 3.74Å; F147-M152 HydrophobicContact CD1-SD 4.21Å; F147-M152 HydrophobicContact CE1-CB 4.42Å; F147-M152 HydrophobicContact CE1-CG 3.61Å; F147-M152 HydrophobicContact CE1-SD 3.55Å; F147-M152 VanDerWaalsContact CE1-SD 3.55Å; F147-M152 HydrophobicContact CZ-CG 4.5Å; F147-M152 HydrophobicContact CZ-SD 4.38Å; M152-L154 HydrophobicContact CE-CD1 4.09Å; M152-L154 HydrophobicContact CE-CG 4.2Å; M152-V180 HydrophobicContact CE-CG2 4.18Å; M152-V180 HydrophobicContact SD-CG2 4.28Å; M152-V191 HydrophobicContact CB-CG2 4.13Å; M152-V191 HydrophobicContact SD-CG1 3.96Å
153T93.7Very high85.1Confident5 Ų525.8 Ų25.83%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-112.8130.9174.5-49.50000110F5 C6 L7 W145 S146 W169F5-T153 HydrophobicContact CD2-CG2 4.2Å; F5-T153 HydrophobicContact CE2-CG2 3.58Å; F5-T153 HydrophobicContact CZ-CG2 3.99Å; C6-T153 CarbonylContact O-C 3.45Å; C6-T153 WeakPolarHBondContact O-CA 3.33Å; L7-T153 WeakPolarHBondContact CD1-OG1 3.27Å; W145-T153 CarbonylContact C-O 3.38Å; W145-T153 WeakPolarHBondContact CA-O 3.43Å; S146-T153 PolarHBondContact N-O 2.83Å; S146-T153 PolarHBondContact O-N 3.22Å; T153-W169 HydrophobicContact CG2-CH2 3.63Å; T153-W169 HydrophobicContact CG2-CZ3 4.05Å
154L96.4Very high82.4Confident0 Ų031.9 Ų31.90%021%0.211CC..EExtended strand (participates in β ladder)trans-111.8134.8166.3-56.4171.2000108.6F5 C6 V122 L131 F133 L143 L144 W145 M152 V172F5-L154 CarbonylContact C-O 3.52Å; F5-L154 WeakPolarHBondContact CA-O 3.32Å; C6-L154 HydrophobicContact CB-CB 4.15Å; C6-L154 PolarHBondContact N-O 2.98Å; C6-L154 PolarHBondContact O-N 3.4Å; V122-L154 HydrophobicContact CG1-CD1 4.44Å; V122-L154 HydrophobicContact CG2-CB 4.38Å; V122-L154 HydrophobicContact CG2-CD1 3.78Å; L131-L154 HydrophobicContact CD2-CD1 4.42Å; F133-L154 HydrophobicContact CB-CD1 3.82Å; F133-L154 HydrophobicContact CD1-CD1 3.72Å; F133-L154 HydrophobicContact CD2-CD1 4.02Å; F133-L154 HydrophobicContact CD2-CD2 4.04Å; F133-L154 HydrophobicContact CE1-CD1 4.24Å; F133-L154 HydrophobicContact CE2-CD2 3.98Å; F133-L154 HydrophobicContact CG-CD1 3.58Å; F133-L154 HydrophobicContact CG-CD2 4.43Å; F133-L154 HydrophobicContact CZ-CD2 4.31Å; L143-L154 HydrophobicContact CD1-CB 4.28Å; L144-L154 CarbonylContact O-C 3.58Å; L144-L154 VanDerWaalsContact O-CA 3.23Å; L144-L154 WeakPolarHBondContact O-CA 3.13Å; W145-L154 HydrophobicContact CB-CD2 3.74Å; M152-L154 HydrophobicContact CE-CD1 4.09Å; M152-L154 HydrophobicContact CE-CG 4.2Å; L154-V172 HydrophobicContact CD2-CG2 4.35Å
155T96.9Very high80.2Confident0 Ų036.5 Ų36.50%024%0.236CC..EExtended strand (participates in β ladder)trans-153.9148.5-179.2-178.50000112.2I4 L144 V157 W169I4-T155 CarbonylContact O-C 3.27Å; I4-T155 VanDerWaalsContact O-CA 3.22Å; I4-T155 WeakPolarHBondContact O-CA 3.32Å; I4-T155 PolarHBondContact O-OG1 2.87Å; L144-T155 HydrophobicContact CB-CG2 4.03Å; L144-T155 WeakPolarHBondContact CB-O 3.37Å; L144-T155 HydrophobicContact CD1-CG2 4.37Å; L144-T155 PolarHBondContact N-O 2.82Å; L144-T155 PolarHBondContact O-N 2.88Å; T155-V157 VanDerWaalsContact C-N 3.29Å; T155-V157 WeakPolarHBondContact CB-O 3.3Å; T155-V157 WeakPolarHBondContact CG2-O 3.32Å; T155-V157 PolarHBondContact OG1-N 3.05Å; T155-V157 PolarHBondContact OG1-O 2.92Å; T155-W169 HydrophobicContact CG2-CE3 3.84Å; T155-W169 HydrophobicContact CG2-CH2 3.5Å; T155-W169 VanDerWaalsContact CG2-CH2 3.5Å; T155-W169 HydrophobicContact CG2-CZ2 4.27Å; T155-W169 HydrophobicContact CG2-CZ3 3.26Å
156S97.4Very high78.1Confident0 Ų041 Ų410%027%0.266CS..SBendtrans-73.1-19.9172.7-640000113.5I4 R497I4-S156 PolarHBondContact N-OG 3.27Å; I4-S156 PolarHBondContact O-N 3.37Å; S156-R497 WeakPolarHBondContact O-CD 3.06Å; S156-R497 VanDerWaalsContact O-CG 3.25Å; S156-R497 WeakPolarHBondContact O-CG 3.28Å
157V94.7Very high76.6Confident2 Ų245.3 Ų45.31%0.01228%0.282CS..SBendtrans-142.8145.2-178.4-63.90000110.2V21 P24 L25 T155 L406 R497V21-V157 HydrophobicContact CG1-CG2 4.47Å; P24-V157 HydrophobicContact CB-CB 4.38Å; P24-V157 HydrophobicContact CB-CG2 3.89Å; L25-V157 HydrophobicContact CB-CG2 4.48Å; L25-V157 HydrophobicContact CD2-CG2 3.58Å; L25-V157 HydrophobicContact CG-CG2 3.52Å; T155-V157 VanDerWaalsContact C-N 3.29Å; T155-V157 WeakPolarHBondContact CB-O 3.3Å; T155-V157 WeakPolarHBondContact CG2-O 3.32Å; T155-V157 PolarHBondContact OG1-N 3.05Å; T155-V157 PolarHBondContact OG1-O 2.92Å; V157-L406 HydrophobicContact CG1-CD2 4.21Å; V157-R497 HydrophobicContact CG1-CB 4.35Å; V157-R497 HydrophobicContact CG1-CG 3.93Å
158A88.3Confident76.2Confident0 Ų053.7 Ų53.70%031%0.313CS..  trans-108.7163.3176.800000110.5L144 W169 H405 L408L144-A158 HydrophobicContact CD1-CB 3.37Å; A158-W169 HydrophobicContact CB-CB 4.01Å; A158-W169 HydrophobicContact CB-CD2 3.72Å; A158-W169 HydrophobicContact CB-CG 3.42Å; A158-W169 VanDerWaalsContact CB-CG 3.42Å; A158-H405 CarbonylContact O-C 3.41Å; A158-H405 WeakPolarHBondContact O-CB 3.33Å; A158-L408 HydrophobicContact CB-CB 4.04Å; A158-L408 HydrophobicContact CB-CD1 3.88Å
159A85.6Confident76.5Confident4 Ų453.4 Ų53.43%0.03331%0.307CS..  trans-129.8156.5168.200000110.3A20 V21 S161 W169A20-A159 HydrophobicContact CB-CB 3.52Å; A20-A159 WeakPolarHBondContact O-CB 3.34Å; V21-A159 HydrophobicContact CG2-CB 3.66Å; A159-S161 PolarHBondContact O-N 3.2Å; A159-W169 PolarHBondContact O-NE1 2.89Å
160H77.8Confident77Confident50 Ų5051.7 Ų51.723%0.23128%0.284CS..  trans-80.4116.8169.9-76.6-82.6000106.5R404 H405 L408 L585H160-R404 PolarHBondContact NE2-O 3.04Å; H160-H405 AromaticContact CD2-ND1 3.68Å; H160-H405 PolarHBondContact N-ND1 2.87Å; H160-L408 VanDerWaalsContact CE1-CD2 3.49Å; H160-L408 WeakPolarHBondContact CE1-CD2 3.34Å; H160-L585 PolarHBondContact NE2-O 2.96Å
161S64.8Low77.3Confident44 Ų4452 Ų5231%0.30828%0.28SS..  trans-73.7136.8175.3173.70000110.3A159 A163A159-S161 PolarHBondContact O-N 3.2Å; S161-A163 VanDerWaalsContact C-N 3.3Å; S161-A163 PolarHBondContact OG-N 2.86Å; S161-A163 PolarHBondContact OG-O 3.05Å
162L53.2Low77.6Confident187 Ų18750.8 Ų50.898%0.97927%0.273SS*.SBendtrans-76.5-20.1168.4-71.3166.4000112.2
163A45.7Very low77.6Confident68 Ų6852.9 Ų52.956%0.56229%0.286SS*.SBendtrans-81.3141.6178.400000110.9S161 D165S161-A163 VanDerWaalsContact C-N 3.3Å; S161-A163 PolarHBondContact OG-N 2.86Å; S161-A163 PolarHBondContact OG-O 3.05Å; A163-D165 PolarHBondContact O-N 3.33Å
164S40.9Very low77.5Confident128 Ų12853 Ų5390%0.89529%0.288SS*.SBendtrans-59.18.4-173.243.90000117.2P166S164-P166 WeakPolarHBondContact O-CD 3.34Å
165D49.2Very low77.3Confident98 Ų9853.3 Ų53.352%0.52429%0.291SS..  trans-100.9105.1171.7-162.6-3.9000109.7A163 R167A163-D165 PolarHBondContact O-N 3.33Å; D165-R167 PolarHBondContact O-N 2.81Å
166P50.4Low77.1Confident102 Ų10253.3 Ų53.366%0.66229%0.291SS*.  trans-70.884.1175.430.8-32.8000108.3S164 R168S164-P166 WeakPolarHBondContact O-CD 3.34Å; P166-R168 PolarHBondContact O-N 2.96Å
167R58.6Low77.1Confident96 Ų9653.3 Ų53.336%0.36229%0.291SS..  trans-56.988.3158.6-77.5-171-81.1-163.1-2.5107.1S146 D165 W169S146-R167 WeakPolarHBondContact OG-CB 3.28Å; D165-R167 PolarHBondContact O-N 2.81Å; R167-W169 PolarHBondContact O-N 2.89Å
168R78.9Confident77.2Confident189 Ų18953.4 Ų53.471%0.71329%0.291SS*.  trans-68.889.5174-80.2-173.7168.7-177.8-1.2105.7P166 H170P166-R168 PolarHBondContact O-N 2.96Å; R168-H170 VanDerWaalsContact CB-CE1 3.49Å; R168-H170 WeakPolarHBondContact CB-CE1 3.29Å; R168-H170 PolarHBondContact O-CE1 2.62Å; R168-H170 VanDerWaalsContact O-CE1 3.29Å; R168-H170 PolarHBondContact O-N 3.34Å; R168-H170 PolarHBondContact O-ND1 3.2Å
169W87.7Confident77.7Confident18 Ų1856.7 Ų56.77%0.06830%0.303CS..  trans-54.7136.4164.6-64.9104.2000107.8L144 W145 T153 T155 A158 A159 R167 P409L144-W169 HydrophobicContact CB-CE3 3.91Å; W145-W169 WeakPolarHBondContact O-CA 3.19Å; T153-W169 HydrophobicContact CG2-CH2 3.63Å; T153-W169 HydrophobicContact CG2-CZ3 4.05Å; T155-W169 HydrophobicContact CG2-CE3 3.84Å; T155-W169 HydrophobicContact CG2-CH2 3.5Å; T155-W169 VanDerWaalsContact CG2-CH2 3.5Å; T155-W169 HydrophobicContact CG2-CZ2 4.27Å; T155-W169 HydrophobicContact CG2-CZ3 3.26Å; A158-W169 HydrophobicContact CB-CB 4.01Å; A158-W169 HydrophobicContact CB-CD2 3.72Å; A158-W169 HydrophobicContact CB-CG 3.42Å; A158-W169 VanDerWaalsContact CB-CG 3.42Å; A159-W169 PolarHBondContact O-NE1 2.89Å; R167-W169 PolarHBondContact O-N 2.89Å; W169-P409 WeakPolarHBondContact O-CB 3.23Å
170H90Very high78.2Confident54 Ų5456.5 Ų56.525%0.2530%0.302CS..EExtended strand (participates in β ladder)trans-130.7149.7167.2-5881.2000107.3L144 W145 R168 V172L144-H170 CarbonylContact C-O 3.59Å; L144-H170 VanDerWaalsContact CA-O 3.27Å; L144-H170 WeakPolarHBondContact CA-O 3.36Å; W145-H170 VanDerWaalsContact CD1-O 3.31Å; W145-H170 PolarHBondContact N-O 3.18Å; W145-H170 PolarHBondContact O-N 3.07Å; R168-H170 VanDerWaalsContact CB-CE1 3.49Å; R168-H170 WeakPolarHBondContact CB-CE1 3.29Å; R168-H170 PolarHBondContact O-CE1 2.62Å; R168-H170 VanDerWaalsContact O-CE1 3.29Å; R168-H170 PolarHBondContact O-N 3.34Å; R168-H170 PolarHBondContact O-ND1 3.2Å; H170-V172 PolarHBondContact O-N 3.07Å
171E92.1Very high79Confident22 Ų2257.9 Ų57.910%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-71.4132.1174.8-162.183.8-14000108.5R135 S142 L143 L144 P173 P409 R497R135-E171 IonicContact CZ-OE1 2.89Å; R135-E171 IonicContact NH1-OE1 3.39Å; R135-E171 IonicContact NH2-OE1 3.52Å; S142-E171 VanDerWaalsContact CA-OE1 3.31Å; S142-E171 WeakPolarHBondContact CA-OE1 3.49Å; S142-E171 WeakPolarHBondContact CB-OE1 2.99Å; S142-E171 PolarHBondContact OG-OE1 2.74Å; L143-E171 PolarHBondContact N-OE1 2.91Å; L143-E171 VanDerWaalsContact N-OE1 3.09Å; L144-E171 HydrophobicContact CD2-CB 4.21Å; L144-E171 VanDerWaalsContact CD2-CD 3.48Å; L144-E171 HydrophobicContact CD2-CG 4.33Å; L144-E171 VanDerWaalsContact CD2-OE2 3.25Å; L144-E171 WeakPolarHBondContact CD2-OE2 3.21Å; E171-P173 WeakPolarHBondContact O-CD 3.39Å; E171-P409 HydrophobicContact CB-CG 4.41Å; E171-R497 IonicContact OE2-CZ 3.73Å; E171-R497 IonicContact OE2-NH2 3.78Å; E171-R497 PolarHBondContact OE2-NH2 3.19Å
172V94.1Very high80.4Confident0 Ų055.8 Ų55.80%030%0.296CS..PPolyproline II helixtrans-60.7123.1171177.50000107.2F133 R135 L143 W145 L154 H170 A174 F178F133-V172 HydrophobicContact CD2-CG1 4.25Å; F133-V172 HydrophobicContact CE2-CG1 4.21Å; F133-V172 HydrophobicContact CE2-CG2 4.47Å; R135-V172 WeakPolarHBondContact CD-O 3.49Å; R135-V172 PolarHBondContact NH1-O 3.03Å; L143-V172 HydrophobicContact CB-CB 4.36Å; L143-V172 HydrophobicContact CB-CG2 4.24Å; L143-V172 HydrophobicContact CD2-CB 4.48Å; L143-V172 HydrophobicContact CD2-CG2 4.09Å; L143-V172 HydrophobicContact CG-CB 4.47Å; L143-V172 HydrophobicContact CG-CG2 3.9Å; L143-V172 WeakPolarHBondContact O-CB 3.24Å; L143-V172 WeakPolarHBondContact O-CG2 3.25Å; L143-V172 PolarHBondContact O-N 2.72Å; W145-V172 HydrophobicContact CB-CG2 4.06Å; W145-V172 HydrophobicContact CD2-CG2 3.83Å; W145-V172 HydrophobicContact CE3-CB 4.36Å; W145-V172 HydrophobicContact CE3-CG1 4.24Å; W145-V172 HydrophobicContact CE3-CG2 3.71Å; W145-V172 HydrophobicContact CG-CG2 4.01Å; W145-V172 HydrophobicContact CZ3-CG1 4.13Å; W145-V172 HydrophobicContact CZ3-CG2 4.41Å; L154-V172 HydrophobicContact CD2-CG2 4.35Å; H170-V172 PolarHBondContact O-N 3.07Å; V172-A174 PolarHBondContact O-N 3.08Å; V172-F178 HydrophobicContact CG1-CD2 3.96Å; V172-F178 HydrophobicContact CG1-CE2 3.65Å
173P92.5Very high82.3Confident43 Ų4352.7 Ų52.728%0.27928%0.275SS..PPolyproline II helixtrans-60.4138.4-177.9-2534.3000111.9W145 E171 A175 F178W145-P173 HydrophobicContact CH2-CG 4.12Å; W145-P173 HydrophobicContact CZ2-CG 4.08Å; E171-P173 WeakPolarHBondContact O-CD 3.39Å; P173-A175 HydrophobicContact CB-CB 4.07Å; P173-A175 PolarHBondContact O-N 2.87Å; P173-F178 HydrophobicContact CB-CZ 4.44Å; P173-F178 HydrophobicContact CG-CZ 4.43Å
174A93.2Very high84.5Confident8 Ų852.5 Ų52.57%0.06626%0.263CS..THydrogen-bonded Turntrans-77.736.5170.100000112V172V172-A174 PolarHBondContact O-N 3.08Å
175A90.3Very high86.9Confident7 Ų746.5 Ų46.56%0.05822%0.22CC..THydrogen-bonded Turntrans-94.9-10.1-175.400000113.1P173 P197 W198 I203 T206P173-A175 HydrophobicContact CB-CB 4.07Å; P173-A175 PolarHBondContact O-N 2.87Å; A175-P197 CarbonylContact O-C 3.49Å; A175-P197 VanDerWaalsContact O-CA 3.3Å; A175-P197 WeakPolarHBondContact O-CA 3.41Å; A175-W198 PolarHBondContact O-N 3.46Å; A175-I203 HydrophobicContact CB-CG2 3.77Å; A175-T206 HydrophobicContact CB-CG2 3.19Å
176G94.3Very high88.9Confident0 Ų042.7 Ų42.70%020%0.203CC..EExtended strand (participates in β ladder)trans163.7-156.6-179.300000111.7F196G176-F196 CarbonylContact C-O 3.59Å; G176-F196 WeakPolarHBondContact CA-O 3.25Å
177V97Very high90.8Very high0 Ų046.2 Ų46.20%020%0.203CC..EExtended strand (participates in β ladder)trans-114.3154170.4-54.20000110.7L109 L112 W119 F121 W132 F196 L226L109-V177 HydrophobicContact CD2-CG2 3.37Å; L112-V177 HydrophobicContact CD1-CG1 4.04Å; W119-V177 HydrophobicContact CH2-CG1 4.13Å; W119-V177 HydrophobicContact CZ3-CG1 4.43Å; F121-V177 HydrophobicContact CE1-CG1 3.95Å; F121-V177 HydrophobicContact CZ-CG1 4.28Å; W132-V177 HydrophobicContact CE3-CG2 4.41Å; W132-V177 HydrophobicContact CZ3-CG2 4.45Å; V177-F196 HydrophobicContact CG2-CB 3.74Å; V177-F196 HydrophobicContact CG2-CD2 4.15Å; V177-F196 HydrophobicContact CG2-CG 4.25Å; V177-F196 PolarHBondContact N-O 3Å; V177-F196 PolarHBondContact O-N 3.34Å; V177-L226 HydrophobicContact CB-CD1 4.45Å; V177-L226 HydrophobicContact CG1-CD1 3.99Å; V177-L226 HydrophobicContact CG1-CD2 4.21Å; V177-L226 HydrophobicContact CG2-CD1 4.13Å
178F97.5Very high92.1Very high3 Ų343.7 Ų43.71%0.01320%0.2CC..EExtended strand (participates in β ladder)trans-120.1145.2-173.8-56.8-93.7000109.6W132 F133 W145 V172 P173 E194 I195W132-F178 WeakPolarHBondContact CA-O 3.41Å; F133-F178 HydrophobicContact CD1-CB 4.29Å; F133-F178 HydrophobicContact CD2-CB 4.06Å; F133-F178 HydrophobicContact CD2-CD2 4.18Å; F133-F178 HydrophobicContact CD2-CG 4.45Å; F133-F178 HydrophobicContact CE1-CB 3.85Å; F133-F178 HydrophobicContact CE2-CB 3.58Å; F133-F178 AromaticContact CE2-CD2 3.86Å; F133-F178 HydrophobicContact CE2-CD2 3.86Å; F133-F178 AromaticContact CE2-CG 3.84Å; F133-F178 HydrophobicContact CE2-CG 3.84Å; F133-F178 HydrophobicContact CG-CB 4.4Å; F133-F178 HydrophobicContact CZ-CB 3.48Å; F133-F178 VanDerWaalsContact CZ-CB 3.48Å; F133-F178 HydrophobicContact CZ-CG 4.1Å; F133-F178 PolarHBondContact N-O 3.48Å; F133-F178 PolarHBondContact O-N 2.99Å; W145-F178 HydrophobicContact CH2-CE1 4.03Å; W145-F178 HydrophobicContact CH2-CZ 4.09Å; W145-F178 HydrophobicContact CZ3-CD1 4.2Å; W145-F178 HydrophobicContact CZ3-CD2 4.46Å; W145-F178 HydrophobicContact CZ3-CE1 4.1Å; W145-F178 HydrophobicContact CZ3-CE2 4.39Å; W145-F178 HydrophobicContact CZ3-CG 4.39Å; W145-F178 HydrophobicContact CZ3-CZ 4.21Å; V172-F178 HydrophobicContact CG1-CD2 3.96Å; V172-F178 HydrophobicContact CG1-CE2 3.65Å; P173-F178 HydrophobicContact CB-CZ 4.44Å; P173-F178 HydrophobicContact CG-CZ 4.43Å; F178-E194 CarbonylContact C-O 3.56Å; F178-E194 VanDerWaalsContact CA-O 3.28Å; F178-E194 WeakPolarHBondContact CA-O 3.22Å; F178-I195 HydrophobicContact CD1-CG1 3.85Å; F178-I195 HydrophobicContact CE1-CD1 4.07Å; F178-I195 HydrophobicContact CE1-CG1 3.83Å; F178-I195 HydrophobicContact CE1-CG2 4.33Å
179R97.5Very high92.4Very high69 Ų6935.2 Ų35.226%0.2617%0.171SC..EExtended strand (participates in β ladder)trans-126.3137.5173.2-177.6174.275.7172.41.6110.5C130 L131 W132 E194 F196C130-R179 HydrophobicContact CB-CG 3.94Å; L131-R179 CarbonylContact O-C 3.57Å; L131-R179 WeakPolarHBondContact O-CA 3.21Å; W132-R179 HydrophobicContact CD2-CB 4.23Å; W132-R179 HydrophobicContact CD2-CG 4.21Å; W132-R179 HydrophobicContact CE3-CB 4.02Å; W132-R179 HydrophobicContact CE3-CG 4.45Å; W132-R179 HydrophobicContact CH2-CB 4.49Å; W132-R179 HydrophobicContact CZ2-CG 4.32Å; W132-R179 HydrophobicContact CZ3-CB 4.15Å; R179-E194 HydrophobicContact CB-CB 4.3Å; R179-E194 IonicContact CZ-OE1 3.42Å; R179-E194 IonicContact CZ-OE2 2.77Å; R179-E194 PolarHBondContact N-O 2.55Å; R179-E194 IonicContact NE-OE2 3.68Å; R179-E194 PolarHBondContact NE-OE2 3.1Å; R179-E194 VanDerWaalsContact NH2-CD 3.26Å; R179-E194 IonicContact NH2-OE1 3.24Å; R179-E194 PolarHBondContact NH2-OE1 2.66Å; R179-E194 VanDerWaalsContact NH2-OE1 3.16Å; R179-E194 IonicContact NH2-OE2 3.05Å; R179-E194 PolarHBondContact NH2-OE2 3.08Å; R179-E194 PolarHBondContact O-N 3.38Å; R179-F196 HydrophobicContact CB-CE2 3.75Å
180V96.7Very high92.3Very high1 Ų136.9 Ų36.91%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-114.1127.9168.8175.40000109L8 C130 L131 F133 M152 L182 F185 V191 L193L8-V180 HydrophobicContact CD2-CG1 4.22Å; C130-V180 CarbonylContact C-O 3.54Å; C130-V180 VanDerWaalsContact CA-O 3.22Å; C130-V180 WeakPolarHBondContact CA-O 3.32Å; C130-V180 WeakPolarHBondContact CB-O 3.44Å; L131-V180 HydrophobicContact CB-CB 4.44Å; L131-V180 PolarHBondContact N-O 2.83Å; L131-V180 PolarHBondContact O-N 2.87Å; F133-V180 HydrophobicContact CE1-CG2 4.03Å; M152-V180 HydrophobicContact CE-CG2 4.18Å; M152-V180 HydrophobicContact SD-CG2 4.28Å; V180-L182 HydrophobicContact CG1-CD2 4.26Å; V180-F185 HydrophobicContact CG1-CB 4.45Å; V180-V191 HydrophobicContact CG1-CG1 4.38Å; V180-V191 HydrophobicContact CG2-CG1 3.83Å; V180-L193 HydrophobicContact CG2-CD2 3.59Å
181D94.8Very high92.3Very high79 Ų7934.6 Ų34.642%0.42218%0.175SC..EExtended strand (participates in β ladder)trans-77.2115.5166.9-175.3-40.1000109.2K183 E184 F185D181-K183 WeakPolarHBondContact OD1-CA 3.2Å; D181-K183 WeakPolarHBondContact OD1-CB 3.27Å; D181-K183 PolarHBondContact OD1-N 3.24Å; D181-E184 HydrophobicContact CB-CB 4.03Å; D181-E184 PolarHBondContact OD1-N 2.91Å; D181-F185 WeakPolarHBondContact O-CB 3.43Å; D181-F185 PolarHBondContact O-N 2.85Å
182L94.9Very high92.3Very high0 Ų035.6 Ų35.60%019%0.185CC..Hα-helixtrans-79-23.9-174.5-58.2171.1000112.5L8 Y45 H124 E129 L131 V180 A186L8-L182 HydrophobicContact CD1-CD2 3.7Å; L8-L182 HydrophobicContact CD2-CD2 3.66Å; L8-L182 HydrophobicContact CG-CD2 4.34Å; Y45-L182 HydrophobicContact CD1-CB 3.86Å; Y45-L182 WeakPolarHBondContact CD1-O 3.49Å; Y45-L182 HydrophobicContact CD2-CB 4.39Å; Y45-L182 HydrophobicContact CD2-CD1 4.47Å; Y45-L182 HydrophobicContact CE1-CB 3.53Å; Y45-L182 HydrophobicContact CE1-CD1 4.44Å; Y45-L182 HydrophobicContact CE2-CB 4.12Å; Y45-L182 HydrophobicContact CE2-CD1 3.73Å; Y45-L182 HydrophobicContact CE2-CG 4.38Å; Y45-L182 HydrophobicContact CG-CB 4.29Å; H124-L182 VanDerWaalsContact CD2-CD1 3.45Å; H124-L182 WeakPolarHBondContact CD2-CD1 3.32Å; E129-L182 WeakPolarHBondContact O-CB 3.21Å; E129-L182 WeakPolarHBondContact O-CG 3.44Å; E129-L182 PolarHBondContact O-N 3.27Å; L131-L182 HydrophobicContact CB-CD1 4.37Å; L131-L182 HydrophobicContact CB-CD2 4.02Å; L131-L182 HydrophobicContact CB-CG 4.4Å; V180-L182 HydrophobicContact CG1-CD2 4.26Å; L182-A186 VanDerWaalsContact O-CB 3.32Å; L182-A186 WeakPolarHBondContact O-CB 3.01Å; L182-A186 PolarHBondContact O-N 3.45Å
183K92.2Very high92.3Very high122 Ų12235.7 Ų35.753%0.5319%0.185SC..Hα-helixtrans-70.2-45.3173.6-66.6-179.7175.3177.70110.1E129 D181 F185 A186 R187E129-K183 HydrophobicContact CB-CG 4.14Å; E129-K183 WeakPolarHBondContact OE2-CE 3.45Å; E129-K183 IonicContact OE2-NZ 3.79Å; D181-K183 WeakPolarHBondContact OD1-CA 3.2Å; D181-K183 WeakPolarHBondContact OD1-CB 3.27Å; D181-K183 PolarHBondContact OD1-N 3.24Å; K183-F185 VanDerWaalsContact C-N 3.35Å; K183-A186 PolarHBondContact O-N 3.21Å; K183-R187 WeakPolarHBondContact O-CB 3.38Å; K183-R187 PolarHBondContact O-N 2.77Å
184E91.6Very high92.4Very high64 Ų6435.3 Ų35.330%0.29918%0.18SC..Hα-helixtrans-66.4-39.2177.6-179.253.2-15600111.7D181 R187 S188D181-E184 HydrophobicContact CB-CB 4.03Å; D181-E184 PolarHBondContact OD1-N 2.91Å; E184-R187 PolarHBondContact O-N 3.19Å; E184-R187 IonicContact OE1-CZ 3.94Å; E184-R187 IonicContact OE1-NE 2.6Å; E184-R187 IonicContact OE1-NH2 3.75Å; E184-R187 PolarHBondContact OE1-NH2 2.78Å; E184-R187 IonicContact OE2-CZ 2.85Å; E184-R187 VanDerWaalsContact OE2-CZ 3.26Å; E184-R187 IonicContact OE2-NE 3.68Å; E184-R187 PolarHBondContact OE2-NE 2.89Å; E184-R187 IonicContact OE2-NH2 3.7Å; E184-R187 PolarHBondContact OE2-NH2 3.11Å; E184-S188 WeakPolarHBondContact O-CB 3.44Å; E184-S188 PolarHBondContact O-N 3.01Å; E184-S188 PolarHBondContact O-OG 2.85Å
185F92Very high92.5Very high1 Ų135 Ų350%0.00418%0.177CC..Hα-helixtrans-60-45.9171.1173.5-98.4000112L8 R10 G150 V180 D181 K183 R187 G189 V191L8-F185 HydrophobicContact CD1-CD1 3.92Å; L8-F185 HydrophobicContact CD1-CE1 3.77Å; L8-F185 HydrophobicContact CD2-CD1 3.91Å; L8-F185 HydrophobicContact CD2-CD2 4.22Å; L8-F185 HydrophobicContact CD2-CE1 4Å; L8-F185 HydrophobicContact CD2-CE2 4.29Å; L8-F185 HydrophobicContact CD2-CG 4.01Å; L8-F185 HydrophobicContact CD2-CZ 4.17Å; L8-F185 HydrophobicContact CG-CD1 3.9Å; L8-F185 HydrophobicContact CG-CE1 3.55Å; L8-F185 HydrophobicContact CG-CE2 4.42Å; L8-F185 HydrophobicContact CG-CG 4.47Å; L8-F185 HydrophobicContact CG-CZ 3.82Å; R10-F185 HydrophobicContact CG-CE1 3.91Å; R10-F185 HydrophobicContact CG-CZ 4Å; G150-F185 WeakPolarHBondContact O-CZ 3.37Å; V180-F185 HydrophobicContact CG1-CB 4.45Å; D181-F185 WeakPolarHBondContact O-CB 3.43Å; D181-F185 PolarHBondContact O-N 2.85Å; K183-F185 VanDerWaalsContact C-N 3.35Å; F185-R187 VanDerWaalsContact C-N 3.28Å; F185-R187 PolarHBondContact O-N 2.85Å; F185-G189 WeakPolarHBondContact O-CA 3.43Å; F185-G189 PolarHBondContact O-N 2.75Å; F185-V191 HydrophobicContact CD2-CG2 3.86Å; F185-V191 HydrophobicContact CE2-CG2 3.84Å
186A90.9Very high92.8Very high19 Ų1934.7 Ų34.716%0.15718%0.175CC..Hα-helixtrans-61.1-36.7177.900000112.8R10 G44 Y45 L182 K183R10-A186 PolarHBondContact NH2-O 2.92Å; G44-A186 WeakPolarHBondContact O-CB 3.23Å; Y45-A186 HydrophobicContact CD1-CB 4.18Å; L182-A186 VanDerWaalsContact O-CB 3.32Å; L182-A186 WeakPolarHBondContact O-CB 3.01Å; L182-A186 PolarHBondContact O-N 3.45Å; K183-A186 PolarHBondContact O-N 3.21Å
187R89.2Confident92.8Very high175 Ų17535.7 Ų35.766%0.6618%0.181SC*.Hα-helixtrans-74.4-55.5179.8-170.6-17470.982.3-1.6112.3R10 K183 E184 F185R10-R187 PolarHBondContact NH2-O 2.78Å; K183-R187 WeakPolarHBondContact O-CB 3.38Å; K183-R187 PolarHBondContact O-N 2.77Å; E184-R187 PolarHBondContact O-N 3.19Å; E184-R187 IonicContact OE1-CZ 3.94Å; E184-R187 IonicContact OE1-NE 2.6Å; E184-R187 IonicContact OE1-NH2 3.75Å; E184-R187 PolarHBondContact OE1-NH2 2.78Å; E184-R187 IonicContact OE2-CZ 2.85Å; E184-R187 VanDerWaalsContact OE2-CZ 3.26Å; E184-R187 IonicContact OE2-NE 3.68Å; E184-R187 PolarHBondContact OE2-NE 2.89Å; E184-R187 IonicContact OE2-NH2 3.7Å; E184-R187 PolarHBondContact OE2-NH2 3.11Å; F185-R187 VanDerWaalsContact C-N 3.28Å; F185-R187 PolarHBondContact O-N 2.85Å
188S87.9Confident92.8Very high43 Ų4336.2 Ų36.230%0.30118%0.183SC..Hα-helixtrans-85.4-32.5-17267.70000113.3R10 E184 S190R10-S188 PolarHBondContact NH1-O 3.16Å; E184-S188 WeakPolarHBondContact O-CB 3.44Å; E184-S188 PolarHBondContact O-N 3.01Å; E184-S188 PolarHBondContact O-OG 2.85Å; S188-S190 PolarHBondContact O-N 2.95Å; S188-S190 PolarHBondContact OG-N 2.89Å; S188-S190 VanDerWaalsContact OG-N 3.1Å; S188-S190 PolarHBondContact OG-O 3.44Å
189G83.4Confident92.6Very high11 Ų1141.2 Ų41.211%0.11321%0.21CC..SBendtrans72.44.5-167.400000115.6F185F185-G189 WeakPolarHBondContact O-CA 3.43Å; F185-G189 PolarHBondContact O-N 2.75Å
190S86.9Confident92.3Very high54 Ų5439 Ų3938%0.37820%0.202SC..SBendtrans-99.6150.5172.7-62.80000109.5S188S188-S190 PolarHBondContact O-N 2.95Å; S188-S190 PolarHBondContact OG-N 2.89Å; S188-S190 VanDerWaalsContact OG-N 3.1Å; S188-S190 PolarHBondContact OG-O 3.44Å
191V89.9Confident91.5Very high5 Ų543.8 Ų43.83%0.0323%0.233CC..EExtended strand (participates in β ladder)trans-92.5123.1175.1-1780000108.7F147 M152 V180 F185 L193 Y214 C215 L216F147-V191 HydrophobicContact CD1-CB 4.37Å; F147-V191 HydrophobicContact CD1-CG1 4.49Å; F147-V191 HydrophobicContact CD1-CG2 4.19Å; F147-V191 HydrophobicContact CE1-CB 4.41Å; F147-V191 HydrophobicContact CE1-CG1 4.07Å; M152-V191 HydrophobicContact CB-CG2 4.13Å; M152-V191 HydrophobicContact SD-CG1 3.96Å; V180-V191 HydrophobicContact CG1-CG1 4.38Å; V180-V191 HydrophobicContact CG2-CG1 3.83Å; F185-V191 HydrophobicContact CD2-CG2 3.86Å; F185-V191 HydrophobicContact CE2-CG2 3.84Å; V191-L193 HydrophobicContact CG1-CD2 3.78Å; V191-L193 HydrophobicContact CG1-CG 4.11Å; V191-Y214 PolarHBondContact N-O 2.97Å; V191-C215 CarbonylContact O-C 3.51Å; V191-C215 VanDerWaalsContact O-CA 3.31Å; V191-C215 WeakPolarHBondContact O-CA 3.49Å; V191-L216 PolarHBondContact O-N 2.84Å
192S91.3Very high90.5Very high44 Ų4442.5 Ų42.531%0.30823%0.227SC..EExtended strand (participates in β ladder)trans-105.8114.2168-169.70000108.7
193L93.8Very high89.3Confident1 Ų144 Ų441%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-94.1110.6177.6-62.1179000109.2F133 W145 F147 V180 V191 L211 C215 L216 A217 V218F133-L193 HydrophobicContact CE1-CD2 4.16Å; F133-L193 HydrophobicContact CZ-CD2 3.72Å; W145-L193 HydrophobicContact CH2-CD1 4.26Å; W145-L193 HydrophobicContact CZ3-CD1 3.93Å; F147-L193 HydrophobicContact CE1-CD1 4.45Å; F147-L193 HydrophobicContact CZ-CD1 4.01Å; V180-L193 HydrophobicContact CG2-CD2 3.59Å; V191-L193 HydrophobicContact CG1-CD2 3.78Å; V191-L193 HydrophobicContact CG1-CG 4.11Å; L193-L211 HydrophobicContact CD1-CD1 4.19Å; L193-L211 HydrophobicContact CD1-CD2 4.48Å; L193-C215 VanDerWaalsContact CD1-SG 3.59Å; L193-L216 PolarHBondContact N-O 2.77Å; L193-A217 HydrophobicContact CB-CB 4.47Å; L193-A217 WeakPolarHBondContact O-CA 3.28Å; L193-V218 PolarHBondContact O-N 2.85Å
194E95.5Very high87.8Confident35 Ų3542.4 Ų42.416%0.16424%0.236CC..EExtended strand (participates in β ladder)trans-87.1129167.6-174.9178.7-176.900110.2F178 R179 F196 V218 N220F178-E194 CarbonylContact C-O 3.56Å; F178-E194 VanDerWaalsContact CA-O 3.28Å; F178-E194 WeakPolarHBondContact CA-O 3.22Å; R179-E194 HydrophobicContact CB-CB 4.3Å; R179-E194 IonicContact CZ-OE1 3.42Å; R179-E194 IonicContact CZ-OE2 2.77Å; R179-E194 PolarHBondContact N-O 2.55Å; R179-E194 IonicContact NE-OE2 3.68Å; R179-E194 PolarHBondContact NE-OE2 3.1Å; R179-E194 VanDerWaalsContact NH2-CD 3.26Å; R179-E194 IonicContact NH2-OE1 3.24Å; R179-E194 PolarHBondContact NH2-OE1 2.66Å; R179-E194 VanDerWaalsContact NH2-OE1 3.16Å; R179-E194 IonicContact NH2-OE2 3.05Å; R179-E194 PolarHBondContact NH2-OE2 3.08Å; R179-E194 PolarHBondContact O-N 3.38Å; E194-F196 HydrophobicContact CB-CE2 4.35Å; E194-F196 HydrophobicContact CG-CE2 3.85Å; E194-F196 HydrophobicContact CG-CZ 3.91Å; E194-F196 WeakPolarHBondContact OE1-CZ 3.07Å; E194-V218 CarbonylContact C-O 3.56Å; E194-V218 WeakPolarHBondContact CA-O 3.22Å; E194-N220 HydrophobicContact CG-CB 3.68Å; E194-N220 VanDerWaalsContact OE1-CB 3.3Å; E194-N220 WeakPolarHBondContact OE1-CB 3.37Å
195I94.9Very high86.1Confident2 Ų244.5 Ų44.51%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-106.3128.6-172.8-54.6178.7000110.8F178 A217 V218 M219 N220F178-I195 HydrophobicContact CD1-CG1 3.85Å; F178-I195 HydrophobicContact CE1-CD1 4.07Å; F178-I195 HydrophobicContact CE1-CG1 3.83Å; F178-I195 HydrophobicContact CE1-CG2 4.33Å; I195-A217 HydrophobicContact CD1-CB 3.88Å; I195-V218 PolarHBondContact N-O 3.44Å; I195-M219 HydrophobicContact CB-SD 3.98Å; I195-M219 HydrophobicContact CG2-CE 4.46Å; I195-M219 HydrophobicContact CG2-SD 4.11Å; I195-N220 WeakPolarHBondContact O-CB 2.99Å; I195-N220 PolarHBondContact O-N 3.1Å; I195-N220 PolarHBondContact O-ND2 2.9Å
196F96.6Very high84.2Confident1 Ų145.9 Ų45.90%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-114.297.3170.8-57.3-89.4000108A105 L109 W132 G176 V177 R179 E194 N220 L224 L226A105-F196 HydrophobicContact CB-CE1 4.24Å; A105-F196 HydrophobicContact CB-CZ 4.46Å; L109-F196 HydrophobicContact CD1-CB 4.14Å; L109-F196 HydrophobicContact CD1-CD1 3.61Å; L109-F196 HydrophobicContact CD1-CE1 4.36Å; L109-F196 HydrophobicContact CD1-CG 4.14Å; L109-F196 HydrophobicContact CD2-CB 3.7Å; L109-F196 HydrophobicContact CD2-CD1 4.25Å; L109-F196 HydrophobicContact CD2-CG 3.96Å; L109-F196 HydrophobicContact CG-CD1 4.43Å; W132-F196 HydrophobicContact CE3-CE2 4.36Å; W132-F196 HydrophobicContact CH2-CD2 4.48Å; W132-F196 HydrophobicContact CH2-CE1 4.48Å; W132-F196 AromaticContact CH2-CE2 3.83Å; W132-F196 HydrophobicContact CH2-CE2 3.83Å; W132-F196 AromaticContact CH2-CZ 3.81Å; W132-F196 HydrophobicContact CH2-CZ 3.81Å; W132-F196 AromaticContact CZ3-CD2 3.73Å; W132-F196 HydrophobicContact CZ3-CD2 3.73Å; W132-F196 AromaticContact CZ3-CE2 3.43Å; W132-F196 HydrophobicContact CZ3-CE2 3.43Å; W132-F196 VanDerWaalsContact CZ3-CE2 3.43Å; W132-F196 HydrophobicContact CZ3-CG 4.42Å; W132-F196 AromaticContact CZ3-CZ 3.88Å; W132-F196 HydrophobicContact CZ3-CZ 3.88Å; G176-F196 CarbonylContact C-O 3.59Å; G176-F196 WeakPolarHBondContact CA-O 3.25Å; V177-F196 HydrophobicContact CG2-CB 3.74Å; V177-F196 HydrophobicContact CG2-CD2 4.15Å; V177-F196 HydrophobicContact CG2-CG 4.25Å; V177-F196 PolarHBondContact N-O 3Å; V177-F196 PolarHBondContact O-N 3.34Å; R179-F196 HydrophobicContact CB-CE2 3.75Å; E194-F196 HydrophobicContact CB-CE2 4.35Å; E194-F196 HydrophobicContact CG-CE2 3.85Å; E194-F196 HydrophobicContact CG-CZ 3.91Å; E194-F196 WeakPolarHBondContact OE1-CZ 3.07Å; F196-N220 HydrophobicContact CD1-CB 3.74Å; F196-N220 HydrophobicContact CE1-CB 3.46Å; F196-N220 VanDerWaalsContact CE1-CB 3.46Å; F196-N220 HydrophobicContact CG-CB 4.42Å; F196-N220 HydrophobicContact CZ-CB 3.89Å; F196-L224 HydrophobicContact CD1-CB 4.04Å; F196-L224 HydrophobicContact CE1-CB 4.36Å; F196-L224 HydrophobicContact CE1-CD1 4.28Å; F196-L226 WeakPolarHBondContact O-CD1 3.28Å
197P95.5Very high82.2Confident21 Ų2148.7 Ų48.714%0.13629%0.285CS..EExtended strand (participates in β ladder)trans-77.8161.9-170.435.5-39.2000111.9A175 M219 V225 L226A175-P197 CarbonylContact O-C 3.49Å; A175-P197 VanDerWaalsContact O-CA 3.3Å; A175-P197 WeakPolarHBondContact O-CA 3.41Å; P197-M219 HydrophobicContact CB-CE 4.14Å; P197-M219 HydrophobicContact CG-CE 3.55Å; P197-V225 HydrophobicContact CG-CG1 3.95Å; P197-V225 CarbonylContact O-C 3.54Å; P197-V225 WeakPolarHBondContact O-CA 3.48Å; P197-L226 PolarHBondContact O-N 3.31Å
198W95.4Very high80.6Confident10 Ų1042.3 Ų42.34%0.03827%0.266CS..EExtended strand (participates in β ladder)trans-70.4137.2161.6-65.7109.8000110.6W119 F137 A175 H200 I203 L226 S227W119-W198 HydrophobicContact CH2-CH2 4.28Å; W119-W198 AromaticContact CH2-CZ2 3.84Å; W119-W198 HydrophobicContact CH2-CZ2 3.84Å; W119-W198 AromaticContact CZ2-CH2 3.8Å; W119-W198 HydrophobicContact CZ2-CH2 3.8Å; W119-W198 AromaticContact CZ2-CZ2 3.7Å; W119-W198 HydrophobicContact CZ2-CZ2 3.7Å; F137-W198 HydrophobicContact CB-CD2 4.39Å; F137-W198 HydrophobicContact CB-CZ2 4.22Å; F137-W198 HydrophobicContact CD2-CB 4.07Å; F137-W198 AromaticContact CD2-CD2 3.88Å; F137-W198 HydrophobicContact CD2-CD2 3.88Å; F137-W198 HydrophobicContact CD2-CE3 4.27Å; F137-W198 AromaticContact CD2-CG 3.76Å; F137-W198 HydrophobicContact CD2-CG 3.76Å; F137-W198 HydrophobicContact CE2-CB 4.23Å; F137-W198 HydrophobicContact CE2-CG 4.39Å; A175-W198 PolarHBondContact O-N 3.46Å; W198-H200 VanDerWaalsContact C-N 3.3Å; W198-H200 PolarHBondContact O-N 3.18Å; W198-I203 HydrophobicContact CB-CD1 4.36Å; W198-I203 HydrophobicContact CB-CG1 4.07Å; W198-L226 HydrophobicContact CD2-CB 3.81Å; W198-L226 HydrophobicContact CD2-CD1 4.06Å; W198-L226 HydrophobicContact CD2-CG 4.48Å; W198-L226 HydrophobicContact CE3-CB 3.23Å; W198-L226 HydrophobicContact CE3-CD1 4.3Å; W198-L226 HydrophobicContact CE3-CG 4.22Å; W198-L226 HydrophobicContact CG-CD1 4.48Å; W198-L226 HydrophobicContact CH2-CB 4.16Å; W198-L226 HydrophobicContact CH2-CD2 3.98Å; W198-L226 HydrophobicContact CH2-CG 4.49Å; W198-L226 HydrophobicContact CZ2-CD1 4.42Å; W198-L226 HydrophobicContact CZ2-CD2 4.4Å; W198-L226 HydrophobicContact CZ3-CB 3.44Å; W198-L226 VanDerWaalsContact CZ3-CB 3.44Å; W198-L226 HydrophobicContact CZ3-CD2 4.07Å; W198-L226 HydrophobicContact CZ3-CG 4.23Å; W198-S227 VanDerWaalsContact CZ3-O 3.31Å; W198-S227 WeakPolarHBondContact CZ3-O 3.22Å
199D94.6Very high78.6Confident109 Ų10949.1 Ų49.158%0.58329%0.293SS*.EExtended strand (participates in β ladder)trans-76.978.6173.7-174.123.5000110.5V225 L226 A228D199-V225 HydrophobicContact CB-CB 4.13Å; D199-V225 HydrophobicContact CB-CG2 3.82Å; D199-L226 WeakPolarHBondContact CB-O 3.23Å; D199-L226 PolarHBondContact N-O 2.89Å; D199-A228 VanDerWaalsContact O-CB 3.26Å; D199-A228 WeakPolarHBondContact O-CB 3.33Å
200H89.6Confident77.5Confident22 Ų2251.9 Ų51.910%0.10231%0.311CS..  trans-153.3134.8-178.5-166.9-84000111.5F137 W198 D202 I203 A228 V230 P232F137-H200 HydrophobicContact CE2-CB 3.9Å; F137-H200 AromaticContact CE2-CG 3.93Å; F137-H200 HydrophobicContact CZ-CB 4.3Å; F137-H200 AromaticContact CZ-CD2 3.79Å; F137-H200 AromaticContact CZ-CG 3.81Å; W198-H200 VanDerWaalsContact C-N 3.3Å; W198-H200 PolarHBondContact O-N 3.18Å; H200-D202 VanDerWaalsContact C-N 3.33Å; H200-D202 IonicContact CE1-OD2 2.84Å; H200-D202 PolarHBondContact CE1-OD2 2.98Å; H200-D202 VanDerWaalsContact CE1-OD2 3.24Å; H200-D202 PolarHBondContact ND1-N 2.88Å; H200-D202 IonicContact ND1-OD2 2.66Å; H200-D202 PolarHBondContact O-N 3.32Å; H200-I203 HydrophobicContact CB-CG1 3.8Å; H200-I203 WeakPolarHBondContact O-CB 3.44Å; H200-I203 PolarHBondContact O-N 2.85Å; H200-A228 HydrophobicContact CB-CB 3.85Å; H200-V230 PolarHBondContact CD2-O 3.07Å; H200-P232 WeakPolarHBondContact NE2-CA 3.32Å
201P81.4Confident76.6Confident101 Ų10151.3 Ų51.366%0.65630%0.304SS*.THydrogen-bonded Turntrans-65.8-31.9-172.526.1-35.8000113.8I203 P232P201-I203 PolarHBondContact O-N 3.02Å; P201-P232 HydrophobicContact CG-CB 3.82Å; P201-P232 HydrophobicContact CG-CG 4.34Å
202D73.1Confident75.5Confident53 Ų5352.8 Ų52.828%0.28331%0.314SS..THydrogen-bonded Turntrans-79.2-3.3-179.7-62.2-41.3000113.8H200 P204 S481H200-D202 VanDerWaalsContact C-N 3.33Å; H200-D202 IonicContact CE1-OD2 2.84Å; H200-D202 PolarHBondContact CE1-OD2 2.98Å; H200-D202 VanDerWaalsContact CE1-OD2 3.24Å; H200-D202 PolarHBondContact ND1-N 2.88Å; H200-D202 IonicContact ND1-OD2 2.66Å; H200-D202 PolarHBondContact O-N 3.32Å; D202-P204 WeakPolarHBondContact O-CD 3.28Å; D202-S481 PolarHBondContact OD1-OG 3.5Å
203I70.5Confident74.4Confident32 Ų3259.4 Ų59.416%0.16434%0.343CS..SBendtrans-78.5116.5175.6-63.3-74.8000107F137 A175 W198 H200 P201 S205F137-I203 HydrophobicContact CD2-CD1 4.48Å; F137-I203 HydrophobicContact CE2-CD1 3.97Å; F137-I203 HydrophobicContact CE2-CG1 4.24Å; A175-I203 HydrophobicContact CB-CG2 3.77Å; W198-I203 HydrophobicContact CB-CD1 4.36Å; W198-I203 HydrophobicContact CB-CG1 4.07Å; H200-I203 HydrophobicContact CB-CG1 3.8Å; H200-I203 WeakPolarHBondContact O-CB 3.44Å; H200-I203 PolarHBondContact O-N 2.85Å; P201-I203 PolarHBondContact O-N 3.02Å; I203-S205 PolarHBondContact O-N 2.78Å
204P60.3Low73.3Confident87 Ų8763.2 Ų63.257%0.56536%0.358SS*.  trans-55.4139.4-179.9-20.430.4000109.5D202 T206D202-P204 WeakPolarHBondContact O-CD 3.28Å; P204-T206 PolarHBondContact O-N 3.29Å
205S55Low72.6Confident109 Ų10962 Ų6276%0.76235%0.353SS*.  trans-51.5111.3164.8540000106.9I203 S207I203-S205 PolarHBondContact O-N 2.78Å; S205-S207 PolarHBondContact O-N 3.49Å
206T52.7Low72.1Confident29 Ų2966.9 Ų66.918%0.17838%0.379CS..  trans-68.174.7-173.241.70000110.4A175 P204 P208A175-T206 HydrophobicContact CB-CG2 3.19Å; P204-T206 PolarHBondContact O-N 3.29Å; T206-P208 VanDerWaalsContact C-CD 3.46Å; T206-P208 WeakPolarHBondContact O-CD 3.29Å
207S49.7Very low71.7Confident79 Ų7968.2 Ų68.255%0.55239%0.391SS*.  trans-89.696.7150.259.90000105.5S205 E209S205-S207 PolarHBondContact O-N 3.49Å; S207-E209 VanDerWaalsContact C-N 3.28Å; S207-E209 PolarHBondContact O-N 2.83Å
208P54Low71.5Confident40 Ų4070.3 Ų70.326%0.2640%0.403SS..  trans-62.199.6168.925.8-32.5000107T206 S210 L211 A217T206-P208 VanDerWaalsContact C-CD 3.46Å; T206-P208 WeakPolarHBondContact O-CD 3.29Å; P208-S210 PolarHBondContact O-N 3.09Å; P208-L211 HydrophobicContact CB-CD1 4.15Å; P208-L211 HydrophobicContact CB-CD2 4.33Å; P208-L211 HydrophobicContact CB-CG 3.8Å; P208-L211 HydrophobicContact CG-CD1 3.32Å; P208-L211 HydrophobicContact CG-CD2 4.37Å; P208-L211 HydrophobicContact CG-CG 3.52Å; P208-L211 PolarHBondContact O-N 2.99Å; P208-A217 HydrophobicContact CG-CB 3.9Å
209E47.5Very low71.3Confident186 Ų18674.6 Ų74.687%0.86942%0.424SS*.THydrogen-bonded Turntrans-63.715.9-173.3-72.2-174153.800114S207S207-E209 VanDerWaalsContact C-N 3.28Å; S207-E209 PolarHBondContact O-N 2.83Å
210S58.4Low71.3Confident70 Ų7069.7 Ų69.749%0.4940%0.398SS..THydrogen-bonded Turntrans-159.836.4-177.4690000114.2P208P208-S210 PolarHBondContact O-N 3.09Å
211L69.5Low71.4Confident41 Ų4174.7 Ų74.722%0.21543%0.432CS..  trans-73.7140.3168.3-72.9-179.4000111W145 F147 L193 P208 C215 A217W145-L211 HydrophobicContact CZ2-CD2 4.31Å; F147-L211 HydrophobicContact CE2-CD2 3.91Å; F147-L211 HydrophobicContact CZ-CD2 4.39Å; L193-L211 HydrophobicContact CD1-CD1 4.19Å; L193-L211 HydrophobicContact CD1-CD2 4.48Å; P208-L211 HydrophobicContact CB-CD1 4.15Å; P208-L211 HydrophobicContact CB-CD2 4.33Å; P208-L211 HydrophobicContact CB-CG 3.8Å; P208-L211 HydrophobicContact CG-CD1 3.32Å; P208-L211 HydrophobicContact CG-CD2 4.37Å; P208-L211 HydrophobicContact CG-CG 3.52Å; P208-L211 PolarHBondContact O-N 2.99Å; L211-C215 HydrophobicContact CB-CB 4.25Å; L211-C215 HydrophobicContact CD2-CB 4.49Å; L211-A217 HydrophobicContact CD1-CB 3.53Å
212P67.1Low72Confident37 Ų3773.4 Ų73.424%0.2443%0.43CS..  trans-62.1158.8172.7-23.335.4000112.6F147 Y214 C215F147-P212 HydrophobicContact CB-CG 4.22Å; P212-Y214 HydrophobicContact CB-CD1 4.12Å; P212-Y214 HydrophobicContact CB-CD2 4.07Å; P212-Y214 HydrophobicContact CB-CE1 3.64Å; P212-Y214 HydrophobicContact CB-CE2 3.58Å; P212-Y214 HydrophobicContact CB-CG 4.32Å; P212-Y214 HydrophobicContact CG-CE2 4.02Å; P212-Y214 PolarHBondContact O-N 3.36Å; P212-C215 PolarHBondContact O-N 2.71Å; P212-C215 VanDerWaalsContact O-O 3.13Å
213I68.3Low73Confident182 Ų18273.7 Ų73.793%0.93345%0.446SS*.THydrogen-bonded Turntrans-55.2-30.2-178.4-62.9170000112.9C215I213-C215 VanDerWaalsContact C-N 3.29Å; I213-C215 PolarHBondContact O-N 3.22Å
214Y70.3Confident74.3Confident81 Ų8174.6 Ų74.632%0.31845%0.451SS..THydrogen-bonded Turntrans-88.610.8178.947.4-96.3000113.7F147 V191 P212F147-Y214 HydrophobicContact CB-CD2 4.25Å; F147-Y214 HydrophobicContact CB-CE2 3.54Å; F147-Y214 PolarHBondContact O-OH 3.01Å; V191-Y214 PolarHBondContact N-O 2.97Å; P212-Y214 HydrophobicContact CB-CD1 4.12Å; P212-Y214 HydrophobicContact CB-CD2 4.07Å; P212-Y214 HydrophobicContact CB-CE1 3.64Å; P212-Y214 HydrophobicContact CB-CE2 3.58Å; P212-Y214 HydrophobicContact CB-CG 4.32Å; P212-Y214 HydrophobicContact CG-CE2 4.02Å; P212-Y214 PolarHBondContact O-N 3.36Å
215C80.3Confident76Confident9 Ų973.4 Ų73.46%0.06144%0.442CS..EExtended strand (participates in β ladder)trans-126.8114174.3-1710000110.2F147 V191 L193 L211 P212 I213F147-C215 HydrophobicContact CD1-CB 4.31Å; F147-C215 HydrophobicContact CG-CB 4.42Å; V191-C215 CarbonylContact O-C 3.51Å; V191-C215 VanDerWaalsContact O-CA 3.31Å; V191-C215 WeakPolarHBondContact O-CA 3.49Å; L193-C215 VanDerWaalsContact CD1-SG 3.59Å; L211-C215 HydrophobicContact CB-CB 4.25Å; L211-C215 HydrophobicContact CD2-CB 4.49Å; P212-C215 PolarHBondContact O-N 2.71Å; P212-C215 VanDerWaalsContact O-O 3.13Å; I213-C215 VanDerWaalsContact C-N 3.29Å; I213-C215 PolarHBondContact O-N 3.22Å
216L85.1Confident78Confident105 Ų10568.2 Ų68.255%0.5541%0.405SS..EExtended strand (participates in β ladder)trans-99.4137.6173.4-173.375.1000109.2V191 L193 V218V191-L216 PolarHBondContact O-N 2.84Å; L193-L216 PolarHBondContact N-O 2.77Å; L216-V218 HydrophobicContact CD2-CG1 4.37Å; L216-V218 HydrophobicContact CD2-CG2 4.16Å; L216-V218 HydrophobicContact CG-CG2 4.45Å
217A88.1Confident80.1Confident30 Ų3070.5 Ų70.525%0.24842%0.423CS..EExtended strand (participates in β ladder)trans-112129.5168.200000109.8L193 I195 P208 L211L193-A217 HydrophobicContact CB-CB 4.47Å; L193-A217 WeakPolarHBondContact O-CA 3.28Å; I195-A217 HydrophobicContact CD1-CB 3.88Å; P208-A217 HydrophobicContact CG-CB 3.9Å; L211-A217 HydrophobicContact CD1-CB 3.53Å
218V90.7Very high82.3Confident65 Ų6568 Ų6839%0.39441%0.406SS..EExtended strand (participates in β ladder)trans-135.8137.5-179.1-105.70000109.8L193 E194 I195 L216L193-V218 PolarHBondContact O-N 2.85Å; E194-V218 CarbonylContact C-O 3.56Å; E194-V218 WeakPolarHBondContact CA-O 3.22Å; I195-V218 PolarHBondContact N-O 3.44Å; L216-V218 HydrophobicContact CD2-CG1 4.37Å; L216-V218 HydrophobicContact CD2-CG2 4.16Å; L216-V218 HydrophobicContact CG-CG2 4.45Å
219M91.5Very high84.3Confident99 Ų9966.7 Ų66.749%0.48840%0.398SS..EExtended strand (participates in β ladder)trans-64.9141.5171.2-63.8-55.4-65.200109.5I195 P197I195-M219 HydrophobicContact CB-SD 3.98Å; I195-M219 HydrophobicContact CG2-CE 4.46Å; I195-M219 HydrophobicContact CG2-SD 4.11Å; P197-M219 HydrophobicContact CB-CE 4.14Å; P197-M219 HydrophobicContact CG-CE 3.55Å
220N93.5Very high86.7Confident7 Ų758.3 Ų58.34%0.03736%0.36CS..  trans-58.5131.9176.376.992.7000110.3E194 I195 F196 A222 G223 L224E194-N220 HydrophobicContact CG-CB 3.68Å; E194-N220 VanDerWaalsContact OE1-CB 3.3Å; E194-N220 WeakPolarHBondContact OE1-CB 3.37Å; I195-N220 WeakPolarHBondContact O-CB 2.99Å; I195-N220 PolarHBondContact O-N 3.1Å; I195-N220 PolarHBondContact O-ND2 2.9Å; F196-N220 HydrophobicContact CD1-CB 3.74Å; F196-N220 HydrophobicContact CE1-CB 3.46Å; F196-N220 VanDerWaalsContact CE1-CB 3.46Å; F196-N220 HydrophobicContact CG-CB 4.42Å; F196-N220 HydrophobicContact CZ-CB 3.89Å; N220-A222 PolarHBondContact O-N 3.29Å; N220-G223 PolarHBondContact O-N 3.25Å; N220-G223 PolarHBondContact OD1-N 2.82Å; N220-L224 PolarHBondContact ND2-O 3.12Å; N220-L224 WeakPolarHBondContact OD1-CB 3.5Å; N220-L224 PolarHBondContact OD1-N 3.09Å
221P91.8Very high88.4Confident126 Ų12657.6 Ų57.682%0.81835%0.354SS*.THydrogen-bonded Turntrans-69.5-17.9-171.227.4-35.4000113.2G223P221-G223 VanDerWaalsContact C-N 3.31Å
222A94.6Very high89.6Confident74 Ų7458.8 Ų58.861%0.61236%0.363SS*.THydrogen-bonded Turntrans-83.2-4.9179.600000113.4N220 L224N220-A222 PolarHBondContact O-N 3.29Å; A222-L224 HydrophobicContact CB-CD1 4.14Å; A222-L224 HydrophobicContact CB-CG 3.84Å; A222-L224 PolarHBondContact O-N 3.38Å
223G94.5Very high90.9Very high59 Ų5957.9 Ų57.961%0.60836%0.357SS*.  trans64.923-177.800000113.8N220 P221N220-G223 PolarHBondContact O-N 3.25Å; N220-G223 PolarHBondContact OD1-N 2.82Å; P221-G223 VanDerWaalsContact C-N 3.31Å
224L97Very high92.2Very high52 Ų5251.4 Ų51.427%0.27232%0.324SS..  trans-70.9140.1177.9-62.7175.5000110.7A105 A106 L109 F196 N220 A222A105-L224 HydrophobicContact CB-CD1 3.88Å; A106-L224 HydrophobicContact CB-CD1 4.42Å; A106-L224 HydrophobicContact CB-CD2 4.24Å; L109-L224 HydrophobicContact CD1-CB 3.68Å; L109-L224 HydrophobicContact CD1-CD1 4.4Å; F196-L224 HydrophobicContact CD1-CB 4.04Å; F196-L224 HydrophobicContact CE1-CB 4.36Å; F196-L224 HydrophobicContact CE1-CD1 4.28Å; N220-L224 PolarHBondContact ND2-O 3.12Å; N220-L224 WeakPolarHBondContact OD1-CB 3.5Å; N220-L224 PolarHBondContact OD1-N 3.09Å; A222-L224 HydrophobicContact CB-CD1 4.14Å; A222-L224 HydrophobicContact CB-CG 3.84Å; A222-L224 PolarHBondContact O-N 3.38Å
225V96.9Very high93.3Very high61 Ų6153 Ų5337%0.3733%0.334SS..  trans-134.9156.6-177-59.20000110.3P197 D199P197-V225 HydrophobicContact CG-CG1 3.95Å; P197-V225 CarbonylContact O-C 3.54Å; P197-V225 WeakPolarHBondContact O-CA 3.48Å; D199-V225 HydrophobicContact CB-CB 4.13Å; D199-V225 HydrophobicContact CB-CG2 3.82Å
226L97.3Very high94Very high0 Ų055.1 Ų55.10%035%0.349CS..EExtended strand (participates in β ladder)trans-86.5138165.6-62.6124.3000109.4L109 L112 S113 V177 F196 P197 W198 D199 A228L109-L226 HydrophobicContact CB-CD2 4.49Å; L109-L226 HydrophobicContact CD2-CD1 4.47Å; L109-L226 HydrophobicContact CD2-CD2 4.1Å; L109-L226 HydrophobicContact CD2-CG 4Å; L112-L226 HydrophobicContact CB-CD2 3.82Å; S113-L226 WeakPolarHBondContact OG-CA 3.3Å; S113-L226 WeakPolarHBondContact OG-CB 3.41Å; V177-L226 HydrophobicContact CB-CD1 4.45Å; V177-L226 HydrophobicContact CG1-CD1 3.99Å; V177-L226 HydrophobicContact CG1-CD2 4.21Å; V177-L226 HydrophobicContact CG2-CD1 4.13Å; F196-L226 WeakPolarHBondContact O-CD1 3.28Å; P197-L226 PolarHBondContact O-N 3.31Å; W198-L226 HydrophobicContact CD2-CB 3.81Å; W198-L226 HydrophobicContact CD2-CD1 4.06Å; W198-L226 HydrophobicContact CD2-CG 4.48Å; W198-L226 HydrophobicContact CE3-CB 3.23Å; W198-L226 HydrophobicContact CE3-CD1 4.3Å; W198-L226 HydrophobicContact CE3-CG 4.22Å; W198-L226 HydrophobicContact CG-CD1 4.48Å; W198-L226 HydrophobicContact CH2-CB 4.16Å; W198-L226 HydrophobicContact CH2-CD2 3.98Å; W198-L226 HydrophobicContact CH2-CG 4.49Å; W198-L226 HydrophobicContact CZ2-CD1 4.42Å; W198-L226 HydrophobicContact CZ2-CD2 4.4Å; W198-L226 HydrophobicContact CZ3-CB 3.44Å; W198-L226 VanDerWaalsContact CZ3-CB 3.44Å; W198-L226 HydrophobicContact CZ3-CD2 4.07Å; W198-L226 HydrophobicContact CZ3-CG 4.23Å; D199-L226 WeakPolarHBondContact CB-O 3.23Å; D199-L226 PolarHBondContact N-O 2.89Å; L226-A228 PolarHBondContact O-N 2.73Å
227S96.8Very high94.2Very high77 Ų7753.3 Ų53.354%0.53834%0.339SS..EExtended strand (participates in β ladder)trans-69.5123.2173.6-54.90000110.1S113 W198S113-S227 PolarHBondContact OG-N 2.89Å; W198-S227 VanDerWaalsContact CZ3-O 3.31Å; W198-S227 WeakPolarHBondContact CZ3-O 3.22Å
228A95.9Very high94.1Very high26 Ų2654.2 Ų54.222%0.21534%0.343CS..PPolyproline II helixtrans-64.7135.4177.400000111F137 D199 H200 L226 V230F137-A228 HydrophobicContact CD2-CB 4.35Å; F137-A228 HydrophobicContact CE2-CB 3.96Å; D199-A228 VanDerWaalsContact O-CB 3.26Å; D199-A228 WeakPolarHBondContact O-CB 3.33Å; H200-A228 HydrophobicContact CB-CB 3.85Å; L226-A228 PolarHBondContact O-N 2.73Å; A228-V230 PolarHBondContact O-N 2.84Å
229P96.3Very high93.3Very high13 Ų1356.8 Ų56.88%0.08437%0.371CS..SBendtrans-74.8-13.9-176.928.7-33.8000113.1R116 F137 E513R116-P229 VanDerWaalsContact NH1-CB 3.29Å; R116-P229 PolarHBondContact NH1-O 3.45Å; F137-P229 HydrophobicContact CB-CG 3.57Å; F137-P229 HydrophobicContact CD1-CG 4.11Å; F137-P229 HydrophobicContact CD2-CG 4.37Å; F137-P229 HydrophobicContact CG-CG 3.77Å; P229-E513 HydrophobicContact CB-CB 4.46Å; P229-E513 HydrophobicContact CB-CG 3.79Å; P229-E513 HydrophobicContact CG-CG 4.24Å
230V96.3Very high92.1Very high10 Ų1056.6 Ų56.66%0.06138%0.379CS..SBendtrans-133.7149.6-174.2-59.90000110.8F137 F138 H200 A228 E513 V516F137-V230 HydrophobicContact CD1-CG2 3.94Å; F137-V230 HydrophobicContact CE1-CG2 3.35Å; F137-V230 HydrophobicContact CZ-CG2 3.86Å; F138-V230 HydrophobicContact CE1-CG2 4.41Å; F138-V230 HydrophobicContact CE2-CG1 4.45Å; F138-V230 HydrophobicContact CZ-CG1 3.9Å; F138-V230 HydrophobicContact CZ-CG2 4.07Å; H200-V230 PolarHBondContact CD2-O 3.07Å; A228-V230 PolarHBondContact O-N 2.84Å; V230-E513 HydrophobicContact CG1-CB 4.09Å; V230-E513 HydrophobicContact CG1-CG 4.43Å; V230-V516 HydrophobicContact CB-CG1 4.15Å; V230-V516 HydrophobicContact CG1-CB 4.07Å; V230-V516 HydrophobicContact CG1-CG1 4.02Å; V230-V516 HydrophobicContact CG2-CG1 4.19Å
231P95.6Very high90.4Very high56 Ų5661 Ų6136%0.36441%0.41SS..PPolyproline II helixtrans-74159.2173.432.7-36000111.6S517P231-S517 WeakPolarHBondContact CD-OG 3.36Å
232P94.3Very high88.7Confident65 Ų6558.4 Ų58.442%0.42239%0.394SS..PPolyproline II helixtrans-62.9162.217228.3-35.5000111.9H200 P201H200-P232 WeakPolarHBondContact NE2-CA 3.32Å; P201-P232 HydrophobicContact CG-CB 3.82Å; P201-P232 HydrophobicContact CG-CG 4.34Å
233L93.8Very high86.8Confident18 Ų1861.5 Ų61.59%0.09440%0.4CS..PPolyproline II helixtrans-61.9135.6178.6-172.466.2000110.9E235 L477 L480 K527L233-E235 WeakPolarHBondContact O-CG 3.16Å; L233-E235 PolarHBondContact O-N 3.15Å; L233-E235 VanDerWaalsContact O-N 3.14Å; L233-L477 HydrophobicContact CD2-CD2 3.78Å; L233-L477 HydrophobicContact CG-CD2 4.23Å; L233-L480 HydrophobicContact CD2-CB 4.48Å; L233-K527 VanDerWaalsContact CD1-NZ 3.31Å
234N95.6Very high85Confident46 Ų4663.8 Ų63.825%0.24640%0.404CS..  trans-66.5113.3173.3-177.8-24.4000110.8S236 S520 S521N234-S236 VanDerWaalsContact OD1-CB 3.24Å; N234-S236 WeakPolarHBondContact OD1-CB 3.42Å; N234-S236 PolarHBondContact OD1-N 2.96Å; N234-S236 PolarHBondContact OD1-OG 2.95Å; N234-S520 WeakPolarHBondContact CB-O 3.21Å; N234-S520 PolarHBondContact N-O 3.03Å; N234-S521 PolarHBondContact ND2-O 2.94Å
235E93.9Very high83.1Confident116 Ų11666.6 Ų66.654%0.54242%0.419SS..  trans-968.8-178.7-56.8-167.9179.700115L233 R474L233-E235 WeakPolarHBondContact O-CG 3.16Å; L233-E235 PolarHBondContact O-N 3.15Å; L233-E235 VanDerWaalsContact O-N 3.14Å; E235-R474 IonicContact OE2-NH1 2.83Å
236S93.7Very high81Confident52 Ų5270.1 Ų70.136%0.36444%0.441SS..  trans-56.7152.8173.761.50000110.1N234 W525N234-S236 VanDerWaalsContact OD1-CB 3.24Å; N234-S236 WeakPolarHBondContact OD1-CB 3.42Å; N234-S236 PolarHBondContact OD1-N 2.96Å; N234-S236 PolarHBondContact OD1-OG 2.95Å; S236-W525 WeakPolarHBondContact O-CZ3 3.43Å; S236-W525 WeakPolarHBondContact OG-CH2 3.36Å
237L89.2Confident78.9Confident67 Ų6777.1 Ų77.135%0.35147%0.474SS..  trans-133.4147177.3-72.5-179000109.4L473 R474 L477 W525L237-L473 HydrophobicContact CD2-CB 3.7Å; L237-R474 HydrophobicContact CD1-CB 4.17Å; L237-R474 VanDerWaalsContact CD1-NH2 3.3Å; L237-L477 HydrophobicContact CD2-CD1 3.73Å; L237-L477 HydrophobicContact CG-CD1 4.43Å; L237-W525 VanDerWaalsContact CA-CZ3 3.48Å
238P86.1Confident77.1Confident50 Ų5077 Ų7733%0.32547%0.473SS..  trans-70.5151.8175.332.2-33.1000110.1S240 L473 W525P238-S240 PolarHBondContact O-N 3.42Å; P238-L473 HydrophobicContact CG-CD1 3.69Å; P238-W525 VanDerWaalsContact CD-CZ3 3.47Å; P238-W525 HydrophobicContact CG-CE3 4.37Å
239A74.6Confident75.4Confident119 Ų11988.1 Ų88.198%0.98351%0.509SS*.SBendtrans-66.5-20.6178.600000113.6
240S67.1Low74.4Confident94 Ų9490.2 Ų90.266%0.65752%0.519SS*.SBendtrans-134.8136.8177.7570000110.7P238P238-S240 PolarHBondContact O-N 3.42Å
241S57.5Low73.6Confident99 Ų9992.5 Ų92.569%0.69254%0.536SS*.PPolyproline II helixtrans-82.2133.6174.551.40000111
242P56.8Low72.7Confident72 Ų7291.8 Ų91.847%0.46854%0.539SS..PPolyproline II helixtrans-67.7140.1168.626.2-29.9000110.5
243D53.7Low72Confident140 Ų14098.1 Ų98.175%0.74955%0.554SS**PPolyproline II helixtrans-66.7143.1174.8-75.5-37.3000110.8L245D243-L245 PolarHBondContact O-N 3.09Å
244P56.9Low71.4Confident106 Ų106101.3 Ų101.369%0.68857%0.568SS**PPolyproline II helixtrans-64.8125.8176.6-11.624.7000110.6
245L57.4Low70.7Confident111 Ų11199.9 Ų99.958%0.58156%0.561SS**PPolyproline II helixtrans-73.6136.7169.4-72.1165.6000110.2D243 L532D243-L245 PolarHBondContact O-N 3.09Å; L245-L532 HydrophobicContact CD1-CD2 3.96Å
246T51.3Low70.2Confident136 Ų13698.1 Ų98.183%0.83455%0.552SS**PPolyproline II helixtrans-66.9131179.5-14.10000110.9S248T246-S248 PolarHBondContact O-N 3.45Å
247E54.1Low69.7Low147 Ų147102.4 Ų102.469%0.68757%0.567SS**  trans-64.7104.3179.3-74-171.9163.900111.3
248S58.3Low69.3Low74 Ų74101.7 Ų101.752%0.51756%0.563SS.*  trans-103.2147.8161.862.60000109.9T246 L250T246-S248 PolarHBondContact O-N 3.45Å; S248-L250 PolarHBondContact O-N 3.28Å
249R61.2Low69.2Low260 Ų26099.4 Ų99.498%0.98155%0.548SS*.  trans-76.695.2176.6-72.7-174.9179.5-176.82109.2
250L75.4Confident69.5Low57 Ų5796.6 Ų96.630%0.29853%0.525SS..  trans-81.6145.8174.8-58.8-179.4000111.6S248 E254 L255 L258 P533S248-L250 PolarHBondContact O-N 3.28Å; L250-E254 HydrophobicContact CB-CB 4.09Å; L250-E254 HydrophobicContact CD2-CB 4.34Å; L250-L255 HydrophobicContact CB-CD2 3.94Å; L250-L255 HydrophobicContact CB-CG 4.08Å; L250-L255 HydrophobicContact CD1-CD2 3.94Å; L250-L258 HydrophobicContact CD1-CD2 4.15Å; L250-P533 HydrophobicContact CD1-CG 3.94Å
251S78.6Confident70.1Confident58 Ų5895.6 Ų95.641%0.40653%0.529SS..  trans-73.7166.4168.971.30000111.7R253 E254 L255S251-R253 VanDerWaalsContact C-N 3.31Å; S251-R253 PolarHBondContact O-N 2.68Å; S251-E254 WeakPolarHBondContact CA-OE2 3.5Å; S251-E254 WeakPolarHBondContact CB-OE2 3.26Å; S251-E254 PolarHBondContact N-OE2 2.8Å; S251-E254 PolarHBondContact O-N 2.79Å; S251-E254 VanDerWaalsContact OG-CD 3.32Å; S251-E254 WeakPolarHBondContact OG-CG 3.45Å; S251-E254 PolarHBondContact OG-N 2.82Å; S251-E254 PolarHBondContact OG-OE2 2.91Å; S251-L255 WeakPolarHBondContact O-CG 3.45Å; S251-L255 PolarHBondContact O-N 3.2Å; S251-L255 VanDerWaalsContact O-N 3.08Å
252G77.1Confident71.1Confident41 Ų4192.3 Ų92.342%0.42351%0.506SS..Hα-helixtrans-59.4-37.8179.400000113.8L255 E256G252-L255 PolarHBondContact O-N 2.91Å; G252-E256 WeakPolarHBondContact O-CG 3.31Å; G252-E256 PolarHBondContact O-N 2.84Å
253R79.6Confident72Confident197 Ų19791.4 Ų91.474%0.74350%0.5SS*.Hα-helixtrans-68.3-42.2178.2-71.5-173178.5-169-0.7112.2S251 L255 E256 E257S251-R253 VanDerWaalsContact C-N 3.31Å; S251-R253 PolarHBondContact O-N 2.68Å; R253-L255 VanDerWaalsContact C-N 3.27Å; R253-L255 PolarHBondContact O-N 3.32Å; R253-E256 WeakPolarHBondContact O-CB 3.3Å; R253-E256 PolarHBondContact O-N 3.31Å; R253-E256 VanDerWaalsContact O-N 3.12Å; R253-E257 PolarHBondContact O-N 3.35Å
254E81.8Confident73.3Confident86 Ų8688.5 Ų88.540%0.40248%0.478SS..Hα-helixtrans-63.9-34.3176.3-69.3163134.400111.5L250 S251 L258L250-E254 HydrophobicContact CB-CB 4.09Å; L250-E254 HydrophobicContact CD2-CB 4.34Å; S251-E254 WeakPolarHBondContact CA-OE2 3.5Å; S251-E254 WeakPolarHBondContact CB-OE2 3.26Å; S251-E254 PolarHBondContact N-OE2 2.8Å; S251-E254 PolarHBondContact O-N 2.79Å; S251-E254 VanDerWaalsContact OG-CD 3.32Å; S251-E254 WeakPolarHBondContact OG-CG 3.45Å; S251-E254 PolarHBondContact OG-N 2.82Å; S251-E254 PolarHBondContact OG-OE2 2.91Å; E254-L258 VanDerWaalsContact O-CB 3.3Å; E254-L258 WeakPolarHBondContact O-CB 3.33Å; E254-L258 PolarHBondContact O-N 2.87Å
255L81.5Confident74.7Confident16 Ų1686.3 Ų86.38%0.08446%0.464CS..Hα-helixtrans-68.4-37.1172.8-66.3173000112.3L250 S251 G252 R253 L259 P533 V536 V556L250-L255 HydrophobicContact CB-CD2 3.94Å; L250-L255 HydrophobicContact CB-CG 4.08Å; L250-L255 HydrophobicContact CD1-CD2 3.94Å; S251-L255 WeakPolarHBondContact O-CG 3.45Å; S251-L255 PolarHBondContact O-N 3.2Å; S251-L255 VanDerWaalsContact O-N 3.08Å; G252-L255 PolarHBondContact O-N 2.91Å; R253-L255 VanDerWaalsContact C-N 3.27Å; R253-L255 PolarHBondContact O-N 3.32Å; L255-L259 VanDerWaalsContact O-CB 3.28Å; L255-L259 WeakPolarHBondContact O-CB 3.37Å; L255-L259 PolarHBondContact O-N 2.96Å; L255-P533 HydrophobicContact CD2-CB 4.15Å; L255-V536 HydrophobicContact CB-CG2 3.84Å; L255-V536 HydrophobicContact CD2-CG2 3.67Å; L255-V536 HydrophobicContact CG-CG2 4.3Å; L255-V536 WeakPolarHBondContact O-CG2 3.43Å; L255-V556 HydrophobicContact CB-CB 4.13Å; L255-V556 HydrophobicContact CB-CG1 4.14Å
256E81.9Confident76.4Confident78 Ų7886 Ų8636%0.36446%0.463SS..Hα-helixtrans-64.7-43.7175.1-73.5171.2-173.800111.1G252 R253 L259 A260 V556G252-E256 WeakPolarHBondContact O-CG 3.31Å; G252-E256 PolarHBondContact O-N 2.84Å; R253-E256 WeakPolarHBondContact O-CB 3.3Å; R253-E256 PolarHBondContact O-N 3.31Å; R253-E256 VanDerWaalsContact O-N 3.12Å; E256-L259 PolarHBondContact O-N 3Å; E256-A260 WeakPolarHBondContact O-CB 3.28Å; E256-A260 PolarHBondContact O-N 2.67Å; E256-V556 HydrophobicContact CB-CG1 4.42Å; E256-V556 HydrophobicContact CG-CB 4.47Å; E256-V556 HydrophobicContact CG-CG1 3.73Å; E256-V556 HydrophobicContact CG-CG2 3.94Å
257E82.8Confident78.6Confident142 Ų14282.2 Ų82.266%0.66444%0.435SS*.Hα-helixtrans-64-43.4175.2-71.1172.6-172.200112R253 A260 G261R253-E257 PolarHBondContact O-N 3.35Å; E257-A260 WeakPolarHBondContact O-CB 3.48Å; E257-A260 PolarHBondContact O-N 3.23Å; E257-G261 PolarHBondContact O-N 3.4Å
258L81.8Confident80.6Confident53 Ų5375.2 Ų75.228%0.27740%0.403SS..Hα-helixtrans-64.2-41.1176.6-175.865.3000112L250 E254 G261 S262 L532 P533 V536L250-L258 HydrophobicContact CD1-CD2 4.15Å; E254-L258 VanDerWaalsContact O-CB 3.3Å; E254-L258 WeakPolarHBondContact O-CB 3.33Å; E254-L258 PolarHBondContact O-N 2.87Å; L258-G261 PolarHBondContact O-N 2.72Å; L258-S262 WeakPolarHBondContact O-CB 3.49Å; L258-S262 PolarHBondContact O-N 2.92Å; L258-S262 VanDerWaalsContact O-N 3.12Å; L258-S262 PolarHBondContact O-OG 3.21Å; L258-L532 HydrophobicContact CD1-CD2 4.34Å; L258-L532 HydrophobicContact CD2-CD2 4.26Å; L258-L532 HydrophobicContact CG-CD2 4.47Å; L258-P533 HydrophobicContact CD2-CG 4.26Å; L258-V536 HydrophobicContact CD2-CG1 4.41Å; L258-V536 HydrophobicContact CG-CG1 4.38Å
259L83.4Confident82.5Confident2 Ų277 Ų771%0.0140%0.401CS..Hα-helixtrans-61.8-45.8174.2177.261.9000110.3L255 E256 G261 S262 T263 V536 L540 R543 A555 V556L255-L259 VanDerWaalsContact O-CB 3.28Å; L255-L259 WeakPolarHBondContact O-CB 3.37Å; L255-L259 PolarHBondContact O-N 2.96Å; E256-L259 PolarHBondContact O-N 3Å; L259-G261 VanDerWaalsContact C-N 3.32Å; L259-G261 PolarHBondContact O-N 3.32Å; L259-S262 CarbonylContact O-C 3.47Å; L259-S262 WeakPolarHBondContact O-CA 3.32Å; L259-S262 PolarHBondContact O-N 2.82Å; L259-T263 WeakPolarHBondContact O-CG2 3.29Å; L259-T263 PolarHBondContact O-N 2.88Å; L259-V536 HydrophobicContact CB-CG1 4.25Å; L259-V536 HydrophobicContact CB-CG2 4.44Å; L259-V536 HydrophobicContact CD1-CG1 4.32Å; L259-L540 HydrophobicContact CD1-CD1 3.74Å; L259-R543 HydrophobicContact CD1-CB 3.71Å; L259-R543 HydrophobicContact CD2-CB 3.9Å; L259-R543 HydrophobicContact CG-CB 4.49Å; L259-A555 HydrophobicContact CD2-CB 4.14Å; L259-V556 HydrophobicContact CD2-CG1 4.01Å
260A82.4Confident84.3Confident59 Ų5970 Ų7049%0.48838%0.375SS..Hα-helixtrans-54.8-46.5177.500000111.8E256 E257 S262 T263E256-A260 WeakPolarHBondContact O-CB 3.28Å; E256-A260 PolarHBondContact O-N 2.67Å; E257-A260 WeakPolarHBondContact O-CB 3.48Å; E257-A260 PolarHBondContact O-N 3.23Å; A260-S262 PolarHBondContact O-N 3.41Å; A260-T263 PolarHBondContact O-N 2.83Å; A260-T263 PolarHBondContact O-OG1 2.92Å
261G79.7Confident85.4Confident73 Ų7367.3 Ų67.375%0.75336%0.361SS*.Hα-helixtrans-68.2-19.3176.400000114.9E257 L258 L259E257-G261 PolarHBondContact O-N 3.4Å; L258-G261 PolarHBondContact O-N 2.72Å; L259-G261 VanDerWaalsContact C-N 3.32Å; L259-G261 PolarHBondContact O-N 3.32Å
262S77.3Confident86.3Confident30 Ų3065.5 Ų65.521%0.2135%0.346CS..THydrogen-bonded Turntrans-105.26.5-179.6-52.20000113L258 L259 A260L258-S262 WeakPolarHBondContact O-CB 3.49Å; L258-S262 PolarHBondContact O-N 2.92Å; L258-S262 VanDerWaalsContact O-N 3.12Å; L258-S262 PolarHBondContact O-OG 3.21Å; L259-S262 CarbonylContact O-C 3.47Å; L259-S262 WeakPolarHBondContact O-CA 3.32Å; L259-S262 PolarHBondContact O-N 2.82Å; A260-S262 PolarHBondContact O-N 3.41Å
263T76.1Confident87.3Confident54 Ų5471.4 Ų71.433%0.33136%0.356SS..  trans-68.7147.5-177.353.40000112.1L259 A260 S544L259-T263 WeakPolarHBondContact O-CG2 3.29Å; L259-T263 PolarHBondContact O-N 2.88Å; A260-T263 PolarHBondContact O-N 2.83Å; A260-T263 PolarHBondContact O-OG1 2.92Å; T263-S544 WeakPolarHBondContact CB-OG 3.3Å
264R81.1Confident88.3Confident79 Ų7963 Ų6330%0.29833%0.326SS..  trans-12383.4175.7-59.6-160.3-168.8-127.612108.2D266 E267 A268 W525 S544R264-D266 PolarHBondContact O-N 3.18Å; R264-E267 HydrophobicContact CB-CB 4.35Å; R264-E267 WeakPolarHBondContact CB-OE2 3.19Å; R264-E267 PolarHBondContact O-N 3.09Å; R264-A268 VanDerWaalsContact O-CB 3.29Å; R264-A268 WeakPolarHBondContact O-CB 3.28Å; R264-A268 PolarHBondContact O-N 2.84Å; R264-W525 PolarHBondContact NH2-O 2.89Å; R264-S544 PolarHBondContact N-OG 2.95Å
265P85.9Confident89.1Confident60 Ų6059 Ų5939%0.3931%0.308SS..Hα-helixtrans-65.8-38.2-158.722.1-32.6000112.6A268 K269 Q548P265-A268 PolarHBondContact O-N 3.28Å; P265-K269 VanDerWaalsContact O-CG 3.23Å; P265-K269 WeakPolarHBondContact O-CG 3.34Å; P265-K269 PolarHBondContact O-N 3.02Å; P265-Q548 VanDerWaalsContact CA-NE2 3.32Å; P265-Q548 PolarHBondContact O-NE2 2.86Å
266D93.8Very high89.9Confident104 Ų10459 Ų5956%0.55631%0.309SS*.Hα-helixtrans-76.3-38.6-176.4-64.6-28.9000112R264 A268 K269 R270R264-D266 PolarHBondContact O-N 3.18Å; D266-A268 VanDerWaalsContact C-N 3.32Å; D266-A268 PolarHBondContact O-N 3Å; D266-K269 PolarHBondContact O-N 3.49Å; D266-K269 IonicContact OD1-NZ 3.74Å; D266-K269 PolarHBondContact OD1-NZ 2.85Å; D266-R270 PolarHBondContact O-N 3.16Å
267E96.4Very high90.7Very high56 Ų5658 Ų5826%0.26230%0.304SS..Hα-helixtrans-63.7-40.4172.3-66.986163.600111.4R264 R270 L271 Y518 L522 L526 L541R264-E267 HydrophobicContact CB-CB 4.35Å; R264-E267 WeakPolarHBondContact CB-OE2 3.19Å; R264-E267 PolarHBondContact O-N 3.09Å; E267-R270 PolarHBondContact O-N 3.14Å; E267-L271 PolarHBondContact O-N 2.68Å; E267-Y518 VanDerWaalsContact C-OH 3.24Å; E267-Y518 WeakPolarHBondContact CA-OH 3.24Å; E267-Y518 WeakPolarHBondContact CB-OH 3.09Å; E267-Y518 PolarHBondContact O-OH 3.26Å; E267-L522 HydrophobicContact CG-CD2 4.33Å; E267-L526 HydrophobicContact CG-CD2 4.47Å; E267-L541 HydrophobicContact CB-CD1 3.64Å
268A96.9Very high91.4Very high0 Ų051.2 Ų51.20%027%0.273CS..Hα-helixtrans-67.6-40.9176.400000111.9R264 P265 D266 R270 L271 I272 L541 S544 A545 Q548R264-A268 VanDerWaalsContact O-CB 3.29Å; R264-A268 WeakPolarHBondContact O-CB 3.28Å; R264-A268 PolarHBondContact O-N 2.84Å; P265-A268 PolarHBondContact O-N 3.28Å; D266-A268 VanDerWaalsContact C-N 3.32Å; D266-A268 PolarHBondContact O-N 3Å; A268-R270 VanDerWaalsContact C-N 3.31Å; A268-R270 PolarHBondContact O-N 3.12Å; A268-L271 WeakPolarHBondContact O-CB 3.16Å; A268-L271 PolarHBondContact O-N 2.84Å; A268-I272 VanDerWaalsContact O-CG1 3.28Å; A268-I272 WeakPolarHBondContact O-CG1 3.48Å; A268-I272 PolarHBondContact O-N 3.36Å; A268-L541 HydrophobicContact CB-CD1 4.17Å; A268-S544 WeakPolarHBondContact CB-OG 3.3Å; A268-A545 HydrophobicContact CB-CB 4.3Å; A268-Q548 VanDerWaalsContact CB-NE2 3.29Å
269K97.6Very high92.2Very high111 Ų11148.7 Ų48.748%0.48326%0.26SS..Hα-helixtrans-58.2-44.3171.9-74.9170.4-162.9157.50111.3P265 D266 I272 R273P265-K269 VanDerWaalsContact O-CG 3.23Å; P265-K269 WeakPolarHBondContact O-CG 3.34Å; P265-K269 PolarHBondContact O-N 3.02Å; D266-K269 PolarHBondContact O-N 3.49Å; D266-K269 IonicContact OD1-NZ 3.74Å; D266-K269 PolarHBondContact OD1-NZ 2.85Å; K269-I272 PolarHBondContact O-N 2.77Å; K269-R273 PolarHBondContact O-N 2.8Å
270R98.2Very high93Very high114 Ų11453.2 Ų53.243%0.4328%0.277SS..Hα-helixtrans-66.2-39.9178.4-173.2166.7-176.4-131.5-2.3111.3D266 E267 A268 R273 V274 Y518D266-R270 PolarHBondContact O-N 3.16Å; E267-R270 PolarHBondContact O-N 3.14Å; A268-R270 VanDerWaalsContact C-N 3.31Å; A268-R270 PolarHBondContact O-N 3.12Å; R270-R273 PolarHBondContact O-N 2.84Å; R270-V274 WeakPolarHBondContact O-CG2 3.41Å; R270-V274 PolarHBondContact O-N 2.86Å; R270-V274 VanDerWaalsContact O-N 3.07Å; R270-Y518 HydrophobicContact CB-CE1 4.24Å; R270-Y518 HydrophobicContact CB-CE2 4.16Å; R270-Y518 VanDerWaalsContact CD-CE2 3.46Å; R270-Y518 HydrophobicContact CG-CD2 4.07Å; R270-Y518 HydrophobicContact CG-CE1 4.2Å; R270-Y518 HydrophobicContact CG-CE2 3.69Å; R270-Y518 HydrophobicContact CG-CG 4.48Å; R270-Y518 VanDerWaalsContact NH1-CE2 3.27Å
271L98.6Very high93.6Very high1 Ų152.9 Ų52.91%0.00526%0.263CS..Hα-helixtrans-58.7-49.5172.6-176.254.7000111.1E267 A268 R273 V274 L275 Y518 L519 L541 L542 A545E267-L271 PolarHBondContact O-N 2.68Å; A268-L271 WeakPolarHBondContact O-CB 3.16Å; A268-L271 PolarHBondContact O-N 2.84Å; L271-R273 VanDerWaalsContact C-N 3.28Å; L271-R273 PolarHBondContact O-N 3.1Å; L271-V274 HydrophobicContact CD1-CG2 4.36Å; L271-V274 WeakPolarHBondContact O-CG2 3.38Å; L271-V274 PolarHBondContact O-N 2.76Å; L271-L275 WeakPolarHBondContact O-CB 3.35Å; L271-L275 PolarHBondContact O-N 2.82Å; L271-Y518 HydrophobicContact CB-CD1 4.39Å; L271-Y518 HydrophobicContact CB-CE1 3.79Å; L271-Y518 HydrophobicContact CD1-CD1 4.14Å; L271-Y518 HydrophobicContact CD1-CE1 4.3Å; L271-L519 HydrophobicContact CD1-CD2 4Å; L271-L519 HydrophobicContact CD1-CG 4.35Å; L271-L541 HydrophobicContact CD2-CD2 4.08Å; L271-L541 HydrophobicContact CD2-CG 3.84Å; L271-L542 HydrophobicContact CD2-CD1 4Å; L271-A545 HydrophobicContact CD2-CB 4.26Å
272I98.8Very high94.4Very high20 Ų2049.5 Ų49.510%0.10323%0.227CC..Hα-helixtrans-56.2-45.7177.6-70.7164.1000110A268 K269 S276 L311 A545 Q548 L549A268-I272 VanDerWaalsContact O-CG1 3.28Å; A268-I272 WeakPolarHBondContact O-CG1 3.48Å; A268-I272 PolarHBondContact O-N 3.36Å; K269-I272 PolarHBondContact O-N 2.77Å; I272-S276 WeakPolarHBondContact O-CA 3.34Å; I272-S276 WeakPolarHBondContact O-CB 3.3Å; I272-S276 PolarHBondContact O-N 3.39Å; I272-L311 HydrophobicContact CG2-CD2 4.46Å; I272-A545 HydrophobicContact CD1-CB 4.14Å; I272-A545 HydrophobicContact CG1-CB 3.79Å; I272-Q548 HydrophobicContact CD1-CB 3.67Å; I272-L549 HydrophobicContact CD1-CD2 4.1Å; I272-L549 HydrophobicContact CD1-CG 4.02Å; I272-L549 HydrophobicContact CG1-CD1 4.4Å; I272-L549 HydrophobicContact CG1-CD2 4.17Å; I272-L549 HydrophobicContact CG1-CG 4.17Å; I272-L549 HydrophobicContact CG2-CD2 3.83Å
273R98.7Very high95.4Very high165 Ų16548.7 Ų48.762%0.62322%0.221SC*.Hα-helixtrans-60.9-52.5-179.3-173-179.668.4-173.43.5112.1K269 R270 L271 S276 E277K269-R273 PolarHBondContact O-N 2.8Å; R270-R273 PolarHBondContact O-N 2.84Å; L271-R273 VanDerWaalsContact C-N 3.28Å; L271-R273 PolarHBondContact O-N 3.1Å; R273-S276 PolarHBondContact O-N 3.08Å; R273-E277 PolarHBondContact O-N 2.96Å; R273-E277 VanDerWaalsContact O-N 3.09Å
274V98.6Very high96.1Very high20 Ų2050.4 Ų50.412%0.12123%0.225CC..Hα-helixtrans-67.4-39.7-178.2-61.90000111.6R270 L271 E277 A278 V515 Y518R270-V274 WeakPolarHBondContact O-CG2 3.41Å; R270-V274 PolarHBondContact O-N 2.86Å; R270-V274 VanDerWaalsContact O-N 3.07Å; L271-V274 HydrophobicContact CD1-CG2 4.36Å; L271-V274 WeakPolarHBondContact O-CG2 3.38Å; L271-V274 PolarHBondContact O-N 2.76Å; V274-E277 PolarHBondContact O-N 3.37Å; V274-A278 WeakPolarHBondContact O-CB 3.49Å; V274-A278 PolarHBondContact O-N 3.42Å; V274-V515 HydrophobicContact CB-CG2 4.29Å; V274-V515 HydrophobicContact CG2-CG2 4.09Å; V274-Y518 HydrophobicContact CG2-CD1 3.87Å; V274-Y518 HydrophobicContact CG2-CG 4.31Å
275L98.8Very high96.3Very high2 Ų248.2 Ų48.21%0.0122%0.224CC..Hα-helixtrans-70.8-36.1178.3-172.461.9000111.9L271 A278 V279 I307 L308 L311 P509 Y510 V515L271-L275 WeakPolarHBondContact O-CB 3.35Å; L271-L275 PolarHBondContact O-N 2.82Å; L275-A278 WeakPolarHBondContact O-CB 3.44Å; L275-A278 PolarHBondContact O-N 2.81Å; L275-V279 VanDerWaalsContact O-CG2 3.29Å; L275-V279 WeakPolarHBondContact O-CG2 3.42Å; L275-V279 PolarHBondContact O-N 2.91Å; L275-I307 HydrophobicContact CD2-CG2 3.6Å; L275-L308 HydrophobicContact CD1-CD2 4.37Å; L275-L311 HydrophobicContact CB-CD1 4.1Å; L275-L311 HydrophobicContact CD2-CD1 3.85Å; L275-L311 HydrophobicContact CG-CD1 3.69Å; L275-P509 HydrophobicContact CD1-CB 3.89Å; L275-Y510 HydrophobicContact CD1-CD1 3.95Å; L275-Y510 HydrophobicContact CD1-CE1 4.05Å; L275-Y510 HydrophobicContact CD1-CG 4.42Å; L275-Y510 HydrophobicContact CD2-CD1 4.25Å; L275-Y510 HydrophobicContact CD2-CE1 3.55Å; L275-Y510 HydrophobicContact CG-CE1 4.48Å; L275-V515 HydrophobicContact CB-CG2 4.33Å; L275-V515 HydrophobicContact CD1-CG1 4.43Å; L275-V515 HydrophobicContact CD1-CG2 4.08Å
276S98.8Very high96.2Very high17 Ų1746.7 Ų46.712%0.11921%0.214CC..Hα-helixtrans-63.7-42.1175.2-168.80000111I272 R273 V279 R280 H315I272-S276 WeakPolarHBondContact O-CA 3.34Å; I272-S276 WeakPolarHBondContact O-CB 3.3Å; I272-S276 PolarHBondContact O-N 3.39Å; R273-S276 PolarHBondContact O-N 3.08Å; S276-V279 PolarHBondContact O-N 2.98Å; S276-R280 WeakPolarHBondContact O-CB 3.34Å; S276-R280 PolarHBondContact O-N 3.18Å; S276-H315 PolarHBondContact O-CD2 2.87Å; S276-H315 PolarHBondContact O-NE2 3.38Å; S276-H315 PolarHBondContact OG-NE2 3.07Å
277E98.6Very high95.6Very high55 Ų5547.6 Ų47.626%0.25723%0.225SC..Hα-helixtrans-65.8-41.5174.1179.255.9-157.600111.9R273 V274 V279 R280 R281R273-E277 PolarHBondContact O-N 2.96Å; R273-E277 VanDerWaalsContact O-N 3.09Å; V274-E277 PolarHBondContact O-N 3.37Å; E277-V279 VanDerWaalsContact C-N 3.31Å; E277-V279 PolarHBondContact O-N 2.86Å; E277-R280 WeakPolarHBondContact O-CB 3.31Å; E277-R280 PolarHBondContact O-N 2.97Å; E277-R280 IonicContact OE1-CZ 2.8Å; E277-R280 IonicContact OE1-NE 3.92Å; E277-R280 PolarHBondContact OE1-NE 3.34Å; E277-R280 IonicContact OE1-NH2 2.79Å; E277-R280 PolarHBondContact OE1-NH2 2.83Å; E277-R280 IonicContact OE2-CZ 3.14Å; E277-R280 IonicContact OE2-NE 2.76Å; E277-R280 PolarHBondContact OE2-NE 2.65Å; E277-R280 IonicContact OE2-NH2 3.24Å; E277-R281 WeakPolarHBondContact O-CG 3.4Å; E277-R281 PolarHBondContact O-N 2.83Å; E277-R281 VanDerWaalsContact O-N 3.08Å; E277-R281 IonicContact OE1-CZ 2.67Å; E277-R281 IonicContact OE1-NE 3.15Å; E277-R281 PolarHBondContact OE1-NE 2.76Å; E277-R281 IonicContact OE1-NH2 2.81Å; E277-R281 PolarHBondContact OE1-NH2 3.37Å
278A98.7Very high94.8Very high1 Ų146.8 Ų46.81%0.00823%0.225CC..Hα-helixtrans-58.9-42.1173.900000112.2V274 L275 R282 P509 D512 V515V274-A278 WeakPolarHBondContact O-CB 3.49Å; V274-A278 PolarHBondContact O-N 3.42Å; L275-A278 WeakPolarHBondContact O-CB 3.44Å; L275-A278 PolarHBondContact O-N 2.81Å; A278-R282 WeakPolarHBondContact O-CB 3.23Å; A278-R282 VanDerWaalsContact O-CD 3.32Å; A278-R282 WeakPolarHBondContact O-CD 3.34Å; A278-R282 VanDerWaalsContact O-CG 3.28Å; A278-R282 WeakPolarHBondContact O-CG 3.19Å; A278-R282 PolarHBondContact O-N 3.49Å; A278-R282 PolarHBondContact O-NH1 2.82Å; A278-P509 HydrophobicContact CB-CB 4.41Å; A278-D512 HydrophobicContact CB-CB 3.49Å; A278-D512 VanDerWaalsContact CB-CB 3.49Å; A278-V515 HydrophobicContact CB-CG2 3.77Å
279V98.8Very high94Very high0 Ų053.2 Ų53.20%026%0.259CS..Hα-helixtrans-67.1-45.2174.6172.60000110.7L275 S276 E277 R281 R282 V283 L308 L311 A312 L449 P509L275-V279 VanDerWaalsContact O-CG2 3.29Å; L275-V279 WeakPolarHBondContact O-CG2 3.42Å; L275-V279 PolarHBondContact O-N 2.91Å; S276-V279 PolarHBondContact O-N 2.98Å; E277-V279 VanDerWaalsContact C-N 3.31Å; E277-V279 PolarHBondContact O-N 2.86Å; V279-R281 VanDerWaalsContact C-N 3.31Å; V279-R281 PolarHBondContact O-N 2.95Å; V279-R282 CarbonylContact O-C 3.58Å; V279-R282 WeakPolarHBondContact O-CA 3.24Å; V279-R282 PolarHBondContact O-N 3.44Å; V279-V283 HydrophobicContact CG1-CG1 3.87Å; V279-V283 WeakPolarHBondContact O-CG1 3.44Å; V279-V283 PolarHBondContact O-N 3.11Å; V279-L308 HydrophobicContact CG2-CD2 3.86Å; V279-L311 HydrophobicContact CB-CB 4.22Å; V279-L311 HydrophobicContact CG1-CB 4.14Å; V279-L311 HydrophobicContact CG2-CB 4.06Å; V279-L311 HydrophobicContact CG2-CD1 4.32Å; V279-A312 HydrophobicContact CG1-CB 4.2Å; V279-L449 HydrophobicContact CG1-CD1 4.32Å; V279-P509 HydrophobicContact CG2-CB 3.77Å; V279-P509 HydrophobicContact CG2-CG 3.97Å
280R98.3Very high93.1Very high97 Ų9753 Ų5337%0.36628%0.278SS..Hα-helixtrans-52.6-46.7178.1-169.9-168.869.778.53.1112.3S276 E277 V283 H315S276-R280 WeakPolarHBondContact O-CB 3.34Å; S276-R280 PolarHBondContact O-N 3.18Å; E277-R280 WeakPolarHBondContact O-CB 3.31Å; E277-R280 PolarHBondContact O-N 2.97Å; E277-R280 IonicContact OE1-CZ 2.8Å; E277-R280 IonicContact OE1-NE 3.92Å; E277-R280 PolarHBondContact OE1-NE 3.34Å; E277-R280 IonicContact OE1-NH2 2.79Å; E277-R280 PolarHBondContact OE1-NH2 2.83Å; E277-R280 IonicContact OE2-CZ 3.14Å; E277-R280 IonicContact OE2-NE 2.76Å; E277-R280 PolarHBondContact OE2-NE 2.65Å; E277-R280 IonicContact OE2-NH2 3.24Å; R280-V283 WeakPolarHBondContact O-CG2 3.46Å; R280-H315 HydrophobicContact CB-CB 4.4Å; R280-H315 HydrophobicContact CG-CB 4.32Å
281R96.3Very high92.2Very high51 Ų5150.3 Ų50.319%0.19229%0.285CS..Hα-helixtrans-65.5-39176.3-63.7175.1-167.3163.9-2.1111.5F80 E277 V279 Q284 D514F80-R281 HydrophobicContact CB-CB 4.4Å; F80-R281 HydrophobicContact CD1-CB 4.06Å; F80-R281 WeakPolarHBondContact CE1-O 3.17Å; F80-R281 HydrophobicContact CG-CB 4.39Å; E277-R281 WeakPolarHBondContact O-CG 3.4Å; E277-R281 PolarHBondContact O-N 2.83Å; E277-R281 VanDerWaalsContact O-N 3.08Å; E277-R281 IonicContact OE1-CZ 2.67Å; E277-R281 IonicContact OE1-NE 3.15Å; E277-R281 PolarHBondContact OE1-NE 2.76Å; E277-R281 IonicContact OE1-NH2 2.81Å; E277-R281 PolarHBondContact OE1-NH2 3.37Å; V279-R281 VanDerWaalsContact C-N 3.31Å; V279-R281 PolarHBondContact O-N 2.95Å; R281-Q284 WeakPolarHBondContact O-CB 3.24Å; R281-Q284 WeakPolarHBondContact O-CG 3.45Å; R281-Q284 PolarHBondContact O-N 3.42Å; R281-D514 IonicContact CZ-OD2 3.16Å; R281-D514 IonicContact NH1-OD2 2.89Å; R281-D514 PolarHBondContact NH1-OD2 2.92Å; R281-D514 IonicContact NH2-OD2 2.75Å
282R97.1Very high91.9Very high3 Ų351.7 Ų51.71%0.01130%0.295CS..Hα-helixtrans-83.5-10.5-175.2-73.2166.7-177.764.54.7115.1F80 A278 V279 Q284 V447 L449 R507 F508 D512F80-R282 HydrophobicContact CE2-CG 4.06Å; F80-R282 HydrophobicContact CZ-CG 4.05Å; A278-R282 WeakPolarHBondContact O-CB 3.23Å; A278-R282 VanDerWaalsContact O-CD 3.32Å; A278-R282 WeakPolarHBondContact O-CD 3.34Å; A278-R282 VanDerWaalsContact O-CG 3.28Å; A278-R282 WeakPolarHBondContact O-CG 3.19Å; A278-R282 PolarHBondContact O-N 3.49Å; A278-R282 PolarHBondContact O-NH1 2.82Å; V279-R282 CarbonylContact O-C 3.58Å; V279-R282 WeakPolarHBondContact O-CA 3.24Å; V279-R282 PolarHBondContact O-N 3.44Å; R282-Q284 VanDerWaalsContact C-N 3.35Å; R282-V447 WeakPolarHBondContact O-CG1 3.34Å; R282-L449 HydrophobicContact CB-CD2 4Å; R282-R507 VanDerWaalsContact C-NH1 3.32Å; R282-R507 HydrophobicContact CB-CB 4.17Å; R282-R507 HydrophobicContact CG-CB 4.17Å; R282-R507 WeakPolarHBondContact O-CD 3.43Å; R282-R507 PolarHBondContact O-NH1 2.98Å; R282-F508 PolarHBondContact NE-O 2.78Å; R282-F508 VanDerWaalsContact NE-O 3.14Å; R282-D512 IonicContact CZ-OD2 3.77Å; R282-D512 IonicContact NH1-OD2 3.24Å; R282-D512 PolarHBondContact NH1-OD2 3.3Å; R282-D512 IonicContact NH2-OD2 2.72Å; R282-D512 PolarHBondContact NH2-OD2 3.19Å
283V96.4Very high91.6Very high13 Ų1350.9 Ų50.98%0.07929%0.291CS..THydrogen-bonded Turntrans-87.7-6.3170.7-63.50000113V279 R280 A285 V295 A312 H315 V316 L449V279-V283 HydrophobicContact CG1-CG1 3.87Å; V279-V283 WeakPolarHBondContact O-CG1 3.44Å; V279-V283 PolarHBondContact O-N 3.11Å; R280-V283 WeakPolarHBondContact O-CG2 3.46Å; V283-A285 PolarHBondContact O-N 2.86Å; V283-V295 HydrophobicContact CB-CG2 4Å; V283-V295 HydrophobicContact CG1-CG1 4.25Å; V283-V295 HydrophobicContact CG1-CG2 4.31Å; V283-A312 HydrophobicContact CG1-CB 4.19Å; V283-H315 HydrophobicContact CG2-CB 3.71Å; V283-V316 HydrophobicContact CB-CG2 4.03Å; V283-V316 HydrophobicContact CG1-CG2 4.08Å; V283-V316 HydrophobicContact CG2-CG2 4.44Å; V283-L449 HydrophobicContact CG1-CD1 4.11Å
284Q91.1Very high91.4Very high90 Ų9043.9 Ų43.942%0.42127%0.267SS..  trans-66.2115.8176.3-63.2-1792.400110.4R281 R282 R507R281-Q284 WeakPolarHBondContact O-CB 3.24Å; R281-Q284 WeakPolarHBondContact O-CG 3.45Å; R281-Q284 PolarHBondContact O-N 3.42Å; R282-Q284 VanDerWaalsContact C-N 3.35Å; Q284-R507 PolarHBondContact O-NH1 3.39Å; Q284-R507 PolarHBondContact O-NH2 3.14Å
285A85.8Confident91.4Very high32 Ų3242.9 Ų42.926%0.26426%0.262SS..  trans-140162.9-177.400000109.5V283 V447V283-A285 PolarHBondContact O-N 2.86Å; A285-V447 HydrophobicContact CB-CG2 3.71Å
286P83.3Confident91.3Very high28 Ų2842.8 Ų42.818%0.18226%0.261CS..SBendtrans-56.6150.9168.8-20.734.1000110.4M56M56-P286 WeakPolarHBondContact O-CD 3.41Å; M56-P286 WeakPolarHBondContact O-CG 3.48Å
287P81.2Confident91.3Very high123 Ų12342 Ų4280%0.79926%0.256SS*.PPolyproline II helixtrans-54.3129.3178.9-23.732.9000110.9
288P80.9Confident91.3Very high39 Ų3940.6 Ų40.625%0.25325%0.249SC..PPolyproline II helixtrans-72.6164.4177.431-33000110.7S292P288-S292 WeakPolarHBondContact CB-O 3.25Å
289L79.6Confident91.3Very high136 Ų13640.7 Ų40.771%0.71225%0.25SC*.SBendtrans-57.9148.5162.3-67.1169.9000109.7G291 S292L289-G291 PolarHBondContact O-N 3.09Å; L289-S292 VanDerWaalsContact O-CB 3.27Å; L289-S292 WeakPolarHBondContact O-CB 3.31Å; L289-S292 PolarHBondContact O-N 2.68Å
290A78.9Confident91.2Very high107 Ų10742.7 Ų42.788%0.88426%0.264SS*.THydrogen-bonded Turntrans-52128.3-178.500000111.5S292A290-S292 PolarHBondContact O-N 3.15Å
291G80Confident91.1Very high56 Ų5638.1 Ų38.158%0.57725%0.246SC*.THydrogen-bonded Turntrans74.81.5-179.200000116L289L289-G291 PolarHBondContact O-N 3.09Å
292S90.3Very high91.1Very high31 Ų3136.4 Ų36.422%0.21725%0.245CC..  trans-95.3154.7176.1-63.20000112.4P288 L289 A290 S444P288-S292 WeakPolarHBondContact CB-O 3.25Å; L289-S292 VanDerWaalsContact O-CB 3.27Å; L289-S292 WeakPolarHBondContact O-CB 3.31Å; L289-S292 PolarHBondContact O-N 2.68Å; A290-S292 PolarHBondContact O-N 3.15Å; S292-S444 WeakPolarHBondContact CB-OG 3.46Å
293A94Very high91.1Very high2 Ų236.5 Ų36.52%0.01725%0.246CC..  trans-79.9135172.900000110.3P321 D323 A445A293-P321 HydrophobicContact CB-CB 4.45Å; A293-P321 HydrophobicContact CB-CG 4.06Å; A293-P321 VanDerWaalsContact CB-O 3.25Å; A293-P321 WeakPolarHBondContact CB-O 3.28Å; A293-D323 HydrophobicContact CB-CB 4.25Å; A293-D323 VanDerWaalsContact CB-CG 3.41Å; A293-D323 VanDerWaalsContact CB-OD1 3.27Å; A293-D323 WeakPolarHBondContact CB-OD1 3.36Å; A293-A445 WeakPolarHBondContact O-CA 3.39Å; A293-A445 PolarHBondContact O-N 3Å
294S94.1Very high91.1Very high18 Ų1836.5 Ų36.513%0.12625%0.245CC..SBendtrans-86.1-20.3168.255.30000112.5V447S294-V447 PolarHBondContact O-N 2.84Å
295V97.6Very high91.5Very high0 Ų032.4 Ų32.40%023%0.226CC..EExtended strand (participates in β ladder)trans-127.2133.7-174.5179.70000110.1V283 V316 D323 V447 L449V283-V295 HydrophobicContact CB-CG2 4Å; V283-V295 HydrophobicContact CG1-CG1 4.25Å; V283-V295 HydrophobicContact CG1-CG2 4.31Å; V295-V316 HydrophobicContact CB-CG2 4.44Å; V295-V316 HydrophobicContact CG2-CG2 4.23Å; V295-D323 PolarHBondContact O-N 2.85Å; V295-V447 HydrophobicContact CG1-CG1 4.36Å; V295-V447 HydrophobicContact CG2-CB 4.36Å; V295-V447 HydrophobicContact CG2-CG1 4.41Å; V295-L449 HydrophobicContact CG1-CD1 4.18Å; V295-L449 HydrophobicContact CG1-CG 4.06Å
296A98.5Very high92.1Very high0 Ų030.9 Ų30.90%021%0.214CC..EExtended strand (participates in β ladder)trans-118.9158.5168.900000111.1D323 L325 A445 V447 V448 L449A296-D323 CarbonylContact C-O 3.52Å; A296-D323 WeakPolarHBondContact CA-O 3Å; A296-D323 HydrophobicContact CB-CB 3.9Å; A296-L325 HydrophobicContact CB-CD1 3.77Å; A296-L325 HydrophobicContact CB-CD2 4.4Å; A296-L325 HydrophobicContact CB-CG 3.97Å; A296-A445 HydrophobicContact CB-CB 3.75Å; A296-V447 PolarHBondContact N-O 3.5Å; A296-V448 HydrophobicContact CB-CG2 4.42Å; A296-V448 CarbonylContact O-C 3.57Å; A296-V448 WeakPolarHBondContact O-CA 3.48Å; A296-L449 PolarHBondContact O-N 3.1Å
297V98.8Very high92.8Very high0 Ų029.6 Ų29.60%021%0.205CC..EExtended strand (participates in β ladder)trans-121.6130.6173.1-174.90000108.5F299 L308 I322 D323 L324 L325 L449V297-F299 HydrophobicContact CG1-CB 4.45Å; V297-F299 HydrophobicContact CG1-CD2 4.45Å; V297-F299 PolarHBondContact O-N 3.05Å; V297-F299 VanDerWaalsContact O-N 3.08Å; V297-L308 HydrophobicContact CG1-CB 4.47Å; V297-I322 HydrophobicContact CG2-CG2 4.21Å; V297-D323 PolarHBondContact N-O 2.98Å; V297-L324 HydrophobicContact CB-CD2 4.09Å; V297-L324 HydrophobicContact CG2-CD2 4.3Å; V297-L325 PolarHBondContact O-N 2.86Å; V297-L449 HydrophobicContact CG2-CB 4.33Å; V297-L449 HydrophobicContact CG2-CD1 4.39Å
298L98.6Very high93.6Very high25 Ų2523.7 Ų23.713%0.13117%0.167CC..EExtended strand (participates in β ladder)trans-68.1106.2164.5-63.7-173.6000108.2S305 L325 V422 A425 V448 L449 T450L298-S305 WeakPolarHBondContact O-CB 3.25Å; L298-L325 HydrophobicContact CD2-CB 4.35Å; L298-L325 HydrophobicContact CD2-CD1 4.3Å; L298-V422 HydrophobicContact CD1-CG1 4.1Å; L298-A425 HydrophobicContact CD2-CB 3.82Å; L298-V448 HydrophobicContact CD1-CG1 4.28Å; L298-V448 HydrophobicContact CD2-CG1 3.65Å; L298-V448 HydrophobicContact CG-CG1 3.53Å; L298-L449 PolarHBondContact N-O 3.22Å; L298-T450 HydrophobicContact CD1-CG2 3.97Å; L298-T450 HydrophobicContact CG-CG2 4.47Å
299F98.4Very high94.5Very high4 Ų421.9 Ų21.92%0.01816%0.155CC..  trans-121.1104.1-158.9-172.7-97.5000112.1V297 M306 A309 L324 L325 N326 L374 F385V297-F299 HydrophobicContact CG1-CB 4.45Å; V297-F299 HydrophobicContact CG1-CD2 4.45Å; V297-F299 PolarHBondContact O-N 3.05Å; V297-F299 VanDerWaalsContact O-N 3.08Å; F299-M306 HydrophobicContact CE2-CG 4.2Å; F299-M306 HydrophobicContact CE2-SD 3.47Å; F299-M306 WeakPolarHBondContact CE2-SD 3.25Å; F299-M306 HydrophobicContact CZ-CG 4.41Å; F299-M306 HydrophobicContact CZ-SD 3.46Å; F299-M306 WeakPolarHBondContact CZ-SD 3.45Å; F299-A309 HydrophobicContact CD2-CB 4.4Å; F299-A309 HydrophobicContact CE2-CB 4.16Å; F299-L324 HydrophobicContact CB-CB 3.88Å; F299-L324 HydrophobicContact CB-CD2 4.3Å; F299-L324 HydrophobicContact CD1-CB 3.95Å; F299-L324 HydrophobicContact CD1-CD1 4.13Å; F299-L324 HydrophobicContact CD1-CG 4.48Å; F299-L324 HydrophobicContact CD2-CD1 4.37Å; F299-L324 HydrophobicContact CD2-CD2 3.85Å; F299-L324 HydrophobicContact CD2-CG 4.48Å; F299-L324 HydrophobicContact CE1-CD1 4.01Å; F299-L324 HydrophobicContact CE2-CD1 4.26Å; F299-L324 HydrophobicContact CE2-CD2 4.31Å; F299-L324 HydrophobicContact CG-CB 3.88Å; F299-L324 HydrophobicContact CG-CD1 4.29Å; F299-L324 HydrophobicContact CG-CD2 4.03Å; F299-L324 HydrophobicContact CG-CG 4.29Å; F299-L324 HydrophobicContact CZ-CD1 4.07Å; F299-L325 PolarHBondContact N-O 3.32Å; F299-N326 WeakPolarHBondContact O-CB 3.27Å; F299-N326 PolarHBondContact O-ND2 3.2Å; F299-L374 HydrophobicContact CE2-CD1 3.85Å; F299-L374 HydrophobicContact CZ-CD1 3.85Å; F299-F385 HydrophobicContact CD1-CD2 4.12Å; F299-F385 AromaticContact CD1-CE2 3.77Å; F299-F385 HydrophobicContact CD1-CE2 3.77Å; F299-F385 HydrophobicContact CE1-CD2 4.27Å; F299-F385 AromaticContact CE1-CE2 3.95Å; F299-F385 HydrophobicContact CE1-CE2 3.95Å
300S96.6Very high95.4Very high42 Ų4215.8 Ų15.829%0.29413%0.125SC..  trans-93.3-12.317562.20000113.3G302 S305 G367S300-G302 PolarHBondContact O-N 3.17Å; S300-G302 PolarHBondContact OG-N 3.32Å; S300-G302 VanDerWaalsContact OG-N 3.13Å; S300-S305 PolarHBondContact N-OG 2.87Å; S300-S305 PolarHBondContact OG-OG 2.88Å; S300-G367 PolarHBondContact O-N 3.45Å
301G95.5Very high96.3Very high0 Ų010.7 Ų10.70%08%0.083CC..SBendtrans76.51.6-165.900000113.6S305 S370G301-S305 PolarHBondContact N-OG 2.88Å; G301-S370 VanDerWaalsContact CA-OG 3.31Å; G301-S370 WeakPolarHBondContact CA-OG 3.39Å; G301-S370 PolarHBondContact O-OG 3.05Å; G301-S370 VanDerWaalsContact O-OG 3.11Å
302G96.1Very high97.2Very high16 Ų168 Ų817%0.1656%0.055CC..SBendtrans-69.4159.2167.800000111.6S300 D304 S305 M306S300-G302 PolarHBondContact O-N 3.17Å; S300-G302 PolarHBondContact OG-N 3.32Å; S300-G302 VanDerWaalsContact OG-N 3.13Å; G302-D304 PolarHBondContact O-N 2.99Å; G302-D304 VanDerWaalsContact O-N 3.11Å; G302-S305 PolarHBondContact O-N 3.2Å; G302-S305 PolarHBondContact O-OG 3.18Å; G302-M306 WeakPolarHBondContact O-CG 3.12Å; G302-M306 PolarHBondContact O-N 3.02Å
303I97Very high97.6Very high5 Ų57.8 Ų7.83%0.0265%0.052CC..Hα-helixtrans-51.5-39.3-175.6-170.9169000113.7S305 M306 I307 K539 L542 R543 A546I303-S305 PolarHBondContact O-N 3.03Å; I303-M306 PolarHBondContact O-N 3.5Å; I303-I307 HydrophobicContact CD1-CD1 4.36Å; I303-I307 HydrophobicContact CG1-CD1 3.88Å; I303-I307 HydrophobicContact CG1-CG1 4.31Å; I303-I307 WeakPolarHBondContact O-CG1 3.45Å; I303-I307 PolarHBondContact O-N 3.38Å; I303-K539 HydrophobicContact CG2-CD 4.23Å; I303-L542 HydrophobicContact CD1-CG 4.27Å; I303-L542 HydrophobicContact CG1-CD2 4.45Å; I303-L542 HydrophobicContact CG1-CG 4.38Å; I303-L542 HydrophobicContact CG2-CD2 4.22Å; I303-R543 VanDerWaalsContact CD1-CA 3.43Å; I303-R543 HydrophobicContact CD1-CB 4.02Å; I303-R543 HydrophobicContact CD1-CG 3.47Å; I303-R543 VanDerWaalsContact CD1-CG 3.47Å; I303-A546 HydrophobicContact CD1-CB 3.76Å; I303-A546 HydrophobicContact CG1-CB 4.03Å
304D97.9Very high97.8Very high13 Ų1314.1 Ų14.17%0.078%0.075CC..Hα-helixtrans-60.2-52.6-177.6-47.1-35.8000110.9G302 M306 L308 A454 Y510 K539 L542 K559G302-D304 PolarHBondContact O-N 2.99Å; G302-D304 VanDerWaalsContact O-N 3.11Å; D304-M306 VanDerWaalsContact C-N 3.34Å; D304-L308 WeakPolarHBondContact O-CG 3.48Å; D304-L308 PolarHBondContact O-N 2.89Å; D304-A454 HydrophobicContact CB-CB 4.29Å; D304-Y510 HydrophobicContact CB-CE2 4.26Å; D304-Y510 PolarHBondContact O-OH 2.94Å; D304-K539 WeakPolarHBondContact OD1-CD 3.42Å; D304-K539 IonicContact OD1-NZ 3.23Å; D304-K539 PolarHBondContact OD1-NZ 3.32Å; D304-K539 IonicContact OD2-NZ 2.73Å; D304-K539 PolarHBondContact OD2-NZ 3.1Å; D304-L542 WeakPolarHBondContact OD1-CD2 3.25Å; D304-K559 WeakPolarHBondContact OD2-CE 2.9Å
305S98.2Very high97.9Very high3 Ų316 Ų162%0.0218%0.082CC..Hα-helixtrans-71.1-2917954.10000112.8L298 S300 G301 G302 I303 L308 A309L298-S305 WeakPolarHBondContact O-CB 3.25Å; S300-S305 PolarHBondContact N-OG 2.87Å; S300-S305 PolarHBondContact OG-OG 2.88Å; G301-S305 PolarHBondContact N-OG 2.88Å; G302-S305 PolarHBondContact O-N 3.2Å; G302-S305 PolarHBondContact O-OG 3.18Å; I303-S305 PolarHBondContact O-N 3.03Å; S305-L308 PolarHBondContact O-N 3.45Å; S305-A309 WeakPolarHBondContact O-CB 3.5Å; S305-A309 PolarHBondContact O-N 3.42Å
306M98.2Very high97.9Very high0 Ų016.4 Ų16.40%08%0.084CC..Hα-helixtrans-68.2-45.2178.6-82.5-64.5-85.100112.3F299 G302 I303 D304 L308 A309 A310 S370 E373 L374 L551F299-M306 HydrophobicContact CE2-CG 4.2Å; F299-M306 HydrophobicContact CE2-SD 3.47Å; F299-M306 WeakPolarHBondContact CE2-SD 3.25Å; F299-M306 HydrophobicContact CZ-CG 4.41Å; F299-M306 HydrophobicContact CZ-SD 3.46Å; F299-M306 WeakPolarHBondContact CZ-SD 3.45Å; G302-M306 WeakPolarHBondContact O-CG 3.12Å; G302-M306 PolarHBondContact O-N 3.02Å; I303-M306 PolarHBondContact O-N 3.5Å; D304-M306 VanDerWaalsContact C-N 3.34Å; M306-L308 VanDerWaalsContact C-N 3.32Å; M306-L308 PolarHBondContact O-N 3.46Å; M306-A309 PolarHBondContact O-N 3.37Å; M306-A310 WeakPolarHBondContact O-CB 3.4Å; M306-A310 PolarHBondContact O-N 3.42Å; M306-S370 WeakPolarHBondContact CE-O 3.32Å; M306-S370 VanDerWaalsContact SD-CB 3.55Å; M306-E373 HydrophobicContact CE-CB 4.05Å; M306-E373 HydrophobicContact CE-CG 4.13Å; M306-E373 VanDerWaalsContact CE-OE2 3.25Å; M306-E373 WeakPolarHBondContact CE-OE2 3.49Å; M306-L374 HydrophobicContact CE-CD2 4.15Å; M306-L374 HydrophobicContact CE-CG 3.96Å; M306-L374 HydrophobicContact SD-CD1 3.99Å; M306-L374 HydrophobicContact SD-CD2 4.15Å; M306-L374 HydrophobicContact SD-CG 3.89Å; M306-L551 HydrophobicContact CB-CD1 4.19Å; M306-L551 HydrophobicContact CE-CD2 3.67Å
307I98.7Very high97.6Very high1 Ų119.7 Ų19.71%0.00511%0.105CC..Hα-helixtrans-63.3-41.8174.5-70.1173.2000110.6L275 I303 A309 A310 L311 L542 A546 L549 L551L275-I307 HydrophobicContact CD2-CG2 3.6Å; I303-I307 HydrophobicContact CD1-CD1 4.36Å; I303-I307 HydrophobicContact CG1-CD1 3.88Å; I303-I307 HydrophobicContact CG1-CG1 4.31Å; I303-I307 WeakPolarHBondContact O-CG1 3.45Å; I303-I307 PolarHBondContact O-N 3.38Å; I307-A309 PolarHBondContact O-N 2.98Å; I307-A310 PolarHBondContact O-N 2.84Å; I307-L311 HydrophobicContact CG2-CD1 3.69Å; I307-L311 HydrophobicContact CG2-CG 4.19Å; I307-L311 WeakPolarHBondContact O-CB 3.47Å; I307-L311 VanDerWaalsContact O-CG 3.26Å; I307-L311 WeakPolarHBondContact O-CG 3.23Å; I307-L311 PolarHBondContact O-N 2.63Å; I307-L542 HydrophobicContact CD1-CD1 3.31Å; I307-L542 HydrophobicContact CD1-CD2 4.25Å; I307-L542 HydrophobicContact CD1-CG 3.42Å; I307-L542 VanDerWaalsContact CD1-CG 3.42Å; I307-L542 WeakPolarHBondContact CD1-O 3.38Å; I307-A546 HydrophobicContact CD1-CB 4.02Å; I307-A546 HydrophobicContact CG1-CB 4.12Å; I307-L549 HydrophobicContact CB-CD1 4.38Å; I307-L549 HydrophobicContact CG1-CD1 4.08Å; I307-L549 HydrophobicContact CG2-CD1 3.89Å; I307-L551 HydrophobicContact CG1-CD1 4.06Å
308L98.8Very high97.3Very high0 Ų022.9 Ų22.90%013%0.132CC..Hα-helixtrans-63.1-41.4177-65.8-173.5000112.3L275 V279 V297 D304 S305 M306 A312 L449 T450 P509 Y510L275-L308 HydrophobicContact CD1-CD2 4.37Å; V279-L308 HydrophobicContact CG2-CD2 3.86Å; V297-L308 HydrophobicContact CG1-CB 4.47Å; D304-L308 WeakPolarHBondContact O-CG 3.48Å; D304-L308 PolarHBondContact O-N 2.89Å; S305-L308 PolarHBondContact O-N 3.45Å; M306-L308 VanDerWaalsContact C-N 3.32Å; M306-L308 PolarHBondContact O-N 3.46Å; L308-A312 WeakPolarHBondContact O-CB 3.38Å; L308-A312 PolarHBondContact O-N 3.01Å; L308-L449 HydrophobicContact CD1-CB 4.45Å; L308-T450 VanDerWaalsContact CD1-C 3.49Å; L308-T450 WeakPolarHBondContact CD1-O 3.33Å; L308-P509 HydrophobicContact CD1-CG 4.29Å; L308-P509 HydrophobicContact CD2-CB 3.72Å; L308-P509 HydrophobicContact CD2-CG 3.79Å; L308-Y510 HydrophobicContact CD1-CD2 4.22Å; L308-Y510 HydrophobicContact CD1-CE2 3.76Å; L308-Y510 HydrophobicContact CD2-CD2 4.29Å; L308-Y510 HydrophobicContact CD2-CE2 3.72Å; L308-Y510 HydrophobicContact CG-CD2 4.48Å; L308-Y510 HydrophobicContact CG-CE2 3.68Å
309A98.8Very high97Very high0 Ų028.7 Ų28.70%016%0.158CC..Hα-helixtrans-62.7-50.617500000111.3F299 S305 M306 I307 L311 A312 D313 L324 L374 W383F299-A309 HydrophobicContact CD2-CB 4.4Å; F299-A309 HydrophobicContact CE2-CB 4.16Å; S305-A309 WeakPolarHBondContact O-CB 3.5Å; S305-A309 PolarHBondContact O-N 3.42Å; M306-A309 PolarHBondContact O-N 3.37Å; I307-A309 PolarHBondContact O-N 2.98Å; A309-L311 VanDerWaalsContact C-N 3.3Å; A309-L311 PolarHBondContact O-N 3.47Å; A309-A312 PolarHBondContact O-N 3.21Å; A309-A312 VanDerWaalsContact O-N 3.16Å; A309-D313 PolarHBondContact O-N 2.62Å; A309-L324 HydrophobicContact CB-CD2 4.17Å; A309-L374 HydrophobicContact CB-CD1 3.78Å; A309-L374 HydrophobicContact CB-CD2 4.08Å; A309-W383 HydrophobicContact CB-CH2 4.17Å; A309-W383 HydrophobicContact CB-CZ3 4.05Å; A309-W383 WeakPolarHBondContact O-CH2 3.18Å
310A98.6Very high96.7Very high9 Ų930.8 Ų30.87%0.07417%0.168CC..Hα-helixtrans-60.9-36.6179.200000113M306 I307 L374 L551M306-A310 WeakPolarHBondContact O-CB 3.4Å; M306-A310 PolarHBondContact O-N 3.42Å; I307-A310 PolarHBondContact O-N 2.84Å; A310-L374 HydrophobicContact CB-CD2 4.33Å; A310-L551 HydrophobicContact CB-CD1 4.48Å
311L98.8Very high96.7Very high0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-77.2-33.6175.5-68.3177.9000112.5I272 L275 V279 I307 A309 D313 R314 H315 L549I272-L311 HydrophobicContact CG2-CD2 4.46Å; L275-L311 HydrophobicContact CB-CD1 4.1Å; L275-L311 HydrophobicContact CD2-CD1 3.85Å; L275-L311 HydrophobicContact CG-CD1 3.69Å; V279-L311 HydrophobicContact CB-CB 4.22Å; V279-L311 HydrophobicContact CG1-CB 4.14Å; V279-L311 HydrophobicContact CG2-CB 4.06Å; V279-L311 HydrophobicContact CG2-CD1 4.32Å; I307-L311 HydrophobicContact CG2-CD1 3.69Å; I307-L311 HydrophobicContact CG2-CG 4.19Å; I307-L311 WeakPolarHBondContact O-CB 3.47Å; I307-L311 VanDerWaalsContact O-CG 3.26Å; I307-L311 WeakPolarHBondContact O-CG 3.23Å; I307-L311 PolarHBondContact O-N 2.63Å; A309-L311 VanDerWaalsContact C-N 3.3Å; A309-L311 PolarHBondContact O-N 3.47Å; L311-D313 VanDerWaalsContact C-N 3.31Å; L311-R314 WeakPolarHBondContact O-CB 3.37Å; L311-R314 PolarHBondContact O-N 3.28Å; L311-H315 PolarHBondContact O-CD2 2.88Å; L311-L549 HydrophobicContact CD2-CD1 4.31Å; L311-L549 HydrophobicContact CD2-CD2 3.91Å; L311-L549 HydrophobicContact CG-CD1 4.35Å
312A98.6Very high96.9Very high0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-64.1-39.1175.400000111V279 V283 L308 A309 R314 H315 V316 I322 L449V279-A312 HydrophobicContact CG1-CB 4.2Å; V283-A312 HydrophobicContact CG1-CB 4.19Å; L308-A312 WeakPolarHBondContact O-CB 3.38Å; L308-A312 PolarHBondContact O-N 3.01Å; A309-A312 PolarHBondContact O-N 3.21Å; A309-A312 VanDerWaalsContact O-N 3.16Å; A312-R314 PolarHBondContact O-N 3.07Å; A312-H315 PolarHBondContact O-N 2.77Å; A312-V316 WeakPolarHBondContact O-CB 3.5Å; A312-V316 WeakPolarHBondContact O-CG2 3.44Å; A312-V316 PolarHBondContact O-N 3.28Å; A312-I322 HydrophobicContact CB-CD1 4.16Å; A312-L449 HydrophobicContact CB-CD1 4.02Å
313D98.1Very high97Very high26 Ų2628.2 Ų28.214%0.13915%0.147CC..Hα-helixtrans-54.2-35.6174.9-177.742.6000113.3A309 L311 H315 I322 N378 R381 W383A309-D313 PolarHBondContact O-N 2.62Å; L311-D313 VanDerWaalsContact C-N 3.31Å; D313-H315 VanDerWaalsContact C-N 3.28Å; D313-H315 PolarHBondContact O-N 3.35Å; D313-I322 HydrophobicContact CB-CD1 4.42Å; D313-N378 PolarHBondContact OD1-ND2 3.16Å; D313-N378 VanDerWaalsContact OD1-ND2 3.09Å; D313-N378 WeakPolarHBondContact OD2-CB 3.17Å; D313-N378 PolarHBondContact OD2-ND2 2.97Å; D313-R381 PolarHBondContact O-NH2 3.08Å; D313-R381 IonicContact OD1-CZ 2.7Å; D313-R381 IonicContact OD1-NE 3.03Å; D313-R381 PolarHBondContact OD1-NE 2.94Å; D313-R381 IonicContact OD1-NH2 4Å; D313-R381 PolarHBondContact OD1-NH2 3.36Å; D313-W383 HydrophobicContact CB-CH2 3.89Å; D313-W383 HydrophobicContact CB-CZ2 3.96Å
314R97.3Very high97.1Very high135 Ų13528 Ų2851%0.50915%0.146SC..Hα-helixtrans-68.8-24.9179.3-62.7178.4-179.5-166-8.4113.9L311 A312 L549L311-R314 WeakPolarHBondContact O-CB 3.37Å; L311-R314 PolarHBondContact O-N 3.28Å; A312-R314 PolarHBondContact O-N 3.07Å; R314-L549 VanDerWaalsContact CZ-CD2 3.43Å
315H97.5Very high97.1Very high58 Ų5827.4 Ų27.427%0.26914%0.143SC..Hα-helixtrans-116.8-21.8-168.5-62.6-57.8000113.5S276 R280 V283 L311 A312 D313S276-H315 PolarHBondContact O-CD2 2.87Å; S276-H315 PolarHBondContact O-NE2 3.38Å; S276-H315 PolarHBondContact OG-NE2 3.07Å; R280-H315 HydrophobicContact CB-CB 4.4Å; R280-H315 HydrophobicContact CG-CB 4.32Å; V283-H315 HydrophobicContact CG2-CB 3.71Å; L311-H315 PolarHBondContact O-CD2 2.88Å; A312-H315 PolarHBondContact O-N 2.77Å; D313-H315 VanDerWaalsContact C-N 3.28Å; D313-H315 PolarHBondContact O-N 3.35Å
316V96.1Very high97.1Very high7 Ų727.4 Ų27.44%0.04214%0.143CC..SBendtrans-79.7131.1170.5175.80000108.4V283 V295 A312 A318 H320 I322 R381V283-V316 HydrophobicContact CB-CG2 4.03Å; V283-V316 HydrophobicContact CG1-CG2 4.08Å; V283-V316 HydrophobicContact CG2-CG2 4.44Å; V295-V316 HydrophobicContact CB-CG2 4.44Å; V295-V316 HydrophobicContact CG2-CG2 4.23Å; A312-V316 WeakPolarHBondContact O-CB 3.5Å; A312-V316 WeakPolarHBondContact O-CG2 3.44Å; A312-V316 PolarHBondContact O-N 3.28Å; V316-A318 PolarHBondContact O-N 2.84Å; V316-H320 HydrophobicContact CG1-CB 3.99Å; V316-I322 HydrophobicContact CB-CD1 4.15Å; V316-I322 HydrophobicContact CB-CG1 4.33Å; V316-I322 HydrophobicContact CG1-CD1 4.49Å; V316-I322 HydrophobicContact CG1-CG1 4.16Å; V316-I322 HydrophobicContact CG2-CD1 4.2Å; V316-I322 HydrophobicContact CG2-CG1 4.33Å; V316-R381 PolarHBondContact O-NH2 3.06Å
317P94.1Very high97.1Very high69 Ų6927.9 Ų27.945%0.44815%0.146SC..  trans-56.8136.7-179-20.429.1000111.6Q319 H320 R381P317-Q319 VanDerWaalsContact CB-OE1 3.27Å; P317-Q319 PolarHBondContact O-N 3.1Å; P317-H320 PolarHBondContact O-N 2.67Å; P317-R381 PolarHBondContact O-NH1 3.29Å
318A92.4Very high97.1Very high68 Ų6827.8 Ų27.856%0.56215%0.145SC*.THydrogen-bonded Turntrans-51.2-35.4-16800000114.8V316 H320 R381V316-A318 PolarHBondContact O-N 2.84Å; A318-H320 VanDerWaalsContact C-N 3.33Å; A318-H320 PolarHBondContact O-N 2.89Å; A318-R381 PolarHBondContact O-NH1 2.95Å
319Q90.8Very high97Very high147 Ų14727.8 Ų27.869%0.68715%0.145SC*.THydrogen-bonded Turntrans-74-17.4-17970.9-83.330.100114.8P317P317-Q319 VanDerWaalsContact CB-OE1 3.27Å; P317-Q319 PolarHBondContact O-N 3.1Å
320H93.8Very high96.7Very high48 Ų4832.5 Ų32.522%0.22216%0.163CC..SBendtrans-88.8134.6-179.4-67.496.1000110.6V316 P317 A318 R381V316-H320 HydrophobicContact CG1-CB 3.99Å; P317-H320 PolarHBondContact O-N 2.67Å; A318-H320 VanDerWaalsContact C-N 3.33Å; A318-H320 PolarHBondContact O-N 2.89Å; H320-R381 PolarHBondContact O-NH1 2.8Å
321P96.5Very high96.1Very high3 Ų335.2 Ų35.22%0.01918%0.176CC..  trans-69.1160.3174.527.1-31.4000112.1A293 R382 N384A293-P321 HydrophobicContact CB-CB 4.45Å; A293-P321 HydrophobicContact CB-CG 4.06Å; A293-P321 VanDerWaalsContact CB-O 3.25Å; A293-P321 WeakPolarHBondContact CB-O 3.28Å; P321-R382 WeakPolarHBondContact CA-O 3.47Å; P321-R382 HydrophobicContact CB-CB 4.06Å; P321-R382 HydrophobicContact CB-CG 3.96Å; P321-R382 WeakPolarHBondContact CB-O 3.46Å; P321-N384 WeakPolarHBondContact CB-ND2 3.33Å
322I98.2Very high94.9Very high0 Ų041.5 Ų41.50%021%0.205CC..EExtended strand (participates in β ladder)trans-116.3128.3166.1-61.3170.9000108.2V297 A312 D313 V316 L324 R382 W383 N384V297-I322 HydrophobicContact CG2-CG2 4.21Å; A312-I322 HydrophobicContact CB-CD1 4.16Å; D313-I322 HydrophobicContact CB-CD1 4.42Å; V316-I322 HydrophobicContact CB-CD1 4.15Å; V316-I322 HydrophobicContact CB-CG1 4.33Å; V316-I322 HydrophobicContact CG1-CD1 4.49Å; V316-I322 HydrophobicContact CG1-CG1 4.16Å; V316-I322 HydrophobicContact CG2-CD1 4.2Å; V316-I322 HydrophobicContact CG2-CG1 4.33Å; I322-L324 HydrophobicContact CG2-CD2 4.33Å; I322-R382 PolarHBondContact N-O 3.48Å; I322-R382 VanDerWaalsContact N-O 3.08Å; I322-W383 HydrophobicContact CB-CE3 3.85Å; I322-W383 HydrophobicContact CB-CZ3 3.71Å; I322-W383 HydrophobicContact CD1-CH2 3.91Å; I322-W383 HydrophobicContact CD1-CZ3 3.78Å; I322-W383 HydrophobicContact CG1-CZ3 4.32Å; I322-W383 HydrophobicContact CG2-CE3 4.11Å; I322-W383 HydrophobicContact CG2-CZ3 3.72Å; I322-N384 PolarHBondContact O-N 3.32Å
323D98.7Very high93.2Very high0 Ų048.8 Ų48.80%024%0.239CC..EExtended strand (participates in β ladder)trans-87.3125.8178.8-68.1-9.2000110.6A293 V295 A296 V297 L325 N384 S443A293-D323 HydrophobicContact CB-CB 4.25Å; A293-D323 VanDerWaalsContact CB-CG 3.41Å; A293-D323 VanDerWaalsContact CB-OD1 3.27Å; A293-D323 WeakPolarHBondContact CB-OD1 3.36Å; V295-D323 PolarHBondContact O-N 2.85Å; A296-D323 CarbonylContact C-O 3.52Å; A296-D323 WeakPolarHBondContact CA-O 3Å; A296-D323 HydrophobicContact CB-CB 3.9Å; V297-D323 PolarHBondContact N-O 2.98Å; D323-L325 HydrophobicContact CB-CD2 4.12Å; D323-N384 VanDerWaalsContact OD1-CB 3.25Å; D323-N384 WeakPolarHBondContact OD1-CB 3.45Å; D323-N384 PolarHBondContact OD1-ND2 2.93Å; D323-S443 WeakPolarHBondContact OD2-CA 3.4Å; D323-S443 WeakPolarHBondContact OD2-CB 3.45Å; D323-S443 PolarHBondContact OD2-OG 3.15Å
324L98.8Very high91.2Very high0 Ų053 Ų530%027%0.268CS..EExtended strand (participates in β ladder)trans-104.9106.9175.4-56.9-178.9000108.7V297 F299 A309 I322 L371 L374 W383 N384 F385 V386V297-L324 HydrophobicContact CB-CD2 4.09Å; V297-L324 HydrophobicContact CG2-CD2 4.3Å; F299-L324 HydrophobicContact CB-CB 3.88Å; F299-L324 HydrophobicContact CB-CD2 4.3Å; F299-L324 HydrophobicContact CD1-CB 3.95Å; F299-L324 HydrophobicContact CD1-CD1 4.13Å; F299-L324 HydrophobicContact CD1-CG 4.48Å; F299-L324 HydrophobicContact CD2-CD1 4.37Å; F299-L324 HydrophobicContact CD2-CD2 3.85Å; F299-L324 HydrophobicContact CD2-CG 4.48Å; F299-L324 HydrophobicContact CE1-CD1 4.01Å; F299-L324 HydrophobicContact CE2-CD1 4.26Å; F299-L324 HydrophobicContact CE2-CD2 4.31Å; F299-L324 HydrophobicContact CG-CB 3.88Å; F299-L324 HydrophobicContact CG-CD1 4.29Å; F299-L324 HydrophobicContact CG-CD2 4.03Å; F299-L324 HydrophobicContact CG-CG 4.29Å; F299-L324 HydrophobicContact CZ-CD1 4.07Å; A309-L324 HydrophobicContact CB-CD2 4.17Å; I322-L324 HydrophobicContact CG2-CD2 4.33Å; L324-L371 HydrophobicContact CD1-CD1 3.99Å; L324-L374 HydrophobicContact CD1-CD1 3.8Å; L324-W383 HydrophobicContact CD1-CB 4.35Å; L324-W383 HydrophobicContact CD1-CD2 4.4Å; L324-W383 HydrophobicContact CD1-CE3 3.87Å; L324-W383 HydrophobicContact CD2-CE3 3.86Å; L324-W383 HydrophobicContact CD2-CZ3 3.96Å; L324-W383 HydrophobicContact CG-CE3 3.92Å; L324-N384 PolarHBondContact N-O 2.79Å; L324-F385 HydrophobicContact CB-CD2 4Å; L324-F385 HydrophobicContact CD1-CD2 4.39Å; L324-V386 PolarHBondContact O-N 3.23Å
325L98.8Very high88.8Confident2 Ų255 Ų551%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-92108.2-173-50.2-176.5000110A296 V297 L298 F299 D323 V386 I388 A425A296-L325 HydrophobicContact CB-CD1 3.77Å; A296-L325 HydrophobicContact CB-CD2 4.4Å; A296-L325 HydrophobicContact CB-CG 3.97Å; V297-L325 PolarHBondContact O-N 2.86Å; L298-L325 HydrophobicContact CD2-CB 4.35Å; L298-L325 HydrophobicContact CD2-CD1 4.3Å; F299-L325 PolarHBondContact N-O 3.32Å; D323-L325 HydrophobicContact CB-CD2 4.12Å; L325-V386 HydrophobicContact CD2-CB 4.01Å; L325-V386 HydrophobicContact CD2-CG2 3.84Å; L325-I388 HydrophobicContact CB-CD1 4.17Å; L325-A425 WeakPolarHBondContact CD1-O 3.35Å
326N98.6Very high86.2Confident2 Ų260 Ų601%0.01131%0.309CS..EExtended strand (participates in β ladder)trans-120.8116.8-177.4-176-82.8000111.1F299 D363 R364 F385 V386 I388F299-N326 WeakPolarHBondContact O-CB 3.27Å; F299-N326 PolarHBondContact O-ND2 3.2Å; N326-D363 PolarHBondContact ND2-O 3.38Å; N326-R364 PolarHBondContact O-NH1 2.97Å; N326-R364 PolarHBondContact O-NH2 3.3Å; N326-R364 WeakPolarHBondContact OD1-CA 3.45Å; N326-R364 PolarHBondContact OD1-NH1 3.08Å; N326-F385 HydrophobicContact CB-CE2 3.67Å; N326-F385 HydrophobicContact CB-CZ 3.66Å; N326-V386 PolarHBondContact N-O 2.87Å; N326-V386 VanDerWaalsContact N-O 3.11Å; N326-I388 PolarHBondContact O-N 2.67Å
327V98.3Very high83.7Confident10 Ų1067.8 Ų67.86%0.06135%0.345CS..EExtended strand (participates in β ladder)trans-98.7136.4-177.768.20000112.1F329 I388 V390 F424 A425V327-F329 HydrophobicContact CG1-CE2 4.34Å; V327-F329 HydrophobicContact CG2-CD2 4.34Å; V327-F329 HydrophobicContact CG2-CE2 3.73Å; V327-F329 HydrophobicContact CG2-CZ 4.13Å; V327-I388 CarbonylContact C-O 3.53Å; V327-I388 WeakPolarHBondContact CA-O 3.42Å; V327-I388 HydrophobicContact CB-CB 4.4Å; V327-I388 HydrophobicContact CG2-CB 4.44Å; V327-I388 HydrophobicContact CG2-CG2 4.11Å; V327-V390 HydrophobicContact CG2-CG2 3.84Å; V327-F424 HydrophobicContact CG2-CB 3.82Å; V327-A425 HydrophobicContact CB-CB 4.03Å; V327-A425 HydrophobicContact CG1-CB 3.96Å
328A97.8Very high81.3Confident0 Ų072 Ų720%036%0.364CS..EExtended strand (participates in β ladder)trans-134.9131.7175.600000110.3F359 V361 R364 I388 N389 V390A328-F359 HydrophobicContact CB-CB 4.14Å; A328-F359 HydrophobicContact CB-CD1 4.26Å; A328-V361 HydrophobicContact CB-CG1 4.36Å; A328-V361 HydrophobicContact CB-CG2 3.5Å; A328-R364 HydrophobicContact CB-CB 4.38Å; A328-I388 PolarHBondContact N-O 2.81Å; A328-N389 WeakPolarHBondContact O-CA 3.42Å; A328-V390 PolarHBondContact O-N 2.95Å
329F96.5Very high78.9Confident0 Ų078.3 Ų78.30%038%0.378CS..EExtended strand (participates in β ladder)trans-99.6133.3176.3-69.6-92000109.8V327 L331 V361 V390 L395 A421 F424 S566 V568 M571V327-F329 HydrophobicContact CG1-CE2 4.34Å; V327-F329 HydrophobicContact CG2-CD2 4.34Å; V327-F329 HydrophobicContact CG2-CE2 3.73Å; V327-F329 HydrophobicContact CG2-CZ 4.13Å; F329-L331 PolarHBondContact O-N 3.05Å; F329-V361 WeakPolarHBondContact O-CG1 3.29Å; F329-V390 HydrophobicContact CD1-CB 3.74Å; F329-V390 HydrophobicContact CD1-CG1 3.81Å; F329-V390 HydrophobicContact CD1-CG2 4.45Å; F329-V390 HydrophobicContact CE1-CB 3.83Å; F329-V390 HydrophobicContact CE1-CG1 3.65Å; F329-V390 HydrophobicContact CE1-CG2 4.18Å; F329-V390 HydrophobicContact CG-CB 4.4Å; F329-V390 HydrophobicContact CZ-CG2 4.44Å; F329-L395 HydrophobicContact CD1-CD2 4.13Å; F329-L395 HydrophobicContact CE1-CD1 4.07Å; F329-L395 HydrophobicContact CE1-CD2 4.14Å; F329-L395 HydrophobicContact CE1-CG 4.48Å; F329-A421 HydrophobicContact CE2-CB 4.16Å; F329-F424 HydrophobicContact CE1-CD2 4.03Å; F329-F424 HydrophobicContact CE1-CE2 4.42Å; F329-F424 HydrophobicContact CZ-CB 4.47Å; F329-F424 HydrophobicContact CZ-CD2 4.02Å; F329-S566 WeakPolarHBondContact CB-O 3.28Å; F329-S566 PolarHBondContact N-O 3.48Å; F329-V568 HydrophobicContact CD1-CB 4.22Å; F329-V568 HydrophobicContact CD1-CG2 4.21Å; F329-V568 HydrophobicContact CD2-CB 3.62Å; F329-V568 HydrophobicContact CD2-CG2 4.39Å; F329-V568 HydrophobicContact CE1-CB 4.23Å; F329-V568 HydrophobicContact CE1-CG2 3.96Å; F329-V568 HydrophobicContact CE2-CB 3.65Å; F329-V568 HydrophobicContact CE2-CG1 4.46Å; F329-V568 HydrophobicContact CE2-CG2 4.16Å; F329-V568 HydrophobicContact CG-CB 3.92Å; F329-V568 HydrophobicContact CG-CG2 4.41Å; F329-V568 HydrophobicContact CZ-CB 3.96Å; F329-V568 HydrophobicContact CZ-CG2 3.93Å; F329-M571 HydrophobicContact CB-CG 4.39Å; F329-M571 HydrophobicContact CB-SD 3.55Å; F329-M571 VanDerWaalsContact CB-SD 3.55Å; F329-M571 HydrophobicContact CD1-SD 3.52Å; F329-M571 VanDerWaalsContact CD1-SD 3.52Å; F329-M571 HydrophobicContact CG-SD 3.9Å
330R93.6Very high76.4Confident99 Ų9980.8 Ų80.837%0.37439%0.387SS..PPolyproline II helixtrans-55.8128.2-172.6-164.8178.6176.5169.6-0.9111.5Q332 P358 F359 V390R330-Q332 PolarHBondContact O-N 3.21Å; R330-P358 HydrophobicContact CG-CB 3.95Å; R330-P358 HydrophobicContact CG-CG 4.44Å; R330-F359 HydrophobicContact CB-CD1 4.27Å; R330-F359 HydrophobicContact CB-CE1 3.53Å; R330-F359 HydrophobicContact CB-CZ 3.83Å; R330-F359 HydrophobicContact CG-CE1 4.04Å; R330-F359 HydrophobicContact CG-CE2 4.44Å; R330-F359 HydrophobicContact CG-CZ 3.89Å; R330-V390 PolarHBondContact N-O 3.42Å
331L84.8Confident73.7Confident65 Ų6589.4 Ų89.434%0.3442%0.417SS..PPolyproline II helixtrans-66.4131.3171.4-64.9173.4000109.7F329 E333 P358 V361 R567F329-L331 PolarHBondContact O-N 3.05Å; L331-E333 PolarHBondContact O-N 3.33Å; L331-P358 WeakPolarHBondContact CB-O 3.4Å; L331-P358 WeakPolarHBondContact CG-O 3.42Å; L331-P358 PolarHBondContact N-O 3.09Å; L331-V361 HydrophobicContact CD2-CG1 4.19Å; L331-V361 HydrophobicContact CG-CG1 4.17Å; L331-R567 HydrophobicContact CD2-CB 4.33Å; L331-R567 HydrophobicContact CD2-CG 3.89Å
332Q72.9Confident70.8Confident133 Ų13397 Ų9762%0.62146%0.458SS*.PPolyproline II helixtrans-65.8131.2168.9-69.2-177.2-1.300109.1R330R330-Q332 PolarHBondContact O-N 3.21Å
333E64.5Low68.1Low152 Ų152105.2 Ų105.271%0.7149%0.494SS*.PPolyproline II helixtrans-60.7137.5172.7-68.6-173.7-18000109.5L331 K335L331-E333 PolarHBondContact O-N 3.33Å; E333-K335 PolarHBondContact O-N 2.88Å
334P56.6Low65.4Low114 Ų114112.4 Ų112.474%0.7453%0.532SS*.  trans-59.2115.8173.622.9-29.4000108.1N336P334-N336 PolarHBondContact O-N 3.4Å
335K46.8Very low62.2Low179 Ų179118 Ų11878%0.77857%0.571SS**  trans-54115.5166.3-69.1-174.8179.2-177.40106.3E333 H337E333-K335 PolarHBondContact O-N 2.88Å; K335-H337 PolarHBondContact O-N 3.48Å
336N41.6Very low59.4Low162 Ų162123.8 Ų123.887%0.86661%0.609SS**  trans-58.787.6176.3-87.8-27.1000109.2P334 N338P334-N336 PolarHBondContact O-N 3.4Å; N336-N338 PolarHBondContact O-N 2.91Å; N336-N338 VanDerWaalsContact O-N 3.11Å
337H43.1Very low56.9Low170 Ų170129.4 Ų129.479%0.78765%0.648SS**  trans-72.8102.3164.4-82.7-65.1000107.2K335 K339K335-H337 PolarHBondContact O-N 3.48Å; H337-K339 PolarHBondContact O-N 3.31Å; H337-K339 VanDerWaalsContact O-N 3.16Å
338N44.8Very low53.9Low158 Ų158134.2 Ų134.285%0.84568%0.682SS**  trans21.778.9162.5-78.6-11.7000116N336 K340N336-N338 PolarHBondContact O-N 2.91Å; N336-N338 VanDerWaalsContact O-N 3.11Å; N338-K340 PolarHBondContact O-N 3.46Å; N338-K340 VanDerWaalsContact O-N 3.17Å
339K41Very low50.9Low201 Ų201141 Ų14187%0.87472%0.719SS**  trans-72.1102.2150.2-85.5-174.4176.4-179.70107.3H337 R341H337-K339 PolarHBondContact O-N 3.31Å; H337-K339 VanDerWaalsContact O-N 3.16Å; K339-R341 PolarHBondContact O-N 3.48Å; K339-R341 VanDerWaalsContact O-N 3.09Å
340K39.9Very low48.1Very low199 Ų199149.6 Ų149.687%0.86576%0.763SS**  trans-48.8117.3158.8-87.3180172.8178.60107.2N338 N342N338-K340 PolarHBondContact O-N 3.46Å; N338-K340 VanDerWaalsContact O-N 3.17Å; K340-N342 PolarHBondContact O-N 3.32Å
341R35.8Very low45.5Very low229 Ų229150.8 Ų150.886%0.86478%0.782SS**  trans-63.9100.3171.1-74.6167.591.8173.86.9107.4K339 K343K339-R341 PolarHBondContact O-N 3.48Å; K339-R341 VanDerWaalsContact O-N 3.09Å; R341-K343 PolarHBondContact O-N 3.49Å
342N35.1Very low43.4Very low162 Ų162151.9 Ų151.987%0.86680%0.801SS**  trans-76.4107.8150.5-95.96.3000106.2K340 D344K340-N342 PolarHBondContact O-N 3.32Å; N342-D344 PolarHBondContact O-N 3.23Å
343K43Very low41.9Very low173 Ų173157 Ų15775%0.75281%0.814SS**  trans-65117.5157.3-90.7179.5170.4-179.10105.9R341R341-K343 PolarHBondContact O-N 3.49Å
344D42Very low41.1Very low150 Ų150159.6 Ų159.680%0.80282%0.818SS**  trans155.391.7137.6-73-16.7000110N342N342-D344 PolarHBondContact O-N 3.23Å
345S30.4Very low41.1Very low119 Ų119160.5 Ų160.583%0.83282%0.821SS**  trans-168.5133.1147.710.70000108.9
346P39.6Very low42.6Very low123 Ų123159.5 Ų159.580%0.79982%0.817SS**  trans-77.3153.3-172.232-33.4000112.1
347S46.3Very low44.8Very low119 Ų119153.9 Ų153.983%0.83279%0.79SS**  trans-47.4124.1177.952.40000114.9
348S36.9Very low47.1Very low111 Ų111148.1 Ų148.178%0.77677%0.768SS**  trans-144.6139146.4510000109.9
349D33.6Very low49.5Very low144 Ų144141.8 Ų141.877%0.7773%0.733SS**  trans76.181.3175.4-67.3-7.5000120.1T351D349-T351 VanDerWaalsContact C-N 3.27Å; D349-T351 PolarHBondContact O-N 2.95Å
350L38.1Very low52.1Low179 Ų179133.9 Ų133.994%0.93770%0.7SS**SBendtrans-81.514.6162.9-83.5157.7000114
351T39.5Very low54.7Low124 Ų124124.4 Ų124.476%0.76166%0.659SS**SBendtrans-124.218.7-167.847.10000116.5D349D349-T351 VanDerWaalsContact C-N 3.27Å; D349-T351 PolarHBondContact O-N 2.95Å
352A39.3Very low57.5Low89 Ų89114.6 Ų114.674%0.73663%0.625SS**  trans-145.743.2171.600000114.3R354A352-R354 PolarHBondContact O-N 3.48Å
353R42.3Very low60.5Low239 Ų239107.4 Ų107.490%0.90259%0.587SS**  trans-73.184.5158.1-88.9-177.8162.7-172.8-4.3107.9T355R353-T355 VanDerWaalsContact C-N 3.33Å; R353-T355 PolarHBondContact O-N 3.44Å
354R46.7Very low63Low208 Ų20899.2 Ų99.279%0.78555%0.551SS**  trans-52.5103.5162-137.6175.5171.8175.6-3.3105.7A352 F356A352-R354 PolarHBondContact O-N 3.48Å; R354-F356 HydrophobicContact CB-CD2 4.49Å; R354-F356 HydrophobicContact CB-CE2 4.18Å; R354-F356 VanDerWaalsContact O-CD2 3.28Å; R354-F356 WeakPolarHBondContact O-CD2 3.19Å; R354-F356 PolarHBondContact O-N 2.92Å
355T58.3Low65.6Low133 Ų13396.1 Ų96.182%0.81653%0.534SS*.  trans-69.686.2-178.645.60000107.3R353 S357R353-T355 VanDerWaalsContact C-N 3.33Å; R353-T355 PolarHBondContact O-N 3.44Å; T355-S357 PolarHBondContact O-N 2.91Å
356F77.4Confident68.8Low158 Ų15891.8 Ų91.869%0.69350%0.503SS*.  trans-58.8121.3174.3-78.5-84.9000108.2R354R354-F356 HydrophobicContact CB-CD2 4.49Å; R354-F356 HydrophobicContact CB-CE2 4.18Å; R354-F356 VanDerWaalsContact O-CD2 3.28Å; R354-F356 WeakPolarHBondContact O-CD2 3.19Å; R354-F356 PolarHBondContact O-N 2.92Å
357S87.8Confident71.6Confident43 Ų4386 Ų8630%0.30147%0.465SS..  trans-66.4140.3172.6172.70000108.2T355 F359 D360T355-S357 PolarHBondContact O-N 2.91Å; S357-F359 PolarHBondContact O-N 3Å; S357-F359 PolarHBondContact OG-N 3.38Å; S357-D360 PolarHBondContact N-OD2 3.27Å; S357-D360 WeakPolarHBondContact O-CB 3.19Å; S357-D360 PolarHBondContact O-N 3.29Å
358P92.2Very high74Confident49 Ų4984 Ų8432%0.31844%0.439SS..THydrogen-bonded Turntrans-65-4.3175.229.8-36.6000112.9R330 L331R330-P358 HydrophobicContact CG-CB 3.95Å; R330-P358 HydrophobicContact CG-CG 4.44Å; L331-P358 WeakPolarHBondContact CB-O 3.4Å; L331-P358 WeakPolarHBondContact CG-O 3.42Å; L331-P358 PolarHBondContact N-O 3.09Å
359F94.6Very high76.9Confident26 Ų2681.7 Ų81.711%0.11443%0.426CS..THydrogen-bonded Turntrans-1077.7175.1-60.2-78.2000113.7A328 R330 S357 V361 R364 N389A328-F359 HydrophobicContact CB-CB 4.14Å; A328-F359 HydrophobicContact CB-CD1 4.26Å; R330-F359 HydrophobicContact CB-CD1 4.27Å; R330-F359 HydrophobicContact CB-CE1 3.53Å; R330-F359 HydrophobicContact CB-CZ 3.83Å; R330-F359 HydrophobicContact CG-CE1 4.04Å; R330-F359 HydrophobicContact CG-CE2 4.44Å; R330-F359 HydrophobicContact CG-CZ 3.89Å; S357-F359 PolarHBondContact O-N 3Å; S357-F359 PolarHBondContact OG-N 3.38Å; F359-V361 PolarHBondContact O-N 3.08Å; F359-R364 WeakPolarHBondContact O-CB 3.33Å; F359-R364 WeakPolarHBondContact O-CG 3.4Å; F359-N389 WeakPolarHBondContact CB-OD1 3.49Å; F359-N389 HydrophobicContact CD1-CB 3.63Å; F359-N389 HydrophobicContact CD2-CB 3.98Å; F359-N389 HydrophobicContact CE1-CB 3.6Å; F359-N389 HydrophobicContact CE2-CB 3.96Å; F359-N389 HydrophobicContact CG-CB 3.82Å; F359-N389 HydrophobicContact CZ-CB 3.78Å
360D94.4Very high79.9Confident34 Ų3475 Ų7518%0.18239%0.391CS..  trans-73.357172.1-71-24.1000111S357 L365 R368S357-D360 PolarHBondContact N-OD2 3.27Å; S357-D360 WeakPolarHBondContact O-CB 3.19Å; S357-D360 PolarHBondContact O-N 3.29Å; D360-L365 HydrophobicContact CB-CD2 3.99Å; D360-L365 HydrophobicContact CB-CG 4.36Å; D360-R368 IonicContact OD1-CZ 3.71Å; D360-R368 IonicContact OD1-NH1 3.4Å; D360-R368 PolarHBondContact OD1-NH1 3.28Å; D360-R368 IonicContact OD1-NH2 3.58Å
361V95.1Very high82.8Confident0 Ų066.9 Ų66.90%035%0.348CS..  trans-77.4159.8175.6-55.30000110.3A328 F329 L331 F359 D363 R364 L365 G565 R567A328-V361 HydrophobicContact CB-CG1 4.36Å; A328-V361 HydrophobicContact CB-CG2 3.5Å; F329-V361 WeakPolarHBondContact O-CG1 3.29Å; L331-V361 HydrophobicContact CD2-CG1 4.19Å; L331-V361 HydrophobicContact CG-CG1 4.17Å; F359-V361 PolarHBondContact O-N 3.08Å; V361-D363 VanDerWaalsContact C-N 3.31Å; V361-D363 PolarHBondContact O-N 2.9Å; V361-R364 HydrophobicContact CG2-CB 3.77Å; V361-R364 WeakPolarHBondContact O-CB 3.26Å; V361-R364 PolarHBondContact O-N 3.43Å; V361-L365 PolarHBondContact O-N 3.38Å; V361-G565 WeakPolarHBondContact CG2-O 3.36Å; V361-R567 HydrophobicContact CB-CB 4.45Å; V361-R567 HydrophobicContact CB-CG 3.7Å; V361-R567 HydrophobicContact CG1-CB 3.97Å; V361-R567 HydrophobicContact CG1-CG 3.57Å
362P95.7Very high85.5Confident24 Ų2466.1 Ų66.116%0.15634%0.336CS..Hα-helixtrans-54.9-40-174.5-27.434.1000115.1T366 G565P362-T366 WeakPolarHBondContact O-CB 3.18Å; P362-T366 PolarHBondContact O-N 2.85Å; P362-T366 PolarHBondContact O-OG1 2.65Å; P362-G565 WeakPolarHBondContact CD-O 3.5Å
363D96.4Very high88.3Confident11 Ų1163.5 Ų63.56%0.05931%0.309CS..Hα-helixtrans-75.8-26.9179.1-71.12.8000112.9N326 V361 G367 R560 G565 S566N326-D363 PolarHBondContact ND2-O 3.38Å; V361-D363 VanDerWaalsContact C-N 3.31Å; V361-D363 PolarHBondContact O-N 2.9Å; D363-G367 PolarHBondContact O-N 3.29Å; D363-R560 IonicContact OD1-NH1 2.68Å; D363-G565 PolarHBondContact N-O 2.89Å; D363-G565 WeakPolarHBondContact OD1-CA 3.26Å; D363-G565 VanDerWaalsContact OD2-C 3.27Å; D363-G565 VanDerWaalsContact OD2-CA 3.25Å; D363-G565 WeakPolarHBondContact OD2-CA 3.39Å; D363-S566 PolarHBondContact OD2-N 2.94Å
364R97Very high91Very high0 Ų052.2 Ų52.20%027%0.266CS..Hα-helixtrans-65.3-49.6171.5173.466.870.1-150.1-8110.6N326 A328 F359 V361 G367 R368 E387 I388 N389N326-R364 PolarHBondContact O-NH1 2.97Å; N326-R364 PolarHBondContact O-NH2 3.3Å; N326-R364 WeakPolarHBondContact OD1-CA 3.45Å; N326-R364 PolarHBondContact OD1-NH1 3.08Å; A328-R364 HydrophobicContact CB-CB 4.38Å; F359-R364 WeakPolarHBondContact O-CB 3.33Å; F359-R364 WeakPolarHBondContact O-CG 3.4Å; V361-R364 HydrophobicContact CG2-CB 3.77Å; V361-R364 WeakPolarHBondContact O-CB 3.26Å; V361-R364 PolarHBondContact O-N 3.43Å; R364-G367 PolarHBondContact O-N 2.81Å; R364-R368 WeakPolarHBondContact O-CG 3.36Å; R364-R368 PolarHBondContact O-N 2.85Å; R364-E387 VanDerWaalsContact CZ-CB 3.44Å; R364-E387 IonicContact NE-OE2 3.49Å; R364-E387 VanDerWaalsContact NH1-CB 3.32Å; R364-E387 VanDerWaalsContact NH1-CG 3.25Å; R364-E387 IonicContact NH1-OE1 3.72Å; R364-E387 VanDerWaalsContact NH2-CA 3.34Å; R364-I388 VanDerWaalsContact NH2-N 3.17Å; R364-I388 PolarHBondContact NH2-O 2.98Å; R364-N389 PolarHBondContact NH2-OD1 2.84Å; R364-N389 VanDerWaalsContact NH2-OD1 3.1Å
365L96.7Very high93.4Very high86 Ų8647 Ų4745%0.4525%0.247SC..Hα-helixtrans-63.6-43.5-179.9-64.1177.7000111.2D360 V361 A369D360-L365 HydrophobicContact CB-CD2 3.99Å; D360-L365 HydrophobicContact CB-CG 4.36Å; V361-L365 PolarHBondContact O-N 3.38Å; L365-A369 PolarHBondContact O-N 3.1Å; L365-A369 VanDerWaalsContact O-N 3.13Å
366T96.8Very high95.2Very high28 Ų2843.7 Ų43.717%0.17224%0.238CC..Hα-helixtrans-63.2-45.2175.6-53.20000110.7P362 A369 S370 L557P362-T366 WeakPolarHBondContact O-CB 3.18Å; P362-T366 PolarHBondContact O-N 2.85Å; P362-T366 PolarHBondContact O-OG1 2.65Å; T366-A369 PolarHBondContact O-N 3.39Å; T366-S370 VanDerWaalsContact O-CB 3.23Å; T366-S370 WeakPolarHBondContact O-CB 3.26Å; T366-S370 PolarHBondContact O-N 2.84Å; T366-S370 PolarHBondContact O-OG 3.43Å; T366-L557 HydrophobicContact CG2-CD1 3.47Å; T366-L557 VanDerWaalsContact CG2-CD1 3.47Å
367G97.6Very high96.1Very high0 Ų039.6 Ų39.60%022%0.223CC..Hα-helixtrans-58.8-46.7177.300000113.3S300 D363 R364 S370 L371S300-G367 PolarHBondContact O-N 3.45Å; D363-G367 PolarHBondContact O-N 3.29Å; R364-G367 PolarHBondContact O-N 2.81Å; G367-S370 PolarHBondContact O-N 3.25Å; G367-L371 PolarHBondContact O-N 2.93Å
368R97.6Very high96.5Very high79 Ų7939.4 Ų39.430%0.29822%0.219SC..Hα-helixtrans-61.8-44.7176.3-71.2179.1-174.9147.82.4112.2D360 R364 S370 L371 E372 F385 E387D360-R368 IonicContact OD1-CZ 3.71Å; D360-R368 IonicContact OD1-NH1 3.4Å; D360-R368 PolarHBondContact OD1-NH1 3.28Å; D360-R368 IonicContact OD1-NH2 3.58Å; R364-R368 WeakPolarHBondContact O-CG 3.36Å; R364-R368 PolarHBondContact O-N 2.85Å; R368-S370 VanDerWaalsContact C-N 3.27Å; R368-S370 PolarHBondContact O-N 3.49Å; R368-L371 WeakPolarHBondContact O-CB 3.1Å; R368-L371 PolarHBondContact O-N 3.11Å; R368-E372 PolarHBondContact O-N 3.31Å; R368-F385 HydrophobicContact CG-CD1 4.49Å; R368-F385 HydrophobicContact CG-CE1 3.69Å; R368-F385 HydrophobicContact CG-CZ 4.14Å; R368-E387 IonicContact CZ-OE1 3.32Å; R368-E387 VanDerWaalsContact CZ-OE1 3.27Å; R368-E387 IonicContact CZ-OE2 2.68Å; R368-E387 IonicContact NE-OE1 2.56Å; R368-E387 PolarHBondContact NE-OE1 2.8Å; R368-E387 IonicContact NE-OE2 3.07Å; R368-E387 VanDerWaalsContact NH2-CD 3.31Å; R368-E387 IonicContact NH2-OE1 2.97Å; R368-E387 PolarHBondContact NH2-OE1 2.93Å; R368-E387 IonicContact NH2-OE2 2.83Å; R368-E387 PolarHBondContact NH2-OE2 2.93Å
369A97Very high96.7Very high61 Ų6142 Ų4250%0.50424%0.236SC..Hα-helixtrans-64.1-35.7176.900000112.3L365 T366 E372 E373L365-A369 PolarHBondContact O-N 3.1Å; L365-A369 VanDerWaalsContact O-N 3.13Å; T366-A369 PolarHBondContact O-N 3.39Å; A369-E372 PolarHBondContact O-N 3.41Å; A369-E373 PolarHBondContact O-N 3.14Å
370S97.7Very high96.7Very high3 Ų348.7 Ų48.72%0.02127%0.268CS..Hα-helixtrans-74.6-31.2179.6-59.40000112.7G301 M306 T366 G367 R368 E372 E373 L374G301-S370 VanDerWaalsContact CA-OG 3.31Å; G301-S370 WeakPolarHBondContact CA-OG 3.39Å; G301-S370 PolarHBondContact O-OG 3.05Å; G301-S370 VanDerWaalsContact O-OG 3.11Å; M306-S370 WeakPolarHBondContact CE-O 3.32Å; M306-S370 VanDerWaalsContact SD-CB 3.55Å; T366-S370 VanDerWaalsContact O-CB 3.23Å; T366-S370 WeakPolarHBondContact O-CB 3.26Å; T366-S370 PolarHBondContact O-N 2.84Å; T366-S370 PolarHBondContact O-OG 3.43Å; G367-S370 PolarHBondContact O-N 3.25Å; R368-S370 VanDerWaalsContact C-N 3.27Å; R368-S370 PolarHBondContact O-N 3.49Å; S370-E372 VanDerWaalsContact C-N 3.33Å; S370-E373 WeakPolarHBondContact O-CB 3.12Å; S370-E373 PolarHBondContact O-N 2.83Å; S370-L374 PolarHBondContact O-N 2.86Å
371L97.9Very high96.8Very high9 Ų947.7 Ų47.75%0.04726%0.261CS..Hα-helixtrans-59.7-43.2170.117266.8000111.4L324 G367 R368 E373 L374 R375 W383 F385L324-L371 HydrophobicContact CD1-CD1 3.99Å; G367-L371 PolarHBondContact O-N 2.93Å; R368-L371 WeakPolarHBondContact O-CB 3.1Å; R368-L371 PolarHBondContact O-N 3.11Å; L371-E373 VanDerWaalsContact C-N 3.28Å; L371-E373 PolarHBondContact O-N 2.69Å; L371-L374 PolarHBondContact O-N 3Å; L371-R375 HydrophobicContact CD1-CG 4.43Å; L371-R375 WeakPolarHBondContact O-CG 3.42Å; L371-R375 PolarHBondContact O-N 2.71Å; L371-W383 HydrophobicContact CD1-CB 3.51Å; L371-W383 HydrophobicContact CD1-CG 4.11Å; L371-F385 HydrophobicContact CD1-CB 4.25Å; L371-F385 HydrophobicContact CD2-CB 3.55Å; L371-F385 HydrophobicContact CD2-CD1 4.37Å; L371-F385 HydrophobicContact CD2-CD2 4.48Å; L371-F385 HydrophobicContact CD2-CG 3.92Å; L371-F385 HydrophobicContact CG-CB 4.43Å
372E97.6Very high96.9Very high109 Ų10953.3 Ų53.351%0.50928%0.283SS..Hα-helixtrans-63.4-36.1176.2-63.4-52.3130.800112R368 A369 S370 R375 G376R368-E372 PolarHBondContact O-N 3.31Å; A369-E372 PolarHBondContact O-N 3.41Å; S370-E372 VanDerWaalsContact C-N 3.33Å; E372-R375 PolarHBondContact O-N 2.96Å; E372-R375 IonicContact OE1-CZ 2.73Å; E372-R375 IonicContact OE1-NH1 3.69Å; E372-R375 PolarHBondContact OE1-NH1 2.53Å; E372-G376 PolarHBondContact O-N 3.42Å
373E97.4Very high96.9Very high34 Ų3452.8 Ų52.816%0.15928%0.277CS..Hα-helixtrans-64.7-43.3173.3-173.6170.3-137.500111.8M306 A369 S370 L371 G376 L377 L551 G552 R553 S554M306-E373 HydrophobicContact CE-CB 4.05Å; M306-E373 HydrophobicContact CE-CG 4.13Å; M306-E373 VanDerWaalsContact CE-OE2 3.25Å; M306-E373 WeakPolarHBondContact CE-OE2 3.49Å; A369-E373 PolarHBondContact O-N 3.14Å; S370-E373 WeakPolarHBondContact O-CB 3.12Å; S370-E373 PolarHBondContact O-N 2.83Å; L371-E373 VanDerWaalsContact C-N 3.28Å; L371-E373 PolarHBondContact O-N 2.69Å; E373-G376 PolarHBondContact O-N 2.97Å; E373-L377 PolarHBondContact O-N 3.05Å; E373-L377 VanDerWaalsContact O-N 3.08Å; E373-L551 HydrophobicContact CG-CD2 4.08Å; E373-G552 PolarHBondContact OE1-N 2.85Å; E373-R553 PolarHBondContact OE1-N 3.31Å; E373-S554 WeakPolarHBondContact OE2-CB 3.29Å; E373-S554 PolarHBondContact OE2-N 3.34Å; E373-S554 PolarHBondContact OE2-OG 3.14Å
374L98.2Very high97Very high2 Ų252.7 Ų52.71%0.0128%0.277CS..Hα-helixtrans-63.4-40.7174.8-70.1173.4000112.7F299 M306 A309 A310 L324 S370 L371 G376 L377 N378 W383F299-L374 HydrophobicContact CE2-CD1 3.85Å; F299-L374 HydrophobicContact CZ-CD1 3.85Å; M306-L374 HydrophobicContact CE-CD2 4.15Å; M306-L374 HydrophobicContact CE-CG 3.96Å; M306-L374 HydrophobicContact SD-CD1 3.99Å; M306-L374 HydrophobicContact SD-CD2 4.15Å; M306-L374 HydrophobicContact SD-CG 3.89Å; A309-L374 HydrophobicContact CB-CD1 3.78Å; A309-L374 HydrophobicContact CB-CD2 4.08Å; A310-L374 HydrophobicContact CB-CD2 4.33Å; L324-L374 HydrophobicContact CD1-CD1 3.8Å; S370-L374 PolarHBondContact O-N 2.86Å; L371-L374 PolarHBondContact O-N 3Å; L374-G376 VanDerWaalsContact C-N 3.29Å; L374-G376 PolarHBondContact O-N 3.37Å; L374-L377 PolarHBondContact O-N 2.97Å; L374-N378 PolarHBondContact O-N 3.08Å; L374-W383 HydrophobicContact CB-CD2 4.43Å; L374-W383 HydrophobicContact CB-CZ2 4.12Å; L374-W383 HydrophobicContact CD1-CD2 4.37Å; L374-W383 HydrophobicContact CD1-CE3 4.3Å; L374-W383 HydrophobicContact CD1-CH2 4.32Å; L374-W383 HydrophobicContact CD1-CZ2 4.4Å; L374-W383 HydrophobicContact CD1-CZ3 4.27Å; L374-W383 HydrophobicContact CD2-CH2 4.41Å; L374-W383 HydrophobicContact CD2-CZ2 4.28Å
375R97.3Very high97.1Very high99 Ų9953.2 Ų53.237%0.37428%0.279SS..Hα-helixtrans-62.8-37174.2-74.3171.6169.7166.9-7111.8L371 E372 L377 N378 P379L371-R375 HydrophobicContact CD1-CG 4.43Å; L371-R375 WeakPolarHBondContact O-CG 3.42Å; L371-R375 PolarHBondContact O-N 2.71Å; E372-R375 PolarHBondContact O-N 2.96Å; E372-R375 IonicContact OE1-CZ 2.73Å; E372-R375 IonicContact OE1-NH1 3.69Å; E372-R375 PolarHBondContact OE1-NH1 2.53Å; R375-L377 VanDerWaalsContact C-N 3.34Å; R375-N378 CarbonylContact O-C 3.47Å; R375-N378 VanDerWaalsContact O-C 3.27Å; R375-P379 WeakPolarHBondContact O-CA 3.12Å
376G96.9Very high97.2Very high62 Ų6249.1 Ų49.164%0.63926%0.258SS*.Hα-helixtrans-65.5-34.4173.800000113.3E372 E373 L374E372-G376 PolarHBondContact O-N 3.42Å; E373-G376 PolarHBondContact O-N 2.97Å; L374-G376 VanDerWaalsContact C-N 3.29Å; L374-G376 PolarHBondContact O-N 3.37Å
377L96.3Very high97.2Very high72 Ų7248.3 Ų48.338%0.37725%0.252SS..Hα-helixtrans-72.9-40.5176.3-73.1179.2000113.1E373 L374 R375 L551E373-L377 PolarHBondContact O-N 3.05Å; E373-L377 VanDerWaalsContact O-N 3.08Å; L374-L377 PolarHBondContact O-N 2.97Å; R375-L377 VanDerWaalsContact C-N 3.34Å; L377-L551 HydrophobicContact CD1-CD2 3.47Å; L377-L551 VanDerWaalsContact CD1-CD2 3.47Å; L377-L551 HydrophobicContact CD1-CG 4.19Å
378N96.4Very high97.3Very high39 Ų3948.3 Ų48.321%0.20925%0.252CS..  trans-143.397177.1-173.5-3.5000110.8D313 L374 R375 E380 R381D313-N378 PolarHBondContact OD1-ND2 3.16Å; D313-N378 VanDerWaalsContact OD1-ND2 3.09Å; D313-N378 WeakPolarHBondContact OD2-CB 3.17Å; D313-N378 PolarHBondContact OD2-ND2 2.97Å; L374-N378 PolarHBondContact O-N 3.08Å; R375-N378 CarbonylContact O-C 3.47Å; R375-N378 VanDerWaalsContact O-C 3.27Å; N378-E380 VanDerWaalsContact C-N 3.27Å; N378-E380 PolarHBondContact O-N 3.35Å; N378-E380 PolarHBondContact OD1-N 3.15Å; N378-R381 HydrophobicContact CB-CB 4.32Å; N378-R381 PolarHBondContact O-N 3.42Å; N378-R381 PolarHBondContact OD1-N 3.09Å
379P95.5Very high97.3Very high104 Ų10446.5 Ų46.568%0.67525%0.248SC*.THydrogen-bonded Turntrans-65.9-26.2179.8-23.534.5000114.1R375R375-P379 WeakPolarHBondContact O-CA 3.12Å
380E95.1Very high97.3Very high167 Ų16743.6 Ų43.678%0.7822%0.224SC*.THydrogen-bonded Turntrans-78.6-21.2-176.8-60.1-58.3135.700112.4N378 R382N378-E380 VanDerWaalsContact C-N 3.27Å; N378-E380 PolarHBondContact O-N 3.35Å; N378-E380 PolarHBondContact OD1-N 3.15Å; E380-R382 PolarHBondContact O-N 3.26Å
381R96.6Very high97.2Very high12 Ų1245.3 Ų45.35%0.04524%0.235CC..SBendtrans-72123.5179.2177.960.963.6-1762110.6D313 V316 P317 A318 H320 N378 W383D313-R381 PolarHBondContact O-NH2 3.08Å; D313-R381 IonicContact OD1-CZ 2.7Å; D313-R381 IonicContact OD1-NE 3.03Å; D313-R381 PolarHBondContact OD1-NE 2.94Å; D313-R381 IonicContact OD1-NH2 4Å; D313-R381 PolarHBondContact OD1-NH2 3.36Å; V316-R381 PolarHBondContact O-NH2 3.06Å; P317-R381 PolarHBondContact O-NH1 3.29Å; A318-R381 PolarHBondContact O-NH1 2.95Å; H320-R381 PolarHBondContact O-NH1 2.8Å; N378-R381 HydrophobicContact CB-CB 4.32Å; N378-R381 PolarHBondContact O-N 3.42Å; N378-R381 PolarHBondContact OD1-N 3.09Å; R381-W383 HydrophobicContact CB-CZ2 4.3Å; R381-W383 HydrophobicContact CG-CD2 3.74Å; R381-W383 HydrophobicContact CG-CE3 4.36Å; R381-W383 HydrophobicContact CG-CG 4.08Å; R381-W383 HydrophobicContact CG-CH2 4.32Å; R381-W383 HydrophobicContact CG-CZ2 3.68Å; R381-W383 VanDerWaalsContact O-CD1 3.25Å; R381-W383 PolarHBondContact O-N 3.47Å
382R96.3Very high96.9Very high119 Ų11947.1 Ų47.145%0.44925%0.247SC..  trans-73.8106.2164-175.1176.8173.1173.711111.1P321 I322 E380 N384P321-R382 WeakPolarHBondContact CA-O 3.47Å; P321-R382 HydrophobicContact CB-CB 4.06Å; P321-R382 HydrophobicContact CB-CG 3.96Å; P321-R382 WeakPolarHBondContact CB-O 3.46Å; I322-R382 PolarHBondContact N-O 3.48Å; I322-R382 VanDerWaalsContact N-O 3.08Å; E380-R382 PolarHBondContact O-N 3.26Å; R382-N384 PolarHBondContact NE-OD1 2.76Å
383W97.4Very high96.8Very high12 Ų1247.8 Ų47.85%0.04525%0.25CS..EExtended strand (participates in β ladder)trans-95.3113.3170-60.5101000110.5A309 D313 I322 L324 L371 L374 R381 F385A309-W383 HydrophobicContact CB-CH2 4.17Å; A309-W383 HydrophobicContact CB-CZ3 4.05Å; A309-W383 WeakPolarHBondContact O-CH2 3.18Å; D313-W383 HydrophobicContact CB-CH2 3.89Å; D313-W383 HydrophobicContact CB-CZ2 3.96Å; I322-W383 HydrophobicContact CB-CE3 3.85Å; I322-W383 HydrophobicContact CB-CZ3 3.71Å; I322-W383 HydrophobicContact CD1-CH2 3.91Å; I322-W383 HydrophobicContact CD1-CZ3 3.78Å; I322-W383 HydrophobicContact CG1-CZ3 4.32Å; I322-W383 HydrophobicContact CG2-CE3 4.11Å; I322-W383 HydrophobicContact CG2-CZ3 3.72Å; L324-W383 HydrophobicContact CD1-CB 4.35Å; L324-W383 HydrophobicContact CD1-CD2 4.4Å; L324-W383 HydrophobicContact CD1-CE3 3.87Å; L324-W383 HydrophobicContact CD2-CE3 3.86Å; L324-W383 HydrophobicContact CD2-CZ3 3.96Å; L324-W383 HydrophobicContact CG-CE3 3.92Å; L371-W383 HydrophobicContact CD1-CB 3.51Å; L371-W383 HydrophobicContact CD1-CG 4.11Å; L374-W383 HydrophobicContact CB-CD2 4.43Å; L374-W383 HydrophobicContact CB-CZ2 4.12Å; L374-W383 HydrophobicContact CD1-CD2 4.37Å; L374-W383 HydrophobicContact CD1-CE3 4.3Å; L374-W383 HydrophobicContact CD1-CH2 4.32Å; L374-W383 HydrophobicContact CD1-CZ2 4.4Å; L374-W383 HydrophobicContact CD1-CZ3 4.27Å; L374-W383 HydrophobicContact CD2-CH2 4.41Å; L374-W383 HydrophobicContact CD2-CZ2 4.28Å; R381-W383 HydrophobicContact CB-CZ2 4.3Å; R381-W383 HydrophobicContact CG-CD2 3.74Å; R381-W383 HydrophobicContact CG-CE3 4.36Å; R381-W383 HydrophobicContact CG-CG 4.08Å; R381-W383 HydrophobicContact CG-CH2 4.32Å; R381-W383 HydrophobicContact CG-CZ2 3.68Å; R381-W383 VanDerWaalsContact O-CD1 3.25Å; R381-W383 PolarHBondContact O-N 3.47Å; W383-F385 PolarHBondContact O-N 2.9Å
384N97.8Very high96.7Very high9 Ų948.9 Ų48.95%0.04826%0.255CS..EExtended strand (participates in β ladder)trans-88.693.5172.9-62.5-36.2000108.7P321 I322 D323 L324 R382 V386 V432 F441P321-N384 WeakPolarHBondContact CB-ND2 3.33Å; I322-N384 PolarHBondContact O-N 3.32Å; D323-N384 VanDerWaalsContact OD1-CB 3.25Å; D323-N384 WeakPolarHBondContact OD1-CB 3.45Å; D323-N384 PolarHBondContact OD1-ND2 2.93Å; L324-N384 PolarHBondContact N-O 2.79Å; R382-N384 PolarHBondContact NE-OD1 2.76Å; N384-V386 PolarHBondContact O-N 2.99Å; N384-V432 HydrophobicContact CB-CG1 4.4Å; N384-F441 HydrophobicContact CB-CE1 4.5Å; N384-F441 HydrophobicContact CB-CZ 4.2Å
385F98.4Very high96.5Very high12 Ų1249 Ų495%0.05326%0.256CS..EExtended strand (participates in β ladder)trans-78.9101.3175-174.7-104.8000110.4F299 L324 N326 R368 L371 W383 E387F299-F385 HydrophobicContact CD1-CD2 4.12Å; F299-F385 AromaticContact CD1-CE2 3.77Å; F299-F385 HydrophobicContact CD1-CE2 3.77Å; F299-F385 HydrophobicContact CE1-CD2 4.27Å; F299-F385 AromaticContact CE1-CE2 3.95Å; F299-F385 HydrophobicContact CE1-CE2 3.95Å; L324-F385 HydrophobicContact CB-CD2 4Å; L324-F385 HydrophobicContact CD1-CD2 4.39Å; N326-F385 HydrophobicContact CB-CE2 3.67Å; N326-F385 HydrophobicContact CB-CZ 3.66Å; R368-F385 HydrophobicContact CG-CD1 4.49Å; R368-F385 HydrophobicContact CG-CE1 3.69Å; R368-F385 HydrophobicContact CG-CZ 4.14Å; L371-F385 HydrophobicContact CD1-CB 4.25Å; L371-F385 HydrophobicContact CD2-CB 3.55Å; L371-F385 HydrophobicContact CD2-CD1 4.37Å; L371-F385 HydrophobicContact CD2-CD2 4.48Å; L371-F385 HydrophobicContact CD2-CG 3.92Å; L371-F385 HydrophobicContact CG-CB 4.43Å; W383-F385 PolarHBondContact O-N 2.9Å; F385-E387 HydrophobicContact CD1-CG 3.86Å; F385-E387 HydrophobicContact CE1-CG 3.81Å; F385-E387 WeakPolarHBondContact CE1-OE1 3.36Å; F385-E387 PolarHBondContact O-N 3.11Å
386V98.6Very high96.4Very high0 Ų050.3 Ų50.30%027%0.266CS..EExtended strand (participates in β ladder)trans-88.3110.8-174.7-169.10000109.8L324 L325 N326 N384 I388 V432 F441L324-V386 PolarHBondContact O-N 3.23Å; L325-V386 HydrophobicContact CD2-CB 4.01Å; L325-V386 HydrophobicContact CD2-CG2 3.84Å; N326-V386 PolarHBondContact N-O 2.87Å; N326-V386 VanDerWaalsContact N-O 3.11Å; N384-V386 PolarHBondContact O-N 2.99Å; V386-I388 HydrophobicContact CG1-CG1 4.02Å; V386-I388 PolarHBondContact O-N 2.83Å; V386-V432 HydrophobicContact CG2-CG1 4.17Å; V386-F441 HydrophobicContact CB-CD1 4.42Å; V386-F441 HydrophobicContact CG1-CD1 4.05Å; V386-F441 HydrophobicContact CG2-CD1 3.47Å; V386-F441 VanDerWaalsContact CG2-CD1 3.47Å; V386-F441 HydrophobicContact CG2-CE1 3.59Å
387E98.3Very high96.3Very high10 Ų1050.4 Ų50.45%0.04725%0.25CS..EExtended strand (participates in β ladder)trans-83.992.6176.3-51.8-150.815700113.1R364 R368 F385 N389 G430 N431R364-E387 VanDerWaalsContact CZ-CB 3.44Å; R364-E387 IonicContact NE-OE2 3.49Å; R364-E387 VanDerWaalsContact NH1-CB 3.32Å; R364-E387 VanDerWaalsContact NH1-CG 3.25Å; R364-E387 IonicContact NH1-OE1 3.72Å; R364-E387 VanDerWaalsContact NH2-CA 3.34Å; R368-E387 IonicContact CZ-OE1 3.32Å; R368-E387 VanDerWaalsContact CZ-OE1 3.27Å; R368-E387 IonicContact CZ-OE2 2.68Å; R368-E387 IonicContact NE-OE1 2.56Å; R368-E387 PolarHBondContact NE-OE1 2.8Å; R368-E387 IonicContact NE-OE2 3.07Å; R368-E387 VanDerWaalsContact NH2-CD 3.31Å; R368-E387 IonicContact NH2-OE1 2.97Å; R368-E387 PolarHBondContact NH2-OE1 2.93Å; R368-E387 IonicContact NH2-OE2 2.83Å; R368-E387 PolarHBondContact NH2-OE2 2.93Å; F385-E387 HydrophobicContact CD1-CG 3.86Å; F385-E387 HydrophobicContact CE1-CG 3.81Å; F385-E387 WeakPolarHBondContact CE1-OE1 3.36Å; F385-E387 PolarHBondContact O-N 3.11Å; E387-N389 PolarHBondContact O-N 2.95Å; E387-G430 CarbonylContact O-C 3.08Å; E387-G430 VanDerWaalsContact O-CA 3.25Å; E387-G430 WeakPolarHBondContact O-CA 3.38Å; E387-N431 WeakPolarHBondContact CA-O 3.46Å; E387-N431 WeakPolarHBondContact CB-O 3.4Å; E387-N431 PolarHBondContact N-O 2.89Å; E387-N431 PolarHBondContact O-N 3.4Å
388I98.5Very high96.2Very high0 Ų047.5 Ų47.50%024%0.236CC..EExtended strand (participates in β ladder)trans-87.6103178.3-54.4164000108.6L325 N326 V327 A328 R364 V386 V390 A425L325-I388 HydrophobicContact CB-CD1 4.17Å; N326-I388 PolarHBondContact O-N 2.67Å; V327-I388 CarbonylContact C-O 3.53Å; V327-I388 WeakPolarHBondContact CA-O 3.42Å; V327-I388 HydrophobicContact CB-CB 4.4Å; V327-I388 HydrophobicContact CG2-CB 4.44Å; V327-I388 HydrophobicContact CG2-CG2 4.11Å; A328-I388 PolarHBondContact N-O 2.81Å; R364-I388 VanDerWaalsContact NH2-N 3.17Å; R364-I388 PolarHBondContact NH2-O 2.98Å; V386-I388 HydrophobicContact CG1-CG1 4.02Å; V386-I388 PolarHBondContact O-N 2.83Å; I388-V390 HydrophobicContact CG2-CG2 4.19Å; I388-A425 WeakPolarHBondContact CD1-O 3.32Å
389N97.6Very high96.1Very high41 Ų4146.8 Ų46.822%0.21923%0.231CC..EExtended strand (participates in β ladder)trans-104.8119.7-177.7-68.5-23.6000109.3A328 F359 R364 E387A328-N389 WeakPolarHBondContact O-CA 3.42Å; F359-N389 WeakPolarHBondContact CB-OD1 3.49Å; F359-N389 HydrophobicContact CD1-CB 3.63Å; F359-N389 HydrophobicContact CD2-CB 3.98Å; F359-N389 HydrophobicContact CE1-CB 3.6Å; F359-N389 HydrophobicContact CE2-CB 3.96Å; F359-N389 HydrophobicContact CG-CB 3.82Å; F359-N389 HydrophobicContact CZ-CB 3.78Å; R364-N389 PolarHBondContact NH2-OD1 2.84Å; R364-N389 VanDerWaalsContact NH2-OD1 3.1Å; E387-N389 PolarHBondContact O-N 2.95Å
390V97.3Very high95.9Very high0 Ų046 Ų460%021%0.214CC..EExtended strand (participates in β ladder)trans-112.5125.4-171.8-174.50000110.9V327 A328 F329 R330 I388 E394 L395 F424V327-V390 HydrophobicContact CG2-CG2 3.84Å; A328-V390 PolarHBondContact O-N 2.95Å; F329-V390 HydrophobicContact CD1-CB 3.74Å; F329-V390 HydrophobicContact CD1-CG1 3.81Å; F329-V390 HydrophobicContact CD1-CG2 4.45Å; F329-V390 HydrophobicContact CE1-CB 3.83Å; F329-V390 HydrophobicContact CE1-CG1 3.65Å; F329-V390 HydrophobicContact CE1-CG2 4.18Å; F329-V390 HydrophobicContact CG-CB 4.4Å; F329-V390 HydrophobicContact CZ-CG2 4.44Å; R330-V390 PolarHBondContact N-O 3.42Å; I388-V390 HydrophobicContact CG2-CG2 4.19Å; V390-E394 WeakPolarHBondContact CA-OE2 3.42Å; V390-E394 HydrophobicContact CG1-CB 4.39Å; V390-E394 HydrophobicContact CG1-CG 4.47Å; V390-L395 HydrophobicContact CG1-CB 4.07Å; V390-F424 HydrophobicContact CB-CD1 4.46Å; V390-F424 HydrophobicContact CG1-CD1 4Å; V390-F424 HydrophobicContact CG1-CD2 4.1Å; V390-F424 HydrophobicContact CG1-CE1 3.73Å; V390-F424 HydrophobicContact CG1-CE2 3.86Å; V390-F424 HydrophobicContact CG1-CG 4.18Å; V390-F424 HydrophobicContact CG1-CZ 3.66Å; V390-F424 HydrophobicContact CG2-CB 3.89Å; V390-F424 HydrophobicContact CG2-CD1 3.55Å; V390-F424 HydrophobicContact CG2-CD2 4.27Å; V390-F424 HydrophobicContact CG2-CE1 4.11Å; V390-F424 HydrophobicContact CG2-CG 3.64Å
391T95.4Very high95.7Very high40 Ų4043.1 Ų43.125%0.24520%0.201CC..  trans-86.6161.3176.184.30000111.8E393 E394 L395T391-E393 VanDerWaalsContact C-N 3.27Å; T391-E393 WeakPolarHBondContact CB-OE2 3.2Å; T391-E393 PolarHBondContact O-N 3.47Å; T391-E393 PolarHBondContact OG1-N 3.38Å; T391-E393 PolarHBondContact OG1-OE2 3.48Å; T391-E394 PolarHBondContact N-OE2 2.68Å; T391-E394 PolarHBondContact O-N 3.36Å; T391-E394 PolarHBondContact OG1-N 3.49Å; T391-L395 WeakPolarHBondContact O-CB 3.24Å; T391-L395 PolarHBondContact O-N 2.88Å
392P92.9Very high95.5Very high46 Ų4645 Ų4530%0.29921%0.208SC..Hα-helixtrans-56.4-40.1173.8-21.830.7000113.8L395 Q396 M571P392-L395 PolarHBondContact O-N 3.41Å; P392-Q396 WeakPolarHBondContact O-CB 3.27Å; P392-Q396 PolarHBondContact O-N 2.97Å; P392-M571 HydrophobicContact CB-CE 3.64Å; P392-M571 HydrophobicContact CG-CE 3.46Å; P392-M571 VanDerWaalsContact CG-CE 3.46Å
393E93.7Very high95.5Very high124 Ų12439.4 Ų39.458%0.57919%0.187SC*.Hα-helixtrans-67-45.8-178.4-55.870.5-147.700110.1T391 Q396 E397T391-E393 VanDerWaalsContact C-N 3.27Å; T391-E393 WeakPolarHBondContact CB-OE2 3.2Å; T391-E393 PolarHBondContact O-N 3.47Å; T391-E393 PolarHBondContact OG1-N 3.38Å; T391-E393 PolarHBondContact OG1-OE2 3.48Å; E393-Q396 PolarHBondContact O-N 3.36Å; E393-E397 WeakPolarHBondContact O-CB 3.48Å; E393-E397 PolarHBondContact O-N 3.33Å
394E95.9Very high95.2Very high56 Ų5640.8 Ų40.826%0.26219%0.192SC..Hα-helixtrans-62.7-43.6176.7-172.1-174.8-172.600112V390 T391 E397 A398 F424 R427V390-E394 WeakPolarHBondContact CA-OE2 3.42Å; V390-E394 HydrophobicContact CG1-CB 4.39Å; V390-E394 HydrophobicContact CG1-CG 4.47Å; T391-E394 PolarHBondContact N-OE2 2.68Å; T391-E394 PolarHBondContact O-N 3.36Å; T391-E394 PolarHBondContact OG1-N 3.49Å; E394-E397 PolarHBondContact O-N 2.89Å; E394-A398 WeakPolarHBondContact O-CB 3.26Å; E394-A398 PolarHBondContact O-N 2.89Å; E394-F424 HydrophobicContact CG-CE1 3.78Å; E394-F424 HydrophobicContact CG-CZ 4.05Å; E394-R427 IonicContact OE1-CZ 2.71Å; E394-R427 IonicContact OE1-NH1 3.11Å; E394-R427 PolarHBondContact OE1-NH1 3.41Å; E394-R427 IonicContact OE1-NH2 3.84Å; E394-R427 PolarHBondContact OE1-NH2 2.86Å
395L95.3Very high94.9Very high4 Ų441 Ų412%0.02119%0.193CC..Hα-helixtrans-60.1-48.3174.7171.159.2000111.3F329 V390 T391 P392 E397 R399 C420 F424 V568 M571F329-L395 HydrophobicContact CD1-CD2 4.13Å; F329-L395 HydrophobicContact CE1-CD1 4.07Å; F329-L395 HydrophobicContact CE1-CD2 4.14Å; F329-L395 HydrophobicContact CE1-CG 4.48Å; V390-L395 HydrophobicContact CG1-CB 4.07Å; T391-L395 WeakPolarHBondContact O-CB 3.24Å; T391-L395 PolarHBondContact O-N 2.88Å; P392-L395 PolarHBondContact O-N 3.41Å; L395-E397 VanDerWaalsContact C-N 3.3Å; L395-E397 PolarHBondContact O-N 3.33Å; L395-R399 WeakPolarHBondContact O-CB 3.09Å; L395-R399 PolarHBondContact O-N 2.85Å; L395-C420 HydrophobicContact CD1-CB 3.82Å; L395-F424 HydrophobicContact CB-CE2 4.4Å; L395-F424 HydrophobicContact CD1-CE2 3.82Å; L395-V568 HydrophobicContact CD2-CG2 4.31Å; L395-M571 HydrophobicContact CD2-CB 4.24Å; L395-M571 HydrophobicContact CD2-CE 4.16Å; L395-M571 HydrophobicContact CD2-SD 3.47Å; L395-M571 WeakPolarHBondContact CD2-SD 3.47Å
396Q93.6Very high94.7Very high127 Ų12740.5 Ų40.559%0.59319%0.191SC*.Hα-helixtrans-62.3-39.9-179.6-175.3175.94.700111.7P392 E393 R400P392-Q396 WeakPolarHBondContact O-CB 3.27Å; P392-Q396 PolarHBondContact O-N 2.97Å; E393-Q396 PolarHBondContact O-N 3.36Å; Q396-R400 WeakPolarHBondContact O-CB 3.35Å; Q396-R400 PolarHBondContact O-N 3.23Å; Q396-R400 VanDerWaalsContact O-N 3.11Å
397E94.8Very high94.6Very high65 Ų6540.5 Ų40.530%0.30419%0.191SC..Hα-helixtrans-65.4-55.4178.2-167.659.1-14800112E393 E394 L395 R399 R400 Q401E393-E397 WeakPolarHBondContact O-CB 3.48Å; E393-E397 PolarHBondContact O-N 3.33Å; E394-E397 PolarHBondContact O-N 2.89Å; L395-E397 VanDerWaalsContact C-N 3.3Å; L395-E397 PolarHBondContact O-N 3.33Å; E397-R399 VanDerWaalsContact C-N 3.26Å; E397-R399 PolarHBondContact O-N 3.48Å; E397-R400 PolarHBondContact O-N 2.9Å; E397-R400 IonicContact OE1-CZ 3.71Å; E397-R400 IonicContact OE1-NH1 2.84Å; E397-R400 IonicContact OE1-NH2 3.9Å; E397-R400 PolarHBondContact OE1-NH2 3.17Å; E397-R400 IonicContact OE2-CZ 3.87Å; E397-R400 IonicContact OE2-NH1 3.22Å; E397-R400 PolarHBondContact OE2-NH1 3.18Å; E397-R400 IonicContact OE2-NH2 2.9Å; E397-R400 PolarHBondContact OE2-NH2 2.76Å; E397-Q401 HydrophobicContact CG-CG 4.5Å; E397-Q401 WeakPolarHBondContact O-CB 3.31Å; E397-Q401 WeakPolarHBondContact O-CG 3.33Å; E397-Q401 PolarHBondContact O-N 2.65Å; E397-Q401 WeakPolarHBondContact OE1-CG 3.49Å; E397-Q401 PolarHBondContact OE1-NE2 3.24Å
398A95.6Very high94.3Very high10 Ų1041.1 Ų41.18%0.08319%0.194CC..Hα-helixtrans-61.9-36.7-179.800000111.8E394 R402 I403 W423 F424E394-A398 WeakPolarHBondContact O-CB 3.26Å; E394-A398 PolarHBondContact O-N 2.89Å; A398-R402 WeakPolarHBondContact O-CA 3.38Å; A398-R402 PolarHBondContact O-N 3.45Å; A398-I403 HydrophobicContact CB-CD1 3.95Å; A398-I403 PolarHBondContact O-N 3.16Å; A398-W423 HydrophobicContact CB-CE3 4.31Å; A398-W423 HydrophobicContact CB-CH2 4.01Å; A398-W423 HydrophobicContact CB-CZ3 3.73Å; A398-F424 HydrophobicContact CB-CE1 4.32Å; A398-F424 HydrophobicContact CB-CE2 4.04Å; A398-F424 HydrophobicContact CB-CZ 3.52Å
399R94.1Very high93.9Very high25 Ų2543 Ų439%0.09421%0.206CC..Iπ-helixtrans-60.8-50.2176.3-175.4-171.1-78.4140.2-11.8111.5L395 E397 R404 D416 E572L395-R399 WeakPolarHBondContact O-CB 3.09Å; L395-R399 PolarHBondContact O-N 2.85Å; E397-R399 VanDerWaalsContact C-N 3.26Å; E397-R399 PolarHBondContact O-N 3.48Å; R399-R404 WeakPolarHBondContact O-CB 3.41Å; R399-R404 WeakPolarHBondContact O-CG 3.45Å; R399-R404 PolarHBondContact O-N 3.38Å; R399-R404 VanDerWaalsContact O-N 3.09Å; R399-D416 WeakPolarHBondContact CD-OD1 3.44Å; R399-D416 IonicContact CZ-OD1 2.71Å; R399-D416 IonicContact CZ-OD2 3.18Å; R399-D416 IonicContact NE-OD1 2.73Å; R399-D416 PolarHBondContact NE-OD1 3.49Å; R399-D416 IonicContact NE-OD2 2.63Å; R399-D416 PolarHBondContact NE-OD2 3.2Å; R399-D416 VanDerWaalsContact NE-OD2 3.09Å; R399-D416 IonicContact NH2-OD1 3.09Å; R399-D416 IonicContact NH2-OD2 3.56Å; R399-D416 PolarHBondContact NH2-OD2 3.32Å; R399-E572 IonicContact NH2-OE1 2.81Å
400R91.3Very high93.6Very high86 Ų8642.3 Ų42.333%0.32520%0.202SC..Iπ-helixtrans-68-42.3-177.5-170.4177.576.4-105.96.6112.2Q396 E397 R404 G588Q396-R400 WeakPolarHBondContact O-CB 3.35Å; Q396-R400 PolarHBondContact O-N 3.23Å; Q396-R400 VanDerWaalsContact O-N 3.11Å; E397-R400 PolarHBondContact O-N 2.9Å; E397-R400 IonicContact OE1-CZ 3.71Å; E397-R400 IonicContact OE1-NH1 2.84Å; E397-R400 IonicContact OE1-NH2 3.9Å; E397-R400 PolarHBondContact OE1-NH2 3.17Å; E397-R400 IonicContact OE2-CZ 3.87Å; E397-R400 IonicContact OE2-NH1 3.22Å; E397-R400 PolarHBondContact OE2-NH1 3.18Å; E397-R400 IonicContact OE2-NH2 2.9Å; E397-R400 PolarHBondContact OE2-NH2 2.76Å; R400-R404 WeakPolarHBondContact O-CD 3.45Å; R400-R404 PolarHBondContact O-NE 3.35Å; R400-G588 WeakPolarHBondContact CD-OXT 3.25Å; R400-G588 WeakPolarHBondContact CG-OXT 3.44Å
401Q90.9Very high93.4Very high108 Ų10844.8 Ų44.851%0.50522%0.216SC..Iπ-helixtrans-79.8-35.9-176.2-68-168.8-12.600113.4E397 H405E397-Q401 HydrophobicContact CG-CG 4.5Å; E397-Q401 WeakPolarHBondContact O-CB 3.31Å; E397-Q401 WeakPolarHBondContact O-CG 3.33Å; E397-Q401 PolarHBondContact O-N 2.65Å; E397-Q401 WeakPolarHBondContact OE1-CG 3.49Å; E397-Q401 PolarHBondContact OE1-NE2 3.24Å; Q401-H405 PolarHBondContact O-CD2 3.04Å
402R92.4Very high93.2Very high52 Ų5243.4 Ų43.420%0.19621%0.207CC..Iπ-helixtrans-131.6-62-165.7-63-174178.4-77.1-8.7113.4E23 A398 R404 H405 L406 W423 D501E23-R402 IonicContact OE1-CZ 2.72Å; E23-R402 VanDerWaalsContact OE1-CZ 3.23Å; E23-R402 IonicContact OE1-NH1 3.07Å; E23-R402 PolarHBondContact OE1-NH1 3.25Å; E23-R402 IonicContact OE1-NH2 3.96Å; E23-R402 PolarHBondContact OE1-NH2 3.32Å; A398-R402 WeakPolarHBondContact O-CA 3.38Å; A398-R402 PolarHBondContact O-N 3.45Å; R402-R404 VanDerWaalsContact C-N 3.26Å; R402-R404 PolarHBondContact O-N 3.19Å; R402-R404 VanDerWaalsContact O-N 3.15Å; R402-H405 WeakPolarHBondContact O-CB 3.4Å; R402-H405 PolarHBondContact O-N 3.37Å; R402-L406 PolarHBondContact O-N 3.33Å; R402-W423 HydrophobicContact CB-CZ2 4.48Å; R402-D501 IonicContact NH1-OD1 3.93Å
403I95.1Very high93.2Very high0 Ų041.4 Ų41.40%020%0.195CC..Iπ-helixtrans-61.6-35.5-163.5-57.7159.5000111.5A398 H405 L406 V407 C420 W423 F424A398-I403 HydrophobicContact CB-CD1 3.95Å; A398-I403 PolarHBondContact O-N 3.16Å; I403-H405 PolarHBondContact O-N 2.98Å; I403-H405 VanDerWaalsContact O-N 3.16Å; I403-L406 PolarHBondContact O-N 3.24Å; I403-L406 VanDerWaalsContact O-N 3.08Å; I403-V407 HydrophobicContact CG2-CG2 3.66Å; I403-V407 WeakPolarHBondContact O-CG2 3.48Å; I403-V407 PolarHBondContact O-N 3.45Å; I403-C420 HydrophobicContact CD1-CB 4.42Å; I403-W423 HydrophobicContact CD1-CB 4.18Å; I403-W423 HydrophobicContact CD1-CD2 3.97Å; I403-W423 HydrophobicContact CD1-CE3 3.92Å; I403-W423 HydrophobicContact CD1-CG 4.1Å; I403-W423 HydrophobicContact CG1-CB 4.04Å; I403-W423 HydrophobicContact CG1-CD2 3.79Å; I403-W423 HydrophobicContact CG1-CE3 4.25Å; I403-W423 HydrophobicContact CG1-CG 3.68Å; I403-F424 HydrophobicContact CD1-CD2 4.44Å; I403-F424 HydrophobicContact CD1-CE2 4.03Å
404R91.9Very high93.2Very high41 Ų4138.1 Ų38.116%0.15518%0.181CC..Hα-helixtrans-54.7-36176.668.8174.6-173.8178.5-7113.7H160 R399 R400 R402 L585H160-R404 PolarHBondContact NE2-O 3.04Å; R399-R404 WeakPolarHBondContact O-CB 3.41Å; R399-R404 WeakPolarHBondContact O-CG 3.45Å; R399-R404 PolarHBondContact O-N 3.38Å; R399-R404 VanDerWaalsContact O-N 3.09Å; R400-R404 WeakPolarHBondContact O-CD 3.45Å; R400-R404 PolarHBondContact O-NE 3.35Å; R402-R404 VanDerWaalsContact C-N 3.26Å; R402-R404 PolarHBondContact O-N 3.19Å; R402-R404 VanDerWaalsContact O-N 3.15Å; R404-L585 HydrophobicContact CB-CD2 4.06Å
405H91.7Very high93.1Very high14 Ų1435.7 Ų35.77%0.06517%0.169CC..Hα-helixtrans-75.4-39.2-179.9-59.4-55.6000111A158 H160 Q401 R402 I403 L408A158-H405 CarbonylContact O-C 3.41Å; A158-H405 WeakPolarHBondContact O-CB 3.33Å; H160-H405 AromaticContact CD2-ND1 3.68Å; H160-H405 PolarHBondContact N-ND1 2.87Å; Q401-H405 PolarHBondContact O-CD2 3.04Å; R402-H405 WeakPolarHBondContact O-CB 3.4Å; R402-H405 PolarHBondContact O-N 3.37Å; I403-H405 PolarHBondContact O-N 2.98Å; I403-H405 VanDerWaalsContact O-N 3.16Å; H405-L408 WeakPolarHBondContact O-CB 3.39Å
406L95.1Very high93.1Very high2 Ų235.5 Ų35.51%0.0117%0.168CC..Hα-helixtrans-73.3-27.1-177.9-57.4172.8000113P24 V157 R402 I403 R497 V498 D501P24-L406 HydrophobicContact CB-CD2 4.11Å; V157-L406 HydrophobicContact CG1-CD2 4.21Å; R402-L406 PolarHBondContact O-N 3.33Å; I403-L406 PolarHBondContact O-N 3.24Å; I403-L406 VanDerWaalsContact O-N 3.08Å; L406-R497 HydrophobicContact CB-CB 4.41Å; L406-R497 PolarHBondContact O-NE 3.27Å; L406-R497 PolarHBondContact O-NH1 2.99Å; L406-V498 HydrophobicContact CB-CG1 3.84Å; L406-V498 HydrophobicContact CD1-CG1 4.48Å; L406-D501 HydrophobicContact CD1-CB 3.49Å; L406-D501 VanDerWaalsContact CD1-CB 3.49Å; L406-D501 HydrophobicContact CD2-CB 4.18Å; L406-D501 HydrophobicContact CG-CB 4.5Å
407V94.6Very high93.2Very high0 Ų029.4 Ų29.40%014%0.14CC..Hα-helixtrans-81.1-21.1-179.4172.50000113.3I403 L410 D415 R494 L585I403-V407 HydrophobicContact CG2-CG2 3.66Å; I403-V407 WeakPolarHBondContact O-CG2 3.48Å; I403-V407 PolarHBondContact O-N 3.45Å; V407-L410 HydrophobicContact CG1-CB 4.31Å; V407-L410 VanDerWaalsContact O-CB 3.26Å; V407-L410 WeakPolarHBondContact O-CB 3.21Å; V407-L410 PolarHBondContact O-N 3.17Å; V407-L410 VanDerWaalsContact O-N 3.14Å; V407-D415 HydrophobicContact CG1-CB 3.85Å; V407-R494 HydrophobicContact CG2-CG 4.31Å; V407-L585 HydrophobicContact CB-CD2 4.49Å; V407-L585 HydrophobicContact CG1-CD1 3.84Å
408L92Very high93.2Very high22 Ų2227.9 Ų27.912%0.11513%0.133CC..THydrogen-bonded Turntrans-46.8161.4172.4-80171.9000111.5A158 H160 H405 R497A158-L408 HydrophobicContact CB-CB 4.04Å; A158-L408 HydrophobicContact CB-CD1 3.88Å; H160-L408 VanDerWaalsContact CE1-CD2 3.49Å; H160-L408 WeakPolarHBondContact CE1-CD2 3.34Å; H405-L408 WeakPolarHBondContact O-CB 3.39Å; L408-R497 PolarHBondContact O-NH1 3.25Å; L408-R497 PolarHBondContact O-NH2 3.36Å
409P90.9Very high93.3Very high40 Ų4027.4 Ų27.426%0.2613%0.129SC..THydrogen-bonded Turncis-713-18.438.2-39.1000112.2W169 E171W169-P409 WeakPolarHBondContact O-CB 3.23Å; E171-P409 HydrophobicContact CB-CG 4.41Å
410L92Very high93.4Very high27 Ų2726.2 Ų26.214%0.14113%0.125CC..  trans-68.9143.7176.1-54.4177000109.9V407 D415 S489 R494V407-L410 HydrophobicContact CG1-CB 4.31Å; V407-L410 VanDerWaalsContact O-CB 3.26Å; V407-L410 WeakPolarHBondContact O-CB 3.21Å; V407-L410 PolarHBondContact O-N 3.17Å; V407-L410 VanDerWaalsContact O-N 3.14Å; L410-D415 HydrophobicContact CB-CB 3.75Å; L410-D415 HydrophobicContact CD1-CB 4.24Å; L410-D415 WeakPolarHBondContact CD1-OD1 3.06Å; L410-S489 WeakPolarHBondContact CD2-O 3.4Å; L410-R494 HydrophobicContact CD1-CB 4Å
411D91.6Very high93.7Very high52 Ų5222.1 Ų22.128%0.27811%0.109SC..  trans-139.911.6-171.771-7.8000113.2K581 C582D411-K581 CarbonylContact O-C 3.46Å; D411-K581 WeakPolarHBondContact O-CA 3.34Å; D411-K581 WeakPolarHBondContact OD2-CE 3.05Å; D411-K581 IonicContact OD2-NZ 3.89Å; D411-K581 PolarHBondContact OD2-NZ 2.84Å; D411-C582 WeakPolarHBondContact O-CB 3.26Å; D411-C582 PolarHBondContact O-N 3.07Å
412S92.8Very high94.1Very high10 Ų1017.1 Ų17.17%0.079%0.086CC..BIsolated β-bridgetrans-87.8161-179.682.30000113.3L414 D415 D416 D580S412-L414 PolarHBondContact O-N 2.88Å; S412-L414 PolarHBondContact OG-N 3.37Å; S412-D415 VanDerWaalsContact CB-OD2 3.31Å; S412-D415 WeakPolarHBondContact CB-OD2 3.29Å; S412-D415 PolarHBondContact N-OD2 3.39Å; S412-D415 PolarHBondContact O-N 3.27Å; S412-D415 VanDerWaalsContact O-N 3.12Å; S412-D415 PolarHBondContact OG-N 3.49Å; S412-D415 PolarHBondContact OG-OD2 3.18Å; S412-D416 PolarHBondContact O-N 3.34Å; S412-D416 VanDerWaalsContact O-N 3.09Å; S412-D580 CarbonylContact C-O 3.4Å; S412-D580 VanDerWaalsContact CA-O 3.26Å; S412-D580 WeakPolarHBondContact CA-O 3.47Å
413V93.1Very high94.4Very high5 Ų515.3 Ų15.33%0.038%0.079CC..Hα-helixtrans-59.6-37.8174.7171.60000111.4D415 D416 S417 E572 E576 D580 C582V413-D415 VanDerWaalsContact C-N 3.3Å; V413-D415 PolarHBondContact O-N 2.96Å; V413-D416 PolarHBondContact O-N 2.99Å; V413-S417 WeakPolarHBondContact O-CB 3.5Å; V413-S417 PolarHBondContact O-N 2.81Å; V413-E572 VanDerWaalsContact CG1-OE2 3.29Å; V413-E572 WeakPolarHBondContact CG1-OE2 3.15Å; V413-E576 HydrophobicContact CG2-CB 4.15Å; V413-E576 WeakPolarHBondContact CG2-OE2 3.5Å; V413-D580 HydrophobicContact CG2-CB 4.43Å; V413-D580 PolarHBondContact N-O 2.86Å; V413-C582 HydrophobicContact CG2-CB 4.03Å
414L92.5Very high94.5Very high55 Ų5515.3 Ų15.329%0.2888%0.079SC..Hα-helixtrans-60.1-41.5174.4-17758000112S412 S417 I418 A578S412-L414 PolarHBondContact O-N 2.88Å; S412-L414 PolarHBondContact OG-N 3.37Å; L414-S417 PolarHBondContact O-N 2.99Å; L414-I418 HydrophobicContact CD1-CD1 3.6Å; L414-I418 HydrophobicContact CD1-CG1 4.1Å; L414-I418 HydrophobicContact CG-CD1 3.91Å; L414-I418 WeakPolarHBondContact O-CG1 3.45Å; L414-I418 PolarHBondContact O-N 3.35Å; L414-A578 HydrophobicContact CB-CB 4.16Å; L414-A578 WeakPolarHBondContact CB-O 3.41Å; L414-A578 PolarHBondContact N-O 2.7Å
415D94.3Very high94.8Very high4 Ų413.5 Ų13.52%0.0217%0.074CC..Hα-helixtrans-69.8-39.8-178-59.6-49.6000111.7V407 L410 S412 V413 G419 R494V407-D415 HydrophobicContact CG1-CB 3.85Å; L410-D415 HydrophobicContact CB-CB 3.75Å; L410-D415 HydrophobicContact CD1-CB 4.24Å; L410-D415 WeakPolarHBondContact CD1-OD1 3.06Å; S412-D415 VanDerWaalsContact CB-OD2 3.31Å; S412-D415 WeakPolarHBondContact CB-OD2 3.29Å; S412-D415 PolarHBondContact N-OD2 3.39Å; S412-D415 PolarHBondContact O-N 3.27Å; S412-D415 VanDerWaalsContact O-N 3.12Å; S412-D415 PolarHBondContact OG-N 3.49Å; S412-D415 PolarHBondContact OG-OD2 3.18Å; V413-D415 VanDerWaalsContact C-N 3.3Å; V413-D415 PolarHBondContact O-N 2.96Å; D415-G419 WeakPolarHBondContact O-CA 3.29Å; D415-G419 PolarHBondContact O-N 2.96Å; D415-R494 IonicContact OD1-NH1 3.98Å; D415-R494 PolarHBondContact OD1-NH1 2.68Å
416D94.8Very high95.2Very high0 Ų012.9 Ų12.90%07%0.071CC..Hα-helixtrans-59.4-52.9170.517850.9000111.2R399 S412 V413 I418 G419 C420 C582 R584 L585R399-D416 WeakPolarHBondContact CD-OD1 3.44Å; R399-D416 IonicContact CZ-OD1 2.71Å; R399-D416 IonicContact CZ-OD2 3.18Å; R399-D416 IonicContact NE-OD1 2.73Å; R399-D416 PolarHBondContact NE-OD1 3.49Å; R399-D416 IonicContact NE-OD2 2.63Å; R399-D416 PolarHBondContact NE-OD2 3.2Å; R399-D416 VanDerWaalsContact NE-OD2 3.09Å; R399-D416 IonicContact NH2-OD1 3.09Å; R399-D416 IonicContact NH2-OD2 3.56Å; R399-D416 PolarHBondContact NH2-OD2 3.32Å; S412-D416 PolarHBondContact O-N 3.34Å; S412-D416 VanDerWaalsContact O-N 3.09Å; V413-D416 PolarHBondContact O-N 2.99Å; D416-I418 PolarHBondContact O-N 3.44Å; D416-G419 PolarHBondContact O-N 3.46Å; D416-C420 WeakPolarHBondContact O-CB 3.35Å; D416-C420 PolarHBondContact O-N 3.41Å; D416-C420 PolarHBondContact O-SG 3.45Å; D416-C420 PolarHBondContact OD1-SG 3.17Å; D416-C582 HydrophobicContact CB-CB 4.33Å; D416-R584 IonicContact OD2-NE 3.06Å; D416-R584 PolarHBondContact OD2-NE 3.23Å; D416-R584 IonicContact OD2-NH2 2.71Å; D416-L585 HydrophobicContact CB-CD1 4.1Å; D416-L585 HydrophobicContact CB-CD2 4.04Å; D416-L585 HydrophobicContact CB-CG 4.14Å; D416-L585 WeakPolarHBondContact OD1-CD2 3.44Å
417S95.1Very high95.3Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-58.5-49.6-177.6-106.20000112.5V413 L414 A421 V568 E572V413-S417 WeakPolarHBondContact O-CB 3.5Å; V413-S417 PolarHBondContact O-N 2.81Å; L414-S417 PolarHBondContact O-N 2.99Å; S417-A421 PolarHBondContact O-N 3.23Å; S417-A421 VanDerWaalsContact O-N 3.15Å; S417-V568 WeakPolarHBondContact O-CG1 3.42Å; S417-E572 PolarHBondContact OG-OE1 3.3Å; S417-E572 PolarHBondContact OG-OE2 3Å; S417-E572 VanDerWaalsContact OG-OE2 3.11Å
418I95.6Very high95.4Very high32 Ų3215.5 Ų15.516%0.1648%0.08CC..Hα-helixtrans-69.3-45.1179.2-63.5173.1000110.3L414 D416 C420 A421 V422 R494 M562L414-I418 HydrophobicContact CD1-CD1 3.6Å; L414-I418 HydrophobicContact CD1-CG1 4.1Å; L414-I418 HydrophobicContact CG-CD1 3.91Å; L414-I418 WeakPolarHBondContact O-CG1 3.45Å; L414-I418 PolarHBondContact O-N 3.35Å; D416-I418 PolarHBondContact O-N 3.44Å; I418-C420 VanDerWaalsContact C-N 3.3Å; I418-C420 PolarHBondContact O-N 3.25Å; I418-A421 PolarHBondContact O-N 2.99Å; I418-V422 HydrophobicContact CG2-CG2 4.05Å; I418-V422 WeakPolarHBondContact O-CG2 3.4Å; I418-V422 PolarHBondContact O-N 2.57Å; I418-R494 VanDerWaalsContact CG2-NH2 3.32Å; I418-M562 HydrophobicContact CG2-CE 3.84Å
419G97Very high95.7Very high0 Ų015.6 Ų15.60%09%0.085CC..Hα-helixtrans-55.9-44.3178.200000112.2D415 D416 W423D415-G419 WeakPolarHBondContact O-CA 3.29Å; D415-G419 PolarHBondContact O-N 2.96Å; D416-G419 PolarHBondContact O-N 3.46Å; G419-W423 VanDerWaalsContact O-CB 3.24Å; G419-W423 WeakPolarHBondContact O-CB 3.43Å; G419-W423 PolarHBondContact O-N 3.18Å
420C97.6Very high96Very high0 Ų014.5 Ų14.50%08%0.08CC..Hα-helixtrans-62.4-48.9175.3-70.50000112.3L395 I403 D416 I418 V422 W423 F424 V568L395-C420 HydrophobicContact CD1-CB 3.82Å; I403-C420 HydrophobicContact CD1-CB 4.42Å; D416-C420 WeakPolarHBondContact O-CB 3.35Å; D416-C420 PolarHBondContact O-N 3.41Å; D416-C420 PolarHBondContact O-SG 3.45Å; D416-C420 PolarHBondContact OD1-SG 3.17Å; I418-C420 VanDerWaalsContact C-N 3.3Å; I418-C420 PolarHBondContact O-N 3.25Å; C420-V422 PolarHBondContact O-N 3.02Å; C420-W423 PolarHBondContact O-N 3.39Å; C420-F424 VanDerWaalsContact O-CD2 3.31Å; C420-F424 WeakPolarHBondContact O-CD2 3.33Å; C420-F424 PolarHBondContact O-N 3.2Å; C420-V568 HydrophobicContact CB-CG2 4.14Å
421A97.6Very high96.3Very high0 Ų015.6 Ų15.60%09%0.086CC..Hα-helixtrans-60.8-44.8-179.800000112.1F329 S417 I418 A425 M562 V568F329-A421 HydrophobicContact CE2-CB 4.16Å; S417-A421 PolarHBondContact O-N 3.23Å; S417-A421 VanDerWaalsContact O-N 3.15Å; I418-A421 PolarHBondContact O-N 2.99Å; A421-A425 VanDerWaalsContact O-CB 3.27Å; A421-A425 WeakPolarHBondContact O-CB 3.48Å; A421-A425 PolarHBondContact O-N 3.11Å; A421-M562 HydrophobicContact CB-CE 4.04Å; A421-M562 HydrophobicContact CB-CG 3.98Å; A421-M562 HydrophobicContact CB-SD 4.01Å; A421-V568 HydrophobicContact CB-CG1 4.33Å
422V98.2Very high96.5Very high3 Ų313.4 Ų13.42%0.0188%0.075CC..Hα-helixtrans-67.5-44.8179-178.90000111.2L298 I418 C420 A425 A426 V498 V499 M562L298-V422 HydrophobicContact CD1-CG1 4.1Å; I418-V422 HydrophobicContact CG2-CG2 4.05Å; I418-V422 WeakPolarHBondContact O-CG2 3.4Å; I418-V422 PolarHBondContact O-N 2.57Å; C420-V422 PolarHBondContact O-N 3.02Å; V422-A425 PolarHBondContact O-N 2.99Å; V422-A426 VanDerWaalsContact O-CB 3.25Å; V422-A426 WeakPolarHBondContact O-CB 3.4Å; V422-A426 PolarHBondContact O-N 2.72Å; V422-V498 HydrophobicContact CB-CG2 3.8Å; V422-V498 HydrophobicContact CG1-CG2 3.56Å; V422-V499 HydrophobicContact CG1-CG2 3.63Å; V422-M562 HydrophobicContact CG2-CE 3.4Å; V422-M562 VanDerWaalsContact CG2-CE 3.4Å; V422-M562 HydrophobicContact CG2-SD 4.4Å
423W98.4Very high96.4Very high14 Ų1417.9 Ų17.95%0.05310%0.096CC..Hα-helixtrans-57.2-53.5179.1-17188.7000110.9A398 R402 I403 G419 C420 A425 A426 R427 V498 D501 H502A398-W423 HydrophobicContact CB-CE3 4.31Å; A398-W423 HydrophobicContact CB-CH2 4.01Å; A398-W423 HydrophobicContact CB-CZ3 3.73Å; R402-W423 HydrophobicContact CB-CZ2 4.48Å; I403-W423 HydrophobicContact CD1-CB 4.18Å; I403-W423 HydrophobicContact CD1-CD2 3.97Å; I403-W423 HydrophobicContact CD1-CE3 3.92Å; I403-W423 HydrophobicContact CD1-CG 4.1Å; I403-W423 HydrophobicContact CG1-CB 4.04Å; I403-W423 HydrophobicContact CG1-CD2 3.79Å; I403-W423 HydrophobicContact CG1-CE3 4.25Å; I403-W423 HydrophobicContact CG1-CG 3.68Å; G419-W423 VanDerWaalsContact O-CB 3.24Å; G419-W423 WeakPolarHBondContact O-CB 3.43Å; G419-W423 PolarHBondContact O-N 3.18Å; C420-W423 PolarHBondContact O-N 3.39Å; W423-A425 VanDerWaalsContact C-N 3.34Å; W423-A425 PolarHBondContact O-N 3.17Å; W423-A426 PolarHBondContact O-N 3.44Å; W423-R427 PolarHBondContact O-N 3.37Å; W423-V498 HydrophobicContact CB-CB 3.99Å; W423-V498 HydrophobicContact CB-CG1 4.47Å; W423-V498 HydrophobicContact CG-CB 4.46Å; W423-D501 PolarHBondContact NE1-OD2 3.43Å; W423-H502 AromaticContact CD1-NE2 3.6Å; W423-H502 AromaticContact CD2-CE1 3.88Å; W423-H502 AromaticContact CD2-NE2 3.38Å; W423-H502 AromaticContact CE2-CE1 3.37Å; W423-H502 AromaticContact CE2-NE2 3.23Å; W423-H502 AromaticContact CE3-NE2 3.98Å; W423-H502 AromaticContact CG-NE2 3.64Å; W423-H502 AromaticContact CH2-CE1 3.8Å; W423-H502 AromaticContact CZ2-CE1 3.33Å; W423-H502 WeakPolarHBondContact CZ2-CE1 3.5Å; W423-H502 AromaticContact CZ2-NE2 3.71Å; W423-H502 AromaticContact NE1-CE1 3.76Å; W423-H502 AromaticContact NE1-NE2 3.37Å; W423-H502 PolarHBondContact NE1-NE2 2.99Å; W423-H502 PolarHBondContact O-NE2 3.38Å
424F98.5Very high96.1Very high0 Ų021.6 Ų21.60%011%0.113CC..Hα-helixtrans-62.6-40179.2-84.3-72.6000112.7V327 F329 V390 E394 L395 A398 I403 C420 R427V327-F424 HydrophobicContact CG2-CB 3.82Å; F329-F424 HydrophobicContact CE1-CD2 4.03Å; F329-F424 HydrophobicContact CE1-CE2 4.42Å; F329-F424 HydrophobicContact CZ-CB 4.47Å; F329-F424 HydrophobicContact CZ-CD2 4.02Å; V390-F424 HydrophobicContact CB-CD1 4.46Å; V390-F424 HydrophobicContact CG1-CD1 4Å; V390-F424 HydrophobicContact CG1-CD2 4.1Å; V390-F424 HydrophobicContact CG1-CE1 3.73Å; V390-F424 HydrophobicContact CG1-CE2 3.86Å; V390-F424 HydrophobicContact CG1-CG 4.18Å; V390-F424 HydrophobicContact CG1-CZ 3.66Å; V390-F424 HydrophobicContact CG2-CB 3.89Å; V390-F424 HydrophobicContact CG2-CD1 3.55Å; V390-F424 HydrophobicContact CG2-CD2 4.27Å; V390-F424 HydrophobicContact CG2-CE1 4.11Å; V390-F424 HydrophobicContact CG2-CG 3.64Å; E394-F424 HydrophobicContact CG-CE1 3.78Å; E394-F424 HydrophobicContact CG-CZ 4.05Å; L395-F424 HydrophobicContact CB-CE2 4.4Å; L395-F424 HydrophobicContact CD1-CE2 3.82Å; A398-F424 HydrophobicContact CB-CE1 4.32Å; A398-F424 HydrophobicContact CB-CE2 4.04Å; A398-F424 HydrophobicContact CB-CZ 3.52Å; I403-F424 HydrophobicContact CD1-CD2 4.44Å; I403-F424 HydrophobicContact CD1-CE2 4.03Å; C420-F424 VanDerWaalsContact O-CD2 3.31Å; C420-F424 WeakPolarHBondContact O-CD2 3.33Å; C420-F424 PolarHBondContact O-N 3.2Å; F424-R427 WeakPolarHBondContact O-CB 3.1Å
425A98.4Very high95.3Very high4 Ų427.8 Ų27.83%0.03315%0.146CC..Hα-helixtrans-62.7-47.717600000111.6L298 L325 V327 I388 A421 V422 W423 R427 G428L298-A425 HydrophobicContact CD2-CB 3.82Å; L325-A425 WeakPolarHBondContact CD1-O 3.35Å; V327-A425 HydrophobicContact CB-CB 4.03Å; V327-A425 HydrophobicContact CG1-CB 3.96Å; I388-A425 WeakPolarHBondContact CD1-O 3.32Å; A421-A425 VanDerWaalsContact O-CB 3.27Å; A421-A425 WeakPolarHBondContact O-CB 3.48Å; A421-A425 PolarHBondContact O-N 3.11Å; V422-A425 PolarHBondContact O-N 2.99Å; W423-A425 VanDerWaalsContact C-N 3.34Å; W423-A425 PolarHBondContact O-N 3.17Å; A425-R427 VanDerWaalsContact C-N 3.32Å; A425-R427 PolarHBondContact O-N 2.74Å; A425-G428 PolarHBondContact O-N 3.45Å; A425-G428 VanDerWaalsContact O-N 3.1Å
426A98.2Very high94.5Very high0 Ų031.8 Ų31.80%019%0.189CC..Hα-helixtrans-65.8-32-177.700000113.1V422 W423 G428 V499 K504V422-A426 VanDerWaalsContact O-CB 3.25Å; V422-A426 WeakPolarHBondContact O-CB 3.4Å; V422-A426 PolarHBondContact O-N 2.72Å; W423-A426 PolarHBondContact O-N 3.44Å; A426-G428 PolarHBondContact O-N 3.37Å; A426-V499 HydrophobicContact CB-CB 4.26Å; A426-V499 HydrophobicContact CB-CG1 4.19Å; A426-V499 HydrophobicContact CB-CG2 3.93Å; A426-K504 VanDerWaalsContact O-CD 3.29Å; A426-K504 WeakPolarHBondContact O-CD 3.34Å; A426-K504 WeakPolarHBondContact O-CE 3.37Å; A426-K504 PolarHBondContact O-NZ 2.76Å
427R97.8Very high94.2Very high57 Ų5733 Ų3322%0.21520%0.202CC..Hα-helixtrans-47.6-37.5170.8-172.5178.867.9178.51.8112E394 W423 F424 A425 A429 H502E394-R427 IonicContact OE1-CZ 2.71Å; E394-R427 IonicContact OE1-NH1 3.11Å; E394-R427 PolarHBondContact OE1-NH1 3.41Å; E394-R427 IonicContact OE1-NH2 3.84Å; E394-R427 PolarHBondContact OE1-NH2 2.86Å; W423-R427 PolarHBondContact O-N 3.37Å; F424-R427 WeakPolarHBondContact O-CB 3.1Å; A425-R427 VanDerWaalsContact C-N 3.32Å; A425-R427 PolarHBondContact O-N 2.74Å; R427-A429 HydrophobicContact CG-CB 4.07Å; R427-A429 PolarHBondContact O-N 3.24Å; R427-H502 VanDerWaalsContact CB-CE1 3.48Å; R427-H502 WeakPolarHBondContact CB-CE1 3.25Å; R427-H502 PolarHBondContact N-CD2 3.47Å
428G97.8Very high94.1Very high0 Ų037.2 Ų37.20%023%0.228CC..  trans65.818174.100000114.4A425 A426 T442 S443A425-G428 PolarHBondContact O-N 3.45Å; A425-G428 VanDerWaalsContact O-N 3.1Å; A426-G428 PolarHBondContact O-N 3.37Å; G428-T442 CarbonylContact O-C 3.57Å; G428-T442 WeakPolarHBondContact O-CA 3.48Å; G428-S443 PolarHBondContact O-N 3.17Å
429A98.2Very high94.1Very high25 Ų2540 Ų4021%0.20724%0.237CC..EExtended strand (participates in β ladder)trans-103.7119.1177.500000110.2R427 F441 T442R427-A429 HydrophobicContact CG-CB 4.07Å; R427-A429 PolarHBondContact O-N 3.24Å; A429-F441 WeakPolarHBondContact CA-O 3.47Å; A429-T442 HydrophobicContact CB-CG2 4.24Å
430G97.6Very high94.1Very high16 Ų1644.8 Ų44.817%0.16527%0.268CS..EExtended strand (participates in β ladder)trans-170.4-146.3-174.800000111.3E387 F441E387-G430 CarbonylContact O-C 3.08Å; E387-G430 VanDerWaalsContact O-CA 3.25Å; E387-G430 WeakPolarHBondContact O-CA 3.38Å; G430-F441 PolarHBondContact N-O 3.35Å; G430-F441 PolarHBondContact O-N 3.36Å; G430-F441 VanDerWaalsContact O-O 3.1Å
431N97.3Very high94.1Very high50 Ų5046.4 Ų46.427%0.26728%0.275SS..EExtended strand (participates in β ladder)trans-123.4142.6176.6-60.2-76.1000111.3E387 P438 R439E387-N431 WeakPolarHBondContact CA-O 3.46Å; E387-N431 WeakPolarHBondContact CB-O 3.4Å; E387-N431 PolarHBondContact N-O 2.89Å; E387-N431 PolarHBondContact O-N 3.4Å; N431-P438 HydrophobicContact CB-CB 4.11Å; N431-R439 CarbonylContact C-O 3.56Å; N431-R439 VanDerWaalsContact CA-O 3.23Å; N431-R439 WeakPolarHBondContact CA-O 3.46Å
432V96.6Very high94.1Very high6 Ų651 Ų514%0.03630%0.304CS..EExtended strand (participates in β ladder)trans-102.7143.8165.7-660000109.2N384 V386 E434 P438 R439 F441N384-V432 HydrophobicContact CB-CG1 4.4Å; V386-V432 HydrophobicContact CG2-CG1 4.17Å; V432-E434 HydrophobicContact CG2-CG 4.41Å; V432-P438 WeakPolarHBondContact O-CA 3.25Å; V432-R439 HydrophobicContact CG2-CB 4.3Å; V432-R439 PolarHBondContact N-O 2.8Å; V432-R439 PolarHBondContact O-N 3.17Å; V432-F441 HydrophobicContact CB-CB 4.39Å; V432-F441 HydrophobicContact CG1-CB 3.73Å; V432-F441 HydrophobicContact CG1-CD1 4Å; V432-F441 HydrophobicContact CG1-CD2 4.03Å; V432-F441 HydrophobicContact CG1-CG 3.65Å; V432-F441 HydrophobicContact CG2-CB 4.01Å; V432-F441 HydrophobicContact CG2-CD2 4.22Å; V432-F441 HydrophobicContact CG2-CG 4.34Å
433M90.9Very high94Very high105 Ų10551.1 Ų51.152%0.51730%0.304SS..EExtended strand (participates in β ladder)trans-86.5121.7175.7-62.9-59.3-61.400109.6P438M433-P438 HydrophobicContact SD-CB 3.89Å
434E85Confident93.8Very high83 Ų8353.5 Ų53.539%0.38832%0.323SS..EExtended strand (participates in β ladder)trans-125.2170.2173-68.8177.1173.600109.4V432 G436 G437 R439V432-E434 HydrophobicContact CG2-CG 4.41Å; E434-G436 PolarHBondContact O-N 2.94Å; E434-G437 PolarHBondContact N-O 3.24Å; E434-G437 PolarHBondContact O-N 2.86Å; E434-R439 VanDerWaalsContact CD-NE 3.31Å; E434-R439 IonicContact OE1-CZ 2.83Å; E434-R439 IonicContact OE1-NE 3.8Å; E434-R439 PolarHBondContact OE1-NE 3.45Å; E434-R439 IonicContact OE1-NH2 3.75Å; E434-R439 PolarHBondContact OE1-NH2 3.03Å; E434-R439 IonicContact OE2-CZ 3.84Å; E434-R439 IonicContact OE2-NE 3.96Å; E434-R439 PolarHBondContact OE2-NE 2.93Å; E434-R439 IonicContact OE2-NH2 3.03Å
435D77.3Confident93.7Very high184 Ų18453.5 Ų53.598%0.98432%0.323SS*.THydrogen-bonded Turntrans-57.6-22.6-174.7-61.9-34.8000113.6
436G77.6Confident93.6Very high89 Ų8956.2 Ų56.292%0.91833%0.334SS*.THydrogen-bonded Turntrans-90.73.4175.200000115.7E434E434-G436 PolarHBondContact O-N 2.94Å
437G87.9Confident93.5Very high26 Ų2656.2 Ų56.227%0.26833%0.334SS..EExtended strand (participates in β ladder)trans108.9-170.8-17700000114.2E434 R439E434-G437 PolarHBondContact N-O 3.24Å; E434-G437 PolarHBondContact O-N 2.86Å; G437-R439 PolarHBondContact O-N 3.05Å
438P92.8Very high93.6Very high87 Ų8753.5 Ų53.557%0.56532%0.324SS*.EExtended strand (participates in β ladder)trans-68.8127-179.827.6-32.8000111.1N431 V432 M433N431-P438 HydrophobicContact CB-CB 4.11Å; V432-P438 WeakPolarHBondContact O-CA 3.25Å; M433-P438 HydrophobicContact SD-CB 3.89Å
439R94.9Very high93.6Very high91 Ų9153.5 Ų53.534%0.34332%0.324SS..EExtended strand (participates in β ladder)trans-112.6132.4175.5-175.2174.960.775.4-3110.7N431 V432 E434 G437 F441N431-R439 CarbonylContact C-O 3.56Å; N431-R439 VanDerWaalsContact CA-O 3.23Å; N431-R439 WeakPolarHBondContact CA-O 3.46Å; V432-R439 HydrophobicContact CG2-CB 4.3Å; V432-R439 PolarHBondContact N-O 2.8Å; V432-R439 PolarHBondContact O-N 3.17Å; E434-R439 VanDerWaalsContact CD-NE 3.31Å; E434-R439 IonicContact OE1-CZ 2.83Å; E434-R439 IonicContact OE1-NE 3.8Å; E434-R439 PolarHBondContact OE1-NE 3.45Å; E434-R439 IonicContact OE1-NH2 3.75Å; E434-R439 PolarHBondContact OE1-NH2 3.03Å; E434-R439 IonicContact OE2-CZ 3.84Å; E434-R439 IonicContact OE2-NE 3.96Å; E434-R439 PolarHBondContact OE2-NE 2.93Å; E434-R439 IonicContact OE2-NH2 3.03Å; G437-R439 PolarHBondContact O-N 3.05Å; R439-F441 PolarHBondContact O-N 2.88Å
440P97.1Very high93.6Very high100 Ų10052.4 Ų52.465%0.64932%0.315SS*.EExtended strand (participates in β ladder)trans-55.3135.5172.4-26.134.8000111.9
441F97.3Very high93.5Very high34 Ų3452.5 Ų52.515%0.14932%0.315CS..EExtended strand (participates in β ladder)trans-147.1136.7-176.5-175.4-88.3000111N384 V386 A429 G430 V432 R439N384-F441 HydrophobicContact CB-CE1 4.5Å; N384-F441 HydrophobicContact CB-CZ 4.2Å; V386-F441 HydrophobicContact CB-CD1 4.42Å; V386-F441 HydrophobicContact CG1-CD1 4.05Å; V386-F441 HydrophobicContact CG2-CD1 3.47Å; V386-F441 VanDerWaalsContact CG2-CD1 3.47Å; V386-F441 HydrophobicContact CG2-CE1 3.59Å; A429-F441 WeakPolarHBondContact CA-O 3.47Å; G430-F441 PolarHBondContact N-O 3.35Å; G430-F441 PolarHBondContact O-N 3.36Å; G430-F441 VanDerWaalsContact O-O 3.1Å; V432-F441 HydrophobicContact CB-CB 4.39Å; V432-F441 HydrophobicContact CG1-CB 3.73Å; V432-F441 HydrophobicContact CG1-CD1 4Å; V432-F441 HydrophobicContact CG1-CD2 4.03Å; V432-F441 HydrophobicContact CG1-CG 3.65Å; V432-F441 HydrophobicContact CG2-CB 4.01Å; V432-F441 HydrophobicContact CG2-CD2 4.22Å; V432-F441 HydrophobicContact CG2-CG 4.34Å; R439-F441 PolarHBondContact O-N 2.88Å
442T97.5Very high93.4Very high98 Ų9851.5 Ų51.560%0.60131%0.31SS*.EExtended strand (participates in β ladder)trans-125.1119.2171.2-58.90000109.1G428 A429 S444G428-T442 CarbonylContact O-C 3.57Å; G428-T442 WeakPolarHBondContact O-CA 3.48Å; A429-T442 HydrophobicContact CB-CG2 4.24Å; T442-S444 PolarHBondContact O-N 3.03Å
443S97.1Very high93.4Very high4 Ų451.2 Ų51.23%0.02831%0.308CS..  trans-66.4121.8176.8175.20000111.1D323 G428 A445 K504D323-S443 WeakPolarHBondContact OD2-CA 3.4Å; D323-S443 WeakPolarHBondContact OD2-CB 3.45Å; D323-S443 PolarHBondContact OD2-OG 3.15Å; G428-S443 PolarHBondContact O-N 3.17Å; S443-A445 VanDerWaalsContact C-N 3.35Å; S443-A445 PolarHBondContact OG-N 2.77Å; S443-K504 PolarHBondContact O-NZ 2.92Å; S443-K504 VanDerWaalsContact O-NZ 3.1Å
444S94.8Very high93.7Very high64 Ų6446.2 Ų46.245%0.44828%0.283SS..  trans-88.2-1.1174.155.80000113.6S292 T442 K446S292-S444 WeakPolarHBondContact CB-OG 3.46Å; T442-S444 PolarHBondContact O-N 3.03Å; S444-K446 PolarHBondContact O-N 2.7Å
445A96.3Very high94.3Very high1 Ų142.9 Ų42.91%0.00827%0.268CS..  trans-60.2121.4179.200000111A293 A296 S443 K504A293-A445 WeakPolarHBondContact O-CA 3.39Å; A293-A445 PolarHBondContact O-N 3Å; A296-A445 HydrophobicContact CB-CB 3.75Å; S443-A445 VanDerWaalsContact C-N 3.35Å; S443-A445 PolarHBondContact OG-N 2.77Å; A445-K504 VanDerWaalsContact O-CD 3.28Å; A445-K504 WeakPolarHBondContact O-CD 3.26Å; A445-K504 VanDerWaalsContact O-CE 3.23Å; A445-K504 WeakPolarHBondContact O-CE 3.44Å; A445-K504 WeakPolarHBondContact O-CG 3.23Å
446K94.9Very high95.2Very high61 Ų6134.2 Ų34.227%0.26522%0.222SC..SBendtrans-78.2-27.5173.8-68-171.8176.3-167.90111.8D31 L54 M56 S444 K504 E505D31-K446 IonicContact OD1-NZ 3.53Å; D31-K446 IonicContact OD2-NZ 2.91Å; D31-K446 PolarHBondContact OD2-NZ 3.26Å; L54-K446 HydrophobicContact CD1-CD 4.02Å; M56-K446 HydrophobicContact CE-CB 4.17Å; M56-K446 HydrophobicContact SD-CB 3.97Å; M56-K446 HydrophobicContact SD-CD 4.24Å; S444-K446 PolarHBondContact O-N 2.7Å; K446-K504 CarbonylContact O-C 3.56Å; K446-K504 WeakPolarHBondContact O-CA 3.31Å; K446-E505 PolarHBondContact O-N 3.3Å
447V97.4Very high96.1Very high0 Ų030.3 Ų30.30%018%0.18CC..EExtended strand (participates in β ladder)trans-94.1128.4177.9172.20000110.5M56 R282 A285 S294 V295 A296 L449 R507M56-V447 HydrophobicContact CE-CG2 3.46Å; M56-V447 VanDerWaalsContact CE-CG2 3.46Å; R282-V447 WeakPolarHBondContact O-CG1 3.34Å; A285-V447 HydrophobicContact CB-CG2 3.71Å; S294-V447 PolarHBondContact O-N 2.84Å; V295-V447 HydrophobicContact CG1-CG1 4.36Å; V295-V447 HydrophobicContact CG2-CB 4.36Å; V295-V447 HydrophobicContact CG2-CG1 4.41Å; A296-V447 PolarHBondContact N-O 3.5Å; V447-L449 HydrophobicContact CG1-CD2 4.2Å; V447-R507 HydrophobicContact CG1-CG 4.29Å
448V98.4Very high96.6Very high0 Ų029.1 Ų29.10%017%0.167CC..EExtended strand (participates in β ladder)trans-122.4109.7175.2-178.10000109.7A296 L298 V499 K504 E505 A506 R507A296-V448 HydrophobicContact CB-CG2 4.42Å; A296-V448 CarbonylContact O-C 3.57Å; A296-V448 WeakPolarHBondContact O-CA 3.48Å; L298-V448 HydrophobicContact CD1-CG1 4.28Å; L298-V448 HydrophobicContact CD2-CG1 3.65Å; L298-V448 HydrophobicContact CG-CG1 3.53Å; V448-V499 HydrophobicContact CB-CG1 4.39Å; V448-V499 HydrophobicContact CG2-CG1 4.42Å; V448-K504 HydrophobicContact CG2-CB 3.97Å; V448-K504 HydrophobicContact CG2-CD 3.76Å; V448-K504 HydrophobicContact CG2-CG 4.41Å; V448-E505 PolarHBondContact N-O 2.85Å; V448-A506 WeakPolarHBondContact O-CA 3.49Å; V448-R507 PolarHBondContact O-N 2.92Å
449L98.8Very high96.8Very high0 Ų025 Ų250%014%0.141CC..EExtended strand (participates in β ladder)trans-75.3134.3172.9-58-174.4000110.3V279 R282 V283 V295 A296 V297 L298 L308 A312 V447 R507 P509V279-L449 HydrophobicContact CG1-CD1 4.32Å; R282-L449 HydrophobicContact CB-CD2 4Å; V283-L449 HydrophobicContact CG1-CD1 4.11Å; V295-L449 HydrophobicContact CG1-CD1 4.18Å; V295-L449 HydrophobicContact CG1-CG 4.06Å; A296-L449 PolarHBondContact O-N 3.1Å; V297-L449 HydrophobicContact CG2-CB 4.33Å; V297-L449 HydrophobicContact CG2-CD1 4.39Å; L298-L449 PolarHBondContact N-O 3.22Å; L308-L449 HydrophobicContact CD1-CB 4.45Å; A312-L449 HydrophobicContact CB-CD1 4.02Å; V447-L449 HydrophobicContact CG1-CD2 4.2Å; L449-R507 HydrophobicContact CD2-CB 4.03Å; L449-P509 HydrophobicContact CD2-CG 4.15Å
450T97.6Very high96.8Very high2 Ų220.7 Ų20.71%0.01213%0.125CC..  trans-122145179.686.20000111.4L298 L308 I452 A506 R507 F508L298-T450 HydrophobicContact CD1-CG2 3.97Å; L298-T450 HydrophobicContact CG-CG2 4.47Å; L308-T450 VanDerWaalsContact CD1-C 3.49Å; L308-T450 WeakPolarHBondContact CD1-O 3.33Å; T450-I452 HydrophobicContact CG2-CD1 4.45Å; T450-I452 PolarHBondContact O-N 3.17Å; T450-A506 HydrophobicContact CG2-CB 4.1Å; T450-R507 PolarHBondContact N-O 2.65Å; T450-F508 HydrophobicContact CG2-CE1 4.43Å; T450-F508 WeakPolarHBondContact OG1-CD1 3.4Å
451G96.9Very high96.7Very high17 Ų1718.6 Ų18.618%0.17510%0.104CC..  trans-80.47.717400000114.7A454G451-A454 WeakPolarHBondContact O-CB 3.37Å; G451-A454 PolarHBondContact O-N 2.85Å
452I95Very high96.4Very high29 Ų2920.3 Ų20.315%0.14912%0.121CC..THydrogen-bonded Turntrans-65.9141.1-177.4-64.2159.3000109.7T450 N491 L492 D495 F508T450-I452 HydrophobicContact CG2-CD1 4.45Å; T450-I452 PolarHBondContact O-N 3.17Å; I452-N491 HydrophobicContact CG2-CB 4.45Å; I452-L492 HydrophobicContact CG2-CD2 3.69Å; I452-D495 HydrophobicContact CD1-CB 3.92Å; I452-D495 WeakPolarHBondContact CD1-OD2 3.48Å; I452-F508 HydrophobicContact CB-CD1 4.12Å; I452-F508 HydrophobicContact CB-CE1 4.35Å; I452-F508 HydrophobicContact CD1-CE1 3.98Å; I452-F508 HydrophobicContact CG2-CD1 4.46Å
453G96.1Very high96.2Very high0 Ų019.3 Ų19.30%011%0.106CC..THydrogen-bonded Turntrans94.8-17.3-175.400000113.7E456 Q457G453-E456 VanDerWaalsContact C-OE2 3.27Å; G453-E456 WeakPolarHBondContact CA-OE2 3.41Å; G453-E456 PolarHBondContact N-OE2 3.42Å; G453-Q457 WeakPolarHBondContact O-CG 3.47Å; G453-Q457 PolarHBondContact O-N 3.42Å; G453-Q457 PolarHBondContact O-NE2 2.98Å
454A97.7Very high96.1Very high0 Ų019.1 Ų19.10%010%0.104CC..Hα-helixtrans-70.9-40.9177.800000112.2D304 G451 L458 Y510D304-A454 HydrophobicContact CB-CB 4.29Å; G451-A454 WeakPolarHBondContact O-CB 3.37Å; G451-A454 PolarHBondContact O-N 2.85Å; A454-L458 VanDerWaalsContact O-CB 3.28Å; A454-L458 WeakPolarHBondContact O-CB 3.37Å; A454-L458 PolarHBondContact O-N 3.31Å; A454-L458 VanDerWaalsContact O-N 3.14Å; A454-Y510 HydrophobicContact CB-CD1 3.92Å; A454-Y510 HydrophobicContact CB-CD2 3.85Å; A454-Y510 HydrophobicContact CB-CE1 4.07Å; A454-Y510 HydrophobicContact CB-CE2 4Å; A454-Y510 HydrophobicContact CB-CG 3.81Å
455D97Very high96.1Very high13 Ų1316.8 Ų16.87%0.079%0.086CC..Hα-helixtrans-66.1-42.2-177.8-75.6-58.3000111.8Q457 A459 G460 Y461 H464 K539 K559D455-Q457 VanDerWaalsContact C-N 3.32Å; D455-Q457 PolarHBondContact O-N 3.06Å; D455-A459 PolarHBondContact O-N 2.78Å; D455-G460 PolarHBondContact O-N 2.84Å; D455-G460 VanDerWaalsContact OD1-CA 3.3Å; D455-G460 WeakPolarHBondContact OD1-CA 3.49Å; D455-Y461 HydrophobicContact CB-CD1 4.02Å; D455-Y461 HydrophobicContact CB-CD2 4Å; D455-Y461 HydrophobicContact CB-CE1 3.59Å; D455-Y461 HydrophobicContact CB-CE2 3.56Å; D455-Y461 HydrophobicContact CB-CG 4.21Å; D455-H464 PolarHBondContact O-CE1 3.03Å; D455-K539 WeakPolarHBondContact OD1-CE 3.4Å; D455-K539 IonicContact OD1-NZ 2.82Å; D455-K539 PolarHBondContact OD1-NZ 2.93Å; D455-K539 IonicContact OD2-NZ 2.84Å; D455-K559 VanDerWaalsContact CG-NZ 3.31Å; D455-K559 WeakPolarHBondContact OD1-CE 3.34Å; D455-K559 IonicContact OD1-NZ 3.16Å; D455-K559 PolarHBondContact OD1-NZ 2.88Å; D455-K559 VanDerWaalsContact OD1-NZ 3.09Å; D455-K559 VanDerWaalsContact OD2-CE 3.28Å; D455-K559 WeakPolarHBondContact OD2-CE 3.38Å; D455-K559 IonicContact OD2-NZ 2.67Å; D455-K559 PolarHBondContact OD2-NZ 3.48Å
456E95.8Very high96Very high3 Ų320.7 Ų20.71%0.01411%0.109CC..Hα-helixtrans-68.9-27.8-176.7-63.175.9-170.800112.7G453 Y461 L480 E483 L484 I487G453-E456 VanDerWaalsContact C-OE2 3.27Å; G453-E456 WeakPolarHBondContact CA-OE2 3.41Å; G453-E456 PolarHBondContact N-OE2 3.42Å; E456-Y461 HydrophobicContact CG-CE2 4.12Å; E456-Y461 PolarHBondContact OE1-OH 2.87Å; E456-L480 VanDerWaalsContact O-CD2 3.28Å; E456-L480 WeakPolarHBondContact O-CD2 3.45Å; E456-E483 WeakPolarHBondContact CA-OE2 3.28Å; E456-E483 HydrophobicContact CB-CB 4.28Å; E456-E483 HydrophobicContact CG-CB 4.12Å; E456-L484 HydrophobicContact CB-CD2 3.8Å; E456-L484 HydrophobicContact CB-CG 4.45Å; E456-I487 HydrophobicContact CB-CD1 4.46Å; E456-I487 HydrophobicContact CG-CD1 3.98Å; E456-I487 HydrophobicContact CG-CG1 4.43Å
457Q97.4Very high95.9Very high6 Ų622 Ų223%0.02811%0.112CC..Hα-helixtrans-96.5-27.1-178.7-66.4178.384.200113.5G453 D455 L484 Y510 L519G453-Q457 WeakPolarHBondContact O-CG 3.47Å; G453-Q457 PolarHBondContact O-N 3.42Å; G453-Q457 PolarHBondContact O-NE2 2.98Å; D455-Q457 VanDerWaalsContact C-N 3.32Å; D455-Q457 PolarHBondContact O-N 3.06Å; Q457-L484 HydrophobicContact CG-CD1 4.44Å; Q457-L484 HydrophobicContact CG-CD2 3.66Å; Q457-Y510 PolarHBondContact NE2-O 2.81Å; Q457-L519 HydrophobicContact CB-CD1 3.92Å
458L97.6Very high95.8Very high1 Ų123.2 Ų23.21%0.00512%0.118CC..THydrogen-bonded Turntrans-118.820.1-169-63.5156.8000112.9A454 L519 K527 K539 L541 L542A454-L458 VanDerWaalsContact O-CB 3.28Å; A454-L458 WeakPolarHBondContact O-CB 3.37Å; A454-L458 PolarHBondContact O-N 3.31Å; A454-L458 VanDerWaalsContact O-N 3.14Å; L458-L519 HydrophobicContact CD1-CD1 4.44Å; L458-L519 HydrophobicContact CD2-CD1 4.42Å; L458-L519 HydrophobicContact CD2-CD2 3.79Å; L458-L519 HydrophobicContact CG-CD1 4.32Å; L458-K527 HydrophobicContact CD2-CB 4.15Å; L458-K527 HydrophobicContact CD2-CG 4.32Å; L458-K539 HydrophobicContact CB-CB 4.09Å; L458-K539 HydrophobicContact CB-CG 4Å; L458-K539 WeakPolarHBondContact O-CA 3.45Å; L458-K539 PolarHBondContact O-N 3.47Å; L458-L541 HydrophobicContact CD2-CB 4.29Å; L458-L541 HydrophobicContact CD2-CD2 4.46Å; L458-L542 HydrophobicContact CD1-CB 3.93Å; L458-L542 HydrophobicContact CD1-CD1 4.27Å; L458-L542 HydrophobicContact CD1-CD2 3.98Å; L458-L542 HydrophobicContact CD1-CG 4.28Å
459A97.1Very high95.5Very high1 Ų129 Ų291%0.00815%0.145CC..THydrogen-bonded Turntrans55.752.5178.400000114.1D455 H464 L476 L480 A528 L530 E538D455-A459 PolarHBondContact O-N 2.78Å; A459-H464 WeakPolarHBondContact CA-ND1 3.33Å; A459-H464 HydrophobicContact CB-CB 4.13Å; A459-L476 HydrophobicContact CB-CD1 4.03Å; A459-L476 HydrophobicContact CB-CD2 4.39Å; A459-L480 HydrophobicContact CB-CD1 4.48Å; A459-L480 HydrophobicContact CB-CD2 4.23Å; A459-A528 HydrophobicContact CB-CB 3.65Å; A459-L530 HydrophobicContact CB-CD1 4.3Å; A459-E538 WeakPolarHBondContact O-CB 3.46Å
460G95.8Very high95.2Very high1 Ų134.1 Ų34.11%0.0118%0.176CC..  trans-85.4-25.1-174.600000117.2D455 H464 K559D455-G460 PolarHBondContact O-N 2.84Å; D455-G460 VanDerWaalsContact OD1-CA 3.3Å; D455-G460 WeakPolarHBondContact OD1-CA 3.49Å; G460-H464 PolarHBondContact N-ND1 3.24Å; G460-K559 WeakPolarHBondContact O-CG 3.43Å
461Y94Very high95Very high56 Ų5636.3 Ų36.322%0.2219%0.194CC..SBendtrans-79.7146.8-177.9-60.6-55000113.3D455 E456 R463 H464 E483D455-Y461 HydrophobicContact CB-CD1 4.02Å; D455-Y461 HydrophobicContact CB-CD2 4Å; D455-Y461 HydrophobicContact CB-CE1 3.59Å; D455-Y461 HydrophobicContact CB-CE2 3.56Å; D455-Y461 HydrophobicContact CB-CG 4.21Å; E456-Y461 HydrophobicContact CG-CE2 4.12Å; E456-Y461 PolarHBondContact OE1-OH 2.87Å; Y461-R463 PolarHBondContact O-N 3.46Å; Y461-R463 VanDerWaalsContact O-N 3.12Å; Y461-H464 AromaticContact CD2-CE1 3.36Å; Y461-H464 WeakPolarHBondContact CD2-CE1 3.5Å; Y461-H464 AromaticContact CD2-NE2 3.77Å; Y461-H464 AromaticContact CG-CE1 3.93Å; Y461-H464 PolarHBondContact N-ND1 3.45Å; Y461-H464 VanDerWaalsContact N-ND1 3.13Å; Y461-H464 VanDerWaalsContact O-CB 3.24Å; Y461-H464 WeakPolarHBondContact O-CB 3.48Å; Y461-H464 PolarHBondContact O-N 2.96Å; Y461-E483 WeakPolarHBondContact CD2-OE1 3.28Å; Y461-E483 WeakPolarHBondContact CD2-OE2 2.89Å; Y461-E483 VanDerWaalsContact CE2-OE1 3.32Å; Y461-E483 WeakPolarHBondContact CE2-OE1 3.28Å
462S91.7Very high94.7Very high70 Ų7036.9 Ų36.949%0.4920%0.2SC..Hα-helixtrans-56.3-32.1176.1-52.90000113H464 R465 V466 R534S462-H464 PolarHBondContact O-N 3.39Å; S462-R465 PolarHBondContact O-N 3.33Å; S462-V466 PolarHBondContact O-N 3.37Å; S462-R534 PolarHBondContact OG-NH2 3.12Å
463R92.5Very high94.6Very high77 Ų7736.7 Ų36.729%0.29120%0.199SC..Hα-helixtrans-63.9-27.6177.467.8-170.1-105.5-129.4-17113.1Y461 R465 V466 R467 E479 E483Y461-R463 PolarHBondContact O-N 3.46Å; Y461-R463 VanDerWaalsContact O-N 3.12Å; R463-R465 VanDerWaalsContact C-N 3.34Å; R463-V466 PolarHBondContact O-N 2.92Å; R463-R467 WeakPolarHBondContact O-CB 3.12Å; R463-R467 VanDerWaalsContact O-CG 3.28Å; R463-R467 WeakPolarHBondContact O-CG 3.49Å; R463-R467 PolarHBondContact O-N 3.01Å; R463-E479 IonicContact CZ-OE1 2.65Å; R463-E479 IonicContact NE-OE1 3.02Å; R463-E479 PolarHBondContact NE-OE1 3.03Å; R463-E479 IonicContact NH2-OE1 3.56Å; R463-E479 PolarHBondContact NH2-OE1 3.5Å; R463-E483 IonicContact CZ-OE1 2.78Å; R463-E483 IonicContact NE-OE1 3.27Å; R463-E483 IonicContact NH1-OE1 3.09Å; R463-E483 PolarHBondContact NH1-OE1 2.66Å; R463-E483 IonicContact NH2-OE1 3.2Å; R463-E483 PolarHBondContact NH2-OE1 2.73Å
464H95.8Very high94.5Very high0 Ų041.4 Ų41.40%022%0.217CC..Hα-helixtrans-62.8-43.7174.8-60.4153000111.5D455 A459 G460 Y461 S462 R467 F468 L476 E483 L530D455-H464 PolarHBondContact O-CE1 3.03Å; A459-H464 WeakPolarHBondContact CA-ND1 3.33Å; A459-H464 HydrophobicContact CB-CB 4.13Å; G460-H464 PolarHBondContact N-ND1 3.24Å; Y461-H464 AromaticContact CD2-CE1 3.36Å; Y461-H464 WeakPolarHBondContact CD2-CE1 3.5Å; Y461-H464 AromaticContact CD2-NE2 3.77Å; Y461-H464 AromaticContact CG-CE1 3.93Å; Y461-H464 PolarHBondContact N-ND1 3.45Å; Y461-H464 VanDerWaalsContact N-ND1 3.13Å; Y461-H464 VanDerWaalsContact O-CB 3.24Å; Y461-H464 WeakPolarHBondContact O-CB 3.48Å; Y461-H464 PolarHBondContact O-N 2.96Å; S462-H464 PolarHBondContact O-N 3.39Å; H464-R467 PolarHBondContact O-N 2.87Å; H464-F468 WeakPolarHBondContact O-CB 3.49Å; H464-F468 PolarHBondContact O-N 3.48Å; H464-L476 HydrophobicContact CB-CD1 3.64Å; H464-E483 IonicContact CE1-OE2 3.99Å; H464-E483 PolarHBondContact CE1-OE2 2.9Å; H464-E483 IonicContact NE2-OE1 3.66Å; H464-E483 PolarHBondContact NE2-OE1 2.68Å; H464-E483 IonicContact NE2-OE2 2.76Å; H464-E483 PolarHBondContact NE2-OE2 3.46Å; H464-L530 HydrophobicContact CB-CD1 4.08Å
465R94Very high94.4Very high15 Ų1541.5 Ų41.56%0.05722%0.218CC..Hα-helixtrans-63.8-42.7175.5-173.6175.2-71.5-87.76.4111.5S462 R463 R467 F468 Q469 L530 L532 E538S462-R465 PolarHBondContact O-N 3.33Å; R463-R465 VanDerWaalsContact C-N 3.34Å; R465-R467 PolarHBondContact O-N 2.9Å; R465-F468 PolarHBondContact O-N 3.2Å; R465-Q469 WeakPolarHBondContact O-CB 3.22Å; R465-Q469 VanDerWaalsContact O-CG 3.26Å; R465-Q469 WeakPolarHBondContact O-CG 3.38Å; R465-Q469 PolarHBondContact O-N 2.95Å; R465-L530 HydrophobicContact CB-CD1 4.37Å; R465-L530 PolarHBondContact NH1-O 3.15Å; R465-L532 VanDerWaalsContact CZ-O 3.28Å; R465-L532 PolarHBondContact NH1-O 2.76Å; R465-L532 PolarHBondContact NH2-O 2.97Å; R465-E538 IonicContact CZ-OE1 3.67Å; R465-E538 IonicContact CZ-OE2 3.93Å; R465-E538 IonicContact NE-OE1 3.11Å; R465-E538 PolarHBondContact NE-OE1 3.4Å; R465-E538 VanDerWaalsContact NE-OE1 3.11Å; R465-E538 IonicContact NH2-OE1 3.38Å; R465-E538 PolarHBondContact NH2-OE1 3.44Å; R465-E538 IonicContact NH2-OE2 2.94Å; R465-E538 PolarHBondContact NH2-OE2 3.35Å
466V93.7Very high94.3Very high82 Ų8240.9 Ų40.950%0.49722%0.215SC..Hα-helixtrans-60.7-44.9175.6176.20000111.5S462 R463 Q469 T470S462-V466 PolarHBondContact O-N 3.37Å; R463-V466 PolarHBondContact O-N 2.92Å; V466-Q469 PolarHBondContact O-N 3.39Å; V466-T470 WeakPolarHBondContact O-CB 3.45Å; V466-T470 PolarHBondContact O-N 3.33Å; V466-T470 VanDerWaalsContact O-N 3.09Å; V466-T470 PolarHBondContact O-OG1 3.48Å
467R94.5Very high94.3Very high88 Ų8841 Ų4133%0.33222%0.215SC..Hα-helixtrans-67-41.2178.3-67.9-71-76.8154.54.7111.8R463 H464 R465 T470 A471 E479R463-R467 WeakPolarHBondContact O-CB 3.12Å; R463-R467 VanDerWaalsContact O-CG 3.28Å; R463-R467 WeakPolarHBondContact O-CG 3.49Å; R463-R467 PolarHBondContact O-N 3.01Å; H464-R467 PolarHBondContact O-N 2.87Å; R465-R467 PolarHBondContact O-N 2.9Å; R467-T470 PolarHBondContact O-N 3.16Å; R467-A471 PolarHBondContact O-N 3.14Å; R467-E479 HydrophobicContact CB-CB 4.42Å; R467-E479 HydrophobicContact CB-CG 4.43Å; R467-E479 HydrophobicContact CG-CB 4.34Å; R467-E479 HydrophobicContact CG-CG 3.96Å; R467-E479 WeakPolarHBondContact CG-OE2 3.44Å; R467-E479 IonicContact CZ-OE2 3.84Å; R467-E479 IonicContact NE-OE2 2.91Å; R467-E479 PolarHBondContact NE-OE2 3.26Å
468F94.1Very high94.1Very high26 Ų2645.6 Ų45.611%0.11424%0.237CC..Hα-helixtrans-59.9-45.3172.6171.6-98.2000112.6H464 R465 T470 G472 L473 L476 L530H464-F468 WeakPolarHBondContact O-CB 3.49Å; H464-F468 PolarHBondContact O-N 3.48Å; R465-F468 PolarHBondContact O-N 3.2Å; F468-T470 PolarHBondContact O-N 3.03Å; F468-G472 WeakPolarHBondContact O-CA 3.44Å; F468-G472 PolarHBondContact O-N 3.41Å; F468-L473 HydrophobicContact CD2-CD2 3.99Å; F468-L473 HydrophobicContact CE2-CD2 3.64Å; F468-L473 HydrophobicContact CE2-CG 4.04Å; F468-L476 HydrophobicContact CB-CB 4.41Å; F468-L530 HydrophobicContact CB-CB 4.13Å; F468-L530 HydrophobicContact CB-CD1 3.83Å; F468-L530 HydrophobicContact CD1-CB 3.48Å; F468-L530 VanDerWaalsContact CD1-CB 3.48Å; F468-L530 HydrophobicContact CD2-CB 4.38Å; F468-L530 VanDerWaalsContact CE1-C 3.47Å; F468-L530 HydrophobicContact CE1-CB 3.93Å; F468-L530 HydrophobicContact CG-CB 3.73Å; F468-L530 HydrophobicContact CG-CD1 4.27Å
469Q91.9Very high94Very high123 Ų12346.5 Ų46.558%0.57524%0.241SC*.Hα-helixtrans-63.3-30.4177.4-74.6169.5-23.500112.6R465 V466R465-Q469 WeakPolarHBondContact O-CB 3.22Å; R465-Q469 VanDerWaalsContact O-CG 3.26Å; R465-Q469 WeakPolarHBondContact O-CG 3.38Å; R465-Q469 PolarHBondContact O-N 2.95Å; V466-Q469 PolarHBondContact O-N 3.39Å
470T93Very high93.9Very high107 Ų10746.6 Ų46.666%0.65624%0.241SC*.Hα-helixtrans-88-37.8-176.8-52.10000112.7V466 R467 F468V466-T470 WeakPolarHBondContact O-CB 3.45Å; V466-T470 PolarHBondContact O-N 3.33Å; V466-T470 VanDerWaalsContact O-N 3.09Å; V466-T470 PolarHBondContact O-OG1 3.48Å; R467-T470 PolarHBondContact O-N 3.16Å; F468-T470 PolarHBondContact O-N 3.03Å
471A93.2Very high93.8Very high47 Ų4747.9 Ų47.939%0.38825%0.25SS..Hα-helixtrans-137.415.3-167.300000113.7R467 G475R467-A471 PolarHBondContact O-N 3.14Å; A471-G475 PolarHBondContact O-N 3.13Å; A471-G475 VanDerWaalsContact O-N 3.12Å
472G91.8Very high93.7Very high29 Ų2948.6 Ų48.630%0.29926%0.256SS..Hα-helixtrans62.6-157.617700000114.1F468 R474 G475 L476F468-G472 WeakPolarHBondContact O-CA 3.44Å; F468-G472 PolarHBondContact O-N 3.41Å; G472-R474 VanDerWaalsContact C-N 3.31Å; G472-R474 PolarHBondContact O-N 3.27Å; G472-G475 PolarHBondContact O-N 2.92Å; G472-L476 PolarHBondContact O-N 3.25Å; G472-L476 VanDerWaalsContact O-N 3.12Å
473L92.9Very high93.7Very high25 Ų2545.6 Ų45.613%0.13124%0.235CC..Hα-helixtrans-64.4-32.5-179.5-67.1174.7000113L237 P238 F468 L476 L477 V524 W525L237-L473 HydrophobicContact CD2-CB 3.7Å; P238-L473 HydrophobicContact CG-CD1 3.69Å; F468-L473 HydrophobicContact CD2-CD2 3.99Å; F468-L473 HydrophobicContact CE2-CD2 3.64Å; F468-L473 HydrophobicContact CE2-CG 4.04Å; L473-L476 PolarHBondContact O-N 2.91Å; L473-L477 WeakPolarHBondContact O-CG 3.49Å; L473-L477 PolarHBondContact O-N 3.14Å; L473-V524 HydrophobicContact CB-CG1 4.29Å; L473-V524 HydrophobicContact CD2-CG1 4.04Å; L473-W525 HydrophobicContact CD1-CB 4.47Å; L473-W525 HydrophobicContact CD1-CE3 4.22Å
474R94.1Very high93.7Very high100 Ų10043.8 Ų43.838%0.37723%0.23SC..Hα-helixtrans-63.5-50176.2178.759.766.5-174.1-2.8110.8E235 L237 G472 L476 L477 E478E235-R474 IonicContact OE2-NH1 2.83Å; L237-R474 HydrophobicContact CD1-CB 4.17Å; L237-R474 VanDerWaalsContact CD1-NH2 3.3Å; G472-R474 VanDerWaalsContact C-N 3.31Å; G472-R474 PolarHBondContact O-N 3.27Å; R474-L476 PolarHBondContact O-N 3.42Å; R474-L477 WeakPolarHBondContact O-CB 3.49Å; R474-L477 PolarHBondContact O-N 3.46Å; R474-L477 VanDerWaalsContact O-N 3.12Å; R474-E478 WeakPolarHBondContact CG-OE1 3.29Å; R474-E478 WeakPolarHBondContact O-CG 3.29Å; R474-E478 PolarHBondContact O-N 2.88Å
475G94.5Very high93.3Very high1 Ų145.6 Ų45.61%0.0125%0.249CC..Hα-helixtrans-63.6-30.4176.900000113.4A471 G472 E479A471-G475 PolarHBondContact O-N 3.13Å; A471-G475 VanDerWaalsContact O-N 3.12Å; G472-G475 PolarHBondContact O-N 2.92Å; G475-E479 WeakPolarHBondContact O-CB 3.38Å; G475-E479 PolarHBondContact O-N 3.5Å
476L95.5Very high93.1Very high1 Ų148.6 Ų48.61%0.00526%0.26CS..Hα-helixtrans-66.5-46.2170.8177.460.5000111.9A459 H464 F468 G472 L473 R474 E479 L480 V524 L530A459-L476 HydrophobicContact CB-CD1 4.03Å; A459-L476 HydrophobicContact CB-CD2 4.39Å; H464-L476 HydrophobicContact CB-CD1 3.64Å; F468-L476 HydrophobicContact CB-CB 4.41Å; G472-L476 PolarHBondContact O-N 3.25Å; G472-L476 VanDerWaalsContact O-N 3.12Å; L473-L476 PolarHBondContact O-N 2.91Å; R474-L476 PolarHBondContact O-N 3.42Å; L476-E479 WeakPolarHBondContact O-CB 3.25Å; L476-E479 PolarHBondContact O-N 3.13Å; L476-L480 HydrophobicContact CD1-CD1 4.19Å; L476-L480 HydrophobicContact CD1-CD2 4.36Å; L476-L480 HydrophobicContact CD1-CG 4.09Å; L476-L480 HydrophobicContact CG-CD1 4.12Å; L476-L480 HydrophobicContact CG-CG 4.43Å; L476-L480 WeakPolarHBondContact O-CG 3.42Å; L476-L480 PolarHBondContact O-N 3.2Å; L476-V524 HydrophobicContact CD2-CG2 3.62Å; L476-V524 HydrophobicContact CG-CG2 3.98Å; L476-L530 HydrophobicContact CD1-CD1 4.01Å; L476-L530 HydrophobicContact CD2-CD1 3.82Å; L476-L530 HydrophobicContact CD2-CG 4.41Å
477L94.5Very high93.1Very high5 Ų544.8 Ų44.83%0.02624%0.237CC..Hα-helixtrans-58.5-47.7177.8-80.1168.2000112.1L233 L237 L473 R474 E479 L480 S481 V524L233-L477 HydrophobicContact CD2-CD2 3.78Å; L233-L477 HydrophobicContact CG-CD2 4.23Å; L237-L477 HydrophobicContact CD2-CD1 3.73Å; L237-L477 HydrophobicContact CG-CD1 4.43Å; L473-L477 WeakPolarHBondContact O-CG 3.49Å; L473-L477 PolarHBondContact O-N 3.14Å; R474-L477 WeakPolarHBondContact O-CB 3.49Å; R474-L477 PolarHBondContact O-N 3.46Å; R474-L477 VanDerWaalsContact O-N 3.12Å; L477-E479 VanDerWaalsContact C-N 3.27Å; L477-E479 PolarHBondContact O-N 3.48Å; L477-L480 PolarHBondContact O-N 3.33Å; L477-S481 PolarHBondContact O-N 2.98Å; L477-V524 HydrophobicContact CD1-CG1 4.19Å; L477-V524 HydrophobicContact CD2-CB 3.67Å; L477-V524 HydrophobicContact CD2-CG1 3.9Å; L477-V524 HydrophobicContact CD2-CG2 4.32Å; L477-V524 HydrophobicContact CG-CB 4.09Å; L477-V524 HydrophobicContact CG-CG1 3.79Å
478E94.1Very high93Very high103 Ų10341.3 Ų41.348%0.48123%0.227SC..Hα-helixtrans-58.2-41.5176.6-70.1167.1-170.100111.5R474 M482R474-E478 WeakPolarHBondContact CG-OE1 3.29Å; R474-E478 WeakPolarHBondContact O-CG 3.29Å; R474-E478 PolarHBondContact O-N 2.88Å; E478-M482 WeakPolarHBondContact O-CB 3.42Å; E478-M482 PolarHBondContact O-N 3.06Å
479E95.7Very high92.6Very high20 Ų2042.4 Ų42.49%0.09324%0.237CC..Hα-helixtrans-64.8-44.7178.2-166.471.5-166.100111.9R463 R467 G475 L476 L477 M482 E483R463-E479 IonicContact CZ-OE1 2.65Å; R463-E479 IonicContact NE-OE1 3.02Å; R463-E479 PolarHBondContact NE-OE1 3.03Å; R463-E479 IonicContact NH2-OE1 3.56Å; R463-E479 PolarHBondContact NH2-OE1 3.5Å; R467-E479 HydrophobicContact CB-CB 4.42Å; R467-E479 HydrophobicContact CB-CG 4.43Å; R467-E479 HydrophobicContact CG-CB 4.34Å; R467-E479 HydrophobicContact CG-CG 3.96Å; R467-E479 WeakPolarHBondContact CG-OE2 3.44Å; R467-E479 IonicContact CZ-OE2 3.84Å; R467-E479 IonicContact NE-OE2 2.91Å; R467-E479 PolarHBondContact NE-OE2 3.26Å; G475-E479 WeakPolarHBondContact O-CB 3.38Å; G475-E479 PolarHBondContact O-N 3.5Å; L476-E479 WeakPolarHBondContact O-CB 3.25Å; L476-E479 PolarHBondContact O-N 3.13Å; L477-E479 VanDerWaalsContact C-N 3.27Å; L477-E479 PolarHBondContact O-N 3.48Å; E479-M482 PolarHBondContact O-N 3.3Å; E479-M482 WeakPolarHBondContact OE1-CE 3.38Å; E479-E483 WeakPolarHBondContact O-CG 3.44Å; E479-E483 PolarHBondContact O-N 3.38Å
480L95.4Very high92.5Very high2 Ų241.5 Ų41.51%0.0123%0.229CC..Hα-helixtrans-67.7-43.1178.9-63174.5000111.7L233 E456 A459 L476 L477 M482 E483 L484 V524L233-L480 HydrophobicContact CD2-CB 4.48Å; E456-L480 VanDerWaalsContact O-CD2 3.28Å; E456-L480 WeakPolarHBondContact O-CD2 3.45Å; A459-L480 HydrophobicContact CB-CD1 4.48Å; A459-L480 HydrophobicContact CB-CD2 4.23Å; L476-L480 HydrophobicContact CD1-CD1 4.19Å; L476-L480 HydrophobicContact CD1-CD2 4.36Å; L476-L480 HydrophobicContact CD1-CG 4.09Å; L476-L480 HydrophobicContact CG-CD1 4.12Å; L476-L480 HydrophobicContact CG-CG 4.43Å; L476-L480 WeakPolarHBondContact O-CG 3.42Å; L476-L480 PolarHBondContact O-N 3.2Å; L477-L480 PolarHBondContact O-N 3.33Å; L480-M482 VanDerWaalsContact C-N 3.35Å; L480-M482 PolarHBondContact O-N 2.62Å; L480-E483 PolarHBondContact O-N 2.91Å; L480-L484 WeakPolarHBondContact O-CG 3.45Å; L480-L484 PolarHBondContact O-N 2.89Å; L480-V524 HydrophobicContact CD1-CG2 3.82Å
481S93.2Very high92.4Very high29 Ų2937.8 Ų37.820%0.20321%0.205CC..Hα-helixtrans-58.3-47.5175.1168.10000110.7D202 L477 E483 L484 G485D202-S481 PolarHBondContact OD1-OG 3.5Å; L477-S481 PolarHBondContact O-N 2.98Å; S481-E483 VanDerWaalsContact C-N 3.32Å; S481-E483 PolarHBondContact O-N 3.21Å; S481-L484 PolarHBondContact O-N 2.98Å; S481-G485 PolarHBondContact O-N 2.75Å
482M91.9Very high92.5Very high71 Ų7135.5 Ų35.535%0.3519%0.186SC..Hα-helixtrans-60.6-37.8176.5176.7-91.2-65.900113.1E478 E479 L480 R486E478-M482 WeakPolarHBondContact O-CB 3.42Å; E478-M482 PolarHBondContact O-N 3.06Å; E479-M482 PolarHBondContact O-N 3.3Å; E479-M482 WeakPolarHBondContact OE1-CE 3.38Å; L480-M482 VanDerWaalsContact C-N 3.35Å; L480-M482 PolarHBondContact O-N 2.62Å; M482-R486 VanDerWaalsContact O-CG 3.3Å; M482-R486 WeakPolarHBondContact O-CG 3.43Å; M482-R486 PolarHBondContact O-N 3.49Å; M482-R486 PolarHBondContact SD-NE 3.35Å; M482-R486 VanDerWaalsContact SD-NE 3.44Å; M482-R486 PolarHBondContact SD-NH1 3.46Å; M482-R486 VanDerWaalsContact SD-NH1 3.4Å
483E92.1Very high92.6Very high7 Ų734.1 Ų34.13%0.03317%0.172CC..Hα-helixtrans-66.2-46.4175.4-75.4-161.214200113.2E456 Y461 R463 H464 E479 L480 S481 G485 R486 I487E456-E483 WeakPolarHBondContact CA-OE2 3.28Å; E456-E483 HydrophobicContact CB-CB 4.28Å; E456-E483 HydrophobicContact CG-CB 4.12Å; Y461-E483 WeakPolarHBondContact CD2-OE1 3.28Å; Y461-E483 WeakPolarHBondContact CD2-OE2 2.89Å; Y461-E483 VanDerWaalsContact CE2-OE1 3.32Å; Y461-E483 WeakPolarHBondContact CE2-OE1 3.28Å; R463-E483 IonicContact CZ-OE1 2.78Å; R463-E483 IonicContact NE-OE1 3.27Å; R463-E483 IonicContact NH1-OE1 3.09Å; R463-E483 PolarHBondContact NH1-OE1 2.66Å; R463-E483 IonicContact NH2-OE1 3.2Å; R463-E483 PolarHBondContact NH2-OE1 2.73Å; H464-E483 IonicContact CE1-OE2 3.99Å; H464-E483 PolarHBondContact CE1-OE2 2.9Å; H464-E483 IonicContact NE2-OE1 3.66Å; H464-E483 PolarHBondContact NE2-OE1 2.68Å; H464-E483 IonicContact NE2-OE2 2.76Å; H464-E483 PolarHBondContact NE2-OE2 3.46Å; E479-E483 WeakPolarHBondContact O-CG 3.44Å; E479-E483 PolarHBondContact O-N 3.38Å; L480-E483 PolarHBondContact O-N 2.91Å; S481-E483 VanDerWaalsContact C-N 3.32Å; S481-E483 PolarHBondContact O-N 3.21Å; E483-G485 VanDerWaalsContact C-N 3.33Å; E483-G485 PolarHBondContact O-N 3.07Å; E483-R486 PolarHBondContact O-N 3.32Å; E483-I487 PolarHBondContact O-N 3.29Å
484L91.2Very high92.7Very high38 Ų3833 Ų3320%0.19917%0.166CC..Hα-helixtrans-62.4-42.5177.8-68.2173.3000111E456 Q457 L480 S481 R486 I487E456-L484 HydrophobicContact CB-CD2 3.8Å; E456-L484 HydrophobicContact CB-CG 4.45Å; Q457-L484 HydrophobicContact CG-CD1 4.44Å; Q457-L484 HydrophobicContact CG-CD2 3.66Å; L480-L484 WeakPolarHBondContact O-CG 3.45Å; L480-L484 PolarHBondContact O-N 2.89Å; S481-L484 PolarHBondContact O-N 2.98Å; L484-R486 PolarHBondContact O-N 2.83Å; L484-I487 VanDerWaalsContact O-CG2 3.25Å; L484-I487 WeakPolarHBondContact O-CG2 3.43Å; L484-I487 PolarHBondContact O-N 3.47Å
485G88.8Confident92.8Very high38 Ų3828.4 Ų28.439%0.39215%0.149SC..Hα-helixtrans-62.2-24.4177.700000114.3S481 E483S481-G485 PolarHBondContact O-N 2.75Å; E483-G485 VanDerWaalsContact C-N 3.33Å; E483-G485 PolarHBondContact O-N 3.07Å
486R90.2Very high93Very high78 Ų7828.4 Ų28.429%0.29415%0.148SC..Hα-helixtrans-110.72.3-179.878-173-170.9173.6-0.4115M482 E483 L484 S488 S489 R490M482-R486 VanDerWaalsContact O-CG 3.3Å; M482-R486 WeakPolarHBondContact O-CG 3.43Å; M482-R486 PolarHBondContact O-N 3.49Å; M482-R486 PolarHBondContact SD-NE 3.35Å; M482-R486 VanDerWaalsContact SD-NE 3.44Å; M482-R486 PolarHBondContact SD-NH1 3.46Å; M482-R486 VanDerWaalsContact SD-NH1 3.4Å; E483-R486 PolarHBondContact O-N 3.32Å; L484-R486 PolarHBondContact O-N 2.83Å; R486-S488 PolarHBondContact O-N 3.11Å; R486-S489 PolarHBondContact O-N 2.56Å; R486-S489 PolarHBondContact O-OG 3.05Å; R486-R490 HydrophobicContact CB-CG 4.21Å; R486-R490 HydrophobicContact CG-CB 4.45Å; R486-R490 HydrophobicContact CG-CG 3.77Å; R486-R490 WeakPolarHBondContact O-CB 3.32Å; R486-R490 PolarHBondContact O-N 3.13Å
487I92.6Very high93.1Very high3 Ų328.4 Ų28.42%0.01515%0.148CC..Hα-helixtrans-58.8-33.5-175-161174.9000112E456 E483 L484 S489 N491 L492 L511E456-I487 HydrophobicContact CB-CD1 4.46Å; E456-I487 HydrophobicContact CG-CD1 3.98Å; E456-I487 HydrophobicContact CG-CG1 4.43Å; E483-I487 PolarHBondContact O-N 3.29Å; L484-I487 VanDerWaalsContact O-CG2 3.25Å; L484-I487 WeakPolarHBondContact O-CG2 3.43Å; L484-I487 PolarHBondContact O-N 3.47Å; I487-S489 VanDerWaalsContact C-N 3.33Å; I487-S489 PolarHBondContact O-N 3.13Å; I487-N491 HydrophobicContact CG1-CB 4.2Å; I487-N491 PolarHBondContact O-N 3.34Å; I487-L492 HydrophobicContact CG1-CD1 4.38Å; I487-L492 HydrophobicContact CG1-CG 4.23Å; I487-L492 HydrophobicContact CG2-CD1 4.15Å; I487-L492 PolarHBondContact O-N 2.68Å; I487-L492 VanDerWaalsContact O-N 3.09Å; I487-L511 HydrophobicContact CD1-CD1 4.04Å; I487-L511 HydrophobicContact CD1-CD2 4.04Å
488S92.6Very high93.2Very high15 Ų1528.1 Ų28.111%0.10515%0.147CC..Iπ-helixtrans-59.4-39.3179.665.90000113.3R135 F138 R486 G493R135-S488 PolarHBondContact NH2-O 2.71Å; F138-S488 WeakPolarHBondContact O-CA 3.47Å; F138-S488 WeakPolarHBondContact O-CB 3.43Å; R486-S488 PolarHBondContact O-N 3.11Å; S488-G493 PolarHBondContact O-N 3.09Å
489S86.3Confident93.4Very high49 Ų4923.3 Ų23.334%0.34312%0.124SC..Iπ-helixtrans-98.3-27.2-176.462.60000112.9L410 R486 I487L410-S489 WeakPolarHBondContact CD2-O 3.4Å; R486-S489 PolarHBondContact O-N 2.56Å; R486-S489 PolarHBondContact O-OG 3.05Å; I487-S489 VanDerWaalsContact C-N 3.33Å; I487-S489 PolarHBondContact O-N 3.13Å
490R89Confident93.5Very high103 Ų10322.4 Ų22.439%0.38912%0.121SC..Iπ-helixtrans-88.5-30-178.5-69.9-55.4-159.8139.7-1.1115R486 R494R486-R490 HydrophobicContact CB-CG 4.21Å; R486-R490 HydrophobicContact CG-CB 4.45Å; R486-R490 HydrophobicContact CG-CG 3.77Å; R486-R490 WeakPolarHBondContact O-CB 3.32Å; R486-R490 PolarHBondContact O-N 3.13Å; R490-R494 PolarHBondContact O-NH1 2.96Å
491N90.8Very high93.6Very high29 Ų2922.4 Ų22.416%0.15512%0.121CC..Iπ-helixtrans-124.4-62.4-173.7-64.980.5000111.1I452 I487 G493 R494 D495I452-N491 HydrophobicContact CG2-CB 4.45Å; I487-N491 HydrophobicContact CG1-CB 4.2Å; I487-N491 PolarHBondContact O-N 3.34Å; N491-G493 PolarHBondContact O-N 3.31Å; N491-R494 PolarHBondContact O-N 3.49Å; N491-D495 WeakPolarHBondContact O-CB 3.41Å; N491-D495 PolarHBondContact O-N 3.14Å
492L94.9Very high93.9Very high0 Ų022.8 Ų22.80%012%0.119CC..Iπ-helixtrans-68.7-38.3-160.2-59.3179000114F138 G139 R140 I452 I487 D495 D496 F508 L511F138-L492 HydrophobicContact CB-CD1 4.17Å; F138-L492 VanDerWaalsContact O-CD1 3.26Å; F138-L492 WeakPolarHBondContact O-CD1 3.46Å; G139-L492 VanDerWaalsContact O-CB 3.23Å; G139-L492 WeakPolarHBondContact O-CB 3.32Å; R140-L492 HydrophobicContact CG-CD1 3.84Å; I452-L492 HydrophobicContact CG2-CD2 3.69Å; I487-L492 HydrophobicContact CG1-CD1 4.38Å; I487-L492 HydrophobicContact CG1-CG 4.23Å; I487-L492 HydrophobicContact CG2-CD1 4.15Å; I487-L492 PolarHBondContact O-N 2.68Å; I487-L492 VanDerWaalsContact O-N 3.09Å; L492-D495 PolarHBondContact O-N 3.06Å; L492-D496 VanDerWaalsContact O-CB 3.24Å; L492-D496 WeakPolarHBondContact O-CB 3.14Å; L492-D496 PolarHBondContact O-N 3.05Å; L492-F508 HydrophobicContact CD2-CD1 3.92Å; L492-F508 HydrophobicContact CD2-CE1 3.64Å; L492-F508 HydrophobicContact CD2-CZ 4.07Å; L492-L511 HydrophobicContact CD1-CD1 3.64Å; L492-L511 HydrophobicContact CD2-CD1 3.68Å; L492-L511 HydrophobicContact CG-CD1 4.26Å
493G94.4Very high94.1Very high0 Ų019.9 Ų19.90%011%0.108CC..Hα-helixtrans-58.9-49.9175.300000112.6S488 N491 R497S488-G493 PolarHBondContact O-N 3.09Å; N491-G493 PolarHBondContact O-N 3.31Å; G493-R497 WeakPolarHBondContact O-CG 3.06Å; G493-R497 PolarHBondContact O-N 2.88Å; G493-R497 PolarHBondContact O-NE 2.84Å
494R95.6Very high94.4Very high2 Ų220.1 Ų20.11%0.00811%0.109CC..Hα-helixtrans-60.7-51.2176176.9-164.465.2-129.5-11.8110.9V407 L410 D415 I418 R490 N491 D496 R497 V498V407-R494 HydrophobicContact CG2-CG 4.31Å; L410-R494 HydrophobicContact CD1-CB 4Å; D415-R494 IonicContact OD1-NH1 3.98Å; D415-R494 PolarHBondContact OD1-NH1 2.68Å; I418-R494 VanDerWaalsContact CG2-NH2 3.32Å; R490-R494 PolarHBondContact O-NH1 2.96Å; N491-R494 PolarHBondContact O-N 3.49Å; R494-D496 PolarHBondContact O-N 3.19Å; R494-R497 PolarHBondContact O-N 3.34Å; R494-R497 VanDerWaalsContact O-N 3.14Å; R494-V498 HydrophobicContact CG-CG1 4.5Å; R494-V498 WeakPolarHBondContact O-CG2 3.34Å; R494-V498 PolarHBondContact O-N 2.98Å
495D96Very high94.6Very high2 Ų218.3 Ų18.31%0.01110%0.099CC..Hα-helixtrans-66-38.4-171.5-63.6-17.7000111.5I452 N491 L492 R497 V498 V499I452-D495 HydrophobicContact CD1-CB 3.92Å; I452-D495 WeakPolarHBondContact CD1-OD2 3.48Å; N491-D495 WeakPolarHBondContact O-CB 3.41Å; N491-D495 PolarHBondContact O-N 3.14Å; L492-D495 PolarHBondContact O-N 3.06Å; D495-R497 VanDerWaalsContact C-N 3.31Å; D495-R497 PolarHBondContact O-N 2.99Å; D495-V498 WeakPolarHBondContact O-CG2 3.3Å; D495-V499 WeakPolarHBondContact O-CB 3.14Å; D495-V499 VanDerWaalsContact O-CG2 3.24Å; D495-V499 WeakPolarHBondContact O-CG2 3.44Å; D495-V499 PolarHBondContact O-N 3.07Å; D495-V499 VanDerWaalsContact O-N 3.11Å
496D97.8Very high95Very high1 Ų116.5 Ų16.51%0.0058%0.081CC..Hα-helixtrans-62.4-36.5173.917962.1000112.4R28 R141 S142 L492 R494 G500R28-D496 IonicContact CZ-OD1 2.78Å; R28-D496 IonicContact CZ-OD2 3.66Å; R28-D496 VanDerWaalsContact CZ-OD2 3.26Å; R28-D496 PolarHBondContact NH1-O 2.85Å; R28-D496 IonicContact NH1-OD1 3.22Å; R28-D496 IonicContact NH1-OD2 3.41Å; R28-D496 PolarHBondContact NH1-OD2 3.35Å; R28-D496 VanDerWaalsContact NH1-OD2 3.11Å; R28-D496 IonicContact NH2-OD1 3.29Å; R28-D496 PolarHBondContact NH2-OD1 2.73Å; R28-D496 IonicContact NH2-OD2 3.41Å; R28-D496 PolarHBondContact NH2-OD2 3.31Å; R141-D496 WeakPolarHBondContact CD-OD1 3.41Å; R141-D496 IonicContact CZ-OD1 3.86Å; R141-D496 IonicContact NH1-OD1 3.52Å; R141-D496 PolarHBondContact NH1-OD1 3.04Å; S142-D496 PolarHBondContact N-OD2 2.7Å; L492-D496 VanDerWaalsContact O-CB 3.24Å; L492-D496 WeakPolarHBondContact O-CB 3.14Å; L492-D496 PolarHBondContact O-N 3.05Å; R494-D496 PolarHBondContact O-N 3.19Å; D496-G500 WeakPolarHBondContact O-CA 3.11Å; D496-G500 PolarHBondContact O-N 3.05Å
497R97.4Very high95.4Very high1 Ų113 Ų130%0.0047%0.068CC..Hα-helixtrans-77-43.8-178.9-72178.5-79.8173.2-12.2113.2S142 S156 V157 E171 L406 L408 G493 R494 D495 G500 D501S142-R497 WeakPolarHBondContact OG-CD 3.35Å; S142-R497 PolarHBondContact OG-NE 3.39Å; S142-R497 VanDerWaalsContact OG-NE 3.15Å; S156-R497 WeakPolarHBondContact O-CD 3.06Å; S156-R497 VanDerWaalsContact O-CG 3.25Å; S156-R497 WeakPolarHBondContact O-CG 3.28Å; V157-R497 HydrophobicContact CG1-CB 4.35Å; V157-R497 HydrophobicContact CG1-CG 3.93Å; E171-R497 IonicContact OE2-CZ 3.73Å; E171-R497 IonicContact OE2-NH2 3.78Å; E171-R497 PolarHBondContact OE2-NH2 3.19Å; L406-R497 HydrophobicContact CB-CB 4.41Å; L406-R497 PolarHBondContact O-NE 3.27Å; L406-R497 PolarHBondContact O-NH1 2.99Å; L408-R497 PolarHBondContact O-NH1 3.25Å; L408-R497 PolarHBondContact O-NH2 3.36Å; G493-R497 WeakPolarHBondContact O-CG 3.06Å; G493-R497 PolarHBondContact O-N 2.88Å; G493-R497 PolarHBondContact O-NE 2.84Å; R494-R497 PolarHBondContact O-N 3.34Å; R494-R497 VanDerWaalsContact O-N 3.14Å; D495-R497 VanDerWaalsContact C-N 3.31Å; D495-R497 PolarHBondContact O-N 2.99Å; R497-G500 PolarHBondContact O-N 3.46Å; R497-D501 PolarHBondContact O-N 3.44Å
498V97.8Very high95.7Very high0 Ų013 Ų130%07%0.067CC..Hα-helixtrans-69.2-34.2179.3-62.30000112.5L406 V422 W423 R494 D495L406-V498 HydrophobicContact CB-CG1 3.84Å; L406-V498 HydrophobicContact CD1-CG1 4.48Å; V422-V498 HydrophobicContact CB-CG2 3.8Å; V422-V498 HydrophobicContact CG1-CG2 3.56Å; W423-V498 HydrophobicContact CB-CB 3.99Å; W423-V498 HydrophobicContact CB-CG1 4.47Å; W423-V498 HydrophobicContact CG-CB 4.46Å; R494-V498 HydrophobicContact CG-CG1 4.5Å; R494-V498 WeakPolarHBondContact O-CG2 3.34Å; R494-V498 PolarHBondContact O-N 2.98Å; D495-V498 WeakPolarHBondContact O-CG2 3.3Å
499V98.3Very high96Very high1 Ų112.3 Ų12.31%0.0066%0.062CC..Hα-helixtrans-72.5-42.7171.6177.80000110.4V422 A426 V448 D495 D501 H502 K504 A506V422-V499 HydrophobicContact CG1-CG2 3.63Å; A426-V499 HydrophobicContact CB-CB 4.26Å; A426-V499 HydrophobicContact CB-CG1 4.19Å; A426-V499 HydrophobicContact CB-CG2 3.93Å; V448-V499 HydrophobicContact CB-CG1 4.39Å; V448-V499 HydrophobicContact CG2-CG1 4.42Å; D495-V499 WeakPolarHBondContact O-CB 3.14Å; D495-V499 VanDerWaalsContact O-CG2 3.24Å; D495-V499 WeakPolarHBondContact O-CG2 3.44Å; D495-V499 PolarHBondContact O-N 3.07Å; D495-V499 VanDerWaalsContact O-N 3.11Å; V499-D501 VanDerWaalsContact C-N 3.31Å; V499-D501 PolarHBondContact O-N 2.53Å; V499-H502 PolarHBondContact O-N 3.46Å; V499-K504 HydrophobicContact CG1-CB 4.03Å; V499-A506 HydrophobicContact CB-CB 4.09Å; V499-A506 HydrophobicContact CG1-CB 3.98Å; V499-A506 HydrophobicContact CG2-CB 4.14Å
500G97.8Very high96.5Very high1 Ų110 Ų101%0.015%0.046CC..Hα-helixtrans-56.3-39.9179.700000113.5R28 D496 R497 H502 G503 K504R28-G500 WeakPolarHBondContact CA-O 3.31Å; D496-G500 WeakPolarHBondContact O-CA 3.11Å; D496-G500 PolarHBondContact O-N 3.05Å; R497-G500 PolarHBondContact O-N 3.46Å; G500-H502 PolarHBondContact O-N 3.09Å; G500-G503 PolarHBondContact O-N 2.76Å; G500-K504 WeakPolarHBondContact CA-O 3.31Å
501D97.9Very high97Very high3 Ų35.1 Ų5.12%0.0163%0.028CC..THydrogen-bonded Turntrans-58-11.2179.6-175.561.3000114.7R27 R402 L406 W423 R497 V499R27-D501 WeakPolarHBondContact CD-OD1 3.32Å; R27-D501 VanDerWaalsContact CZ-O 3.29Å; R27-D501 IonicContact CZ-OD1 3.83Å; R27-D501 PolarHBondContact NE-O 3.36Å; R27-D501 VanDerWaalsContact NE-O 3.09Å; R27-D501 IonicContact NE-OD1 3.24Å; R27-D501 PolarHBondContact NE-OD1 3.12Å; R27-D501 IonicContact NE-OD2 3.86Å; R27-D501 PolarHBondContact NH2-O 3.29Å; R27-D501 IonicContact NH2-OD2 2.91Å; R402-D501 IonicContact NH1-OD1 3.93Å; L406-D501 HydrophobicContact CD1-CB 3.49Å; L406-D501 VanDerWaalsContact CD1-CB 3.49Å; L406-D501 HydrophobicContact CD2-CB 4.18Å; L406-D501 HydrophobicContact CG-CB 4.5Å; W423-D501 PolarHBondContact NE1-OD2 3.43Å; R497-D501 PolarHBondContact O-N 3.44Å; V499-D501 VanDerWaalsContact C-N 3.31Å; V499-D501 PolarHBondContact O-N 2.53Å
502H97.8Very high97.4Very high36 Ų363.8 Ų3.817%0.1672%0.021CC..THydrogen-bonded Turntrans-99.79.8173.8-65-61.4000114.5W423 R427 V499 G500 K504W423-H502 AromaticContact CD1-NE2 3.6Å; W423-H502 AromaticContact CD2-CE1 3.88Å; W423-H502 AromaticContact CD2-NE2 3.38Å; W423-H502 AromaticContact CE2-CE1 3.37Å; W423-H502 AromaticContact CE2-NE2 3.23Å; W423-H502 AromaticContact CE3-NE2 3.98Å; W423-H502 AromaticContact CG-NE2 3.64Å; W423-H502 AromaticContact CH2-CE1 3.8Å; W423-H502 AromaticContact CZ2-CE1 3.33Å; W423-H502 WeakPolarHBondContact CZ2-CE1 3.5Å; W423-H502 AromaticContact CZ2-NE2 3.71Å; W423-H502 AromaticContact NE1-CE1 3.76Å; W423-H502 AromaticContact NE1-NE2 3.37Å; W423-H502 PolarHBondContact NE1-NE2 2.99Å; W423-H502 PolarHBondContact O-NE2 3.38Å; R427-H502 VanDerWaalsContact CB-CE1 3.48Å; R427-H502 WeakPolarHBondContact CB-CE1 3.25Å; R427-H502 PolarHBondContact N-CD2 3.47Å; V499-H502 PolarHBondContact O-N 3.46Å; G500-H502 PolarHBondContact O-N 3.09Å; H502-K504 HydrophobicContact CB-CD 4.44Å; H502-K504 HydrophobicContact CB-CG 4.3Å; H502-K504 PolarHBondContact O-N 2.99Å
503G97.1Very high97.5Very high11 Ų114 Ų411%0.1132%0.022CC..THydrogen-bonded Turntrans64.733.4-173.800000111.8R27 L54 G500R27-G503 VanDerWaalsContact O-CA 3.28Å; R27-G503 WeakPolarHBondContact O-CA 3.25Å; R27-G503 PolarHBondContact O-N 2.73Å; L54-G503 VanDerWaalsContact CD1-O 3.28Å; L54-G503 WeakPolarHBondContact CD1-O 3.37Å; L54-G503 VanDerWaalsContact CD2-O 3.32Å; L54-G503 WeakPolarHBondContact CD2-O 3.49Å; G500-G503 PolarHBondContact O-N 2.76Å
504K97.4Very high97.7Very high11 Ų117.3 Ų7.35%0.0484%0.039CC..  trans-124.9148.5-178.9-63.6-173.4-177.2-175.80110.7M1 A426 S443 A445 K446 V448 V499 G500 H502M1-K504 WeakPolarHBondContact CE-O 3.42Å; A426-K504 VanDerWaalsContact O-CD 3.29Å; A426-K504 WeakPolarHBondContact O-CD 3.34Å; A426-K504 WeakPolarHBondContact O-CE 3.37Å; A426-K504 PolarHBondContact O-NZ 2.76Å; S443-K504 PolarHBondContact O-NZ 2.92Å; S443-K504 VanDerWaalsContact O-NZ 3.1Å; A445-K504 VanDerWaalsContact O-CD 3.28Å; A445-K504 WeakPolarHBondContact O-CD 3.26Å; A445-K504 VanDerWaalsContact O-CE 3.23Å; A445-K504 WeakPolarHBondContact O-CE 3.44Å; A445-K504 WeakPolarHBondContact O-CG 3.23Å; K446-K504 CarbonylContact O-C 3.56Å; K446-K504 WeakPolarHBondContact O-CA 3.31Å; V448-K504 HydrophobicContact CG2-CB 3.97Å; V448-K504 HydrophobicContact CG2-CD 3.76Å; V448-K504 HydrophobicContact CG2-CG 4.41Å; V499-K504 HydrophobicContact CG1-CB 4.03Å; G500-K504 WeakPolarHBondContact CA-O 3.31Å; H502-K504 HydrophobicContact CB-CD 4.44Å; H502-K504 HydrophobicContact CB-CG 4.3Å; H502-K504 PolarHBondContact O-N 2.99Å
505E97.3Very high97.9Very high0 Ų07.2 Ų7.20%04%0.039CC..EExtended strand (participates in β ladder)trans-104.2117.1178.5-168.4-164.6128.600110.7M1 L54 M56 E78 R141 K446 V448 R507M1-E505 HydrophobicContact CB-CB 4.33Å; M1-E505 HydrophobicContact CB-CG 4Å; M1-E505 HydrophobicContact CE-CB 4.45Å; M1-E505 HydrophobicContact CG-CB 4.48Å; M1-E505 HydrophobicContact CG-CG 4.11Å; L54-E505 HydrophobicContact CD2-CB 4.46Å; M56-E505 HydrophobicContact CE-CB 3.9Å; M56-E505 WeakPolarHBondContact CE-OE2 3.4Å; M56-E505 VanDerWaalsContact CG-OE2 3.3Å; M56-E505 WeakPolarHBondContact CG-OE2 3.39Å; M56-E505 HydrophobicContact SD-CB 4.39Å; E78-E505 WeakPolarHBondContact CG-OE1 3.28Å; E78-E505 WeakPolarHBondContact CG-OE2 3.36Å; R141-E505 IonicContact CZ-OE1 3.6Å; R141-E505 IonicContact NH2-OE1 2.98Å; R141-E505 PolarHBondContact NH2-OE1 3.05Å; K446-E505 PolarHBondContact O-N 3.3Å; V448-E505 PolarHBondContact N-O 2.85Å; E505-R507 HydrophobicContact CG-CG 4.47Å; E505-R507 WeakPolarHBondContact OE1-CG 3.45Å; E505-R507 IonicContact OE1-CZ 3.26Å; E505-R507 IonicContact OE1-NE 3.75Å; E505-R507 PolarHBondContact OE1-NE 3.11Å; E505-R507 IonicContact OE1-NH2 3.02Å; E505-R507 IonicContact OE2-NE 2.8Å; E505-R507 IonicContact OE2-NH2 2.69Å
506A97.1Very high98Very high1 Ų17.3 Ų7.31%0.0084%0.04CC..EExtended strand (participates in β ladder)trans-68.3132166.400000110.3R141 V448 T450 V499 F508R141-A506 PolarHBondContact NH1-O 2.84Å; V448-A506 WeakPolarHBondContact O-CA 3.49Å; T450-A506 HydrophobicContact CG2-CB 4.1Å; V499-A506 HydrophobicContact CB-CB 4.09Å; V499-A506 HydrophobicContact CG1-CB 3.98Å; V499-A506 HydrophobicContact CG2-CB 4.14Å; A506-F508 HydrophobicContact CB-CE1 4.32Å; A506-F508 HydrophobicContact CB-CE2 4.08Å; A506-F508 HydrophobicContact CB-CZ 3.69Å
507R97.9Very high98Very high5 Ų58.6 Ų8.62%0.0195%0.049CC..EExtended strand (participates in β ladder)trans-123.7141.3172.8-65.8-170.4178.4175.7-2110.5R282 Q284 V447 V448 L449 T450 E505 P509R282-R507 VanDerWaalsContact C-NH1 3.32Å; R282-R507 HydrophobicContact CB-CB 4.17Å; R282-R507 HydrophobicContact CG-CB 4.17Å; R282-R507 WeakPolarHBondContact O-CD 3.43Å; R282-R507 PolarHBondContact O-NH1 2.98Å; Q284-R507 PolarHBondContact O-NH1 3.39Å; Q284-R507 PolarHBondContact O-NH2 3.14Å; V447-R507 HydrophobicContact CG1-CG 4.29Å; V448-R507 PolarHBondContact O-N 2.92Å; L449-R507 HydrophobicContact CD2-CB 4.03Å; T450-R507 PolarHBondContact N-O 2.65Å; E505-R507 HydrophobicContact CG-CG 4.47Å; E505-R507 WeakPolarHBondContact OE1-CG 3.45Å; E505-R507 IonicContact OE1-CZ 3.26Å; E505-R507 IonicContact OE1-NE 3.75Å; E505-R507 PolarHBondContact OE1-NE 3.11Å; E505-R507 IonicContact OE1-NH2 3.02Å; E505-R507 IonicContact OE2-NE 2.8Å; E505-R507 IonicContact OE2-NH2 2.69Å; R507-P509 VanDerWaalsContact O-CD 3.3Å; R507-P509 WeakPolarHBondContact O-CD 3.48Å
508F97.9Very high98.1Very high2 Ų28.9 Ų8.91%0.0095%0.05CC..  trans-121.181.9-166.7-51.1-86.3000110.7R140 R282 T450 I452 L492 A506 Y510 L511 D512R140-F508 HydrophobicContact CB-CD2 4.07Å; R140-F508 HydrophobicContact CB-CE2 4.05Å; R140-F508 HydrophobicContact CG-CD2 3.9Å; R140-F508 HydrophobicContact CG-CE2 4.29Å; R140-F508 HydrophobicContact CG-CG 4.47Å; R282-F508 PolarHBondContact NE-O 2.78Å; R282-F508 VanDerWaalsContact NE-O 3.14Å; T450-F508 HydrophobicContact CG2-CE1 4.43Å; T450-F508 WeakPolarHBondContact OG1-CD1 3.4Å; I452-F508 HydrophobicContact CB-CD1 4.12Å; I452-F508 HydrophobicContact CB-CE1 4.35Å; I452-F508 HydrophobicContact CD1-CE1 3.98Å; I452-F508 HydrophobicContact CG2-CD1 4.46Å; L492-F508 HydrophobicContact CD2-CD1 3.92Å; L492-F508 HydrophobicContact CD2-CE1 3.64Å; L492-F508 HydrophobicContact CD2-CZ 4.07Å; A506-F508 HydrophobicContact CB-CE1 4.32Å; A506-F508 HydrophobicContact CB-CE2 4.08Å; A506-F508 HydrophobicContact CB-CZ 3.69Å; F508-Y510 VanDerWaalsContact C-N 3.28Å; F508-Y510 PolarHBondContact O-N 3.09Å; F508-L511 HydrophobicContact CB-CB 3.91Å; F508-L511 HydrophobicContact CB-CD1 4.18Å; F508-L511 HydrophobicContact CB-CG 4.31Å; F508-L511 HydrophobicContact CD1-CD1 4.48Å; F508-L511 HydrophobicContact CG-CD1 4.43Å; F508-L511 CarbonylContact O-C 3.58Å; F508-L511 PolarHBondContact O-N 3.27Å; F508-L511 VanDerWaalsContact O-N 3.12Å; F508-D512 PolarHBondContact O-N 3.15Å
509P98.7Very high98.1Very high0 Ų09 Ų90%05%0.05CC..G310 helixtrans-61.1-33.6-179.5-24.834.7000113.9L275 A278 V279 L308 L449 R507 L511 D512L275-P509 HydrophobicContact CD1-CB 3.89Å; A278-P509 HydrophobicContact CB-CB 4.41Å; V279-P509 HydrophobicContact CG2-CB 3.77Å; V279-P509 HydrophobicContact CG2-CG 3.97Å; L308-P509 HydrophobicContact CD1-CG 4.29Å; L308-P509 HydrophobicContact CD2-CB 3.72Å; L308-P509 HydrophobicContact CD2-CG 3.79Å; L449-P509 HydrophobicContact CD2-CG 4.15Å; R507-P509 VanDerWaalsContact O-CD 3.3Å; R507-P509 WeakPolarHBondContact O-CD 3.48Å; P509-L511 PolarHBondContact O-N 3.46Å; P509-D512 VanDerWaalsContact O-CB 3.28Å; P509-D512 WeakPolarHBondContact O-CB 3.34Å; P509-D512 PolarHBondContact O-N 2.72Å
510Y98.7Very high98.1Very high1 Ų19.3 Ų9.30%0.0045%0.053CC..G310 helixtrans-71.3-18.3176.4-67.1-73.7000113.6L275 D304 L308 A454 Q457 F508 L542L275-Y510 HydrophobicContact CD1-CD1 3.95Å; L275-Y510 HydrophobicContact CD1-CE1 4.05Å; L275-Y510 HydrophobicContact CD1-CG 4.42Å; L275-Y510 HydrophobicContact CD2-CD1 4.25Å; L275-Y510 HydrophobicContact CD2-CE1 3.55Å; L275-Y510 HydrophobicContact CG-CE1 4.48Å; D304-Y510 HydrophobicContact CB-CE2 4.26Å; D304-Y510 PolarHBondContact O-OH 2.94Å; L308-Y510 HydrophobicContact CD1-CD2 4.22Å; L308-Y510 HydrophobicContact CD1-CE2 3.76Å; L308-Y510 HydrophobicContact CD2-CD2 4.29Å; L308-Y510 HydrophobicContact CD2-CE2 3.72Å; L308-Y510 HydrophobicContact CG-CD2 4.48Å; L308-Y510 HydrophobicContact CG-CE2 3.68Å; A454-Y510 HydrophobicContact CB-CD1 3.92Å; A454-Y510 HydrophobicContact CB-CD2 3.85Å; A454-Y510 HydrophobicContact CB-CE1 4.07Å; A454-Y510 HydrophobicContact CB-CE2 4Å; A454-Y510 HydrophobicContact CB-CG 3.81Å; Q457-Y510 PolarHBondContact NE2-O 2.81Å; F508-Y510 VanDerWaalsContact C-N 3.28Å; F508-Y510 PolarHBondContact O-N 3.09Å; Y510-L542 HydrophobicContact CE1-CD1 3.83Å; Y510-L542 HydrophobicContact CE1-CD2 4.37Å
511L98.3Very high98Very high0 Ų011.8 Ų11.80%07%0.07CC..G310 helixtrans-105.327173.8-59.9175.5000111.4R140 I487 L492 F508 P509 V516R140-L511 HydrophobicContact CG-CD1 4.43Å; R140-L511 PolarHBondContact NH1-O 3.16Å; I487-L511 HydrophobicContact CD1-CD1 4.04Å; I487-L511 HydrophobicContact CD1-CD2 4.04Å; L492-L511 HydrophobicContact CD1-CD1 3.64Å; L492-L511 HydrophobicContact CD2-CD1 3.68Å; L492-L511 HydrophobicContact CG-CD1 4.26Å; F508-L511 HydrophobicContact CB-CB 3.91Å; F508-L511 HydrophobicContact CB-CD1 4.18Å; F508-L511 HydrophobicContact CB-CG 4.31Å; F508-L511 HydrophobicContact CD1-CD1 4.48Å; F508-L511 HydrophobicContact CG-CD1 4.43Å; F508-L511 CarbonylContact O-C 3.58Å; F508-L511 PolarHBondContact O-N 3.27Å; F508-L511 VanDerWaalsContact O-N 3.12Å; P509-L511 PolarHBondContact O-N 3.46Å; L511-V516 HydrophobicContact CD2-CG2 4.41Å
512D98.6Very high98Very high2 Ų212.4 Ų12.41%0.0117%0.073CC..  trans-70.8138.2161.5-174.5-93.3000110A278 R282 F508 P509 D514 V515 V516A278-D512 HydrophobicContact CB-CB 3.49Å; A278-D512 VanDerWaalsContact CB-CB 3.49Å; R282-D512 IonicContact CZ-OD2 3.77Å; R282-D512 IonicContact NH1-OD2 3.24Å; R282-D512 PolarHBondContact NH1-OD2 3.3Å; R282-D512 IonicContact NH2-OD2 2.72Å; R282-D512 PolarHBondContact NH2-OD2 3.19Å; F508-D512 PolarHBondContact O-N 3.15Å; P509-D512 VanDerWaalsContact O-CB 3.28Å; P509-D512 WeakPolarHBondContact O-CB 3.34Å; P509-D512 PolarHBondContact O-N 2.72Å; D512-D514 PolarHBondContact O-N 2.89Å; D512-D514 VanDerWaalsContact OD1-CB 3.3Å; D512-D514 WeakPolarHBondContact OD1-CB 3.42Å; D512-D514 PolarHBondContact OD1-N 3.31Å; D512-V515 HydrophobicContact CB-CB 4.11Å; D512-V515 HydrophobicContact CB-CG2 3.87Å; D512-V515 PolarHBondContact O-N 3.48Å; D512-V515 VanDerWaalsContact O-N 3.1Å; D512-V516 WeakPolarHBondContact O-CG2 3.5Å; D512-V516 PolarHBondContact O-N 2.62Å
513E98.3Very high97.8Very high4 Ų411.4 Ų11.42%0.0197%0.07CC..Hα-helixtrans-59.7-35.6-176.1-65.477.2177.500111.9R116 G117 F138 R140 P229 V230 S517R116-E513 VanDerWaalsContact NH1-CB 3.35Å; G117-E513 PolarHBondContact N-OE1 2.98Å; F138-E513 HydrophobicContact CE2-CG 4.35Å; R140-E513 IonicContact CZ-OE1 3.79Å; R140-E513 VanDerWaalsContact CZ-OE1 3.28Å; R140-E513 IonicContact NH1-OE1 3.27Å; R140-E513 PolarHBondContact NH1-OE1 2.89Å; R140-E513 IonicContact NH1-OE2 2.77Å; R140-E513 PolarHBondContact NH1-OE2 2.96Å; R140-E513 IonicContact NH2-OE1 3.95Å; R140-E513 PolarHBondContact NH2-OE1 3.3Å; P229-E513 HydrophobicContact CB-CB 4.46Å; P229-E513 HydrophobicContact CB-CG 3.79Å; P229-E513 HydrophobicContact CG-CG 4.24Å; V230-E513 HydrophobicContact CG1-CB 4.09Å; V230-E513 HydrophobicContact CG1-CG 4.43Å; E513-S517 WeakPolarHBondContact O-CB 3.46Å; E513-S517 PolarHBondContact O-N 3.02Å; E513-S517 PolarHBondContact O-OG 3.29Å
514D98.5Very high97.7Very high69 Ų6911 Ų1137%0.3697%0.065SC..Hα-helixtrans-73.7-35.4177.8-62.3-38000111.2R281 D512 Y518R281-D514 IonicContact CZ-OD2 3.16Å; R281-D514 IonicContact NH1-OD2 2.89Å; R281-D514 PolarHBondContact NH1-OD2 2.92Å; R281-D514 IonicContact NH2-OD2 2.75Å; D512-D514 PolarHBondContact O-N 2.89Å; D512-D514 VanDerWaalsContact OD1-CB 3.3Å; D512-D514 WeakPolarHBondContact OD1-CB 3.42Å; D512-D514 PolarHBondContact OD1-N 3.31Å; D514-Y518 WeakPolarHBondContact O-CB 3.43Å; D514-Y518 PolarHBondContact O-N 3.27Å
515V98.8Very high97.5Very high0 Ų013.4 Ų13.40%07%0.074CC..Hα-helixtrans-67.4-49.2175.1175.70000110.6V274 L275 A278 D512 Y518 L519V274-V515 HydrophobicContact CB-CG2 4.29Å; V274-V515 HydrophobicContact CG2-CG2 4.09Å; L275-V515 HydrophobicContact CB-CG2 4.33Å; L275-V515 HydrophobicContact CD1-CG1 4.43Å; L275-V515 HydrophobicContact CD1-CG2 4.08Å; A278-V515 HydrophobicContact CB-CG2 3.77Å; D512-V515 HydrophobicContact CB-CB 4.11Å; D512-V515 HydrophobicContact CB-CG2 3.87Å; D512-V515 PolarHBondContact O-N 3.48Å; D512-V515 VanDerWaalsContact O-N 3.1Å; V515-Y518 PolarHBondContact O-N 2.82Å; V515-L519 HydrophobicContact CG1-CD1 4.04Å; V515-L519 WeakPolarHBondContact O-CG 3.41Å; V515-L519 PolarHBondContact O-N 3.24Å
516V98.4Very high97.3Very high4 Ų414.3 Ų14.32%0.0248%0.079CC..Hα-helixtrans-63.7-44.8178.6176.30000109.9F138 V230 L511 D512 Y518 L519 S520F138-V516 HydrophobicContact CE1-CG1 4.08Å; F138-V516 HydrophobicContact CE1-CG2 4.19Å; F138-V516 HydrophobicContact CE2-CG2 4.26Å; F138-V516 HydrophobicContact CZ-CB 3.92Å; F138-V516 HydrophobicContact CZ-CG1 3.79Å; F138-V516 HydrophobicContact CZ-CG2 3.65Å; V230-V516 HydrophobicContact CB-CG1 4.15Å; V230-V516 HydrophobicContact CG1-CB 4.07Å; V230-V516 HydrophobicContact CG1-CG1 4.02Å; V230-V516 HydrophobicContact CG2-CG1 4.19Å; L511-V516 HydrophobicContact CD2-CG2 4.41Å; D512-V516 WeakPolarHBondContact O-CG2 3.5Å; D512-V516 PolarHBondContact O-N 2.62Å; V516-Y518 VanDerWaalsContact C-N 3.26Å; V516-Y518 PolarHBondContact O-N 3.36Å; V516-L519 PolarHBondContact O-N 2.91Å; V516-S520 VanDerWaalsContact O-CB 3.29Å; V516-S520 WeakPolarHBondContact O-CB 3.44Å; V516-S520 PolarHBondContact O-N 3.38Å; V516-S520 PolarHBondContact O-OG 2.96Å
517S98.4Very high97.2Very high28 Ų2814.4 Ų14.420%0.1968%0.079CC..Hα-helixtrans-58.5-40.6177-62.20000112.3P231 E513 S521P231-S517 WeakPolarHBondContact CD-OG 3.36Å; E513-S517 WeakPolarHBondContact O-CB 3.46Å; E513-S517 PolarHBondContact O-N 3.02Å; E513-S517 PolarHBondContact O-OG 3.29Å; S517-S521 WeakPolarHBondContact O-CB 3.47Å; S517-S521 PolarHBondContact O-N 3.06Å; S517-S521 VanDerWaalsContact O-N 3.08Å
518Y98.7Very high97Very high7 Ų714.3 Ų14.33%0.0278%0.079CC..Hα-helixtrans-64.7-50.2175.3176.1-123.9000111.9E267 R270 L271 V274 D514 V515 V516 S520 S521 L522E267-Y518 VanDerWaalsContact C-OH 3.24Å; E267-Y518 WeakPolarHBondContact CA-OH 3.24Å; E267-Y518 WeakPolarHBondContact CB-OH 3.09Å; E267-Y518 PolarHBondContact O-OH 3.26Å; R270-Y518 HydrophobicContact CB-CE1 4.24Å; R270-Y518 HydrophobicContact CB-CE2 4.16Å; R270-Y518 VanDerWaalsContact CD-CE2 3.46Å; R270-Y518 HydrophobicContact CG-CD2 4.07Å; R270-Y518 HydrophobicContact CG-CE1 4.2Å; R270-Y518 HydrophobicContact CG-CE2 3.69Å; R270-Y518 HydrophobicContact CG-CG 4.48Å; R270-Y518 VanDerWaalsContact NH1-CE2 3.27Å; L271-Y518 HydrophobicContact CB-CD1 4.39Å; L271-Y518 HydrophobicContact CB-CE1 3.79Å; L271-Y518 HydrophobicContact CD1-CD1 4.14Å; L271-Y518 HydrophobicContact CD1-CE1 4.3Å; V274-Y518 HydrophobicContact CG2-CD1 3.87Å; V274-Y518 HydrophobicContact CG2-CG 4.31Å; D514-Y518 WeakPolarHBondContact O-CB 3.43Å; D514-Y518 PolarHBondContact O-N 3.27Å; V515-Y518 PolarHBondContact O-N 2.82Å; V516-Y518 VanDerWaalsContact C-N 3.26Å; V516-Y518 PolarHBondContact O-N 3.36Å; Y518-S520 PolarHBondContact O-N 3Å; Y518-S521 PolarHBondContact O-N 3.34Å; Y518-S521 VanDerWaalsContact O-N 3.16Å; Y518-S521 PolarHBondContact O-OG 3.12Å; Y518-L522 HydrophobicContact CE1-CD1 4.03Å; Y518-L522 HydrophobicContact CE2-CD1 4.07Å; Y518-L522 HydrophobicContact CE2-CD2 3.92Å; Y518-L522 HydrophobicContact CE2-CG 4.07Å; Y518-L522 PolarHBondContact O-N 3.4Å
519L98.3Very high96.8Very high2 Ų216.2 Ų16.21%0.019%0.09CC..Hα-helixtrans-65.8-35.8-179.4-68.5177.3000113L271 Q457 L458 V515 V516 S521 L522 K527 L541L271-L519 HydrophobicContact CD1-CD2 4Å; L271-L519 HydrophobicContact CD1-CG 4.35Å; Q457-L519 HydrophobicContact CB-CD1 3.92Å; L458-L519 HydrophobicContact CD1-CD1 4.44Å; L458-L519 HydrophobicContact CD2-CD1 4.42Å; L458-L519 HydrophobicContact CD2-CD2 3.79Å; L458-L519 HydrophobicContact CG-CD1 4.32Å; V515-L519 HydrophobicContact CG1-CD1 4.04Å; V515-L519 WeakPolarHBondContact O-CG 3.41Å; V515-L519 PolarHBondContact O-N 3.24Å; V516-L519 PolarHBondContact O-N 2.91Å; L519-S521 VanDerWaalsContact C-N 3.31Å; L519-L522 PolarHBondContact O-N 3.1Å; L519-K527 WeakPolarHBondContact O-CD 3.42Å; L519-K527 PolarHBondContact O-NZ 2.99Å; L519-L541 HydrophobicContact CD2-CD2 3.92Å
520S97.2Very high96.5Very high8 Ų816.5 Ų16.56%0.0569%0.091CC..Hα-helixtrans-64.5-36.2173.2-71.30000111.5N234 V516 Y518 L522N234-S520 WeakPolarHBondContact CB-O 3.21Å; N234-S520 PolarHBondContact N-O 3.03Å; V516-S520 VanDerWaalsContact O-CB 3.29Å; V516-S520 WeakPolarHBondContact O-CB 3.44Å; V516-S520 PolarHBondContact O-N 3.38Å; V516-S520 PolarHBondContact O-OG 2.96Å; Y518-S520 PolarHBondContact O-N 3Å; S520-L522 VanDerWaalsContact C-N 3.25Å; S520-L522 PolarHBondContact O-N 3.31Å
521S97.3Very high96Very high54 Ų5417.1 Ų17.138%0.37810%0.095SC..Hα-helixtrans-67.8-23.3177.876.70000113.9N234 S517 Y518 L519N234-S521 PolarHBondContact ND2-O 2.94Å; S517-S521 WeakPolarHBondContact O-CB 3.47Å; S517-S521 PolarHBondContact O-N 3.06Å; S517-S521 VanDerWaalsContact O-N 3.08Å; Y518-S521 PolarHBondContact O-N 3.34Å; Y518-S521 VanDerWaalsContact O-N 3.16Å; Y518-S521 PolarHBondContact O-OG 3.12Å; L519-S521 VanDerWaalsContact C-N 3.31Å
522L96.6Very high95.5Very high15 Ų1517.5 Ų17.58%0.07910%0.097CC..SBendtrans-85.7135.6-178.6-60.6178.1000111.4E267 Y518 L519 S520 L526 K527 L541E267-L522 HydrophobicContact CG-CD2 4.33Å; Y518-L522 HydrophobicContact CE1-CD1 4.03Å; Y518-L522 HydrophobicContact CE2-CD1 4.07Å; Y518-L522 HydrophobicContact CE2-CD2 3.92Å; Y518-L522 HydrophobicContact CE2-CG 4.07Å; Y518-L522 PolarHBondContact O-N 3.4Å; L519-L522 PolarHBondContact O-N 3.1Å; S520-L522 VanDerWaalsContact C-N 3.25Å; S520-L522 PolarHBondContact O-N 3.31Å; L522-L526 HydrophobicContact CB-CB 4.35Å; L522-L526 HydrophobicContact CD2-CD1 4.08Å; L522-K527 HydrophobicContact CB-CD 4.35Å; L522-K527 HydrophobicContact CB-CG 4.22Å; L522-K527 HydrophobicContact CD1-CG 4.47Å; L522-K527 VanDerWaalsContact O-CE 3.25Å; L522-K527 WeakPolarHBondContact O-CE 3.5Å; L522-K527 PolarHBondContact O-NZ 2.98Å; L522-L541 HydrophobicContact CD1-CD2 3.48Å; L522-L541 VanDerWaalsContact CD1-CD2 3.48Å
523P95Very high95.1Very high16 Ų1618.5 Ų18.510%0.10410%0.104CC..  trans-60.4154168.225.7-35.5000112.3W525 L526P523-W525 VanDerWaalsContact C-N 3.34Å; P523-W525 HydrophobicContact CB-CD2 3.78Å; P523-W525 HydrophobicContact CB-CE3 3.7Å; P523-W525 HydrophobicContact CB-CH2 3.23Å; P523-W525 HydrophobicContact CB-CZ2 3.3Å; P523-W525 HydrophobicContact CB-CZ3 3.4Å; P523-W525 VanDerWaalsContact CB-CZ3 3.4Å; P523-W525 HydrophobicContact CG-CD2 4.23Å; P523-W525 HydrophobicContact CG-CH2 4Å; P523-W525 HydrophobicContact CG-CZ2 3.53Å; P523-W525 HydrophobicContact CG-CZ3 4.48Å; P523-W525 PolarHBondContact O-N 2.98Å; P523-L526 VanDerWaalsContact CD-CD1 3.42Å; P523-L526 HydrophobicContact CG-CB 4.23Å; P523-L526 HydrophobicContact CG-CD1 3.37Å; P523-L526 HydrophobicContact CG-CG 3.73Å; P523-L526 WeakPolarHBondContact O-CB 3.47Å; P523-L526 PolarHBondContact O-N 3.23Å
524V94.8Very high94.8Very high1 Ų123.3 Ų23.31%0.00612%0.122CC..Hα-helixtrans-62.6-33.9-171.266.90000114.4L473 L476 L477 L480 L526 K527 A528L473-V524 HydrophobicContact CB-CG1 4.29Å; L473-V524 HydrophobicContact CD2-CG1 4.04Å; L476-V524 HydrophobicContact CD2-CG2 3.62Å; L476-V524 HydrophobicContact CG-CG2 3.98Å; L477-V524 HydrophobicContact CD1-CG1 4.19Å; L477-V524 HydrophobicContact CD2-CB 3.67Å; L477-V524 HydrophobicContact CD2-CG1 3.9Å; L477-V524 HydrophobicContact CD2-CG2 4.32Å; L477-V524 HydrophobicContact CG-CB 4.09Å; L477-V524 HydrophobicContact CG-CG1 3.79Å; L480-V524 HydrophobicContact CD1-CG2 3.82Å; V524-L526 PolarHBondContact O-N 3.25Å; V524-K527 WeakPolarHBondContact O-CB 3.46Å; V524-K527 PolarHBondContact O-N 3.38Å; V524-A528 PolarHBondContact O-N 3.18Å
525W91.7Very high94.3Very high62 Ų6220 Ų2024%0.23510%0.104CC..Hα-helixtrans-71.5-14.917862.887.6000113.7S236 L237 P238 R264 L473 P523 K527 A528S236-W525 WeakPolarHBondContact O-CZ3 3.43Å; S236-W525 WeakPolarHBondContact OG-CH2 3.36Å; L237-W525 VanDerWaalsContact CA-CZ3 3.48Å; P238-W525 VanDerWaalsContact CD-CZ3 3.47Å; P238-W525 HydrophobicContact CG-CE3 4.37Å; R264-W525 PolarHBondContact NH2-O 2.89Å; L473-W525 HydrophobicContact CD1-CB 4.47Å; L473-W525 HydrophobicContact CD1-CE3 4.22Å; P523-W525 VanDerWaalsContact C-N 3.34Å; P523-W525 HydrophobicContact CB-CD2 3.78Å; P523-W525 HydrophobicContact CB-CE3 3.7Å; P523-W525 HydrophobicContact CB-CH2 3.23Å; P523-W525 HydrophobicContact CB-CZ2 3.3Å; P523-W525 HydrophobicContact CB-CZ3 3.4Å; P523-W525 VanDerWaalsContact CB-CZ3 3.4Å; P523-W525 HydrophobicContact CG-CD2 4.23Å; P523-W525 HydrophobicContact CG-CH2 4Å; P523-W525 HydrophobicContact CG-CZ2 3.53Å; P523-W525 HydrophobicContact CG-CZ3 4.48Å; P523-W525 PolarHBondContact O-N 2.98Å; W525-K527 VanDerWaalsContact C-N 3.32Å; W525-A528 WeakPolarHBondContact CA-O 3.47Å
526L92.9Very high93.8Very high20 Ų2020 Ų2011%0.10510%0.104CC..Hα-helixtrans-76.6-24.7168.6-77.3174.9000111.4E267 L522 P523 V524E267-L526 HydrophobicContact CG-CD2 4.47Å; L522-L526 HydrophobicContact CB-CB 4.35Å; L522-L526 HydrophobicContact CD2-CD1 4.08Å; P523-L526 VanDerWaalsContact CD-CD1 3.42Å; P523-L526 HydrophobicContact CG-CB 4.23Å; P523-L526 HydrophobicContact CG-CD1 3.37Å; P523-L526 HydrophobicContact CG-CG 3.73Å; P523-L526 WeakPolarHBondContact O-CB 3.47Å; P523-L526 PolarHBondContact O-N 3.23Å; V524-L526 PolarHBondContact O-N 3.25Å
527K95.2Very high93.5Very high3 Ų319.8 Ų19.81%0.01310%0.103CC..Hα-helixtrans-92.6-39.1-174.7-66.6-179.9-75.6-159.20112.7L233 L458 L519 L522 V524 W525 K539 L540 L541L233-K527 VanDerWaalsContact CD1-NZ 3.31Å; L458-K527 HydrophobicContact CD2-CB 4.15Å; L458-K527 HydrophobicContact CD2-CG 4.32Å; L519-K527 WeakPolarHBondContact O-CD 3.42Å; L519-K527 PolarHBondContact O-NZ 2.99Å; L522-K527 HydrophobicContact CB-CD 4.35Å; L522-K527 HydrophobicContact CB-CG 4.22Å; L522-K527 HydrophobicContact CD1-CG 4.47Å; L522-K527 VanDerWaalsContact O-CE 3.25Å; L522-K527 WeakPolarHBondContact O-CE 3.5Å; L522-K527 PolarHBondContact O-NZ 2.98Å; V524-K527 WeakPolarHBondContact O-CB 3.46Å; V524-K527 PolarHBondContact O-N 3.38Å; W525-K527 VanDerWaalsContact C-N 3.32Å; K527-K539 CarbonylContact O-C 3.58Å; K527-L540 PolarHBondContact O-N 2.99Å; K527-L540 VanDerWaalsContact O-N 3.1Å; K527-L541 HydrophobicContact CG-CD2 4.47Å; K527-L541 PolarHBondContact O-N 2.81Å; K527-L541 VanDerWaalsContact O-N 3.13Å
528A94.6Very high93.4Very high2 Ų218.5 Ų18.52%0.0179%0.094CC..  trans-148.7146.7-179.200000111.4A459 V524 W525 L530 G537A459-A528 HydrophobicContact CB-CB 3.65Å; V524-A528 PolarHBondContact O-N 3.18Å; W525-A528 WeakPolarHBondContact CA-O 3.47Å; A528-L530 HydrophobicContact CB-CD2 4.27Å; A528-L530 HydrophobicContact CB-CG 4.44Å; A528-G537 WeakPolarHBondContact CA-O 3.2Å
529D92.7Very high93.3Very high43 Ų4318.2 Ų18.223%0.239%0.093CC..  trans-126.494.4169.6-175-11.3000109S531 L532 G537 L540D529-S531 PolarHBondContact O-N 2.73Å; D529-S531 VanDerWaalsContact OD1-CB 3.31Å; D529-S531 WeakPolarHBondContact OD1-CB 3.46Å; D529-S531 PolarHBondContact OD1-N 2.98Å; D529-S531 PolarHBondContact OD1-OG 2.89Å; D529-L532 HydrophobicContact CB-CD1 3.9Å; D529-L532 HydrophobicContact CB-CG 4.07Å; D529-L532 WeakPolarHBondContact O-CB 3.28Å; D529-L532 PolarHBondContact O-N 2.91Å; D529-L532 VanDerWaalsContact O-N 3.13Å; D529-G537 PolarHBondContact N-O 3.29Å; D529-G537 CarbonylContact O-C 3.54Å; D529-G537 WeakPolarHBondContact O-CA 3.4Å; D529-L540 HydrophobicContact CB-CD2 3.92Å
530L92.6Very high93.2Very high5 Ų518.3 Ų18.33%0.0269%0.094CC..THydrogen-bonded Turntrans-82.47.5-174.8-55.9-175.7000112.9A459 H464 R465 F468 L476 A528 E538A459-L530 HydrophobicContact CB-CD1 4.3Å; H464-L530 HydrophobicContact CB-CD1 4.08Å; R465-L530 HydrophobicContact CB-CD1 4.37Å; R465-L530 PolarHBondContact NH1-O 3.15Å; F468-L530 HydrophobicContact CB-CB 4.13Å; F468-L530 HydrophobicContact CB-CD1 3.83Å; F468-L530 HydrophobicContact CD1-CB 3.48Å; F468-L530 VanDerWaalsContact CD1-CB 3.48Å; F468-L530 HydrophobicContact CD2-CB 4.38Å; F468-L530 VanDerWaalsContact CE1-C 3.47Å; F468-L530 HydrophobicContact CE1-CB 3.93Å; F468-L530 HydrophobicContact CG-CB 3.73Å; F468-L530 HydrophobicContact CG-CD1 4.27Å; L476-L530 HydrophobicContact CD1-CD1 4.01Å; L476-L530 HydrophobicContact CD2-CD1 3.82Å; L476-L530 HydrophobicContact CD2-CG 4.41Å; A528-L530 HydrophobicContact CB-CD2 4.27Å; A528-L530 HydrophobicContact CB-CG 4.44Å; L530-E538 HydrophobicContact CD2-CB 4.38Å; L530-E538 HydrophobicContact CD2-CG 3.87Å
531S88Confident93.2Very high14 Ų1418 Ų1810%0.0989%0.091CC..THydrogen-bonded Turntrans-77.5-27.2161.577.10000111.5D529D529-S531 PolarHBondContact O-N 2.73Å; D529-S531 VanDerWaalsContact OD1-CB 3.31Å; D529-S531 WeakPolarHBondContact OD1-CB 3.46Å; D529-S531 PolarHBondContact OD1-N 2.98Å; D529-S531 PolarHBondContact OD1-OG 2.89Å
532L89.4Confident93.2Very high8 Ų815.5 Ų15.54%0.0427%0.073CC..SBendtrans-75.2154.9177.9-58.8176.4000111.8L245 L258 R465 D529 V536 L540L245-L532 HydrophobicContact CD1-CD2 3.96Å; L258-L532 HydrophobicContact CD1-CD2 4.34Å; L258-L532 HydrophobicContact CD2-CD2 4.26Å; L258-L532 HydrophobicContact CG-CD2 4.47Å; R465-L532 VanDerWaalsContact CZ-O 3.28Å; R465-L532 PolarHBondContact NH1-O 2.76Å; R465-L532 PolarHBondContact NH2-O 2.97Å; D529-L532 HydrophobicContact CB-CD1 3.9Å; D529-L532 HydrophobicContact CB-CG 4.07Å; D529-L532 WeakPolarHBondContact O-CB 3.28Å; D529-L532 PolarHBondContact O-N 2.91Å; D529-L532 VanDerWaalsContact O-N 3.13Å; L532-V536 HydrophobicContact CB-CG1 4.36Å; L532-V536 HydrophobicContact CD1-CG1 3.84Å; L532-L540 HydrophobicContact CD1-CD1 4.44Å
533P90Very high93.2Very high24 Ų2414.8 Ų14.816%0.1567%0.07CC..PPolyproline II helixtrans-58.8161.6179.6-25.936.4000114.4L250 L255 L258 G535 V536 G537L250-P533 HydrophobicContact CD1-CG 3.94Å; L255-P533 HydrophobicContact CD2-CB 4.15Å; L258-P533 HydrophobicContact CD2-CG 4.26Å; P533-G535 PolarHBondContact O-N 3.13Å; P533-V536 PolarHBondContact O-N 2.63Å; P533-V536 VanDerWaalsContact O-N 3.14Å; P533-G537 PolarHBondContact O-N 2.71Å
534R90.7Very high93.3Very high104 Ų10414.1 Ų14.139%0.3927%0.065SC..THydrogen-bonded Turntrans-62.2133.5175.7-61.3-164.372.8-168.3-2.2111S462 E538 K559S462-R534 PolarHBondContact OG-NH2 3.12Å; R534-E538 WeakPolarHBondContact CA-OE2 3.32Å; R534-E538 WeakPolarHBondContact CG-OE1 3.23Å; R534-E538 IonicContact NE-OE1 3.28Å; R534-E538 PolarHBondContact NE-OE1 3.48Å; R534-K559 PolarHBondContact NH2-O 3.35Å
535G88.3Confident93.4Very high0 Ų014.1 Ų14.10%07%0.066CC..THydrogen-bonded Turntrans97.4-8.4-174.100000113.8P533 E538 R543 V556P533-G535 PolarHBondContact O-N 3.13Å; G535-E538 PolarHBondContact N-OE2 3.27Å; G535-R543 VanDerWaalsContact C-CZ 3.45Å; G535-R543 VanDerWaalsContact O-CD 3.26Å; G535-R543 WeakPolarHBondContact O-CD 3.5Å; G535-R543 PolarHBondContact O-NE 3.12Å; G535-R543 VanDerWaalsContact O-NE 3.15Å; G535-R543 PolarHBondContact O-NH1 3.04Å; G535-V556 WeakPolarHBondContact CA-O 3.31Å; G535-V556 CarbonylContact O-C 3.51Å; G535-V556 WeakPolarHBondContact O-CA 3.41Å
536V89.5Confident93.7Very high0 Ų011.2 Ų11.20%06%0.055CC..THydrogen-bonded Turntrans-125.3-51.4172.1177.70000110.5L255 L258 L259 L532 P533 L540 R543L255-V536 HydrophobicContact CB-CG2 3.84Å; L255-V536 HydrophobicContact CD2-CG2 3.67Å; L255-V536 HydrophobicContact CG-CG2 4.3Å; L255-V536 WeakPolarHBondContact O-CG2 3.43Å; L258-V536 HydrophobicContact CD2-CG1 4.41Å; L258-V536 HydrophobicContact CG-CG1 4.38Å; L259-V536 HydrophobicContact CB-CG1 4.25Å; L259-V536 HydrophobicContact CB-CG2 4.44Å; L259-V536 HydrophobicContact CD1-CG1 4.32Å; L532-V536 HydrophobicContact CB-CG1 4.36Å; L532-V536 HydrophobicContact CD1-CG1 3.84Å; P533-V536 PolarHBondContact O-N 2.63Å; P533-V536 VanDerWaalsContact O-N 3.14Å; V536-L540 HydrophobicContact CG1-CD1 4.2Å; V536-R543 WeakPolarHBondContact O-CD 3.17Å
537G92.4Very high93.8Very high0 Ų013.4 Ų13.40%07%0.069CC..SBendtrans-66.3-45.6-171.700000115.3A528 D529 P533A528-G537 WeakPolarHBondContact CA-O 3.2Å; D529-G537 PolarHBondContact N-O 3.29Å; D529-G537 CarbonylContact O-C 3.54Å; D529-G537 WeakPolarHBondContact O-CA 3.4Å; P533-G537 PolarHBondContact O-N 2.71Å
538E94.8Very high93.8Very high1 Ų116.8 Ų16.81%0.0059%0.085CC..THydrogen-bonded Turntrans-67.6133174.5-58.794.3152.500110.2A459 R465 L530 R534 G535 L540 R543A459-E538 WeakPolarHBondContact O-CB 3.46Å; R465-E538 IonicContact CZ-OE1 3.67Å; R465-E538 IonicContact CZ-OE2 3.93Å; R465-E538 IonicContact NE-OE1 3.11Å; R465-E538 PolarHBondContact NE-OE1 3.4Å; R465-E538 VanDerWaalsContact NE-OE1 3.11Å; R465-E538 IonicContact NH2-OE1 3.38Å; R465-E538 PolarHBondContact NH2-OE1 3.44Å; R465-E538 IonicContact NH2-OE2 2.94Å; R465-E538 PolarHBondContact NH2-OE2 3.35Å; L530-E538 HydrophobicContact CD2-CB 4.38Å; L530-E538 HydrophobicContact CD2-CG 3.87Å; R534-E538 WeakPolarHBondContact CA-OE2 3.32Å; R534-E538 WeakPolarHBondContact CG-OE1 3.23Å; R534-E538 IonicContact NE-OE1 3.28Å; R534-E538 PolarHBondContact NE-OE1 3.48Å; G535-E538 PolarHBondContact N-OE2 3.27Å; E538-L540 PolarHBondContact O-N 3.21Å; E538-R543 WeakPolarHBondContact O-CD 3.24Å; E538-R543 PolarHBondContact O-NE 3.43Å
539K96.6Very high93.9Very high0 Ų017.3 Ų17.30%09%0.088CC..THydrogen-bonded Turntrans56.733.3179.6-41.8-171.1179.8-159.10114.3I303 D304 D455 L458 K527 L541 L542 R543I303-K539 HydrophobicContact CG2-CD 4.23Å; D304-K539 WeakPolarHBondContact OD1-CD 3.42Å; D304-K539 IonicContact OD1-NZ 3.23Å; D304-K539 PolarHBondContact OD1-NZ 3.32Å; D304-K539 IonicContact OD2-NZ 2.73Å; D304-K539 PolarHBondContact OD2-NZ 3.1Å; D455-K539 WeakPolarHBondContact OD1-CE 3.4Å; D455-K539 IonicContact OD1-NZ 2.82Å; D455-K539 PolarHBondContact OD1-NZ 2.93Å; D455-K539 IonicContact OD2-NZ 2.84Å; L458-K539 HydrophobicContact CB-CB 4.09Å; L458-K539 HydrophobicContact CB-CG 4Å; L458-K539 WeakPolarHBondContact O-CA 3.45Å; L458-K539 PolarHBondContact O-N 3.47Å; K527-K539 CarbonylContact O-C 3.58Å; K539-L541 PolarHBondContact O-N 2.86Å; K539-L541 VanDerWaalsContact O-N 3.13Å; K539-L542 HydrophobicContact CB-CB 3.98Å; K539-L542 HydrophobicContact CB-CD2 4.47Å; K539-L542 HydrophobicContact CD-CD2 3.99Å; K539-L542 WeakPolarHBondContact O-CA 3.33Å; K539-L542 WeakPolarHBondContact O-CB 3.4Å; K539-L542 PolarHBondContact O-N 3.02Å; K539-R543 WeakPolarHBondContact O-CG 3.35Å; K539-R543 PolarHBondContact O-N 3.44Å
540L96.4Very high94.1Very high5 Ų517.6 Ų17.63%0.02610%0.1CC..Hα-helixtrans-45.9-47-177.2-179.463.1000113L259 K527 D529 L532 V536 E538 L542 R543 S544L259-L540 HydrophobicContact CD1-CD1 3.74Å; K527-L540 PolarHBondContact O-N 2.99Å; K527-L540 VanDerWaalsContact O-N 3.1Å; D529-L540 HydrophobicContact CB-CD2 3.92Å; L532-L540 HydrophobicContact CD1-CD1 4.44Å; V536-L540 HydrophobicContact CG1-CD1 4.2Å; E538-L540 PolarHBondContact O-N 3.21Å; L540-L542 VanDerWaalsContact C-N 3.34Å; L540-L542 PolarHBondContact O-N 2.94Å; L540-R543 PolarHBondContact O-N 3.28Å; L540-S544 PolarHBondContact O-N 3.04Å
541L97.6Very high94.2Very high2 Ų217.4 Ų17.41%0.0110%0.099CC..Hα-helixtrans-62.4-40.7178.6-17961.5000112.7E267 A268 L271 L458 L519 L522 K527 K539 R543 S544 A545E267-L541 HydrophobicContact CB-CD1 3.64Å; A268-L541 HydrophobicContact CB-CD1 4.17Å; L271-L541 HydrophobicContact CD2-CD2 4.08Å; L271-L541 HydrophobicContact CD2-CG 3.84Å; L458-L541 HydrophobicContact CD2-CB 4.29Å; L458-L541 HydrophobicContact CD2-CD2 4.46Å; L519-L541 HydrophobicContact CD2-CD2 3.92Å; L522-L541 HydrophobicContact CD1-CD2 3.48Å; L522-L541 VanDerWaalsContact CD1-CD2 3.48Å; K527-L541 HydrophobicContact CG-CD2 4.47Å; K527-L541 PolarHBondContact O-N 2.81Å; K527-L541 VanDerWaalsContact O-N 3.13Å; K539-L541 PolarHBondContact O-N 2.86Å; K539-L541 VanDerWaalsContact O-N 3.13Å; L541-R543 VanDerWaalsContact C-N 3.35Å; L541-S544 PolarHBondContact O-N 3.31Å; L541-A545 PolarHBondContact O-N 2.65Å
542L97.7Very high94.3Very high0 Ų018.1 Ų18.10%011%0.109CC..Hα-helixtrans-69.5-35.2178.4-167.266.6000111.5L271 I303 D304 I307 L458 Y510 K539 L540 A545 A546L271-L542 HydrophobicContact CD2-CD1 4Å; I303-L542 HydrophobicContact CD1-CG 4.27Å; I303-L542 HydrophobicContact CG1-CD2 4.45Å; I303-L542 HydrophobicContact CG1-CG 4.38Å; I303-L542 HydrophobicContact CG2-CD2 4.22Å; D304-L542 WeakPolarHBondContact OD1-CD2 3.25Å; I307-L542 HydrophobicContact CD1-CD1 3.31Å; I307-L542 HydrophobicContact CD1-CD2 4.25Å; I307-L542 HydrophobicContact CD1-CG 3.42Å; I307-L542 VanDerWaalsContact CD1-CG 3.42Å; I307-L542 WeakPolarHBondContact CD1-O 3.38Å; L458-L542 HydrophobicContact CD1-CB 3.93Å; L458-L542 HydrophobicContact CD1-CD1 4.27Å; L458-L542 HydrophobicContact CD1-CD2 3.98Å; L458-L542 HydrophobicContact CD1-CG 4.28Å; Y510-L542 HydrophobicContact CE1-CD1 3.83Å; Y510-L542 HydrophobicContact CE1-CD2 4.37Å; K539-L542 HydrophobicContact CB-CB 3.98Å; K539-L542 HydrophobicContact CB-CD2 4.47Å; K539-L542 HydrophobicContact CD-CD2 3.99Å; K539-L542 WeakPolarHBondContact O-CA 3.33Å; K539-L542 WeakPolarHBondContact O-CB 3.4Å; K539-L542 PolarHBondContact O-N 3.02Å; L540-L542 VanDerWaalsContact C-N 3.34Å; L540-L542 PolarHBondContact O-N 2.94Å; L542-A545 WeakPolarHBondContact O-CB 3.36Å; L542-A545 PolarHBondContact O-N 3.12Å; L542-A546 PolarHBondContact O-N 3.12Å
543R97.2Very high94.4Very high0 Ų026.9 Ų26.90%014%0.142CC..Hα-helixtrans-64.3-44172.5-63.7-178-176.4-79.50.4111.7L259 I303 G535 V536 E538 K539 L540 L541 A545 A546 T547 A555 L557L259-R543 HydrophobicContact CD1-CB 3.71Å; L259-R543 HydrophobicContact CD2-CB 3.9Å; L259-R543 HydrophobicContact CG-CB 4.49Å; I303-R543 VanDerWaalsContact CD1-CA 3.43Å; I303-R543 HydrophobicContact CD1-CB 4.02Å; I303-R543 HydrophobicContact CD1-CG 3.47Å; I303-R543 VanDerWaalsContact CD1-CG 3.47Å; G535-R543 VanDerWaalsContact C-CZ 3.45Å; G535-R543 VanDerWaalsContact O-CD 3.26Å; G535-R543 WeakPolarHBondContact O-CD 3.5Å; G535-R543 PolarHBondContact O-NE 3.12Å; G535-R543 VanDerWaalsContact O-NE 3.15Å; G535-R543 PolarHBondContact O-NH1 3.04Å; V536-R543 WeakPolarHBondContact O-CD 3.17Å; E538-R543 WeakPolarHBondContact O-CD 3.24Å; E538-R543 PolarHBondContact O-NE 3.43Å; K539-R543 WeakPolarHBondContact O-CG 3.35Å; K539-R543 PolarHBondContact O-N 3.44Å; L540-R543 PolarHBondContact O-N 3.28Å; L541-R543 VanDerWaalsContact C-N 3.35Å; R543-A545 VanDerWaalsContact C-N 3.29Å; R543-A545 PolarHBondContact O-N 3.39Å; R543-A546 WeakPolarHBondContact O-CB 3.26Å; R543-A546 PolarHBondContact O-N 3.04Å; R543-T547 PolarHBondContact O-N 2.98Å; R543-T547 PolarHBondContact O-OG1 3.12Å; R543-A555 VanDerWaalsContact CD-O 3.25Å; R543-A555 WeakPolarHBondContact CD-O 3.28Å; R543-A555 WeakPolarHBondContact CG-O 3.5Å; R543-A555 PolarHBondContact NH1-O 2.94Å; R543-L557 PolarHBondContact NH1-O 2.87Å; R543-L557 PolarHBondContact NH2-O 2.6Å
544S96.2Very high94.5Very high2 Ų225.8 Ų25.81%0.01414%0.135CC..Hα-helixtrans-60.7-39.6172.4-173.80000111.9T263 R264 A268 L540 L541 T547 Q548T263-S544 WeakPolarHBondContact CB-OG 3.3Å; R264-S544 PolarHBondContact N-OG 2.95Å; A268-S544 WeakPolarHBondContact CB-OG 3.3Å; L540-S544 PolarHBondContact O-N 3.04Å; L541-S544 PolarHBondContact O-N 3.31Å; S544-T547 PolarHBondContact O-N 3.05Å; S544-Q548 PolarHBondContact O-N 3.36Å
545A97.6Very high94.7Very high2 Ų220.9 Ų20.92%0.01712%0.116CC..Hα-helixtrans-64.1-43173.200000112.4A268 L271 I272 L541 L542 R543 T547 Q548 L549A268-A545 HydrophobicContact CB-CB 4.3Å; L271-A545 HydrophobicContact CD2-CB 4.26Å; I272-A545 HydrophobicContact CD1-CB 4.14Å; I272-A545 HydrophobicContact CG1-CB 3.79Å; L541-A545 PolarHBondContact O-N 2.65Å; L542-A545 WeakPolarHBondContact O-CB 3.36Å; L542-A545 PolarHBondContact O-N 3.12Å; R543-A545 VanDerWaalsContact C-N 3.29Å; R543-A545 PolarHBondContact O-N 3.39Å; A545-T547 PolarHBondContact O-N 3.41Å; A545-Q548 PolarHBondContact O-N 2.89Å; A545-L549 VanDerWaalsContact O-CG 3.29Å; A545-L549 WeakPolarHBondContact O-CG 3.44Å; A545-L549 PolarHBondContact O-N 3.05Å
546A97.2Very high94.9Very high0 Ų021.4 Ų21.40%012%0.12CC..Hα-helixtrans-57.2-48175.700000111.7I303 I307 L542 R543 Q548 L549 G550 L551 A555I303-A546 HydrophobicContact CD1-CB 3.76Å; I303-A546 HydrophobicContact CG1-CB 4.03Å; I307-A546 HydrophobicContact CD1-CB 4.02Å; I307-A546 HydrophobicContact CG1-CB 4.12Å; L542-A546 PolarHBondContact O-N 3.12Å; R543-A546 WeakPolarHBondContact O-CB 3.26Å; R543-A546 PolarHBondContact O-N 3.04Å; A546-Q548 VanDerWaalsContact C-N 3.3Å; A546-Q548 PolarHBondContact O-N 2.96Å; A546-L549 CarbonylContact O-C 3.54Å; A546-L549 WeakPolarHBondContact O-CA 3.42Å; A546-L549 WeakPolarHBondContact O-CB 3.32Å; A546-L549 PolarHBondContact O-N 3.13Å; A546-G550 PolarHBondContact O-N 3.27Å; A546-L551 CarbonylContact C-O 3.52Å; A546-L551 HydrophobicContact CB-CB 4.02Å; A546-L551 HydrophobicContact CB-CD1 4.01Å; A546-L551 VanDerWaalsContact O-CB 3.29Å; A546-L551 WeakPolarHBondContact O-CB 3.45Å; A546-L551 PolarHBondContact O-N 3.32Å; A546-A555 HydrophobicContact CB-CB 3.77Å
547T95.6Very high95.1Very high66 Ų6624.2 Ų24.241%0.40513%0.134SC..Hα-helixtrans-57.4-42.6177.3-52.40000112.2R543 S544 A545 L549 G550 L551R543-T547 PolarHBondContact O-N 2.98Å; R543-T547 PolarHBondContact O-OG1 3.12Å; S544-T547 PolarHBondContact O-N 3.05Å; A545-T547 PolarHBondContact O-N 3.41Å; T547-L549 VanDerWaalsContact C-N 3.27Å; T547-L549 PolarHBondContact O-N 3.39Å; T547-G550 PolarHBondContact O-N 3.37Å; T547-L551 VanDerWaalsContact CA-O 3.29Å; T547-L551 WeakPolarHBondContact CA-O 3.46Å
548Q95.4Very high95Very high75 Ų7527.5 Ų27.535%0.3516%0.156SC..Hα-helixtrans-69.5-22176.4-73-168.346.600114.3P265 A268 I272 S544 A545 A546 G550P265-Q548 VanDerWaalsContact CA-NE2 3.32Å; P265-Q548 PolarHBondContact O-NE2 2.86Å; A268-Q548 VanDerWaalsContact CB-NE2 3.29Å; I272-Q548 HydrophobicContact CD1-CB 3.67Å; S544-Q548 PolarHBondContact O-N 3.36Å; A545-Q548 PolarHBondContact O-N 2.89Å; A546-Q548 VanDerWaalsContact C-N 3.3Å; A546-Q548 PolarHBondContact O-N 2.96Å; Q548-G550 PolarHBondContact O-N 3.05Å
549L96.9Very high94.8Very high13 Ų1329.2 Ų29.27%0.06816%0.163CC..THydrogen-bonded Turntrans-810.5171.6-65.1171.4000112.5I272 I307 L311 R314 A545 A546 T547 L551I272-L549 HydrophobicContact CD1-CD2 4.1Å; I272-L549 HydrophobicContact CD1-CG 4.02Å; I272-L549 HydrophobicContact CG1-CD1 4.4Å; I272-L549 HydrophobicContact CG1-CD2 4.17Å; I272-L549 HydrophobicContact CG1-CG 4.17Å; I272-L549 HydrophobicContact CG2-CD2 3.83Å; I307-L549 HydrophobicContact CB-CD1 4.38Å; I307-L549 HydrophobicContact CG1-CD1 4.08Å; I307-L549 HydrophobicContact CG2-CD1 3.89Å; L311-L549 HydrophobicContact CD2-CD1 4.31Å; L311-L549 HydrophobicContact CD2-CD2 3.91Å; L311-L549 HydrophobicContact CG-CD1 4.35Å; R314-L549 VanDerWaalsContact CZ-CD2 3.43Å; A545-L549 VanDerWaalsContact O-CG 3.29Å; A545-L549 WeakPolarHBondContact O-CG 3.44Å; A545-L549 PolarHBondContact O-N 3.05Å; A546-L549 CarbonylContact O-C 3.54Å; A546-L549 WeakPolarHBondContact O-CA 3.42Å; A546-L549 WeakPolarHBondContact O-CB 3.32Å; A546-L549 PolarHBondContact O-N 3.13Å; T547-L549 VanDerWaalsContact C-N 3.27Å; T547-L549 PolarHBondContact O-N 3.39Å; L549-L551 HydrophobicContact CB-CD1 4.48Å; L549-L551 HydrophobicContact CB-CG 4.46Å
550G96Very high94.6Very high48 Ų4834.5 Ų34.550%0.49518%0.183SC..THydrogen-bonded Turntrans86.77.4-177.100000114A546 T547 Q548A546-G550 PolarHBondContact O-N 3.27Å; T547-G550 PolarHBondContact O-N 3.37Å; Q548-G550 PolarHBondContact O-N 3.05Å
551L95.6Very high94.2Very high1 Ų136 Ų361%0.00520%0.197CC..  trans-84.4121.6176.7-58.4170.5000109.5M306 I307 A310 E373 L377 A546 T547 L549M306-L551 HydrophobicContact CB-CD1 4.19Å; M306-L551 HydrophobicContact CE-CD2 3.67Å; I307-L551 HydrophobicContact CG1-CD1 4.06Å; A310-L551 HydrophobicContact CB-CD1 4.48Å; E373-L551 HydrophobicContact CG-CD2 4.08Å; L377-L551 HydrophobicContact CD1-CD2 3.47Å; L377-L551 VanDerWaalsContact CD1-CD2 3.47Å; L377-L551 HydrophobicContact CD1-CG 4.19Å; A546-L551 CarbonylContact C-O 3.52Å; A546-L551 HydrophobicContact CB-CB 4.02Å; A546-L551 HydrophobicContact CB-CD1 4.01Å; A546-L551 VanDerWaalsContact O-CB 3.29Å; A546-L551 WeakPolarHBondContact O-CB 3.45Å; A546-L551 PolarHBondContact O-N 3.32Å; T547-L551 VanDerWaalsContact CA-O 3.29Å; T547-L551 WeakPolarHBondContact CA-O 3.46Å; L549-L551 HydrophobicContact CB-CD1 4.48Å; L549-L551 HydrophobicContact CB-CG 4.46Å
552G90.4Very high93.9Very high30 Ų3038.9 Ų38.931%0.30921%0.211SC..  trans-102.2-72.118000000111.5E373 S554 A555E373-G552 PolarHBondContact OE1-N 2.85Å; G552-S554 PolarHBondContact O-N 3.49Å; G552-A555 VanDerWaalsContact O-CB 3.28Å; G552-A555 WeakPolarHBondContact O-CB 3.48Å; G552-A555 PolarHBondContact O-N 3.43Å
553R90.3Very high93.6Very high192 Ų19239.7 Ų39.773%0.72521%0.214SC*.G310 helixtrans-63.7-44.3-171.4-71.3-178177.2172.61.5111.4E373 A555 V556 L557E373-R553 PolarHBondContact OE1-N 3.31Å; R553-A555 PolarHBondContact O-N 3.36Å; R553-V556 WeakPolarHBondContact O-CG2 3.3Å; R553-V556 PolarHBondContact O-N 3.38Å; R553-L557 WeakPolarHBondContact O-CG 3.46Å; R553-L557 PolarHBondContact O-N 3.11Å
554S93Very high93.3Very high1 Ų144.8 Ų44.81%0.00724%0.237CC..G310 helixtrans-64.9-24.9178.553.20000113.3E373 G552 V556 L557E373-S554 WeakPolarHBondContact OE2-CB 3.29Å; E373-S554 PolarHBondContact OE2-N 3.34Å; E373-S554 PolarHBondContact OE2-OG 3.14Å; G552-S554 PolarHBondContact O-N 3.49Å; S554-V556 VanDerWaalsContact C-N 3.26Å; S554-V556 PolarHBondContact O-N 3.38Å; S554-L557 PolarHBondContact O-N 3.08Å
555A94.2Very high93.2Very high1 Ų144.7 Ų44.71%0.00824%0.236CC..G310 helixtrans-67.8-23.8178.500000113.2L259 R543 A546 G552 R553L259-A555 HydrophobicContact CD2-CB 4.14Å; R543-A555 VanDerWaalsContact CD-O 3.25Å; R543-A555 WeakPolarHBondContact CD-O 3.28Å; R543-A555 WeakPolarHBondContact CG-O 3.5Å; R543-A555 PolarHBondContact NH1-O 2.94Å; A546-A555 HydrophobicContact CB-CB 3.77Å; G552-A555 VanDerWaalsContact O-CB 3.28Å; G552-A555 WeakPolarHBondContact O-CB 3.48Å; G552-A555 PolarHBondContact O-N 3.43Å; R553-A555 PolarHBondContact O-N 3.36Å
556V93.1Very high93Very high11 Ų1144.6 Ų44.67%0.06724%0.235CC..G310 helixtrans-109.72.8-179.9-64.40000114.2L255 E256 L259 G535 R553 S554 P558L255-V556 HydrophobicContact CB-CB 4.13Å; L255-V556 HydrophobicContact CB-CG1 4.14Å; E256-V556 HydrophobicContact CB-CG1 4.42Å; E256-V556 HydrophobicContact CG-CB 4.47Å; E256-V556 HydrophobicContact CG-CG1 3.73Å; E256-V556 HydrophobicContact CG-CG2 3.94Å; L259-V556 HydrophobicContact CD2-CG1 4.01Å; G535-V556 WeakPolarHBondContact CA-O 3.31Å; G535-V556 CarbonylContact O-C 3.51Å; G535-V556 WeakPolarHBondContact O-CA 3.41Å; R553-V556 WeakPolarHBondContact O-CG2 3.3Å; R553-V556 PolarHBondContact O-N 3.38Å; S554-V556 VanDerWaalsContact C-N 3.26Å; S554-V556 PolarHBondContact O-N 3.38Å; V556-P558 WeakPolarHBondContact O-CD 3.45Å
557L92.3Very high92.9Very high58 Ų5848.4 Ų48.430%0.30425%0.25SC..PPolyproline II helixtrans-65.2127178.3-73.6177.2000111.3T366 R543 R553 S554 K559T366-L557 HydrophobicContact CG2-CD1 3.47Å; T366-L557 VanDerWaalsContact CG2-CD1 3.47Å; R543-L557 PolarHBondContact NH1-O 2.87Å; R543-L557 PolarHBondContact NH2-O 2.6Å; R553-L557 WeakPolarHBondContact O-CG 3.46Å; R553-L557 PolarHBondContact O-N 3.11Å; S554-L557 PolarHBondContact O-N 3.08Å; L557-K559 PolarHBondContact O-N 3.28Å
558P91.4Very high92.7Very high70 Ų7045.3 Ų45.346%0.45523%0.23SC..PPolyproline II helixtrans-59.6137.5173.7-25.435000111.6V556 R560V556-P558 WeakPolarHBondContact O-CD 3.45Å; P558-R560 PolarHBondContact O-N 3.23Å
559K91.1Very high92.2Very high37 Ų3742.9 Ų42.916%0.16122%0.223CC..PPolyproline II helixtrans-65.5129.9178.6-175.353.2158.9590110.5D304 D455 G460 R534 L557D304-K559 WeakPolarHBondContact OD2-CE 2.9Å; D455-K559 VanDerWaalsContact CG-NZ 3.31Å; D455-K559 WeakPolarHBondContact OD1-CE 3.34Å; D455-K559 IonicContact OD1-NZ 3.16Å; D455-K559 PolarHBondContact OD1-NZ 2.88Å; D455-K559 VanDerWaalsContact OD1-NZ 3.09Å; D455-K559 VanDerWaalsContact OD2-CE 3.28Å; D455-K559 WeakPolarHBondContact OD2-CE 3.38Å; D455-K559 IonicContact OD2-NZ 2.67Å; D455-K559 PolarHBondContact OD2-NZ 3.48Å; G460-K559 WeakPolarHBondContact O-CG 3.43Å; R534-K559 PolarHBondContact NH2-O 3.35Å; L557-K559 PolarHBondContact O-N 3.28Å
560R90.8Very high91.4Very high110 Ų11047.5 Ų47.542%0.41524%0.243SC..  trans-118.5138.1170.7-168.1178.9-64.2121.5-0.7109.3D363 P558 F564D363-R560 IonicContact OD1-NH1 2.68Å; P558-R560 PolarHBondContact O-N 3.23Å; R560-F564 HydrophobicContact CG-CB 4.34Å
561A89.4Confident90.3Very high38 Ų3846.9 Ų46.931%0.31423%0.228SC..  trans-74.1138.4171.300000109.7Q563 F564 G565A561-Q563 PolarHBondContact O-N 3.3Å; A561-Q563 VanDerWaalsContact O-N 3.14Å; A561-F564 HydrophobicContact CB-CD2 3.83Å; A561-F564 HydrophobicContact CB-CE2 4.23Å; A561-F564 PolarHBondContact O-N 3.23Å; A561-G565 PolarHBondContact O-N 3.34Å
562M91.4Very high89.2Confident62 Ų6248 Ų4831%0.30523%0.233SC..Hα-helixtrans-54.3-36.1-174.3176172.658.400113.2I418 A421 V422 F564 G565 S566I418-M562 HydrophobicContact CG2-CE 3.84Å; A421-M562 HydrophobicContact CB-CE 4.04Å; A421-M562 HydrophobicContact CB-CG 3.98Å; A421-M562 HydrophobicContact CB-SD 4.01Å; V422-M562 HydrophobicContact CG2-CE 3.4Å; V422-M562 VanDerWaalsContact CG2-CE 3.4Å; V422-M562 HydrophobicContact CG2-SD 4.4Å; M562-F564 PolarHBondContact O-N 2.91Å; M562-G565 PolarHBondContact O-N 3.45Å; M562-S566 VanDerWaalsContact O-CB 3.31Å; M562-S566 WeakPolarHBondContact O-CB 3.49Å; M562-S566 PolarHBondContact O-N 3.04Å; M562-S566 PolarHBondContact O-OG 2.99Å
563Q89.9Confident88.3Confident16 Ų1651 Ų518%0.07524%0.241CC..Hα-helixtrans-62.9-30179.171-177.81.600113.5A561 V568 A569A561-Q563 PolarHBondContact O-N 3.3Å; A561-Q563 VanDerWaalsContact O-N 3.14Å; Q563-V568 HydrophobicContact CB-CG1 3.87Å; Q563-V568 PolarHBondContact O-N 2.79Å; Q563-A569 HydrophobicContact CB-CB 4.22Å; Q563-A569 HydrophobicContact CG-CB 4.26Å; Q563-A569 PolarHBondContact O-N 3.16Å
564F91.9Very high87.5Confident108 Ų10851.6 Ų51.647%0.47424%0.244SC..Hα-helixtrans-89-33.3177.6-57.9-56.7000112R560 A561 M562 A569R560-F564 HydrophobicContact CG-CB 4.34Å; A561-F564 HydrophobicContact CB-CD2 3.83Å; A561-F564 HydrophobicContact CB-CE2 4.23Å; A561-F564 PolarHBondContact O-N 3.23Å; M562-F564 PolarHBondContact O-N 2.91Å; F564-A569 HydrophobicContact CD1-CB 4.16Å; F564-A569 HydrophobicContact CE1-CB 4.23Å
565G93.2Very high86.7Confident0 Ų062.2 Ų62.20%028%0.284CS..Hα-helixtrans-75.9-41.2-178.100000114.2V361 P362 D363 A561 M562 R567V361-G565 WeakPolarHBondContact CG2-O 3.36Å; P362-G565 WeakPolarHBondContact CD-O 3.5Å; D363-G565 PolarHBondContact N-O 2.89Å; D363-G565 WeakPolarHBondContact OD1-CA 3.26Å; D363-G565 VanDerWaalsContact OD2-C 3.27Å; D363-G565 VanDerWaalsContact OD2-CA 3.25Å; D363-G565 WeakPolarHBondContact OD2-CA 3.39Å; A561-G565 PolarHBondContact O-N 3.34Å; M562-G565 PolarHBondContact O-N 3.45Å; G565-R567 VanDerWaalsContact C-N 3.3Å
566S94.6Very high86.2Confident0 Ų064.7 Ų64.70%030%0.295CS..SBendtrans-76.3-18171.567.10000113.4F329 D363 M562F329-S566 WeakPolarHBondContact CB-O 3.28Å; F329-S566 PolarHBondContact N-O 3.48Å; D363-S566 PolarHBondContact OD2-N 2.94Å; M562-S566 VanDerWaalsContact O-CB 3.31Å; M562-S566 WeakPolarHBondContact O-CB 3.49Å; M562-S566 PolarHBondContact O-N 3.04Å; M562-S566 PolarHBondContact O-OG 2.99Å
567R94.1Very high85.8Confident80 Ų8071 Ų7130%0.30232%0.322SS..  trans73.612.8-177-59.7-74.9-164.9-1704.2116.7L331 V361 G565 A569 K570L331-R567 HydrophobicContact CD2-CB 4.33Å; L331-R567 HydrophobicContact CD2-CG 3.89Å; V361-R567 HydrophobicContact CB-CB 4.45Å; V361-R567 HydrophobicContact CB-CG 3.7Å; V361-R567 HydrophobicContact CG1-CB 3.97Å; V361-R567 HydrophobicContact CG1-CG 3.57Å; G565-R567 VanDerWaalsContact C-N 3.3Å; R567-A569 VanDerWaalsContact C-N 3.29Å; R567-A569 PolarHBondContact O-N 2.83Å; R567-K570 WeakPolarHBondContact O-CB 3.48Å; R567-K570 PolarHBondContact O-N 2.77Å
568V91.6Very high85.4Confident0 Ų070.4 Ų70.40%033%0.325CS..G310 helixtrans-54.6-42.7172.864.60000112.7F329 L395 S417 C420 A421 Q563 K570 M571F329-V568 HydrophobicContact CD1-CB 4.22Å; F329-V568 HydrophobicContact CD1-CG2 4.21Å; F329-V568 HydrophobicContact CD2-CB 3.62Å; F329-V568 HydrophobicContact CD2-CG2 4.39Å; F329-V568 HydrophobicContact CE1-CB 4.23Å; F329-V568 HydrophobicContact CE1-CG2 3.96Å; F329-V568 HydrophobicContact CE2-CB 3.65Å; F329-V568 HydrophobicContact CE2-CG1 4.46Å; F329-V568 HydrophobicContact CE2-CG2 4.16Å; F329-V568 HydrophobicContact CG-CB 3.92Å; F329-V568 HydrophobicContact CG-CG2 4.41Å; F329-V568 HydrophobicContact CZ-CB 3.96Å; F329-V568 HydrophobicContact CZ-CG2 3.93Å; L395-V568 HydrophobicContact CD2-CG2 4.31Å; S417-V568 WeakPolarHBondContact O-CG1 3.42Å; C420-V568 HydrophobicContact CB-CG2 4.14Å; A421-V568 HydrophobicContact CB-CG1 4.33Å; Q563-V568 HydrophobicContact CB-CG1 3.87Å; Q563-V568 PolarHBondContact O-N 2.79Å; V568-K570 PolarHBondContact O-N 2.98Å; V568-M571 WeakPolarHBondContact O-CB 3.46Å; V568-M571 PolarHBondContact O-N 2.81Å
569A85.4Confident85.2Confident24 Ų2471.8 Ų71.820%0.19834%0.336CS..G310 helixtrans-64.9-15.1179.200000113.6Q563 F564 R567Q563-A569 HydrophobicContact CB-CB 4.22Å; Q563-A569 HydrophobicContact CG-CB 4.26Å; Q563-A569 PolarHBondContact O-N 3.16Å; F564-A569 HydrophobicContact CD1-CB 4.16Å; F564-A569 HydrophobicContact CE1-CB 4.23Å; R567-A569 VanDerWaalsContact C-N 3.29Å; R567-A569 PolarHBondContact O-N 2.83Å
570K79.7Confident85.2Confident111 Ų11173 Ų7348%0.48334%0.344SS..G310 helixtrans-85.9-10.5174.5-74.3-71.1-175.3-177.60113R567 V568 E572R567-K570 WeakPolarHBondContact O-CB 3.48Å; R567-K570 PolarHBondContact O-N 2.77Å; V568-K570 PolarHBondContact O-N 2.98Å; K570-E572 VanDerWaalsContact C-N 3.3Å
571M73.9Confident85.1Confident35 Ų3574.4 Ų74.417%0.17235%0.354CS..SBendtrans-86.6-6.2172.6-53.6-175.887.900112.3F329 P392 L395 V568F329-M571 HydrophobicContact CB-CG 4.39Å; F329-M571 HydrophobicContact CB-SD 3.55Å; F329-M571 VanDerWaalsContact CB-SD 3.55Å; F329-M571 HydrophobicContact CD1-SD 3.52Å; F329-M571 VanDerWaalsContact CD1-SD 3.52Å; F329-M571 HydrophobicContact CG-SD 3.9Å; P392-M571 HydrophobicContact CB-CE 3.64Å; P392-M571 HydrophobicContact CG-CE 3.46Å; P392-M571 VanDerWaalsContact CG-CE 3.46Å; L395-M571 HydrophobicContact CD2-CB 4.24Å; L395-M571 HydrophobicContact CD2-CE 4.16Å; L395-M571 HydrophobicContact CD2-SD 3.47Å; L395-M571 WeakPolarHBondContact CD2-SD 3.47Å; V568-M571 WeakPolarHBondContact O-CB 3.46Å; V568-M571 PolarHBondContact O-N 2.81Å
572E71.5Confident85Confident25 Ų2572.6 Ų72.612%0.11734%0.339CS..SBendtrans-94.3167.6-179.4-60.3177.5160.300111.9R399 V413 S417 K570 R574 R584R399-E572 IonicContact NH2-OE1 2.81Å; V413-E572 VanDerWaalsContact CG1-OE2 3.29Å; V413-E572 WeakPolarHBondContact CG1-OE2 3.15Å; S417-E572 PolarHBondContact OG-OE1 3.3Å; S417-E572 PolarHBondContact OG-OE2 3Å; S417-E572 VanDerWaalsContact OG-OE2 3.11Å; K570-E572 VanDerWaalsContact C-N 3.3Å; E572-R574 PolarHBondContact O-N 2.8Å; E572-R584 IonicContact OE1-NH2 4Å; E572-R584 IonicContact OE2-NH2 3.28Å
573D72Confident84.8Confident91 Ų9178.8 Ų78.849%0.48736%0.359SS..  trans-65.9124175.3-172-15.2000109.9R575 E576D573-R575 PolarHBondContact O-N 3.21Å; D573-R575 WeakPolarHBondContact OD1-CB 3.19Å; D573-R575 PolarHBondContact OD1-N 3.09Å; D573-E576 HydrophobicContact CB-CG 4.21Å; D573-E576 PolarHBondContact O-N 3.4Å; D573-E576 VanDerWaalsContact O-N 3.16Å
574R72.3Confident84.6Confident206 Ų20680.3 Ų80.378%0.77736%0.364SS*.THydrogen-bonded Turntrans-62.9-13.6-179.9-63.1-176.8-179.8-175.42.3113.5E572E572-R574 PolarHBondContact O-N 2.8Å
575R77.8Confident84.2Confident223 Ų22375.3 Ų75.384%0.84234%0.342SS*.THydrogen-bonded Turntrans-85.7-17.5179.7-64.9179177.5-179.10.1113.4D573D573-R575 PolarHBondContact O-N 3.21Å; D573-R575 WeakPolarHBondContact OD1-CB 3.19Å; D573-R575 PolarHBondContact OD1-N 3.09Å
576E82.3Confident83.1Confident54 Ų5480.2 Ų80.225%0.25237%0.367SS..  trans-81.5140.1179.8-67178.6163.800111.4V413 D573 R584V413-E576 HydrophobicContact CG2-CB 4.15Å; V413-E576 WeakPolarHBondContact CG2-OE2 3.5Å; D573-E576 HydrophobicContact CB-CG 4.21Å; D573-E576 PolarHBondContact O-N 3.4Å; D573-E576 VanDerWaalsContact O-N 3.16Å; E576-R584 IonicContact OE1-NH1 2.84Å; E576-R584 PolarHBondContact OE1-NH1 3.01Å; E576-R584 IonicContact OE2-CZ 2.92Å; E576-R584 IonicContact OE2-NH1 3.19Å; E576-R584 PolarHBondContact OE2-NH1 3.16Å; E576-R584 IonicContact OE2-NH2 2.72Å; E576-R584 PolarHBondContact OE2-NH2 3.17Å
577K84.9Confident81.4Confident144 Ų14484.8 Ų84.863%0.62640%0.395SS*.  trans-90.9152.3170-58.1177-179175.50109.6S579 D580K577-S579 PolarHBondContact O-N 2.65Å; K577-S579 VanDerWaalsContact O-N 3.1Å; K577-D580 WeakPolarHBondContact CB-OD2 3.48Å; K577-D580 PolarHBondContact N-OD2 2.88Å; K577-D580 WeakPolarHBondContact O-CB 3.4Å; K577-D580 PolarHBondContact O-N 2.84Å
578A84Confident79.4Confident45 Ų4585.2 Ų85.237%0.37243%0.425SS..THydrogen-bonded Turntrans-55.1-32.2179.100000113.5L414L414-A578 HydrophobicContact CB-CB 4.16Å; L414-A578 WeakPolarHBondContact CB-O 3.41Å; L414-A578 PolarHBondContact N-O 2.7Å
579S87.5Confident78.8Confident99 Ų9989.5 Ų89.569%0.69245%0.446SS*.THydrogen-bonded Turntrans-83.1-10.2178.4550000114.6K577K577-S579 PolarHBondContact O-N 2.65Å; K577-S579 VanDerWaalsContact O-N 3.1Å
580D90.1Very high78.4Confident61 Ų6192.9 Ų92.933%0.32646%0.459SS..SBendtrans-70.9151.1-177.5-63.9-15.4000110S412 V413 K577 C582S412-D580 CarbonylContact C-O 3.4Å; S412-D580 VanDerWaalsContact CA-O 3.26Å; S412-D580 WeakPolarHBondContact CA-O 3.47Å; V413-D580 HydrophobicContact CG2-CB 4.43Å; V413-D580 PolarHBondContact N-O 2.86Å; K577-D580 WeakPolarHBondContact CB-OD2 3.48Å; K577-D580 PolarHBondContact N-OD2 2.88Å; K577-D580 WeakPolarHBondContact O-CB 3.4Å; K577-D580 PolarHBondContact O-N 2.84Å; D580-C582 PolarHBondContact O-N 2.79Å
581K88.9Confident78.4Confident141 Ų14191.9 Ų91.961%0.61346%0.458SS*.BIsolated β-bridgetrans-63.1125.1171.4-71.3-165.6174.9-125.80110.1D411 R583D411-K581 CarbonylContact O-C 3.46Å; D411-K581 WeakPolarHBondContact O-CA 3.34Å; D411-K581 WeakPolarHBondContact OD2-CE 3.05Å; D411-K581 IonicContact OD2-NZ 3.89Å; D411-K581 PolarHBondContact OD2-NZ 2.84Å; K581-R583 PolarHBondContact O-N 2.71Å
582C88.6Confident78.6Confident0 Ų095.2 Ų95.20%047%0.474CS..  trans-78.9100.9179.8-169.70000110.6D411 V413 D416 D580 R584 L585D411-C582 WeakPolarHBondContact O-CB 3.26Å; D411-C582 PolarHBondContact O-N 3.07Å; V413-C582 HydrophobicContact CG2-CB 4.03Å; D416-C582 HydrophobicContact CB-CB 4.33Å; D580-C582 PolarHBondContact O-N 2.79Å; C582-R584 PolarHBondContact O-N 2.72Å; C582-R584 VanDerWaalsContact O-N 3.16Å; C582-R584 VanDerWaalsContact SG-CZ 3.51Å; C582-R584 PolarHBondContact SG-NH2 3.09Å; C582-L585 HydrophobicContact CB-CD1 3.89Å; C582-L585 HydrophobicContact CB-CG 3.96Å; C582-L585 PolarHBondContact O-N 3.11Å; C582-L585 VanDerWaalsContact O-N 3.15Å
583R85.5Confident79.1Confident191 Ų19199.6 Ų99.672%0.72150%0.497SS*.Hα-helixtrans-60.3-26.8177.2-65.6-177.4179.2-178.4-0.7113K581 L585 L586 T587K581-R583 PolarHBondContact O-N 2.71Å; R583-L585 PolarHBondContact O-N 3.02Å; R583-L586 WeakPolarHBondContact O-CB 3.47Å; R583-L586 PolarHBondContact O-N 3.39Å; R583-T587 PolarHBondContact O-N 3.39Å; R583-T587 PolarHBondContact O-OG1 3.31Å
584R86Confident79.6Confident49 Ų49100.2 Ų100.219%0.18550%0.498CS..Hα-helixtrans-64.7-25.3178.7-61.5174.9-72.9-73.96.4113.5D416 E572 E576 C582 L586D416-R584 IonicContact OD2-NE 3.06Å; D416-R584 PolarHBondContact OD2-NE 3.23Å; D416-R584 IonicContact OD2-NH2 2.71Å; E572-R584 IonicContact OE1-NH2 4Å; E572-R584 IonicContact OE2-NH2 3.28Å; E576-R584 IonicContact OE1-NH1 2.84Å; E576-R584 PolarHBondContact OE1-NH1 3.01Å; E576-R584 IonicContact OE2-CZ 2.92Å; E576-R584 IonicContact OE2-NH1 3.19Å; E576-R584 PolarHBondContact OE2-NH1 3.16Å; E576-R584 IonicContact OE2-NH2 2.72Å; E576-R584 PolarHBondContact OE2-NH2 3.17Å; C582-R584 PolarHBondContact O-N 2.72Å; C582-R584 VanDerWaalsContact O-N 3.16Å; C582-R584 VanDerWaalsContact SG-CZ 3.51Å; C582-R584 PolarHBondContact SG-NH2 3.09Å; R584-L586 VanDerWaalsContact C-N 3.31Å
585L83.2Confident80.1Confident2 Ų292.6 Ų92.61%0.0148%0.478CS..Hα-helixtrans-77.8-22.2173.8-59.9176.7000111.5H160 R404 V407 D416 C582 R583H160-L585 PolarHBondContact NE2-O 2.96Å; R404-L585 HydrophobicContact CB-CD2 4.06Å; V407-L585 HydrophobicContact CB-CD2 4.49Å; V407-L585 HydrophobicContact CG1-CD1 3.84Å; D416-L585 HydrophobicContact CB-CD1 4.1Å; D416-L585 HydrophobicContact CB-CD2 4.04Å; D416-L585 HydrophobicContact CB-CG 4.14Å; D416-L585 WeakPolarHBondContact OD1-CD2 3.44Å; C582-L585 HydrophobicContact CB-CD1 3.89Å; C582-L585 HydrophobicContact CB-CG 3.96Å; C582-L585 PolarHBondContact O-N 3.11Å; C582-L585 VanDerWaalsContact O-N 3.15Å; R583-L585 PolarHBondContact O-N 3.02Å
586L70.9Confident80.3Confident103 Ų10382.6 Ų82.654%0.53945%0.45SS..Hα-helixtrans-95.3-27.9-174.5-57.8177.3000113.7R583 R584R583-L586 WeakPolarHBondContact O-CB 3.47Å; R583-L586 PolarHBondContact O-N 3.39Å; R584-L586 VanDerWaalsContact C-N 3.31Å
587T59.6Low80.1Confident96 Ų9685 Ų8559%0.58947%0.466SS*.  trans-92.7115.2-179.854.60000110.4R583R583-T587 PolarHBondContact O-N 3.39Å; R583-T587 PolarHBondContact O-OG1 3.31Å
588G51.7Low79.6Confident89 Ų8979.6 Ų79.692%0.91845%0.451SS*.  trans-87.30173.300000114.7R400R400-G588 WeakPolarHBondContact CD-OXT 3.25Å; R400-G588 WeakPolarHBondContact CG-OXT 3.44Å

Retrieved 588 of 588 residues in 115.3 ms (Link to these results)

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