A0A3Q0KSU4_SCHMA Loading...

Putative vasodilator-stimulated phosphoprotein/sprouty protein evh1 domain containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KSU4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 595 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
1M38.4Very low64.3Low238 Ų238117.6 Ų117.6100%1.17262%0.624SS**  0131.20-74.6147.2152.200108.3S3M1-S3 PolarHBondContact O-N 3.27Å
2S41.1Very low66.9Low120 Ų120110.8 Ų110.884%0.83959%0.59SS**  trans-76.2119.3170.8-58.50000108.1V4S2-V4 PolarHBondContact O-N 3.35Å; S2-V4 VanDerWaalsContact O-N 3.14Å
3S46.1Very low69.2Low102 Ų102102.5 Ų102.571%0.71355%0.547SS*.  trans-56.3121.6172.4168.80000108.9M1 R5M1-S3 PolarHBondContact O-N 3.27Å; S3-R5 PolarHBondContact O-N 3.11Å
4V50.3Low71.1Confident140 Ų14097.1 Ų97.185%0.84852%0.521SS*.  trans-6592.1160.71790000105.2S2 E6S2-V4 PolarHBondContact O-N 3.35Å; S2-V4 VanDerWaalsContact O-N 3.14Å; V4-E6 PolarHBondContact O-N 3.09Å
5R51.5Low72.9Confident168 Ų16890.7 Ų90.763%0.63449%0.487SS*.  trans-58.6124.7174.3-58.3-175.6-163.9174.44.8106.2S3 L7S3-R5 PolarHBondContact O-N 3.11Å; R5-L7 HydrophobicContact CB-CG 4.34Å; R5-L7 WeakPolarHBondContact O-CG 3.44Å; R5-L7 PolarHBondContact O-N 3.47Å
6E53.9Low74.4Confident161 Ų16188.4 Ų88.475%0.75247%0.472SS*.  trans-65.892.4169.7-167.8-172.9158.800107V4 K8V4-E6 PolarHBondContact O-N 3.09Å; E6-K8 HydrophobicContact CG-CB 4.45Å; E6-K8 PolarHBondContact O-N 2.94Å
7L62.2Low75.8Confident80 Ų8083.2 Ų83.242%0.41944%0.444SS..  trans-75.146.5-176.2-73.9163.5000111R5 E9 Q46 K47 L49R5-L7 HydrophobicContact CB-CG 4.34Å; R5-L7 WeakPolarHBondContact O-CG 3.44Å; R5-L7 PolarHBondContact O-N 3.47Å; L7-E9 PolarHBondContact O-N 3.39Å; L7-Q46 HydrophobicContact CB-CG 4.27Å; L7-Q46 HydrophobicContact CD2-CG 4.25Å; L7-K47 WeakPolarHBondContact CD2-O 3.24Å; L7-L49 HydrophobicContact CD2-CD1 4.23Å; L7-L49 HydrophobicContact CD2-CG 4.48Å
8K84Confident77Confident124 Ų12481.5 Ų81.554%0.53943%0.431SS..  trans-56.7129.5174.4179.1164-173.3166.30109E6 K47E6-K8 HydrophobicContact CG-CB 4.45Å; E6-K8 PolarHBondContact O-N 2.94Å; K8-K47 VanDerWaalsContact O-CB 3.24Å; K8-K47 WeakPolarHBondContact O-CB 3.4Å; K8-K47 WeakPolarHBondContact O-CD 3.44Å; K8-K47 WeakPolarHBondContact O-CG 3.49Å; K8-K47 PolarHBondContact O-N 2.71Å
9E92.8Very high78.1Confident62 Ų6277.6 Ų77.629%0.2941%0.411SS..EExtended strand (participates in β ladder)trans-78.6158.7172.7-67176.8139.300111L7 L44 Q45 Q46 R53L7-E9 PolarHBondContact O-N 3.39Å; E9-L44 HydrophobicContact CB-CB 4.34Å; E9-L44 WeakPolarHBondContact OE2-CD1 3.41Å; E9-Q45 CarbonylContact C-O 3.5Å; E9-Q45 WeakPolarHBondContact CA-O 3.37Å; E9-Q46 HydrophobicContact CG-CB 4.41Å; E9-R53 IonicContact OE1-CZ 2.64Å; E9-R53 IonicContact OE1-NE 2.62Å; E9-R53 PolarHBondContact OE1-NE 3.44Å; E9-R53 IonicContact OE1-NH2 3.99Å; E9-R53 PolarHBondContact OE1-NH2 2.89Å; E9-R53 IonicContact OE2-CZ 3.11Å; E9-R53 IonicContact OE2-NE 2.67Å; E9-R53 PolarHBondContact OE2-NE 3.23Å; E9-R53 IonicContact OE2-NH2 2.7Å; E9-R53 PolarHBondContact OE2-NH2 3.39Å
10S92.8Very high79.1Confident34 Ų3474 Ų7424%0.23839%0.392CS..EExtended strand (participates in β ladder)trans-132.4137170.240.70000110.2Q45S10-Q45 PolarHBondContact N-O 3.05Å; S10-Q45 PolarHBondContact O-N 3.49Å
11P94.4Very high80Confident65 Ų6572.8 Ų72.842%0.42238%0.384SS..EExtended strand (participates in β ladder)trans-65.8140.4172.829.4-34.3000110.5I43 L44P11-I43 CarbonylContact C-O 3.53Å; P11-I43 WeakPolarHBondContact CA-O 3.29Å; P11-L44 HydrophobicContact CB-CD2 4.15Å
12V95.2Very high82.8Confident35 Ų3563.4 Ų63.421%0.21234%0.337CS..EExtended strand (participates in β ladder)trans-103.4-35174.7-176.80000110I43 Q45 Y52 V114V12-I43 HydrophobicContact CB-CB 4.23Å; V12-I43 HydrophobicContact CB-CG2 4.13Å; V12-I43 HydrophobicContact CG2-CG2 4.39Å; V12-I43 PolarHBondContact N-O 2.97Å; V12-Q45 HydrophobicContact CG2-CB 3.8Å; V12-Y52 HydrophobicContact CG2-CD1 4.26Å; V12-Y52 HydrophobicContact CG2-CE1 4.1Å; V12-V114 HydrophobicContact CG1-CG2 4.28Å
13A96.5Very high85.4Confident4 Ų459.3 Ų59.33%0.03331%0.306CS..EExtended strand (participates in β ladder)trans-153.7156.6169.800000109.6Q42 I43 A110 V134A13-Q42 VanDerWaalsContact O-CA 3.27Å; A13-Q42 WeakPolarHBondContact O-CA 3.24Å; A13-I43 HydrophobicContact CB-CD1 4.18Å; A13-I43 PolarHBondContact O-N 3.38Å; A13-A110 HydrophobicContact CB-CB 3.62Å; A13-V134 HydrophobicContact CB-CG2 4.36Å
14S96.8Very high87.7Confident26 Ų2659.1 Ų59.118%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-130.2150.2171.6-51.60000109V41 Q42 V134S14-V41 CarbonylContact C-O 3.47Å; S14-V41 WeakPolarHBondContact CA-O 3.36Å; S14-Q42 PolarHBondContact OG-NE2 3.24Å; S14-V134 WeakPolarHBondContact O-CB 3.43Å; S14-V134 WeakPolarHBondContact O-CG1 3.32Å; S14-V134 WeakPolarHBondContact O-CG2 3.2Å
15A97.5Very high89.8Confident1 Ų160.1 Ų60.11%0.00830%0.295CS..EExtended strand (participates in β ladder)trans-158167.3174.300000110.3V41 F98 D103 F107A15-V41 PolarHBondContact N-O 3.36Å; A15-V41 PolarHBondContact O-N 2.86Å; A15-F98 HydrophobicContact CB-CD1 4.25Å; A15-F98 HydrophobicContact CB-CE1 3.72Å; A15-D103 WeakPolarHBondContact CA-OD2 3.27Å; A15-D103 HydrophobicContact CB-CB 4.43Å; A15-D103 WeakPolarHBondContact CB-OD2 3.46Å; A15-F107 HydrophobicContact CB-CD2 3.76Å; A15-F107 HydrophobicContact CB-CE2 4.49Å
16Q97.3Very high91.9Very high54 Ų5456.8 Ų56.825%0.25229%0.29SS..EExtended strand (participates in β ladder)trans-104.3130171-64.2-165-8.500111.7L38 S39 W40 P99 D103Q16-L38 HydrophobicContact CB-CD1 4.07Å; Q16-L38 HydrophobicContact CB-CD2 4.31Å; Q16-L38 HydrophobicContact CB-CG 4.18Å; Q16-L38 VanDerWaalsContact OE1-CD2 3.25Å; Q16-S39 WeakPolarHBondContact CA-O 3.34Å; Q16-W40 HydrophobicContact CG-CD2 4.05Å; Q16-W40 HydrophobicContact CG-CE3 3.63Å; Q16-W40 HydrophobicContact CG-CH2 3.91Å; Q16-W40 HydrophobicContact CG-CZ2 4.31Å; Q16-W40 HydrophobicContact CG-CZ3 3.55Å; Q16-W40 VanDerWaalsContact NE2-CE2 3.33Å; Q16-P99 WeakPolarHBondContact O-CD 3.3Å; Q16-D103 PolarHBondContact N-OD2 2.98Å
17A97.8Very high93.9Very high0 Ų058.1 Ų58.10%029%0.288CS..EExtended strand (participates in β ladder)trans-151154.5-179.200000112.5S39 V41 L96 H97 F98A17-S39 PolarHBondContact N-O 3.47Å; A17-S39 WeakPolarHBondContact O-CB 3.33Å; A17-S39 PolarHBondContact O-N 3.42Å; A17-V41 HydrophobicContact CB-CG2 4.18Å; A17-L96 HydrophobicContact CB-CB 4.15Å; A17-L96 HydrophobicContact CB-CD2 4.07Å; A17-H97 WeakPolarHBondContact CA-O 3.02Å; A17-F98 HydrophobicContact CB-CD1 3.99Å; A17-F98 HydrophobicContact CB-CE1 4.05Å; A17-F98 HydrophobicContact CB-CG 4.35Å; A17-F98 HydrophobicContact CB-CZ 4.44Å
18Y97.5Very high95.5Very high53 Ų5358.2 Ų58.221%0.20829%0.288CS..EExtended strand (participates in β ladder)trans-81.7120.4162.9-61-88.4000108.6R36 S37 L38 H97 P99Y18-R36 HydrophobicContact CD1-CG 3.52Å; Y18-R36 HydrophobicContact CE1-CG 3.98Å; Y18-R36 HydrophobicContact CG-CG 4.34Å; Y18-S37 VanDerWaalsContact CD1-C 3.48Å; Y18-S37 VanDerWaalsContact CD1-O 3.29Å; Y18-S37 WeakPolarHBondContact CD1-O 3.31Å; Y18-L38 HydrophobicContact CD2-CD1 4.32Å; Y18-L38 HydrophobicContact CE1-CB 4.45Å; Y18-L38 HydrophobicContact CE2-CD1 4.2Å; Y18-H97 AromaticContact CD2-ND1 3.83Å; Y18-H97 PolarHBondContact N-O 3.47Å; Y18-H97 PolarHBondContact O-N 3.14Å; Y18-P99 HydrophobicContact CE2-CG 4.2Å
19V97.9Very high96.2Very high7 Ų753.3 Ų53.34%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-90.6126.4-178.3-171.90000110.1S32 V41 V65 V66 L96V19-S32 PolarHBondContact O-N 3.17Å; V19-V41 HydrophobicContact CG2-CG2 3.85Å; V19-V65 HydrophobicContact CB-CB 4.27Å; V19-V65 HydrophobicContact CB-CG2 3.76Å; V19-V65 HydrophobicContact CG1-CB 4.36Å; V19-V65 HydrophobicContact CG1-CG2 4.1Å; V19-V65 HydrophobicContact CG2-CG2 3.6Å; V19-V66 HydrophobicContact CG1-CB 3.87Å; V19-V66 HydrophobicContact CG1-CG1 3.93Å; V19-V66 HydrophobicContact CG2-CG1 4.37Å; V19-L96 HydrophobicContact CB-CD2 4.33Å; V19-L96 HydrophobicContact CG1-CD2 4.28Å; V19-L96 HydrophobicContact CG2-CD2 3.75Å
20L98.1Very high96.4Very high6 Ų653.9 Ų53.93%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-123.9149.2-176.1-68.7157.3000109.8W29 L30 F82 Y94 G95 H97L20-W29 HydrophobicContact CB-CB 4.45Å; L20-W29 HydrophobicContact CB-CE3 3.93Å; L20-W29 HydrophobicContact CD2-CB 4.32Å; L20-L30 CarbonylContact C-O 3.54Å; L20-L30 WeakPolarHBondContact CA-O 3.42Å; L20-F82 HydrophobicContact CD1-CE2 3.82Å; L20-Y94 WeakPolarHBondContact O-CA 3.15Å; L20-G95 PolarHBondContact N-O 2.87Å; L20-G95 PolarHBondContact O-N 3.21Å; L20-H97 HydrophobicContact CD1-CB 4.36Å
21Q97.5Very high96.6Very high49 Ų4954 Ų5423%0.22927%0.271CS..EExtended strand (participates in β ladder)trans-125.3133.8169.4-164.7-168.2-71.800108.8N23 L30 R92 V93 Y94Q21-N23 PolarHBondContact O-N 3Å; Q21-L30 PolarHBondContact N-O 2.95Å; Q21-L30 PolarHBondContact O-N 3Å; Q21-R92 HydrophobicContact CG-CB 4.47Å; Q21-V93 WeakPolarHBondContact CA-O 3.37Å; Q21-Y94 HydrophobicContact CB-CD1 4.42Å; Q21-Y94 HydrophobicContact CB-CE1 4.47Å; Q21-Y94 HydrophobicContact CG-CD1 4.32Å; Q21-Y94 HydrophobicContact CG-CE1 4.21Å
22F97.9Very high96.6Very high41 Ų4151.6 Ų51.618%0.1826%0.256CS..EExtended strand (participates in β ladder)trans-75.5125177-168.3-108.8000110.3T24 R27 W29 V93F22-T24 HydrophobicContact CD1-CG2 4.18Å; F22-T24 HydrophobicContact CE1-CG2 4.46Å; F22-R27 VanDerWaalsContact CE2-C 3.49Å; F22-R27 VanDerWaalsContact CE2-O 3.23Å; F22-R27 WeakPolarHBondContact CE2-O 3.47Å; F22-R27 HydrophobicContact CZ-CB 4Å; F22-W29 HydrophobicContact CB-CD2 4.12Å; F22-W29 HydrophobicContact CB-CE3 3.81Å; F22-W29 HydrophobicContact CB-CH2 4.18Å; F22-W29 HydrophobicContact CB-CZ2 4.44Å; F22-W29 HydrophobicContact CB-CZ3 3.83Å; F22-W29 AromaticContact CD2-CD1 3.96Å; F22-W29 AromaticContact CD2-CD2 3.82Å; F22-W29 HydrophobicContact CD2-CD2 3.82Å; F22-W29 AromaticContact CD2-CE2 3.71Å; F22-W29 HydrophobicContact CD2-CE3 4.39Å; F22-W29 HydrophobicContact CD2-CG 4.05Å; F22-W29 HydrophobicContact CD2-CZ2 4.26Å; F22-W29 AromaticContact CD2-NE1 3.78Å; F22-W29 HydrophobicContact CG-CD2 4.48Å; F22-V93 HydrophobicContact CB-CB 4Å; F22-V93 HydrophobicContact CB-CG1 4.47Å; F22-V93 PolarHBondContact N-O 2.99Å
23N96Very high96.4Very high34 Ų3451.6 Ų51.618%0.18226%0.263CS..  trans-81.3121.8162.9-171.31.9000108.8Q21 E25 D26 R27 I28 L30Q21-N23 PolarHBondContact O-N 3Å; N23-E25 VanDerWaalsContact C-N 3.32Å; N23-E25 PolarHBondContact OD1-N 2.97Å; N23-D26 HydrophobicContact CB-CB 4.37Å; N23-D26 VanDerWaalsContact ND2-CG 3.33Å; N23-D26 PolarHBondContact ND2-OD2 2.9Å; N23-R27 WeakPolarHBondContact O-CA 3.5Å; N23-R27 PolarHBondContact O-N 2.78Å; N23-I28 PolarHBondContact N-O 2.81Å; N23-L30 HydrophobicContact CB-CD1 4.06Å; N23-L30 HydrophobicContact CB-CG 4.48Å
24T94.2Very high96.2Very high97 Ų9754.5 Ų54.560%0.59529%0.293SS*.THydrogen-bonded Turntrans-72.5-23.6177.242.10000113.9F22F22-T24 HydrophobicContact CD1-CG2 4.18Å; F22-T24 HydrophobicContact CE1-CG2 4.46Å
25E95.2Very high96Very high161 Ų16156.1 Ų56.175%0.75230%0.302SS*.THydrogen-bonded Turntrans-77.1-63.1-178.5-61.6174173.700110N23 R27N23-E25 VanDerWaalsContact C-N 3.32Å; N23-E25 PolarHBondContact OD1-N 2.97Å; E25-R27 VanDerWaalsContact C-N 3.26Å; E25-R27 PolarHBondContact O-N 2.67Å
26D94.9Very high95.7Very high99 Ų9960.5 Ų60.553%0.52932%0.319SS..THydrogen-bonded Turntrans-68.6-22.3176.6-59-36.3000113.6N23 I28N23-D26 HydrophobicContact CB-CB 4.37Å; N23-D26 VanDerWaalsContact ND2-CG 3.33Å; N23-D26 PolarHBondContact ND2-OD2 2.9Å; D26-I28 VanDerWaalsContact C-N 3.27Å; D26-I28 HydrophobicContact CB-CB 4.47Å; D26-I28 HydrophobicContact CB-CD1 3.73Å; D26-I28 HydrophobicContact CB-CG1 3.71Å; D26-I28 HydrophobicContact CB-CG2 4.3Å; D26-I28 PolarHBondContact O-N 3.25Å
27R95.5Very high95.5Very high189 Ų18959 Ų5971%0.71331%0.314SS*.  trans63.626.6-173.2-47.5178.3-171.9177.23114.4F22 N23 E25F22-R27 VanDerWaalsContact CE2-C 3.49Å; F22-R27 VanDerWaalsContact CE2-O 3.23Å; F22-R27 WeakPolarHBondContact CE2-O 3.47Å; F22-R27 HydrophobicContact CZ-CB 4Å; N23-R27 WeakPolarHBondContact O-CA 3.5Å; N23-R27 PolarHBondContact O-N 2.78Å; E25-R27 VanDerWaalsContact C-N 3.26Å; E25-R27 PolarHBondContact O-N 2.67Å
28I96.3Very high95.4Very high81 Ų8161.3 Ų61.342%0.41533%0.326SS..  trans-109.7160.4178.369.2-168.6000111.5N23 D26 L30N23-I28 PolarHBondContact N-O 2.81Å; D26-I28 VanDerWaalsContact C-N 3.27Å; D26-I28 HydrophobicContact CB-CB 4.47Å; D26-I28 HydrophobicContact CB-CD1 3.73Å; D26-I28 HydrophobicContact CB-CG1 3.71Å; D26-I28 HydrophobicContact CB-CG2 4.3Å; D26-I28 PolarHBondContact O-N 3.25Å; I28-L30 HydrophobicContact CD1-CD2 3.69Å; I28-L30 HydrophobicContact CD1-CG 4.35Å; I28-L30 HydrophobicContact CG1-CD2 3.91Å; I28-L30 HydrophobicContact CG1-CG 4.09Å
29W97.4Very high95.4Very high21 Ų2158.9 Ų58.98%0.0832%0.317CS..EExtended strand (participates in β ladder)trans-91.2120.6169-68.594.7000109.9L20 F22 F82 E84 V93 L393L20-W29 HydrophobicContact CB-CB 4.45Å; L20-W29 HydrophobicContact CB-CE3 3.93Å; L20-W29 HydrophobicContact CD2-CB 4.32Å; F22-W29 HydrophobicContact CB-CD2 4.12Å; F22-W29 HydrophobicContact CB-CE3 3.81Å; F22-W29 HydrophobicContact CB-CH2 4.18Å; F22-W29 HydrophobicContact CB-CZ2 4.44Å; F22-W29 HydrophobicContact CB-CZ3 3.83Å; F22-W29 AromaticContact CD2-CD1 3.96Å; F22-W29 AromaticContact CD2-CD2 3.82Å; F22-W29 HydrophobicContact CD2-CD2 3.82Å; F22-W29 AromaticContact CD2-CE2 3.71Å; F22-W29 HydrophobicContact CD2-CE3 4.39Å; F22-W29 HydrophobicContact CD2-CG 4.05Å; F22-W29 HydrophobicContact CD2-CZ2 4.26Å; F22-W29 AromaticContact CD2-NE1 3.78Å; F22-W29 HydrophobicContact CG-CD2 4.48Å; W29-F82 AromaticContact CD2-CZ 3.93Å; W29-F82 HydrophobicContact CD2-CZ 3.93Å; W29-F82 AromaticContact CE2-CE1 3.95Å; W29-F82 AromaticContact CE2-CZ 3.62Å; W29-F82 HydrophobicContact CE3-CZ 4.13Å; W29-F82 HydrophobicContact CH2-CE1 4.05Å; W29-F82 AromaticContact CH2-CZ 3.67Å; W29-F82 HydrophobicContact CH2-CZ 3.67Å; W29-F82 AromaticContact CZ2-CE1 3.58Å; W29-F82 HydrophobicContact CZ2-CE1 3.58Å; W29-F82 AromaticContact CZ2-CZ 3.48Å; W29-F82 HydrophobicContact CZ2-CZ 3.48Å; W29-F82 VanDerWaalsContact CZ2-CZ 3.48Å; W29-F82 HydrophobicContact CZ3-CZ 4.02Å; W29-E84 HydrophobicContact CH2-CB 4.02Å; W29-E84 HydrophobicContact CZ2-CB 4.45Å; W29-E84 WeakPolarHBondContact CZ2-OE2 3.16Å; W29-V93 HydrophobicContact CH2-CG1 3.74Å; W29-V93 HydrophobicContact CZ3-CG1 4.32Å; W29-L393 HydrophobicContact CB-CD1 3.89Å; W29-L393 HydrophobicContact CB-CD2 4.49Å; W29-L393 HydrophobicContact CG-CD1 4.16Å; W29-L393 HydrophobicContact CG-CD2 4.01Å
30L97.2Very high95.4Very high74 Ų7462.5 Ų62.539%0.38733%0.33SS..EExtended strand (participates in β ladder)trans-102.1146.6176.4-65.3178.9000110.3L20 Q21 N23 I28 S32L20-L30 CarbonylContact C-O 3.54Å; L20-L30 WeakPolarHBondContact CA-O 3.42Å; Q21-L30 PolarHBondContact N-O 2.95Å; Q21-L30 PolarHBondContact O-N 3Å; N23-L30 HydrophobicContact CB-CD1 4.06Å; N23-L30 HydrophobicContact CB-CG 4.48Å; I28-L30 HydrophobicContact CD1-CD2 3.69Å; I28-L30 HydrophobicContact CD1-CG 4.35Å; I28-L30 HydrophobicContact CG1-CD2 3.91Å; I28-L30 HydrophobicContact CG1-CG 4.09Å; L30-S32 PolarHBondContact O-N 3.12Å
31P97Very high95.4Very high37 Ų3762.2 Ų62.224%0.2433%0.328CS..EExtended strand (participates in β ladder)trans-60.2126172-22.434.5000111.2G33 G34 T35 R36P31-G33 PolarHBondContact O-N 3.34Å; P31-G34 WeakPolarHBondContact O-CA 3.4Å; P31-G34 PolarHBondContact O-N 3.12Å; P31-T35 WeakPolarHBondContact CB-O 3.42Å; P31-R36 HydrophobicContact CB-CB 4.21Å; P31-R36 VanDerWaalsContact CB-N 3.32Å; P31-R36 HydrophobicContact CG-CB 3.85Å
32S95.4Very high95.4Very high15 Ų1561 Ų6111%0.10532%0.322CS..THydrogen-bonded Turntrans-70.6132.6174.1-157.40000108.8V19 L30 G34 V65V19-S32 PolarHBondContact O-N 3.17Å; L30-S32 PolarHBondContact O-N 3.12Å; S32-G34 VanDerWaalsContact C-N 3.34Å; S32-V65 WeakPolarHBondContact CB-O 3.41Å; S32-V65 VanDerWaalsContact O-CG1 3.28Å; S32-V65 WeakPolarHBondContact O-CG1 3.28Å; S32-V65 PolarHBondContact OG-O 3.39Å
33G91.7Very high95.4Very high35 Ų3559 Ų5936%0.36131%0.314SS..THydrogen-bonded Turntrans82.53.5-164.800000115.3P31 T35 Q63P31-G33 PolarHBondContact O-N 3.34Å; G33-T35 VanDerWaalsContact C-N 3.27Å; G33-T35 PolarHBondContact O-N 3.44Å; G33-Q63 PolarHBondContact O-OE1 3.38Å
34G91.3Very high95.4Very high65 Ų6558.2 Ų58.267%0.6731%0.309SS*.SBendtrans80.9-9.8172.300000116P31 S32P31-G34 WeakPolarHBondContact O-CA 3.4Å; P31-G34 PolarHBondContact O-N 3.12Å; S32-G34 VanDerWaalsContact C-N 3.34Å
35T91.5Very high95.5Very high60 Ų6055.1 Ų55.137%0.36829%0.288SS..SBendtrans-127.2133.4174.666.80000111.2P31 G33 S37 R58P31-T35 WeakPolarHBondContact CB-O 3.42Å; G33-T35 VanDerWaalsContact C-N 3.27Å; G33-T35 PolarHBondContact O-N 3.44Å; T35-S37 PolarHBondContact O-N 3.41Å; T35-S37 PolarHBondContact O-OG 3.03Å; T35-R58 PolarHBondContact OG1-NH1 3.15Å
36R91.4Very high95.4Very high93 Ų9350.2 Ų50.235%0.35127%0.265SS..  trans-69.1119.7170.5-177.2164.4150.7-86.51.4109.1Y18 P31 E385 L389Y18-R36 HydrophobicContact CD1-CG 3.52Å; Y18-R36 HydrophobicContact CE1-CG 3.98Å; Y18-R36 HydrophobicContact CG-CG 4.34Å; P31-R36 HydrophobicContact CB-CB 4.21Å; P31-R36 VanDerWaalsContact CB-N 3.32Å; P31-R36 HydrophobicContact CG-CB 3.85Å; R36-E385 IonicContact CZ-OE2 2.64Å; R36-E385 IonicContact NH1-OE2 3.42Å; R36-E385 PolarHBondContact NH1-OE2 3.44Å; R36-E385 IonicContact NH2-OE2 3.38Å; R36-E385 PolarHBondContact NH2-OE2 2.96Å; R36-L389 VanDerWaalsContact CD-CD1 3.49Å; R36-L389 VanDerWaalsContact NE-CD1 3.27Å
37S93.6Very high95Very high22 Ų2250.5 Ų50.515%0.15426%0.262CS..  trans-155.9150-172.451.80000109.6Y18 T35 R58Y18-S37 VanDerWaalsContact CD1-C 3.48Å; Y18-S37 VanDerWaalsContact CD1-O 3.29Å; Y18-S37 WeakPolarHBondContact CD1-O 3.31Å; T35-S37 PolarHBondContact O-N 3.41Å; T35-S37 PolarHBondContact O-OG 3.03Å; S37-R58 WeakPolarHBondContact OG-CD 3.33Å; S37-R58 VanDerWaalsContact OG-CG 3.29Å; S37-R58 WeakPolarHBondContact OG-CG 3.42Å
38L95.7Very high94.4Very high49 Ų4944.5 Ų44.526%0.25726%0.259SS..EExtended strand (participates in β ladder)trans-76.4130175.7-166.361.1000109.1Q16 Y18 Q59 P99Q16-L38 HydrophobicContact CB-CD1 4.07Å; Q16-L38 HydrophobicContact CB-CD2 4.31Å; Q16-L38 HydrophobicContact CB-CG 4.18Å; Q16-L38 VanDerWaalsContact OE1-CD2 3.25Å; Y18-L38 HydrophobicContact CD2-CD1 4.32Å; Y18-L38 HydrophobicContact CE1-CB 4.45Å; Y18-L38 HydrophobicContact CE2-CD1 4.2Å; L38-Q59 PolarHBondContact O-N 3.47Å; L38-P99 HydrophobicContact CD1-CG 3.63Å
39S97.5Very high94Very high1 Ų144.1 Ų44.11%0.00726%0.257CS..EExtended strand (participates in β ladder)trans-120.6145.4-176.1-57.30000110.1Q16 A17 W57Q16-S39 WeakPolarHBondContact CA-O 3.34Å; A17-S39 PolarHBondContact N-O 3.47Å; A17-S39 WeakPolarHBondContact O-CB 3.33Å; A17-S39 PolarHBondContact O-N 3.42Å; S39-W57 CarbonylContact C-O 3.6Å; S39-W57 WeakPolarHBondContact CA-O 3.29Å; S39-W57 VanDerWaalsContact CB-O 3.23Å; S39-W57 WeakPolarHBondContact CB-O 3.49Å
40W97.1Very high93.7Very high84 Ų8446.8 Ų46.832%0.31827%0.273SS..EExtended strand (participates in β ladder)trans-71.9136.9159.4-81.8116.9000108.5Q16 G56 W57 Q59Q16-W40 HydrophobicContact CG-CD2 4.05Å; Q16-W40 HydrophobicContact CG-CE3 3.63Å; Q16-W40 HydrophobicContact CG-CH2 3.91Å; Q16-W40 HydrophobicContact CG-CZ2 4.31Å; Q16-W40 HydrophobicContact CG-CZ3 3.55Å; Q16-W40 VanDerWaalsContact NE2-CE2 3.33Å; W40-G56 CarbonylContact O-C 3.6Å; W40-G56 WeakPolarHBondContact O-CA 3.34Å; W40-W57 HydrophobicContact CB-CD2 4.07Å; W40-W57 HydrophobicContact CB-CE3 4.49Å; W40-W57 HydrophobicContact CB-CH2 4.18Å; W40-W57 HydrophobicContact CB-CZ2 3.71Å; W40-W57 AromaticContact CD1-NE1 3.97Å; W40-W57 HydrophobicContact CG-CZ2 4.19Å; W40-W57 PolarHBondContact N-O 3.15Å; W40-W57 PolarHBondContact O-N 2.9Å; W40-Q59 VanDerWaalsContact CD1-CD 3.44Å
41V98.3Very high93.6Very high0 Ų044.9 Ų44.90%027%0.268CS..EExtended strand (participates in β ladder)trans-132.2129.3176-1740000108.6S14 A15 A17 V19 I54 V55 L96 F107S14-V41 CarbonylContact C-O 3.47Å; S14-V41 WeakPolarHBondContact CA-O 3.36Å; A15-V41 PolarHBondContact N-O 3.36Å; A15-V41 PolarHBondContact O-N 2.86Å; A17-V41 HydrophobicContact CB-CG2 4.18Å; V19-V41 HydrophobicContact CG2-CG2 3.85Å; V41-I54 HydrophobicContact CG1-CG2 3.6Å; V41-V55 CarbonylContact C-O 3.55Å; V41-V55 WeakPolarHBondContact CA-O 3.35Å; V41-L96 HydrophobicContact CG1-CD1 4.02Å; V41-L96 HydrophobicContact CG1-CD2 4.26Å; V41-L96 HydrophobicContact CG2-CD2 3.94Å; V41-F107 HydrophobicContact CG1-CE2 4.02Å; V41-F107 HydrophobicContact CG1-CZ 3.91Å
42Q97.9Very high93.6Very high22 Ų2243.4 Ų43.410%0.10326%0.258CS..EExtended strand (participates in β ladder)trans-126.7147.1-178.4-63.7-167.1-42.700111.5A13 S14 L44 I54 V55 W57A13-Q42 VanDerWaalsContact O-CA 3.27Å; A13-Q42 WeakPolarHBondContact O-CA 3.24Å; S14-Q42 PolarHBondContact OG-NE2 3.24Å; Q42-L44 HydrophobicContact CB-CD2 3.97Å; Q42-L44 HydrophobicContact CB-CG 4.43Å; Q42-I54 CarbonylContact O-C 3.57Å; Q42-I54 WeakPolarHBondContact O-CA 3.39Å; Q42-V55 PolarHBondContact N-O 2.7Å; Q42-V55 PolarHBondContact O-N 2.74Å; Q42-W57 HydrophobicContact CG-CH2 3.95Å; Q42-W57 HydrophobicContact CG-CZ3 4.06Å
43I98.1Very high93.7Very high0 Ų045.2 Ų45.20%026%0.262CS..EExtended strand (participates in β ladder)trans-93.4117.5161.7-55.2169.5000106.4P11 V12 A13 L70 F107 A110 I111 V114P11-I43 CarbonylContact C-O 3.53Å; P11-I43 WeakPolarHBondContact CA-O 3.29Å; V12-I43 HydrophobicContact CB-CB 4.23Å; V12-I43 HydrophobicContact CB-CG2 4.13Å; V12-I43 HydrophobicContact CG2-CG2 4.39Å; V12-I43 PolarHBondContact N-O 2.97Å; A13-I43 HydrophobicContact CB-CD1 4.18Å; A13-I43 PolarHBondContact O-N 3.38Å; I43-L70 HydrophobicContact CG2-CD1 4.18Å; I43-F107 HydrophobicContact CD1-CE1 4.23Å; I43-F107 HydrophobicContact CD1-CE2 4.27Å; I43-F107 HydrophobicContact CD1-CZ 4.08Å; I43-F107 HydrophobicContact CG1-CE1 4.21Å; I43-F107 HydrophobicContact CG1-CE2 3.87Å; I43-F107 HydrophobicContact CG1-CZ 3.62Å; I43-A110 HydrophobicContact CD1-CB 3.68Å; I43-I111 HydrophobicContact CD1-CD1 3.55Å; I43-I111 HydrophobicContact CD1-CG1 3.77Å; I43-I111 HydrophobicContact CG1-CD1 3.98Å; I43-V114 HydrophobicContact CG2-CG2 4.26Å
44L97Very high94Very high17 Ų1743.5 Ų43.59%0.08925%0.245CC..EExtended strand (participates in β ladder)trans-104.3135.3177.6-57.6-177.2000110.1E9 P11 Q42 Y52 R53 V55E9-L44 HydrophobicContact CB-CB 4.34Å; E9-L44 WeakPolarHBondContact OE2-CD1 3.41Å; P11-L44 HydrophobicContact CB-CD2 4.15Å; Q42-L44 HydrophobicContact CB-CD2 3.97Å; Q42-L44 HydrophobicContact CB-CG 4.43Å; L44-Y52 CarbonylContact O-C 3.56Å; L44-Y52 VanDerWaalsContact O-CA 3.23Å; L44-Y52 WeakPolarHBondContact O-CA 3.42Å; L44-R53 HydrophobicContact CB-CG 4.23Å; L44-R53 PolarHBondContact N-O 2.91Å; L44-R53 PolarHBondContact O-N 3.45Å; L44-V55 HydrophobicContact CD1-CB 4.07Å; L44-V55 HydrophobicContact CD1-CG2 3.79Å; L44-V55 HydrophobicContact CG-CG2 4.41Å
45Q95.7Very high94.3Very high33 Ų3340.7 Ų40.715%0.15422%0.215CC..EExtended strand (participates in β ladder)trans-103.5134.5166.4-178.8169.83.600110.3E9 S10 V12 L49 Y52E9-Q45 CarbonylContact C-O 3.5Å; E9-Q45 WeakPolarHBondContact CA-O 3.37Å; S10-Q45 PolarHBondContact N-O 3.05Å; S10-Q45 PolarHBondContact O-N 3.49Å; V12-Q45 HydrophobicContact CG2-CB 3.8Å; Q45-L49 PolarHBondContact NE2-O 2.75Å; Q45-Y52 HydrophobicContact CB-CD1 3.66Å; Q45-Y52 HydrophobicContact CB-CE1 3.49Å; Q45-Y52 VanDerWaalsContact CB-CE1 3.49Å; Q45-Y52 VanDerWaalsContact CD-CE1 3.45Å; Q45-Y52 VanDerWaalsContact CD-CZ 3.4Å; Q45-Y52 HydrophobicContact CG-CD1 3.97Å; Q45-Y52 HydrophobicContact CG-CE1 3.53Å; Q45-Y52 HydrophobicContact CG-CE2 4.49Å; Q45-Y52 PolarHBondContact NE2-OH 3.44Å; Q45-Y52 VanDerWaalsContact NE2-OH 3.12Å; Q45-Y52 PolarHBondContact OE1-OH 3.11Å; Q45-Y52 VanDerWaalsContact OE1-OH 3.05Å
46Q92.7Very high94.6Very high57 Ų5737.9 Ų37.927%0.26620%0.197SC..EExtended strand (participates in β ladder)trans-79.1117.8169-167.4176.78.200110.4L7 E9 G48 L49 A51L7-Q46 HydrophobicContact CB-CG 4.27Å; L7-Q46 HydrophobicContact CD2-CG 4.25Å; E9-Q46 HydrophobicContact CG-CB 4.41Å; Q46-G48 PolarHBondContact O-N 3.34Å; Q46-L49 HydrophobicContact CG-CD1 4.27Å; Q46-L49 PolarHBondContact O-N 3.41Å; Q46-A51 HydrophobicContact CB-CB 4.2Å; Q46-A51 PolarHBondContact N-O 3.06Å
47K86.5Confident94.9Very high106 Ų10634.7 Ų34.746%0.46119%0.185SC..THydrogen-bonded Turntrans-60.6134.9-172.1-76.7179.1-177.3-165.30113L7 K8 L49L7-K47 WeakPolarHBondContact CD2-O 3.24Å; K8-K47 VanDerWaalsContact O-CB 3.24Å; K8-K47 WeakPolarHBondContact O-CB 3.4Å; K8-K47 WeakPolarHBondContact O-CD 3.44Å; K8-K47 WeakPolarHBondContact O-CG 3.49Å; K8-K47 PolarHBondContact O-N 2.71Å; K47-L49 VanDerWaalsContact C-N 3.26Å; K47-L49 PolarHBondContact O-N 3.07Å
48G83.7Confident94.9Very high63 Ų6336 Ų3665%0.64919%0.187SC*.THydrogen-bonded Turntrans76.38.4-179.900000114.8Q46Q46-G48 PolarHBondContact O-N 3.34Å
49L87.8Confident94.5Very high73 Ų7337.2 Ų37.238%0.38219%0.191SC..SBendtrans-131.8153.6171.4-62.2177.1000110.2L7 Q45 Q46 K47 A51L7-L49 HydrophobicContact CD2-CD1 4.23Å; L7-L49 HydrophobicContact CD2-CG 4.48Å; Q45-L49 PolarHBondContact NE2-O 2.75Å; Q46-L49 HydrophobicContact CG-CD1 4.27Å; Q46-L49 PolarHBondContact O-N 3.41Å; K47-L49 VanDerWaalsContact C-N 3.26Å; K47-L49 PolarHBondContact O-N 3.07Å; L49-A51 HydrophobicContact CB-CB 4.08Å; L49-A51 PolarHBondContact O-N 2.72Å; L49-A51 VanDerWaalsContact O-N 3.16Å
50D90.4Very high94Very high77 Ų7743 Ų4341%0.41223%0.229SC..SBendtrans-87.157.7164.9-64.3-68.2000109.7Y52 R117 L118D50-Y52 HydrophobicContact CB-CE2 4.39Å; D50-R117 IonicContact OD1-CZ 2.7Å; D50-R117 IonicContact OD1-NE 3.97Å; D50-R117 PolarHBondContact OD1-NE 3.35Å; D50-R117 IonicContact OD1-NH2 3.68Å; D50-R117 PolarHBondContact OD1-NH2 2.98Å; D50-L118 WeakPolarHBondContact O-CD2 3.36Å
51A94.3Very high93.7Very high34 Ų3442.7 Ų42.728%0.28123%0.233SC..  trans-121.4126.4177.300000109.2Q46 L49Q46-A51 HydrophobicContact CB-CB 4.2Å; Q46-A51 PolarHBondContact N-O 3.06Å; L49-A51 HydrophobicContact CB-CB 4.08Å; L49-A51 PolarHBondContact O-N 2.72Å; L49-A51 VanDerWaalsContact O-N 3.16Å
52Y97.2Very high93.4Very high5 Ų546.4 Ų46.42%0.0225%0.253CS..EExtended strand (participates in β ladder)trans-136148.5-171.9-61.7-98.3000111.3V12 L44 Q45 D50 L70 V114 R117 L118V12-Y52 HydrophobicContact CG2-CD1 4.26Å; V12-Y52 HydrophobicContact CG2-CE1 4.1Å; L44-Y52 CarbonylContact O-C 3.56Å; L44-Y52 VanDerWaalsContact O-CA 3.23Å; L44-Y52 WeakPolarHBondContact O-CA 3.42Å; Q45-Y52 HydrophobicContact CB-CD1 3.66Å; Q45-Y52 HydrophobicContact CB-CE1 3.49Å; Q45-Y52 VanDerWaalsContact CB-CE1 3.49Å; Q45-Y52 VanDerWaalsContact CD-CE1 3.45Å; Q45-Y52 VanDerWaalsContact CD-CZ 3.4Å; Q45-Y52 HydrophobicContact CG-CD1 3.97Å; Q45-Y52 HydrophobicContact CG-CE1 3.53Å; Q45-Y52 HydrophobicContact CG-CE2 4.49Å; Q45-Y52 PolarHBondContact NE2-OH 3.44Å; Q45-Y52 VanDerWaalsContact NE2-OH 3.12Å; Q45-Y52 PolarHBondContact OE1-OH 3.11Å; Q45-Y52 VanDerWaalsContact OE1-OH 3.05Å; D50-Y52 HydrophobicContact CB-CE2 4.39Å; Y52-L70 PolarHBondContact O-N 2.94Å; Y52-V114 HydrophobicContact CD1-CB 4.42Å; Y52-V114 HydrophobicContact CD1-CG1 3.69Å; Y52-V114 HydrophobicContact CD1-CG2 3.79Å; Y52-V114 HydrophobicContact CD2-CG1 3.73Å; Y52-V114 HydrophobicContact CE1-CG1 4.18Å; Y52-V114 HydrophobicContact CE1-CG2 3.78Å; Y52-V114 HydrophobicContact CE2-CG1 4.23Å; Y52-V114 HydrophobicContact CG-CG1 3.45Å; Y52-V114 VanDerWaalsContact CG-CG1 3.45Å; Y52-V114 HydrophobicContact CG-CG2 4.42Å; Y52-R117 WeakPolarHBondContact OH-CD 3.48Å; Y52-R117 PolarHBondContact OH-NE 3.36Å; Y52-R117 PolarHBondContact OH-NH1 2.94Å; Y52-L118 HydrophobicContact CD2-CD1 4.17Å; Y52-L118 HydrophobicContact CD2-CD2 4.01Å; Y52-L118 HydrophobicContact CD2-CG 4.07Å; Y52-L118 HydrophobicContact CE2-CD2 4.36Å; Y52-L118 HydrophobicContact CE2-CG 4.37Å
53R97.7Very high93.3Very high53 Ų5348.9 Ų48.920%0.227%0.265CS..EExtended strand (participates in β ladder)trans-145.2147174.455174.1-177.1143.7-0.5112.8E9 L44 V55 N67 S68E9-R53 IonicContact OE1-CZ 2.64Å; E9-R53 IonicContact OE1-NE 2.62Å; E9-R53 PolarHBondContact OE1-NE 3.44Å; E9-R53 IonicContact OE1-NH2 3.99Å; E9-R53 PolarHBondContact OE1-NH2 2.89Å; E9-R53 IonicContact OE2-CZ 3.11Å; E9-R53 IonicContact OE2-NE 2.67Å; E9-R53 PolarHBondContact OE2-NE 3.23Å; E9-R53 IonicContact OE2-NH2 2.7Å; E9-R53 PolarHBondContact OE2-NH2 3.39Å; L44-R53 HydrophobicContact CB-CG 4.23Å; L44-R53 PolarHBondContact N-O 2.91Å; L44-R53 PolarHBondContact O-N 3.45Å; R53-V55 HydrophobicContact CG-CG2 3.88Å; R53-N67 WeakPolarHBondContact CD-OD1 3.42Å; R53-N67 PolarHBondContact NH1-OD1 2.92Å; R53-S68 CarbonylContact C-O 3.57Å; R53-S68 WeakPolarHBondContact CA-O 3.37Å; R53-S68 WeakPolarHBondContact CB-O 3.42Å
54I98.3Very high93.2Very high0 Ų052.7 Ų52.70%029%0.288CS..EExtended strand (participates in β ladder)trans-84.8120.2164.8-61.8171.4000107.4V41 Q42 V66 N67 S68 L70 Y76 W85 F107 I111V41-I54 HydrophobicContact CG1-CG2 3.6Å; Q42-I54 CarbonylContact O-C 3.57Å; Q42-I54 WeakPolarHBondContact O-CA 3.39Å; I54-V66 HydrophobicContact CG2-CG1 4.26Å; I54-N67 CarbonylContact O-C 3.57Å; I54-N67 WeakPolarHBondContact O-CA 3.44Å; I54-S68 PolarHBondContact N-O 3.02Å; I54-S68 PolarHBondContact O-N 3.01Å; I54-L70 HydrophobicContact CD1-CD2 3.9Å; I54-L70 HydrophobicContact CG1-CD1 4.26Å; I54-L70 HydrophobicContact CG1-CD2 4.07Å; I54-L70 HydrophobicContact CG1-CG 4.29Å; I54-Y76 HydrophobicContact CD1-CE2 4.28Å; I54-W85 HydrophobicContact CB-CZ2 4.22Å; I54-W85 HydrophobicContact CD1-CD2 4.22Å; I54-W85 HydrophobicContact CD1-CE3 4.35Å; I54-W85 HydrophobicContact CD1-CH2 3.72Å; I54-W85 HydrophobicContact CD1-CZ2 3.53Å; I54-W85 HydrophobicContact CD1-CZ3 4.12Å; I54-W85 HydrophobicContact CG1-CZ2 4.47Å; I54-W85 HydrophobicContact CG2-CH2 4.1Å; I54-W85 HydrophobicContact CG2-CZ2 4.11Å; I54-F107 HydrophobicContact CD1-CE1 4.39Å; I54-F107 HydrophobicContact CG1-CZ 4.43Å; I54-F107 HydrophobicContact CG2-CZ 4.36Å; I54-I111 HydrophobicContact CD1-CD1 3.79Å; I54-I111 HydrophobicContact CG1-CD1 4.11Å
55V98.1Very high93.2Very high6 Ų652.1 Ų52.14%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-122137.3173.5-179.40000108.4V41 Q42 L44 R53 V66V41-V55 CarbonylContact C-O 3.55Å; V41-V55 WeakPolarHBondContact CA-O 3.35Å; Q42-V55 PolarHBondContact N-O 2.7Å; Q42-V55 PolarHBondContact O-N 2.74Å; L44-V55 HydrophobicContact CD1-CB 4.07Å; L44-V55 HydrophobicContact CD1-CG2 3.79Å; L44-V55 HydrophobicContact CG-CG2 4.41Å; R53-V55 HydrophobicContact CG-CG2 3.88Å; V55-V66 CarbonylContact C-O 3.46Å; V55-V66 WeakPolarHBondContact CA-O 3.38Å
56G97.6Very high93.3Very high0 Ų050.7 Ų50.70%028%0.278CS..EExtended strand (participates in β ladder)trans-149.1147176.900000113W40 V64 V65 V66W40-G56 CarbonylContact O-C 3.6Å; W40-G56 WeakPolarHBondContact O-CA 3.34Å; G56-V64 CarbonylContact O-C 3.58Å; G56-V64 WeakPolarHBondContact O-CA 3.11Å; G56-V65 WeakPolarHBondContact O-CG2 3.49Å; G56-V65 PolarHBondContact O-N 2.7Å; G56-V66 PolarHBondContact N-O 2.95Å; G56-V66 PolarHBondContact O-N 3.5Å
57W97.1Very high93.5Very high27 Ų2752 Ų5210%0.10229%0.287CS..EExtended strand (participates in β ladder)trans-137140.6-174.862.994.7000112.5S39 W40 Q42 N62 Q63 P144S39-W57 CarbonylContact C-O 3.6Å; S39-W57 WeakPolarHBondContact CA-O 3.29Å; S39-W57 VanDerWaalsContact CB-O 3.23Å; S39-W57 WeakPolarHBondContact CB-O 3.49Å; W40-W57 HydrophobicContact CB-CD2 4.07Å; W40-W57 HydrophobicContact CB-CE3 4.49Å; W40-W57 HydrophobicContact CB-CH2 4.18Å; W40-W57 HydrophobicContact CB-CZ2 3.71Å; W40-W57 AromaticContact CD1-NE1 3.97Å; W40-W57 HydrophobicContact CG-CZ2 4.19Å; W40-W57 PolarHBondContact N-O 3.15Å; W40-W57 PolarHBondContact O-N 2.9Å; Q42-W57 HydrophobicContact CG-CH2 3.95Å; Q42-W57 HydrophobicContact CG-CZ3 4.06Å; W57-N62 PolarHBondContact NE1-OD1 3.49Å; W57-Q63 CarbonylContact C-O 3.53Å; W57-Q63 WeakPolarHBondContact CA-O 3.19Å; W57-P144 HydrophobicContact CD2-CG 4.39Å; W57-P144 HydrophobicContact CZ2-CG 4.26Å
58R94.8Very high94.1Very high50 Ų5047 Ų4719%0.18927%0.265CS..EExtended strand (participates in β ladder)trans-65.8138.4178.3174.216974.8161.30.5110.7T35 S37 D61 N62 Q63 V65T35-R58 PolarHBondContact OG1-NH1 3.15Å; S37-R58 WeakPolarHBondContact OG-CD 3.33Å; S37-R58 VanDerWaalsContact OG-CG 3.29Å; S37-R58 WeakPolarHBondContact OG-CG 3.42Å; R58-D61 WeakPolarHBondContact CB-OD1 3.48Å; R58-D61 WeakPolarHBondContact CG-OD1 3.46Å; R58-D61 IonicContact CZ-OD1 3.82Å; R58-D61 IonicContact CZ-OD2 2.78Å; R58-D61 VanDerWaalsContact NE-CG 3.32Å; R58-D61 IonicContact NE-OD1 3.62Å; R58-D61 PolarHBondContact NE-OD1 3.37Å; R58-D61 IonicContact NE-OD2 2.66Å; R58-D61 PolarHBondContact NE-OD2 3.34Å; R58-D61 VanDerWaalsContact NH2-CG 3.3Å; R58-D61 IonicContact NH2-OD1 2.65Å; R58-D61 IonicContact NH2-OD2 3.59Å; R58-D61 PolarHBondContact NH2-OD2 3Å; R58-N62 VanDerWaalsContact O-CA 3.23Å; R58-N62 WeakPolarHBondContact O-CA 3.24Å; R58-N62 PolarHBondContact O-N 2.94Å; R58-Q63 HydrophobicContact CB-CB 4.46Å; R58-Q63 PolarHBondContact N-O 3.4Å; R58-V65 HydrophobicContact CB-CG1 4.11Å
59Q86.8Confident94.7Very high74 Ų7446.3 Ų46.335%0.34625%0.249SC..THydrogen-bonded Turntrans-93.2141.4165.2-65.9178.779.200109.6L38 W40L38-Q59 PolarHBondContact O-N 3.47Å; W40-Q59 VanDerWaalsContact CD1-CD 3.44Å
60P86.8Confident95.2Very high123 Ų12343 Ų4380%0.79923%0.232SC*.THydrogen-bonded Turncis-94.3-4.1-0.137.8-36.1000114.7N62P60-N62 VanDerWaalsContact C-N 3.33Å; P60-N62 PolarHBondContact O-N 3.23Å; P60-N62 PolarHBondContact O-ND2 3.46Å
61D90.6Very high95.4Very high76 Ų7643.7 Ų43.741%0.40623%0.231SC..THydrogen-bonded Turntrans-81.6-7.4-168.482.9-41.5000115.1R58 Q63R58-D61 WeakPolarHBondContact CB-OD1 3.48Å; R58-D61 WeakPolarHBondContact CG-OD1 3.46Å; R58-D61 IonicContact CZ-OD1 3.82Å; R58-D61 IonicContact CZ-OD2 2.78Å; R58-D61 VanDerWaalsContact NE-CG 3.32Å; R58-D61 IonicContact NE-OD1 3.62Å; R58-D61 PolarHBondContact NE-OD1 3.37Å; R58-D61 IonicContact NE-OD2 2.66Å; R58-D61 PolarHBondContact NE-OD2 3.34Å; R58-D61 VanDerWaalsContact NH2-CG 3.3Å; R58-D61 IonicContact NH2-OD1 2.65Å; R58-D61 IonicContact NH2-OD2 3.59Å; R58-D61 PolarHBondContact NH2-OD2 3Å; D61-Q63 PolarHBondContact O-N 3.08Å; D61-Q63 PolarHBondContact OD1-N 2.98Å; D61-Q63 VanDerWaalsContact OD2-CB 3.3Å; D61-Q63 WeakPolarHBondContact OD2-CB 3.27Å
62N92.7Very high95.4Very high78 Ų7844.8 Ų44.842%0.41724%0.24SC..  trans59.125-178.7-55-59.8000114.7W57 R58 P60 V64 P144W57-N62 PolarHBondContact NE1-OD1 3.49Å; R58-N62 VanDerWaalsContact O-CA 3.23Å; R58-N62 WeakPolarHBondContact O-CA 3.24Å; R58-N62 PolarHBondContact O-N 2.94Å; P60-N62 VanDerWaalsContact C-N 3.33Å; P60-N62 PolarHBondContact O-N 3.23Å; P60-N62 PolarHBondContact O-ND2 3.46Å; N62-V64 PolarHBondContact O-N 3.19Å; N62-P144 HydrophobicContact CB-CB 4.5Å
63Q95Very high95.2Very high74 Ų7447.8 Ų47.835%0.34627%0.273SS..  trans-63.5124.5170.7179-177.8113.300110.1G33 W57 R58 D61 V65G33-Q63 PolarHBondContact O-OE1 3.38Å; W57-Q63 CarbonylContact C-O 3.53Å; W57-Q63 WeakPolarHBondContact CA-O 3.19Å; R58-Q63 HydrophobicContact CB-CB 4.46Å; R58-Q63 PolarHBondContact N-O 3.4Å; D61-Q63 PolarHBondContact O-N 3.08Å; D61-Q63 PolarHBondContact OD1-N 2.98Å; D61-Q63 VanDerWaalsContact OD2-CB 3.3Å; D61-Q63 WeakPolarHBondContact OD2-CB 3.27Å; Q63-V65 PolarHBondContact O-N 3.43Å
64V96.8Very high95.2Very high80 Ų8046.3 Ų46.349%0.48527%0.268SS..EExtended strand (participates in β ladder)trans-68.4113.3174.9179.80000109.6G56 N62 V66 N67G56-V64 CarbonylContact O-C 3.58Å; G56-V64 WeakPolarHBondContact O-CA 3.11Å; N62-V64 PolarHBondContact O-N 3.19Å; V64-V66 WeakPolarHBondContact CG1-O 3.5Å; V64-N67 HydrophobicContact CG1-CB 4.17Å
65V97.1Very high95.1Very high6 Ų652.2 Ų52.24%0.03630%0.296CS..EExtended strand (participates in β ladder)trans-101.5-18.2-177.8-68.30000112.9V19 S32 G56 R58 Q63V19-V65 HydrophobicContact CB-CB 4.27Å; V19-V65 HydrophobicContact CB-CG2 3.76Å; V19-V65 HydrophobicContact CG1-CB 4.36Å; V19-V65 HydrophobicContact CG1-CG2 4.1Å; V19-V65 HydrophobicContact CG2-CG2 3.6Å; S32-V65 WeakPolarHBondContact CB-O 3.41Å; S32-V65 VanDerWaalsContact O-CG1 3.28Å; S32-V65 WeakPolarHBondContact O-CG1 3.28Å; S32-V65 PolarHBondContact OG-O 3.39Å; G56-V65 WeakPolarHBondContact O-CG2 3.49Å; G56-V65 PolarHBondContact O-N 2.7Å; R58-V65 HydrophobicContact CB-CG1 4.11Å; Q63-V65 PolarHBondContact O-N 3.43Å
66V97.9Very high95Very high2 Ų253.3 Ų53.31%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-147.1142.4168.960.10000110.8V19 I54 V55 G56 V64 W85 Y94V19-V66 HydrophobicContact CG1-CB 3.87Å; V19-V66 HydrophobicContact CG1-CG1 3.93Å; V19-V66 HydrophobicContact CG2-CG1 4.37Å; I54-V66 HydrophobicContact CG2-CG1 4.26Å; V55-V66 CarbonylContact C-O 3.46Å; V55-V66 WeakPolarHBondContact CA-O 3.38Å; G56-V66 PolarHBondContact N-O 2.95Å; G56-V66 PolarHBondContact O-N 3.5Å; V64-V66 WeakPolarHBondContact CG1-O 3.5Å; V66-W85 HydrophobicContact CG2-CZ2 4.04Å; V66-Y94 HydrophobicContact CB-CD1 4.43Å; V66-Y94 HydrophobicContact CB-CE1 4.35Å; V66-Y94 HydrophobicContact CG2-CD1 3.96Å; V66-Y94 HydrophobicContact CG2-CD2 4.06Å; V66-Y94 HydrophobicContact CG2-CE1 4.01Å; V66-Y94 HydrophobicContact CG2-CE2 4.11Å; V66-Y94 HydrophobicContact CG2-CG 3.99Å
67N97.5Very high95Very high85 Ų8556.7 Ų56.746%0.45532%0.315SS..EExtended strand (participates in β ladder)trans-15287.5173.8179.218.9000107.4R53 I54 V64R53-N67 WeakPolarHBondContact CD-OD1 3.42Å; R53-N67 PolarHBondContact NH1-OD1 2.92Å; I54-N67 CarbonylContact O-C 3.57Å; I54-N67 WeakPolarHBondContact O-CA 3.44Å; V64-N67 HydrophobicContact CG1-CB 4.17Å
68S97.8Very high94.9Very high0 Ų058.2 Ų58.20%033%0.325CS..EExtended strand (participates in β ladder)trans-126.9128-164.6-171.20000111.2R53 I54 W85 D87R53-S68 CarbonylContact C-O 3.57Å; R53-S68 WeakPolarHBondContact CA-O 3.37Å; R53-S68 WeakPolarHBondContact CB-O 3.42Å; I54-S68 PolarHBondContact N-O 3.02Å; I54-S68 PolarHBondContact O-N 3.01Å; S68-W85 PolarHBondContact OG-NE1 2.98Å; S68-D87 VanDerWaalsContact CA-OD2 3.26Å; S68-D87 WeakPolarHBondContact CA-OD2 3.47Å; S68-D87 WeakPolarHBondContact CB-OD2 3.41Å; S68-D87 PolarHBondContact OG-OD2 3.2Å
69V96.9Very high94.9Very high50 Ų5057.3 Ų57.330%0.30332%0.323SS..EExtended strand (participates in β ladder)trans-84.3130.7-174.4176.80000111.2K71 P88 I89V69-K71 HydrophobicContact CG1-CG 4.32Å; V69-P88 WeakPolarHBondContact O-CD 3.4Å; V69-P88 WeakPolarHBondContact O-CG 3.16Å; V69-I89 HydrophobicContact CB-CD1 3.85Å; V69-I89 HydrophobicContact CG1-CD1 4.4Å; V69-I89 HydrophobicContact CG2-CD1 3.69Å
70L97.4Very high95.2Very high4 Ų456 Ų562%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-84.3137.2172.6-60.1177.1000110I43 Y52 I54 L74 I111 V114 L118I43-L70 HydrophobicContact CG2-CD1 4.18Å; Y52-L70 PolarHBondContact O-N 2.94Å; I54-L70 HydrophobicContact CD1-CD2 3.9Å; I54-L70 HydrophobicContact CG1-CD1 4.26Å; I54-L70 HydrophobicContact CG1-CD2 4.07Å; I54-L70 HydrophobicContact CG1-CG 4.29Å; L70-L74 HydrophobicContact CD2-CD1 3.74Å; L70-I111 HydrophobicContact CD1-CD1 3.92Å; L70-I111 HydrophobicContact CD2-CD1 4.39Å; L70-V114 HydrophobicContact CB-CG1 4.48Å; L70-V114 HydrophobicContact CD1-CG1 3.74Å; L70-L118 HydrophobicContact CB-CD1 4.01Å
71K95.3Very high95.7Very high90 Ų9052.5 Ų52.539%0.39130%0.302SS..  trans-134.1157.7177-64.7-172.1-171.3163.90110.3V69 G73 L74 P88V69-K71 HydrophobicContact CG1-CG 4.32Å; K71-G73 PolarHBondContact O-N 3.12Å; K71-L74 VanDerWaalsContact O-CB 3.27Å; K71-L74 WeakPolarHBondContact O-CB 3.37Å; K71-L74 PolarHBondContact O-N 3.35Å; K71-P88 HydrophobicContact CB-CB 4.43Å; K71-P88 HydrophobicContact CB-CG 4.31Å; K71-P88 HydrophobicContact CD-CB 3.63Å; K71-P88 HydrophobicContact CD-CG 4.33Å; K71-P88 HydrophobicContact CG-CB 4.06Å; K71-P88 HydrophobicContact CG-CG 4.22Å; K71-P88 PolarHBondContact NZ-O 2.96Å
72A94.7Very high96Very high58 Ų5849 Ų4948%0.47928%0.283SS..THydrogen-bonded Turntrans-53137.4168.600000110.7L74 L118A72-L74 VanDerWaalsContact C-N 3.3Å; A72-L74 PolarHBondContact O-N 3.03Å; A72-L118 HydrophobicContact CB-CB 4.28Å; A72-L118 WeakPolarHBondContact CB-O 3.45Å
73G93.1Very high96.3Very high68 Ų6845.3 Ų45.370%0.70126%0.264SS*.THydrogen-bonded Turntrans71.113.3-178.200000116.1K71 E75K71-G73 PolarHBondContact O-N 3.12Å; G73-E75 PolarHBondContact O-N 3.38Å
74L96.4Very high96.4Very high21 Ų2142.1 Ų42.111%0.1125%0.249CC..  trans-65.1125.8168.9177.3156.1000110.2L70 K71 A72 Y76 W85 P88 L115L70-L74 HydrophobicContact CD2-CD1 3.74Å; K71-L74 VanDerWaalsContact O-CB 3.27Å; K71-L74 WeakPolarHBondContact O-CB 3.37Å; K71-L74 PolarHBondContact O-N 3.35Å; A72-L74 VanDerWaalsContact C-N 3.3Å; A72-L74 PolarHBondContact O-N 3.03Å; L74-Y76 HydrophobicContact CD2-CD2 4.27Å; L74-W85 HydrophobicContact CD2-CB 3.98Å; L74-W85 HydrophobicContact CD2-CG 4.5Å; L74-P88 HydrophobicContact CD1-CG 3.74Å; L74-P88 HydrophobicContact CG-CG 4.46Å; L74-L115 HydrophobicContact CB-CD2 3.94Å; L74-L115 HydrophobicContact CD2-CD1 4.03Å; L74-L115 HydrophobicContact CD2-CD2 4.24Å
75E96.1Very high96.5Very high125 Ų12538.5 Ų38.558%0.58423%0.226SC*.  trans-80.4116.4171.5-66.1-170.3170.700110.3G73 Q77G73-E75 PolarHBondContact O-N 3.38Å; E75-Q77 PolarHBondContact OE2-NE2 3.14Å
76Y97.6Very high96.5Very high29 Ų2945 Ų4511%0.11425%0.25CC..EExtended strand (participates in β ladder)trans-113.8118.9174.7-164.9-97.5000107.7I54 L74 I78 H83 W85 F107 L108 I111I54-Y76 HydrophobicContact CD1-CE2 4.28Å; L74-Y76 HydrophobicContact CD2-CD2 4.27Å; Y76-I78 HydrophobicContact CD1-CD1 3.74Å; Y76-I78 HydrophobicContact CE1-CD1 3.58Å; Y76-H83 HydrophobicContact CE1-CB 3.96Å; Y76-H83 AromaticContact CE1-CG 3.96Å; Y76-H83 AromaticContact CE1-ND1 3.51Å; Y76-H83 AromaticContact CZ-ND1 3.67Å; Y76-H83 WeakPolarHBondContact OH-CB 3.23Å; Y76-H83 PolarHBondContact OH-ND1 3.12Å; Y76-W85 HydrophobicContact CD2-CB 3.86Å; Y76-W85 HydrophobicContact CD2-CD2 4.23Å; Y76-W85 AromaticContact CD2-CE3 3.96Å; Y76-W85 HydrophobicContact CD2-CE3 3.96Å; Y76-W85 HydrophobicContact CD2-CG 4.22Å; Y76-W85 HydrophobicContact CE2-CD2 4.06Å; Y76-W85 AromaticContact CE2-CE3 3.43Å; Y76-W85 HydrophobicContact CE2-CE3 3.43Å; Y76-W85 VanDerWaalsContact CE2-CE3 3.43Å; Y76-W85 AromaticContact CE2-CZ3 3.97Å; Y76-W85 HydrophobicContact CE2-CZ3 3.97Å; Y76-F107 WeakPolarHBondContact OH-CD1 3.42Å; Y76-F107 WeakPolarHBondContact OH-CE1 3.4Å; Y76-L108 HydrophobicContact CD1-CD1 4.1Å; Y76-L108 HydrophobicContact CE1-CD1 4.11Å; Y76-I111 HydrophobicContact CD1-CB 4.46Å; Y76-I111 HydrophobicContact CD1-CG2 3.73Å; Y76-I111 HydrophobicContact CD2-CG2 3.91Å; Y76-I111 HydrophobicContact CE1-CB 4.29Å; Y76-I111 HydrophobicContact CE1-CG1 4.18Å; Y76-I111 HydrophobicContact CE1-CG2 4Å; Y76-I111 HydrophobicContact CE2-CD1 4.25Å; Y76-I111 HydrophobicContact CE2-CG1 4.13Å; Y76-I111 HydrophobicContact CE2-CG2 4.19Å; Y76-I111 HydrophobicContact CG-CG2 3.7Å
77Q96.8Very high96.5Very high70 Ų7045.1 Ų45.133%0.32725%0.251SS..EExtended strand (participates in β ladder)trans-116.7148.7-171.1-49.3-17311.200111.1E75 H83 E84E75-Q77 PolarHBondContact OE2-NE2 3.14Å; Q77-H83 WeakPolarHBondContact O-CA 3.22Å; Q77-E84 HydrophobicContact CB-CG 4.01Å; Q77-E84 PolarHBondContact N-O 3.35Å; Q77-E84 PolarHBondContact O-N 3.38Å
78I95.8Very high96.4Very high60 Ų6043.2 Ų43.231%0.30824%0.243SC..EExtended strand (participates in β ladder)trans-129.6130.3-167.6-48.8-64.7000110.7Y76 H83 L108Y76-I78 HydrophobicContact CD1-CD1 3.74Å; Y76-I78 HydrophobicContact CE1-CD1 3.58Å; I78-H83 HydrophobicContact CD1-CB 4.01Å; I78-H83 VanDerWaalsContact CD1-CD2 3.45Å; I78-H83 WeakPolarHBondContact CD1-CD2 3.48Å; I78-H83 VanDerWaalsContact CD1-CG 3.45Å; I78-L108 HydrophobicContact CD1-CD1 3.67Å; I78-L108 HydrophobicContact CD1-CD2 4.08Å; I78-L108 HydrophobicContact CD1-CG 4.39Å; I78-L108 HydrophobicContact CG1-CD1 3.97Å; I78-L108 HydrophobicContact CG1-CD2 3.94Å; I78-L108 HydrophobicContact CG2-CD2 4.49Å
79H94.7Very high96.3Very high30 Ų3048.4 Ų48.414%0.13927%0.27CS..EExtended strand (participates in β ladder)trans-135.976-179.6-59.6-38.5000108.8Q81 F82 E84 A396H79-Q81 PolarHBondContact O-N 2.95Å; H79-F82 HydrophobicContact CB-CB 4.42Å; H79-F82 PolarHBondContact N-O 3.35Å; H79-F82 WeakPolarHBondContact O-CB 3.44Å; H79-F82 PolarHBondContact O-N 3.18Å; H79-F82 VanDerWaalsContact O-N 3.08Å; H79-E84 IonicContact CD2-OE2 3.19Å; H79-A396 HydrophobicContact CB-CB 3.93Å
80G93.1Very high96.3Very high46 Ų4649.4 Ų49.447%0.47428%0.276SS..THydrogen-bonded Turntrans64.7-123.7-172.100000111.4F82G80-F82 PolarHBondContact O-N 3.43Å
81Q96.1Very high96.1Very high51 Ų5152.8 Ų52.824%0.23830%0.3CS..THydrogen-bonded Turntrans-79.91.5174.9-53.9-167.2117.900113.9H79 F98 P99 Q101H79-Q81 PolarHBondContact O-N 2.95Å; Q81-F98 WeakPolarHBondContact O-CD2 3.06Å; Q81-F98 PolarHBondContact O-N 3.19Å; Q81-P99 PolarHBondContact OE1-O 2.87Å; Q81-Q101 HydrophobicContact CG-CB 4.34Å; Q81-Q101 VanDerWaalsContact OE1-CA 3.28Å
82F97.8Very high96.2Very high1 Ų154.3 Ų54.30%0.00430%0.303CS..EExtended strand (participates in β ladder)trans-101.7117.4175.9-172.4-105.2000111.1L20 W29 H79 G80 E84 L96 H97 L393 A396L20-F82 HydrophobicContact CD1-CE2 3.82Å; W29-F82 AromaticContact CD2-CZ 3.93Å; W29-F82 HydrophobicContact CD2-CZ 3.93Å; W29-F82 AromaticContact CE2-CE1 3.95Å; W29-F82 AromaticContact CE2-CZ 3.62Å; W29-F82 HydrophobicContact CE3-CZ 4.13Å; W29-F82 HydrophobicContact CH2-CE1 4.05Å; W29-F82 AromaticContact CH2-CZ 3.67Å; W29-F82 HydrophobicContact CH2-CZ 3.67Å; W29-F82 AromaticContact CZ2-CE1 3.58Å; W29-F82 HydrophobicContact CZ2-CE1 3.58Å; W29-F82 AromaticContact CZ2-CZ 3.48Å; W29-F82 HydrophobicContact CZ2-CZ 3.48Å; W29-F82 VanDerWaalsContact CZ2-CZ 3.48Å; W29-F82 HydrophobicContact CZ3-CZ 4.02Å; H79-F82 HydrophobicContact CB-CB 4.42Å; H79-F82 PolarHBondContact N-O 3.35Å; H79-F82 WeakPolarHBondContact O-CB 3.44Å; H79-F82 PolarHBondContact O-N 3.18Å; H79-F82 VanDerWaalsContact O-N 3.08Å; G80-F82 PolarHBondContact O-N 3.43Å; F82-E84 HydrophobicContact CE1-CB 4.01Å; F82-E84 HydrophobicContact CE1-CG 4.26Å; F82-L96 WeakPolarHBondContact CA-O 3.48Å; F82-H97 HydrophobicContact CD2-CB 4.1Å; F82-L393 HydrophobicContact CD2-CD2 4.35Å; F82-L393 HydrophobicContact CE1-CD2 4.37Å; F82-L393 HydrophobicContact CE2-CD2 4.08Å; F82-L393 HydrophobicContact CZ-CD2 4.08Å; F82-A396 HydrophobicContact CD1-CB 4.26Å
83H98.2Very high96.3Very high2 Ų252.1 Ų52.11%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-109.3147.2174.9-62.6-171.6000110.4Y76 Q77 I78 G95 L96 F98 A104Y76-H83 HydrophobicContact CE1-CB 3.96Å; Y76-H83 AromaticContact CE1-CG 3.96Å; Y76-H83 AromaticContact CE1-ND1 3.51Å; Y76-H83 AromaticContact CZ-ND1 3.67Å; Y76-H83 WeakPolarHBondContact OH-CB 3.23Å; Y76-H83 PolarHBondContact OH-ND1 3.12Å; Q77-H83 WeakPolarHBondContact O-CA 3.22Å; I78-H83 HydrophobicContact CD1-CB 4.01Å; I78-H83 VanDerWaalsContact CD1-CD2 3.45Å; I78-H83 WeakPolarHBondContact CD1-CD2 3.48Å; I78-H83 VanDerWaalsContact CD1-CG 3.45Å; H83-G95 CarbonylContact O-C 3.49Å; H83-G95 VanDerWaalsContact O-CA 3.26Å; H83-G95 WeakPolarHBondContact O-CA 3.17Å; H83-L96 HydrophobicContact CB-CB 4.5Å; H83-L96 PolarHBondContact N-O 3.08Å; H83-L96 PolarHBondContact O-N 3.05Å; H83-F98 HydrophobicContact CB-CE2 4.12Å; H83-F98 AromaticContact CE1-CE2 3.69Å; H83-F98 AromaticContact CG-CE2 3.62Å; H83-F98 AromaticContact ND1-CE2 3.41Å; H83-F98 WeakPolarHBondContact ND1-CE2 3.49Å; H83-A104 PolarHBondContact CE1-O 3.48Å
84E98Very high96.6Very high6 Ų649.6 Ų49.63%0.02825%0.253CS..EExtended strand (participates in β ladder)trans-147.6151.7-178.651.8163.9-110.400113.5W29 Q77 H79 F82 Y94 R400W29-E84 HydrophobicContact CH2-CB 4.02Å; W29-E84 HydrophobicContact CZ2-CB 4.45Å; W29-E84 WeakPolarHBondContact CZ2-OE2 3.16Å; Q77-E84 HydrophobicContact CB-CG 4.01Å; Q77-E84 PolarHBondContact N-O 3.35Å; Q77-E84 PolarHBondContact O-N 3.38Å; H79-E84 IonicContact CD2-OE2 3.19Å; F82-E84 HydrophobicContact CE1-CB 4.01Å; F82-E84 HydrophobicContact CE1-CG 4.26Å; E84-Y94 VanDerWaalsContact CA-O 3.26Å; E84-Y94 WeakPolarHBondContact CA-O 3.44Å; E84-Y94 WeakPolarHBondContact CB-O 3.37Å; E84-R400 VanDerWaalsContact CD-CZ 3.46Å; E84-R400 IonicContact OE1-CZ 3.94Å; E84-R400 IonicContact OE1-NE 2.98Å; E84-R400 PolarHBondContact OE1-NE 3.04Å; E84-R400 IonicContact OE1-NH2 2.97Å; E84-R400 PolarHBondContact OE1-NH2 2.93Å; E84-R400 IonicContact OE2-CZ 3.5Å; E84-R400 IonicContact OE2-NE 2.87Å; E84-R400 PolarHBondContact OE2-NE 3.38Å; E84-R400 VanDerWaalsContact OE2-NE 3.1Å; E84-R400 IonicContact OE2-NH1 2.75Å; E84-R400 IonicContact OE2-NH2 3.43Å; E84-R400 PolarHBondContact OE2-NH2 3.25Å
85W98.4Very high96.6Very high5 Ų548.6 Ų48.62%0.01925%0.248CC..EExtended strand (participates in β ladder)trans-153.5163.3172.668.8102.7000111.6I54 V66 S68 L74 Y76 V93 Y94 L96I54-W85 HydrophobicContact CB-CZ2 4.22Å; I54-W85 HydrophobicContact CD1-CD2 4.22Å; I54-W85 HydrophobicContact CD1-CE3 4.35Å; I54-W85 HydrophobicContact CD1-CH2 3.72Å; I54-W85 HydrophobicContact CD1-CZ2 3.53Å; I54-W85 HydrophobicContact CD1-CZ3 4.12Å; I54-W85 HydrophobicContact CG1-CZ2 4.47Å; I54-W85 HydrophobicContact CG2-CH2 4.1Å; I54-W85 HydrophobicContact CG2-CZ2 4.11Å; V66-W85 HydrophobicContact CG2-CZ2 4.04Å; S68-W85 PolarHBondContact OG-NE1 2.98Å; L74-W85 HydrophobicContact CD2-CB 3.98Å; L74-W85 HydrophobicContact CD2-CG 4.5Å; Y76-W85 HydrophobicContact CD2-CB 3.86Å; Y76-W85 HydrophobicContact CD2-CD2 4.23Å; Y76-W85 AromaticContact CD2-CE3 3.96Å; Y76-W85 HydrophobicContact CD2-CE3 3.96Å; Y76-W85 HydrophobicContact CD2-CG 4.22Å; Y76-W85 HydrophobicContact CE2-CD2 4.06Å; Y76-W85 AromaticContact CE2-CE3 3.43Å; Y76-W85 HydrophobicContact CE2-CE3 3.43Å; Y76-W85 VanDerWaalsContact CE2-CE3 3.43Å; Y76-W85 AromaticContact CE2-CZ3 3.97Å; Y76-W85 HydrophobicContact CE2-CZ3 3.97Å; W85-V93 WeakPolarHBondContact O-CA 3.42Å; W85-V93 WeakPolarHBondContact O-CG1 3.34Å; W85-Y94 HydrophobicContact CZ2-CD2 4.17Å; W85-Y94 HydrophobicContact CZ2-CG 4.09Å; W85-Y94 PolarHBondContact N-O 3.43Å; W85-Y94 VanDerWaalsContact N-O 3.1Å; W85-Y94 PolarHBondContact O-N 3.33Å; W85-L96 HydrophobicContact CH2-CD1 3.81Å; W85-L96 HydrophobicContact CH2-CD2 4.41Å; W85-L96 HydrophobicContact CH2-CG 3.84Å; W85-L96 HydrophobicContact CZ3-CD1 3.71Å; W85-L96 HydrophobicContact CZ3-CG 3.7Å
86R97.7Very high96.8Very high141 Ų14142.6 Ų42.653%0.53222%0.22SC..EExtended strand (participates in β ladder)trans-95.2131.1166-171.4176.5-60.1-82.1-0.1110.3P88 S91 R92 V93R86-P88 WeakPolarHBondContact O-CD 3.49Å; R86-S91 PolarHBondContact NH1-O 3.41Å; R86-R92 WeakPolarHBondContact CA-O 3.49Å; R86-V93 HydrophobicContact CB-CG2 4.47Å; R86-V93 HydrophobicContact CG-CG2 4.41Å
87D97.3Very high96.8Very high5 Ų542.1 Ų42.13%0.02722%0.219CC..  trans-66.2121.4174.1-174-75.6000111.1S68 I89 T90 S91 R92 Y94S68-D87 VanDerWaalsContact CA-OD2 3.26Å; S68-D87 WeakPolarHBondContact CA-OD2 3.47Å; S68-D87 WeakPolarHBondContact CB-OD2 3.41Å; S68-D87 PolarHBondContact OG-OD2 3.2Å; D87-I89 PolarHBondContact O-N 3.16Å; D87-I89 VanDerWaalsContact O-N 3.07Å; D87-I89 WeakPolarHBondContact OD1-CA 3.43Å; D87-I89 PolarHBondContact OD1-N 3.18Å; D87-T90 VanDerWaalsContact CB-OG1 3.27Å; D87-T90 WeakPolarHBondContact CB-OG1 3.44Å; D87-T90 PolarHBondContact OD1-N 3.46Å; D87-T90 PolarHBondContact OD1-OG1 3.26Å; D87-T90 VanDerWaalsContact OD1-OG1 3.04Å; D87-S91 VanDerWaalsContact O-CA 3.31Å; D87-S91 WeakPolarHBondContact O-CA 3.31Å; D87-S91 PolarHBondContact O-N 2.95Å; D87-R92 HydrophobicContact CB-CB 4.49Å; D87-R92 PolarHBondContact N-O 3.29Å; D87-Y94 HydrophobicContact CB-CD2 4.23Å; D87-Y94 HydrophobicContact CB-CE2 4.07Å
88P96.2Very high96.8Very high45 Ų4538.8 Ų38.829%0.29220%0.203SC..THydrogen-bonded Turntrans-74.211.1-176.9-18.733.1000116.3V69 K71 L74 R86V69-P88 WeakPolarHBondContact O-CD 3.4Å; V69-P88 WeakPolarHBondContact O-CG 3.16Å; K71-P88 HydrophobicContact CB-CB 4.43Å; K71-P88 HydrophobicContact CB-CG 4.31Å; K71-P88 HydrophobicContact CD-CB 3.63Å; K71-P88 HydrophobicContact CD-CG 4.33Å; K71-P88 HydrophobicContact CG-CB 4.06Å; K71-P88 HydrophobicContact CG-CG 4.22Å; K71-P88 PolarHBondContact NZ-O 2.96Å; L74-P88 HydrophobicContact CD1-CG 3.74Å; L74-P88 HydrophobicContact CG-CG 4.46Å; R86-P88 WeakPolarHBondContact O-CD 3.49Å
89I95.8Very high96.8Very high109 Ų10938.2 Ų38.256%0.55920%0.203SC*.THydrogen-bonded Turntrans-128.7-55.3179-58.9178.9000109.9V69 D87V69-I89 HydrophobicContact CB-CD1 3.85Å; V69-I89 HydrophobicContact CG1-CD1 4.4Å; V69-I89 HydrophobicContact CG2-CD1 3.69Å; D87-I89 PolarHBondContact O-N 3.16Å; D87-I89 VanDerWaalsContact O-N 3.07Å; D87-I89 WeakPolarHBondContact OD1-CA 3.43Å; D87-I89 PolarHBondContact OD1-N 3.18Å
90T95.4Very high96.8Very high72 Ų7243 Ų4344%0.44223%0.226SC..THydrogen-bonded Turntrans-86.4-8.7-177.365.10000113.5D87 R92D87-T90 VanDerWaalsContact CB-OG1 3.27Å; D87-T90 WeakPolarHBondContact CB-OG1 3.44Å; D87-T90 PolarHBondContact OD1-N 3.46Å; D87-T90 PolarHBondContact OD1-OG1 3.26Å; D87-T90 VanDerWaalsContact OD1-OG1 3.04Å; T90-R92 PolarHBondContact O-N 3.41Å
91S94.6Very high96.9Very high74 Ų7445.5 Ų45.552%0.51723%0.225SC..  trans58.12.5-174.9-61.30000116.1R86 D87R86-S91 PolarHBondContact NH1-O 3.41Å; D87-S91 VanDerWaalsContact O-CA 3.31Å; D87-S91 WeakPolarHBondContact O-CA 3.31Å; D87-S91 PolarHBondContact O-N 2.95Å
92R95.9Very high96.9Very high122 Ų12248 Ų4846%0.4624%0.237SC..  trans-59.5149.5172.4-66.4173.9178.8-140.48.3110.1Q21 R86 D87 T90 Y94Q21-R92 HydrophobicContact CG-CB 4.47Å; R86-R92 WeakPolarHBondContact CA-O 3.49Å; D87-R92 HydrophobicContact CB-CB 4.49Å; D87-R92 PolarHBondContact N-O 3.29Å; T90-R92 PolarHBondContact O-N 3.41Å; R92-Y94 HydrophobicContact CB-CE2 4.08Å; R92-Y94 WeakPolarHBondContact CD-OH 3.27Å
93V97.8Very high96.8Very high12 Ų1249.3 Ų49.37%0.07324%0.244CC..EExtended strand (participates in β ladder)trans-104.8119.3170.1-174.10000107.8Q21 F22 W29 W85 R86Q21-V93 WeakPolarHBondContact CA-O 3.37Å; F22-V93 HydrophobicContact CB-CB 4Å; F22-V93 HydrophobicContact CB-CG1 4.47Å; F22-V93 PolarHBondContact N-O 2.99Å; W29-V93 HydrophobicContact CH2-CG1 3.74Å; W29-V93 HydrophobicContact CZ3-CG1 4.32Å; W85-V93 WeakPolarHBondContact O-CA 3.42Å; W85-V93 WeakPolarHBondContact O-CG1 3.34Å; R86-V93 HydrophobicContact CB-CG2 4.47Å; R86-V93 HydrophobicContact CG-CG2 4.41Å
94Y98.4Very high96.8Very high15 Ų1549.2 Ų49.26%0.05924%0.244CC..EExtended strand (participates in β ladder)trans-100.3150177.3-72.7-68.2000110.3L20 Q21 V66 E84 W85 D87 R92L20-Y94 WeakPolarHBondContact O-CA 3.15Å; Q21-Y94 HydrophobicContact CB-CD1 4.42Å; Q21-Y94 HydrophobicContact CB-CE1 4.47Å; Q21-Y94 HydrophobicContact CG-CD1 4.32Å; Q21-Y94 HydrophobicContact CG-CE1 4.21Å; V66-Y94 HydrophobicContact CB-CD1 4.43Å; V66-Y94 HydrophobicContact CB-CE1 4.35Å; V66-Y94 HydrophobicContact CG2-CD1 3.96Å; V66-Y94 HydrophobicContact CG2-CD2 4.06Å; V66-Y94 HydrophobicContact CG2-CE1 4.01Å; V66-Y94 HydrophobicContact CG2-CE2 4.11Å; V66-Y94 HydrophobicContact CG2-CG 3.99Å; E84-Y94 VanDerWaalsContact CA-O 3.26Å; E84-Y94 WeakPolarHBondContact CA-O 3.44Å; E84-Y94 WeakPolarHBondContact CB-O 3.37Å; W85-Y94 HydrophobicContact CZ2-CD2 4.17Å; W85-Y94 HydrophobicContact CZ2-CG 4.09Å; W85-Y94 PolarHBondContact N-O 3.43Å; W85-Y94 VanDerWaalsContact N-O 3.1Å; W85-Y94 PolarHBondContact O-N 3.33Å; D87-Y94 HydrophobicContact CB-CD2 4.23Å; D87-Y94 HydrophobicContact CB-CE2 4.07Å; R92-Y94 HydrophobicContact CB-CE2 4.08Å; R92-Y94 WeakPolarHBondContact CD-OH 3.27Å
95G98Very high96.7Very high0 Ų050.3 Ų50.30%025%0.253CS..EExtended strand (participates in β ladder)trans-132.6140.6175.900000110.1L20 H83L20-G95 PolarHBondContact N-O 2.87Å; L20-G95 PolarHBondContact O-N 3.21Å; H83-G95 CarbonylContact O-C 3.49Å; H83-G95 VanDerWaalsContact O-CA 3.26Å; H83-G95 WeakPolarHBondContact O-CA 3.17Å
96L98.4Very high96.5Very high0 Ų051.6 Ų51.60%026%0.26CS..EExtended strand (participates in β ladder)trans-119.7117.1171.6-65.4175.5000107.7A17 V19 V41 F82 H83 W85 F98 F107A17-L96 HydrophobicContact CB-CB 4.15Å; A17-L96 HydrophobicContact CB-CD2 4.07Å; V19-L96 HydrophobicContact CB-CD2 4.33Å; V19-L96 HydrophobicContact CG1-CD2 4.28Å; V19-L96 HydrophobicContact CG2-CD2 3.75Å; V41-L96 HydrophobicContact CG1-CD1 4.02Å; V41-L96 HydrophobicContact CG1-CD2 4.26Å; V41-L96 HydrophobicContact CG2-CD2 3.94Å; F82-L96 WeakPolarHBondContact CA-O 3.48Å; H83-L96 HydrophobicContact CB-CB 4.5Å; H83-L96 PolarHBondContact N-O 3.08Å; H83-L96 PolarHBondContact O-N 3.05Å; W85-L96 HydrophobicContact CH2-CD1 3.81Å; W85-L96 HydrophobicContact CH2-CD2 4.41Å; W85-L96 HydrophobicContact CH2-CG 3.84Å; W85-L96 HydrophobicContact CZ3-CD1 3.71Å; W85-L96 HydrophobicContact CZ3-CG 3.7Å; L96-F98 HydrophobicContact CB-CD2 4.33Å; L96-F98 HydrophobicContact CB-CE2 3.62Å; L96-F98 HydrophobicContact CB-CZ 3.97Å; L96-F98 HydrophobicContact CD1-CE2 4.31Å; L96-F98 HydrophobicContact CD1-CZ 3.91Å; L96-F107 HydrophobicContact CD1-CE1 3.96Å; L96-F107 HydrophobicContact CD1-CZ 4.17Å
97H97.6Very high96.5Very high19 Ų1944.9 Ų44.99%0.08823%0.234CC..EExtended strand (participates in β ladder)trans-98.9108.7167.6178.8-78.1000109.2A17 Y18 L20 F82 M392A17-H97 WeakPolarHBondContact CA-O 3.02Å; Y18-H97 AromaticContact CD2-ND1 3.83Å; Y18-H97 PolarHBondContact N-O 3.47Å; Y18-H97 PolarHBondContact O-N 3.14Å; L20-H97 HydrophobicContact CD1-CB 4.36Å; F82-H97 HydrophobicContact CD2-CB 4.1Å; H97-M392 VanDerWaalsContact CD2-CE 3.44Å; H97-M392 WeakPolarHBondContact CD2-CE 3.11Å; H97-M392 WeakPolarHBondContact NE2-CE 3.33Å; H97-M392 PolarHBondContact NE2-SD 3.38Å; H97-M392 VanDerWaalsContact NE2-SD 3.39Å
98F98Very high96.6Very high0 Ų046.6 Ų46.60%024%0.243CC..  trans-79.6136.9176.6-63.6-91.5000110.2A15 A17 Q81 H83 L96 E100 D103 A104 F107A15-F98 HydrophobicContact CB-CD1 4.25Å; A15-F98 HydrophobicContact CB-CE1 3.72Å; A17-F98 HydrophobicContact CB-CD1 3.99Å; A17-F98 HydrophobicContact CB-CE1 4.05Å; A17-F98 HydrophobicContact CB-CG 4.35Å; A17-F98 HydrophobicContact CB-CZ 4.44Å; Q81-F98 WeakPolarHBondContact O-CD2 3.06Å; Q81-F98 PolarHBondContact O-N 3.19Å; H83-F98 HydrophobicContact CB-CE2 4.12Å; H83-F98 AromaticContact CE1-CE2 3.69Å; H83-F98 AromaticContact CG-CE2 3.62Å; H83-F98 AromaticContact ND1-CE2 3.41Å; H83-F98 WeakPolarHBondContact ND1-CE2 3.49Å; L96-F98 HydrophobicContact CB-CD2 4.33Å; L96-F98 HydrophobicContact CB-CE2 3.62Å; L96-F98 HydrophobicContact CB-CZ 3.97Å; L96-F98 HydrophobicContact CD1-CE2 4.31Å; L96-F98 HydrophobicContact CD1-CZ 3.91Å; F98-E100 VanDerWaalsContact C-N 3.3Å; F98-D103 HydrophobicContact CD1-CB 4.2Å; F98-A104 HydrophobicContact CB-CB 3.84Å; F98-A104 HydrophobicContact CD1-CB 4.44Å; F98-A104 HydrophobicContact CD2-CB 3.76Å; F98-A104 HydrophobicContact CE2-CB 4.48Å; F98-A104 HydrophobicContact CG-CB 3.75Å; F98-F107 HydrophobicContact CE1-CB 3.95Å; F98-F107 HydrophobicContact CE1-CD2 4.31Å; F98-F107 HydrophobicContact CE1-CG 4.06Å; F98-F107 HydrophobicContact CZ-CB 3.85Å; F98-F107 AromaticContact CZ-CD1 3.89Å; F98-F107 HydrophobicContact CZ-CD1 3.89Å; F98-F107 HydrophobicContact CZ-CD2 4.34Å; F98-F107 AromaticContact CZ-CG 3.77Å; F98-F107 HydrophobicContact CZ-CG 3.77Å
99P96.1Very high96.6Very high48 Ų4849.6 Ų49.631%0.31225%0.252SS..SBendtrans-68.1-33.5170.9-16.330.3000112.2Q16 Y18 L38 Q81Q16-P99 WeakPolarHBondContact O-CD 3.3Å; Y18-P99 HydrophobicContact CE2-CG 4.2Å; L38-P99 HydrophobicContact CD1-CG 3.63Å; Q81-P99 PolarHBondContact OE1-O 2.87Å
100E94.5Very high96.7Very high129 Ų12944.4 Ų44.460%0.60323%0.225SC*.SBendtrans-115.4133.2-172.6-64.4-61.1156.100111.8F98 E102 D103 A104F98-E100 VanDerWaalsContact C-N 3.3Å; E100-E102 VanDerWaalsContact C-N 3.32Å; E100-E102 PolarHBondContact O-N 3.47Å; E100-D103 HydrophobicContact CB-CB 4.21Å; E100-D103 PolarHBondContact O-N 3.2Å; E100-A104 PolarHBondContact O-N 3.41Å
101Q94.8Very high96.8Very high99 Ų9941 Ų4146%0.46320%0.204SC..Hα-helixtrans-72.1-25.9-174.1-17757.993.100112.5Q81 A105Q81-Q101 HydrophobicContact CG-CB 4.34Å; Q81-Q101 VanDerWaalsContact OE1-CA 3.28Å; Q101-A105 WeakPolarHBondContact O-CB 3.46Å; Q101-A105 PolarHBondContact O-N 3.17Å
102E96.3Very high96.9Very high104 Ų10441.6 Ų41.649%0.48620%0.202SC..Hα-helixtrans-78.2-36.9175.6-17059.1-140.800112.1E100 A104 A105 M106 K109E100-E102 VanDerWaalsContact C-N 3.32Å; E100-E102 PolarHBondContact O-N 3.47Å; E102-A104 VanDerWaalsContact C-N 3.28Å; E102-A104 PolarHBondContact O-N 3.1Å; E102-A105 PolarHBondContact O-N 3.47Å; E102-A105 VanDerWaalsContact O-N 3.16Å; E102-M106 HydrophobicContact CG-CE 3.87Å; E102-M106 HydrophobicContact CG-CG 4.33Å; E102-M106 WeakPolarHBondContact O-CB 3.41Å; E102-M106 WeakPolarHBondContact O-CG 3.43Å; E102-M106 PolarHBondContact O-N 2.83Å; E102-M106 WeakPolarHBondContact OE1-CG 3.36Å; E102-K109 IonicContact OE1-NZ 3.49Å; E102-K109 PolarHBondContact OE1-NZ 3.1Å
103D95.6Very high96.8Very high29 Ų2937.2 Ų37.216%0.15519%0.186CC..Hα-helixtrans-59-43.4171.3-110.137.2000110.2A15 Q16 F98 E100 M106 F107A15-D103 WeakPolarHBondContact CA-OD2 3.27Å; A15-D103 HydrophobicContact CB-CB 4.43Å; A15-D103 WeakPolarHBondContact CB-OD2 3.46Å; Q16-D103 PolarHBondContact N-OD2 2.98Å; F98-D103 HydrophobicContact CD1-CB 4.2Å; E100-D103 HydrophobicContact CB-CB 4.21Å; E100-D103 PolarHBondContact O-N 3.2Å; D103-M106 PolarHBondContact O-N 3.05Å; D103-F107 VanDerWaalsContact O-CB 3.3Å; D103-F107 WeakPolarHBondContact O-CB 3.46Å; D103-F107 PolarHBondContact O-N 2.91Å
104A97.2Very high96.8Very high0 Ų036.7 Ų36.70%018%0.183CC..Hα-helixtrans-58.6-51.7171.700000111.6H83 F98 E100 E102 M106 F107 L108H83-A104 PolarHBondContact CE1-O 3.48Å; F98-A104 HydrophobicContact CB-CB 3.84Å; F98-A104 HydrophobicContact CD1-CB 4.44Å; F98-A104 HydrophobicContact CD2-CB 3.76Å; F98-A104 HydrophobicContact CE2-CB 4.48Å; F98-A104 HydrophobicContact CG-CB 3.75Å; E100-A104 PolarHBondContact O-N 3.41Å; E102-A104 VanDerWaalsContact C-N 3.28Å; E102-A104 PolarHBondContact O-N 3.1Å; A104-M106 VanDerWaalsContact C-N 3.34Å; A104-M106 PolarHBondContact O-N 3.2Å; A104-F107 PolarHBondContact O-N 2.79Å; A104-L108 WeakPolarHBondContact O-CB 3.48Å; A104-L108 PolarHBondContact O-N 3.37Å
105A96.8Very high96.7Very high28 Ų2836.9 Ų36.923%0.23119%0.185CC..Hα-helixtrans-60.6-40.7-179.700000112.5Q101 E102 K109Q101-A105 WeakPolarHBondContact O-CB 3.46Å; Q101-A105 PolarHBondContact O-N 3.17Å; E102-A105 PolarHBondContact O-N 3.47Å; E102-A105 VanDerWaalsContact O-N 3.16Å; A105-K109 VanDerWaalsContact O-CG 3.24Å; A105-K109 WeakPolarHBondContact O-CG 3.37Å; A105-K109 PolarHBondContact O-N 2.79Å
106M95.2Very high96.5Very high32 Ų3239.8 Ų39.816%0.15820%0.201CC..Hα-helixtrans-68.4-43.1176.1-72.3-162.2-83.500112.7E102 D103 A104 L108 K109 A110 I132 V134E102-M106 HydrophobicContact CG-CE 3.87Å; E102-M106 HydrophobicContact CG-CG 4.33Å; E102-M106 WeakPolarHBondContact O-CB 3.41Å; E102-M106 WeakPolarHBondContact O-CG 3.43Å; E102-M106 PolarHBondContact O-N 2.83Å; E102-M106 WeakPolarHBondContact OE1-CG 3.36Å; D103-M106 PolarHBondContact O-N 3.05Å; A104-M106 VanDerWaalsContact C-N 3.34Å; A104-M106 PolarHBondContact O-N 3.2Å; M106-L108 VanDerWaalsContact C-N 3.3Å; M106-L108 PolarHBondContact O-N 3.3Å; M106-K109 WeakPolarHBondContact O-CB 3.43Å; M106-K109 PolarHBondContact O-N 3.42Å; M106-A110 PolarHBondContact O-N 2.92Å; M106-A110 VanDerWaalsContact O-N 3.12Å; M106-I132 HydrophobicContact CB-CG2 4.05Å; M106-I132 HydrophobicContact CG-CG2 4.1Å; M106-I132 HydrophobicContact SD-CG2 3.78Å; M106-V134 HydrophobicContact CB-CG1 3.64Å; M106-V134 HydrophobicContact CE-CB 4.36Å; M106-V134 HydrophobicContact CE-CG1 3.45Å; M106-V134 VanDerWaalsContact CE-CG1 3.45Å; M106-V134 HydrophobicContact CG-CG1 4.28Å; M106-V134 HydrophobicContact SD-CG1 3.74Å
107F97.8Very high96.3Very high0 Ų043.7 Ų43.70%022%0.215CC..Hα-helixtrans-63.3-38.1176-160.6-86.2000111.5A15 V41 I43 I54 Y76 L96 F98 D103 A104 A110 I111A15-F107 HydrophobicContact CB-CD2 3.76Å; A15-F107 HydrophobicContact CB-CE2 4.49Å; V41-F107 HydrophobicContact CG1-CE2 4.02Å; V41-F107 HydrophobicContact CG1-CZ 3.91Å; I43-F107 HydrophobicContact CD1-CE1 4.23Å; I43-F107 HydrophobicContact CD1-CE2 4.27Å; I43-F107 HydrophobicContact CD1-CZ 4.08Å; I43-F107 HydrophobicContact CG1-CE1 4.21Å; I43-F107 HydrophobicContact CG1-CE2 3.87Å; I43-F107 HydrophobicContact CG1-CZ 3.62Å; I54-F107 HydrophobicContact CD1-CE1 4.39Å; I54-F107 HydrophobicContact CG1-CZ 4.43Å; I54-F107 HydrophobicContact CG2-CZ 4.36Å; Y76-F107 WeakPolarHBondContact OH-CD1 3.42Å; Y76-F107 WeakPolarHBondContact OH-CE1 3.4Å; L96-F107 HydrophobicContact CD1-CE1 3.96Å; L96-F107 HydrophobicContact CD1-CZ 4.17Å; F98-F107 HydrophobicContact CE1-CB 3.95Å; F98-F107 HydrophobicContact CE1-CD2 4.31Å; F98-F107 HydrophobicContact CE1-CG 4.06Å; F98-F107 HydrophobicContact CZ-CB 3.85Å; F98-F107 AromaticContact CZ-CD1 3.89Å; F98-F107 HydrophobicContact CZ-CD1 3.89Å; F98-F107 HydrophobicContact CZ-CD2 4.34Å; F98-F107 AromaticContact CZ-CG 3.77Å; F98-F107 HydrophobicContact CZ-CG 3.77Å; D103-F107 VanDerWaalsContact O-CB 3.3Å; D103-F107 WeakPolarHBondContact O-CB 3.46Å; D103-F107 PolarHBondContact O-N 2.91Å; A104-F107 PolarHBondContact O-N 2.79Å; F107-A110 PolarHBondContact O-N 2.88Å; F107-I111 HydrophobicContact CD1-CD1 4.44Å; F107-I111 HydrophobicContact CD1-CG1 3.75Å; F107-I111 HydrophobicContact CE1-CD1 3.83Å; F107-I111 HydrophobicContact CE1-CG1 3.65Å; F107-I111 WeakPolarHBondContact O-CG1 3.43Å; F107-I111 PolarHBondContact O-N 2.77Å
108L97.4Very high96.2Very high41 Ų4144.2 Ų44.222%0.21522%0.218CC..Hα-helixtrans-64.5-43.4174.2179.855.7000112.7Y76 I78 A104 M106 A110 I111 N112Y76-L108 HydrophobicContact CD1-CD1 4.1Å; Y76-L108 HydrophobicContact CE1-CD1 4.11Å; I78-L108 HydrophobicContact CD1-CD1 3.67Å; I78-L108 HydrophobicContact CD1-CD2 4.08Å; I78-L108 HydrophobicContact CD1-CG 4.39Å; I78-L108 HydrophobicContact CG1-CD1 3.97Å; I78-L108 HydrophobicContact CG1-CD2 3.94Å; I78-L108 HydrophobicContact CG2-CD2 4.49Å; A104-L108 WeakPolarHBondContact O-CB 3.48Å; A104-L108 PolarHBondContact O-N 3.37Å; M106-L108 VanDerWaalsContact C-N 3.3Å; M106-L108 PolarHBondContact O-N 3.3Å; L108-A110 VanDerWaalsContact C-N 3.28Å; L108-A110 PolarHBondContact O-N 2.83Å; L108-I111 PolarHBondContact O-N 3.28Å; L108-N112 WeakPolarHBondContact CD1-ND2 3.4Å; L108-N112 WeakPolarHBondContact O-CB 3.42Å; L108-N112 PolarHBondContact O-N 3.05Å; L108-N112 PolarHBondContact O-ND2 3.29Å
109K96.9Very high95.9Very high109 Ų10947.7 Ų47.747%0.47424%0.24SC..Hα-helixtrans-54.2-46.8173.5-69.2162.1-159.9162.10110.3E102 A105 M106 F113 I132E102-K109 IonicContact OE1-NZ 3.49Å; E102-K109 PolarHBondContact OE1-NZ 3.1Å; A105-K109 VanDerWaalsContact O-CG 3.24Å; A105-K109 WeakPolarHBondContact O-CG 3.37Å; A105-K109 PolarHBondContact O-N 2.79Å; M106-K109 WeakPolarHBondContact O-CB 3.43Å; M106-K109 PolarHBondContact O-N 3.42Å; K109-F113 PolarHBondContact O-N 2.89Å; K109-F113 VanDerWaalsContact O-N 3.14Å; K109-I132 HydrophobicContact CB-CD1 4.33Å
110A97.4Very high95.6Very high0 Ų049.1 Ų49.10%025%0.245CC..Hα-helixtrans-68.5-41.8179.900000113.7A13 I43 M106 F107 L108 F113 V114 I132A13-A110 HydrophobicContact CB-CB 3.62Å; I43-A110 HydrophobicContact CD1-CB 3.68Å; M106-A110 PolarHBondContact O-N 2.92Å; M106-A110 VanDerWaalsContact O-N 3.12Å; F107-A110 PolarHBondContact O-N 2.88Å; L108-A110 VanDerWaalsContact C-N 3.28Å; L108-A110 PolarHBondContact O-N 2.83Å; A110-F113 PolarHBondContact O-N 3.3Å; A110-V114 WeakPolarHBondContact O-CG2 3.46Å; A110-V114 PolarHBondContact O-N 2.96Å; A110-V114 VanDerWaalsContact O-N 3.08Å; A110-I132 HydrophobicContact CB-CD1 4.49Å
111I97.6Very high95Very high0 Ų046.9 Ų46.90%024%0.242CC..Hα-helixtrans-61-47.3174.4-70.9-69.4000111I43 I54 L70 Y76 F107 L108 F113 V114 L115I43-I111 HydrophobicContact CD1-CD1 3.55Å; I43-I111 HydrophobicContact CD1-CG1 3.77Å; I43-I111 HydrophobicContact CG1-CD1 3.98Å; I54-I111 HydrophobicContact CD1-CD1 3.79Å; I54-I111 HydrophobicContact CG1-CD1 4.11Å; L70-I111 HydrophobicContact CD1-CD1 3.92Å; L70-I111 HydrophobicContact CD2-CD1 4.39Å; Y76-I111 HydrophobicContact CD1-CB 4.46Å; Y76-I111 HydrophobicContact CD1-CG2 3.73Å; Y76-I111 HydrophobicContact CD2-CG2 3.91Å; Y76-I111 HydrophobicContact CE1-CB 4.29Å; Y76-I111 HydrophobicContact CE1-CG1 4.18Å; Y76-I111 HydrophobicContact CE1-CG2 4Å; Y76-I111 HydrophobicContact CE2-CD1 4.25Å; Y76-I111 HydrophobicContact CE2-CG1 4.13Å; Y76-I111 HydrophobicContact CE2-CG2 4.19Å; Y76-I111 HydrophobicContact CG-CG2 3.7Å; F107-I111 HydrophobicContact CD1-CD1 4.44Å; F107-I111 HydrophobicContact CD1-CG1 3.75Å; F107-I111 HydrophobicContact CE1-CD1 3.83Å; F107-I111 HydrophobicContact CE1-CG1 3.65Å; F107-I111 WeakPolarHBondContact O-CG1 3.43Å; F107-I111 PolarHBondContact O-N 2.77Å; L108-I111 PolarHBondContact O-N 3.28Å; I111-F113 VanDerWaalsContact C-N 3.31Å; I111-F113 PolarHBondContact O-N 2.94Å; I111-V114 PolarHBondContact O-N 2.88Å; I111-L115 HydrophobicContact CG2-CD1 3.65Å; I111-L115 HydrophobicContact CG2-CG 4.08Å; I111-L115 WeakPolarHBondContact O-CG 3.47Å; I111-L115 PolarHBondContact O-N 3.17Å
112N96.4Very high94Very high87 Ų8749.6 Ų49.647%0.46526%0.259SS..Hα-helixtrans-61.8-39-179.6-74.6-25.2000112.2L108 N116L108-N112 WeakPolarHBondContact CD1-ND2 3.4Å; L108-N112 WeakPolarHBondContact O-CB 3.42Å; L108-N112 PolarHBondContact O-N 3.05Å; L108-N112 PolarHBondContact O-ND2 3.29Å; N112-N116 VanDerWaalsContact O-CB 3.28Å; N112-N116 WeakPolarHBondContact O-CB 3.41Å; N112-N116 PolarHBondContact O-N 2.97Å
113F94.8Very high92.3Very high30 Ų3046.7 Ų46.713%0.13225%0.251CS..Hα-helixtrans-60.2-50.4172.1169.4-115.8000112.1K109 A110 I111 L115 N116 R117 F127K109-F113 PolarHBondContact O-N 2.89Å; K109-F113 VanDerWaalsContact O-N 3.14Å; A110-F113 PolarHBondContact O-N 3.3Å; I111-F113 VanDerWaalsContact C-N 3.31Å; I111-F113 PolarHBondContact O-N 2.94Å; F113-L115 PolarHBondContact O-N 3.35Å; F113-N116 PolarHBondContact O-N 2.91Å; F113-R117 WeakPolarHBondContact O-CB 3.46Å; F113-R117 PolarHBondContact O-N 2.86Å; F113-F127 HydrophobicContact CB-CD2 4.37Å; F113-F127 HydrophobicContact CB-CE2 3.59Å; F113-F127 HydrophobicContact CB-CZ 3.88Å; F113-F127 HydrophobicContact CD1-CD1 4.32Å; F113-F127 AromaticContact CD1-CD2 3.89Å; F113-F127 HydrophobicContact CD1-CD2 3.89Å; F113-F127 HydrophobicContact CD1-CE1 4.22Å; F113-F127 AromaticContact CD1-CE2 3.81Å; F113-F127 HydrophobicContact CD1-CE2 3.81Å; F113-F127 HydrophobicContact CD1-CG 4.14Å; F113-F127 AromaticContact CD1-CZ 3.96Å; F113-F127 HydrophobicContact CD1-CZ 3.96Å; F113-F127 AromaticContact CD2-CD2 3.32Å; F113-F127 HydrophobicContact CD2-CD2 3.32Å; F113-F127 AromaticContact CD2-CE2 3.41Å; F113-F127 HydrophobicContact CD2-CE2 3.41Å; F113-F127 VanDerWaalsContact CD2-CE2 3.41Å; F113-F127 HydrophobicContact CD2-CG 4.22Å; F113-F127 HydrophobicContact CD2-CZ 4.35Å; F113-F127 HydrophobicContact CE1-CB 4.24Å; F113-F127 HydrophobicContact CE1-CD1 4.23Å; F113-F127 AromaticContact CE1-CD2 3.94Å; F113-F127 HydrophobicContact CE1-CD2 3.94Å; F113-F127 HydrophobicContact CE1-CE2 4.33Å; F113-F127 AromaticContact CE1-CG 3.88Å; F113-F127 HydrophobicContact CE1-CG 3.88Å; F113-F127 HydrophobicContact CE2-CB 4.15Å; F113-F127 AromaticContact CE2-CD2 3.38Å; F113-F127 HydrophobicContact CE2-CD2 3.38Å; F113-F127 AromaticContact CE2-CE2 3.99Å; F113-F127 HydrophobicContact CE2-CE2 3.99Å; F113-F127 AromaticContact CE2-CG 3.96Å; F113-F127 HydrophobicContact CE2-CG 3.96Å; F113-F127 AromaticContact CG-CD2 3.58Å; F113-F127 HydrophobicContact CG-CD2 3.58Å; F113-F127 HydrophobicContact CG-CE1 4.49Å; F113-F127 AromaticContact CG-CE2 3.3Å; F113-F127 HydrophobicContact CG-CE2 3.3Å; F113-F127 HydrophobicContact CG-CG 4.3Å; F113-F127 AromaticContact CG-CZ 3.8Å; F113-F127 HydrophobicContact CG-CZ 3.8Å; F113-F127 HydrophobicContact CZ-CB 3.8Å; F113-F127 AromaticContact CZ-CD2 3.69Å; F113-F127 HydrophobicContact CZ-CD2 3.69Å; F113-F127 HydrophobicContact CZ-CE2 4.41Å; F113-F127 AromaticContact CZ-CG 3.78Å; F113-F127 HydrophobicContact CZ-CG 3.78Å
114V96.8Very high90.3Very high0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-62.8-43.5-179.1169.10000111.8V12 I43 Y52 L70 A110 I111 R117 L118V12-V114 HydrophobicContact CG1-CG2 4.28Å; I43-V114 HydrophobicContact CG2-CG2 4.26Å; Y52-V114 HydrophobicContact CD1-CB 4.42Å; Y52-V114 HydrophobicContact CD1-CG1 3.69Å; Y52-V114 HydrophobicContact CD1-CG2 3.79Å; Y52-V114 HydrophobicContact CD2-CG1 3.73Å; Y52-V114 HydrophobicContact CE1-CG1 4.18Å; Y52-V114 HydrophobicContact CE1-CG2 3.78Å; Y52-V114 HydrophobicContact CE2-CG1 4.23Å; Y52-V114 HydrophobicContact CG-CG1 3.45Å; Y52-V114 VanDerWaalsContact CG-CG1 3.45Å; Y52-V114 HydrophobicContact CG-CG2 4.42Å; L70-V114 HydrophobicContact CB-CG1 4.48Å; L70-V114 HydrophobicContact CD1-CG1 3.74Å; A110-V114 WeakPolarHBondContact O-CG2 3.46Å; A110-V114 PolarHBondContact O-N 2.96Å; A110-V114 VanDerWaalsContact O-N 3.08Å; I111-V114 PolarHBondContact O-N 2.88Å; V114-R117 PolarHBondContact O-N 3.18Å; V114-L118 HydrophobicContact CG1-CD1 3.82Å; V114-L118 HydrophobicContact CG1-CG 4.41Å; V114-L118 WeakPolarHBondContact O-CB 3.26Å; V114-L118 VanDerWaalsContact O-CG 3.29Å; V114-L118 WeakPolarHBondContact O-CG 3.26Å; V114-L118 PolarHBondContact O-N 3.19Å
115L96.5Very high88.2Confident19 Ų1959.7 Ų59.710%0.09931%0.31CS..Hα-helixtrans-67.9-37178.1-65.7-179.3000112.5L74 I111 F113 L118 T119L74-L115 HydrophobicContact CB-CD2 3.94Å; L74-L115 HydrophobicContact CD2-CD1 4.03Å; L74-L115 HydrophobicContact CD2-CD2 4.24Å; I111-L115 HydrophobicContact CG2-CD1 3.65Å; I111-L115 HydrophobicContact CG2-CG 4.08Å; I111-L115 WeakPolarHBondContact O-CG 3.47Å; I111-L115 PolarHBondContact O-N 3.17Å; F113-L115 PolarHBondContact O-N 3.35Å; L115-L118 HydrophobicContact CD2-CD1 4.43Å; L115-T119 WeakPolarHBondContact O-CB 3.43Å; L115-T119 PolarHBondContact O-N 3.43Å; L115-T119 PolarHBondContact O-OG1 2.77Å
116N94.6Very high85.6Confident62 Ų6262 Ų6233%0.33233%0.329SS..Hα-helixtrans-64.1-47.6172.318038000111.4N112 F113 L118 T119 N120N112-N116 VanDerWaalsContact O-CB 3.28Å; N112-N116 WeakPolarHBondContact O-CB 3.41Å; N112-N116 PolarHBondContact O-N 2.97Å; F113-N116 PolarHBondContact O-N 2.91Å; N116-L118 PolarHBondContact O-N 3.12Å; N116-T119 PolarHBondContact O-N 2.9Å; N116-T119 VanDerWaalsContact O-N 3.11Å; N116-N120 PolarHBondContact O-N 2.88Å; N116-N120 PolarHBondContact OD1-ND2 2.8Å
117R93.3Very high83.3Confident81 Ų8165.1 Ų65.131%0.30634%0.342SS..Hα-helixtrans-61.5-41.3177.8177.3171.2167.1169.6-4.4112.5D50 Y52 F113 V114 T119 N120 P121D50-R117 IonicContact OD1-CZ 2.7Å; D50-R117 IonicContact OD1-NE 3.97Å; D50-R117 PolarHBondContact OD1-NE 3.35Å; D50-R117 IonicContact OD1-NH2 3.68Å; D50-R117 PolarHBondContact OD1-NH2 2.98Å; Y52-R117 WeakPolarHBondContact OH-CD 3.48Å; Y52-R117 PolarHBondContact OH-NE 3.36Å; Y52-R117 PolarHBondContact OH-NH1 2.94Å; F113-R117 WeakPolarHBondContact O-CB 3.46Å; F113-R117 PolarHBondContact O-N 2.86Å; V114-R117 PolarHBondContact O-N 3.18Å; R117-T119 VanDerWaalsContact C-N 3.29Å; R117-T119 PolarHBondContact O-N 3.07Å; R117-N120 CarbonylContact O-C 3.55Å; R117-P121 WeakPolarHBondContact O-CA 3.29Å
118L95.3Very high80.5Confident30 Ų3071.6 Ų71.616%0.15738%0.377CS..Hα-helixtrans-63.7-33.3174.1-78169.2000112.8D50 Y52 L70 A72 V114 L115 N116D50-L118 WeakPolarHBondContact O-CD2 3.36Å; Y52-L118 HydrophobicContact CD2-CD1 4.17Å; Y52-L118 HydrophobicContact CD2-CD2 4.01Å; Y52-L118 HydrophobicContact CD2-CG 4.07Å; Y52-L118 HydrophobicContact CE2-CD2 4.36Å; Y52-L118 HydrophobicContact CE2-CG 4.37Å; L70-L118 HydrophobicContact CB-CD1 4.01Å; A72-L118 HydrophobicContact CB-CB 4.28Å; A72-L118 WeakPolarHBondContact CB-O 3.45Å; V114-L118 HydrophobicContact CG1-CD1 3.82Å; V114-L118 HydrophobicContact CG1-CG 4.41Å; V114-L118 WeakPolarHBondContact O-CB 3.26Å; V114-L118 VanDerWaalsContact O-CG 3.29Å; V114-L118 WeakPolarHBondContact O-CG 3.26Å; V114-L118 PolarHBondContact O-N 3.19Å; L115-L118 HydrophobicContact CD2-CD1 4.43Å; N116-L118 PolarHBondContact O-N 3.12Å
119T93.5Very high77.6Confident74 Ų7473.1 Ų73.145%0.45440%0.402SS..Hα-helixtrans-82.7-34.5-179.4-55.40000112.2L115 N116 R117 P121L115-T119 WeakPolarHBondContact O-CB 3.43Å; L115-T119 PolarHBondContact O-N 3.43Å; L115-T119 PolarHBondContact O-OG1 2.77Å; N116-T119 PolarHBondContact O-N 2.9Å; N116-T119 VanDerWaalsContact O-N 3.11Å; R117-T119 VanDerWaalsContact C-N 3.29Å; R117-T119 PolarHBondContact O-N 3.07Å; T119-P121 WeakPolarHBondContact O-CD 3.26Å
120N89.9Confident74.7Confident78 Ų7875.9 Ų75.942%0.41742%0.417SS..  trans-126.167.4-175.2-61.4-58.3000110.8N116 R117 D122 S123N116-N120 PolarHBondContact O-N 2.88Å; N116-N120 PolarHBondContact OD1-ND2 2.8Å; R117-N120 CarbonylContact O-C 3.55Å; N120-D122 VanDerWaalsContact C-N 3.26Å; N120-D122 PolarHBondContact O-N 2.89Å; N120-S123 WeakPolarHBondContact CB-OG 3.29Å; N120-S123 WeakPolarHBondContact O-CB 3.49Å; N120-S123 PolarHBondContact O-N 3.06Å; N120-S123 PolarHBondContact O-OG 3.25Å
121P81.8Confident71.9Confident82 Ų8282.7 Ų82.753%0.53245%0.453SS..THydrogen-bonded Turntrans-63.3-29-173.625.5-35.5000113.7R117 T119 S123R117-P121 WeakPolarHBondContact O-CA 3.29Å; T119-P121 WeakPolarHBondContact O-CD 3.26Å; P121-S123 PolarHBondContact O-N 2.84Å
122D72.8Confident69.4Low156 Ų15684.4 Ų84.483%0.83446%0.462SS*.THydrogen-bonded Turntrans-72.3-15.5174.6-58.2-64.9000113.1N120 K124N120-D122 VanDerWaalsContact C-N 3.26Å; N120-D122 PolarHBondContact O-N 2.89Å; D122-K124 PolarHBondContact O-N 3.09Å; D122-K124 VanDerWaalsContact O-N 3.09Å
123S60.9Low66.5Low43 Ų4385.1 Ų85.130%0.30147%0.466SS..  trans-77.598.8178.775.70000110.3N120 P121 N125N120-S123 WeakPolarHBondContact CB-OG 3.29Å; N120-S123 WeakPolarHBondContact O-CB 3.49Å; N120-S123 PolarHBondContact O-N 3.06Å; N120-S123 PolarHBondContact O-OG 3.25Å; P121-S123 PolarHBondContact O-N 2.84Å; S123-N125 WeakPolarHBondContact CB-ND2 3.46Å; S123-N125 PolarHBondContact O-N 2.84Å; S123-N125 PolarHBondContact OG-ND2 3.01Å
124K54.2Low64.1Low209 Ų20984.3 Ų84.391%0.90946%0.463SS*.  trans-71.456.2169.1-65.8-175.3-179.9179.30111.6D122 A126D122-K124 PolarHBondContact O-N 3.09Å; D122-K124 VanDerWaalsContact O-N 3.09Å; K124-A126 VanDerWaalsContact C-N 3.31Å; K124-A126 PolarHBondContact O-N 3.2Å
125N51.5Low61.2Low93 Ų9390 Ų9050%0.49749%0.494SS..  trans-66.796162-70.9-59.2000106.8S123 F127S123-N125 WeakPolarHBondContact CB-ND2 3.46Å; S123-N125 PolarHBondContact O-N 2.84Å; S123-N125 PolarHBondContact OG-ND2 3.01Å; N125-F127 PolarHBondContact O-N 3.43Å; N125-F127 VanDerWaalsContact O-N 3.17Å
126A42.1Very low58.1Low77 Ų7792.9 Ų92.964%0.63652%0.516SS*.  trans-60.8118.3173.200000108.2K124 D128K124-A126 VanDerWaalsContact C-N 3.31Å; K124-A126 PolarHBondContact O-N 3.2Å; A126-D128 VanDerWaalsContact C-N 3.32Å; A126-D128 PolarHBondContact O-N 2.75Å
127F48.3Very low55.1Low96 Ų9697 Ų9742%0.42153%0.533SS..  trans-74.899.2152.6-123-125.8000104.9F113 N125 I132F113-F127 HydrophobicContact CB-CD2 4.37Å; F113-F127 HydrophobicContact CB-CE2 3.59Å; F113-F127 HydrophobicContact CB-CZ 3.88Å; F113-F127 HydrophobicContact CD1-CD1 4.32Å; F113-F127 AromaticContact CD1-CD2 3.89Å; F113-F127 HydrophobicContact CD1-CD2 3.89Å; F113-F127 HydrophobicContact CD1-CE1 4.22Å; F113-F127 AromaticContact CD1-CE2 3.81Å; F113-F127 HydrophobicContact CD1-CE2 3.81Å; F113-F127 HydrophobicContact CD1-CG 4.14Å; F113-F127 AromaticContact CD1-CZ 3.96Å; F113-F127 HydrophobicContact CD1-CZ 3.96Å; F113-F127 AromaticContact CD2-CD2 3.32Å; F113-F127 HydrophobicContact CD2-CD2 3.32Å; F113-F127 AromaticContact CD2-CE2 3.41Å; F113-F127 HydrophobicContact CD2-CE2 3.41Å; F113-F127 VanDerWaalsContact CD2-CE2 3.41Å; F113-F127 HydrophobicContact CD2-CG 4.22Å; F113-F127 HydrophobicContact CD2-CZ 4.35Å; F113-F127 HydrophobicContact CE1-CB 4.24Å; F113-F127 HydrophobicContact CE1-CD1 4.23Å; F113-F127 AromaticContact CE1-CD2 3.94Å; F113-F127 HydrophobicContact CE1-CD2 3.94Å; F113-F127 HydrophobicContact CE1-CE2 4.33Å; F113-F127 AromaticContact CE1-CG 3.88Å; F113-F127 HydrophobicContact CE1-CG 3.88Å; F113-F127 HydrophobicContact CE2-CB 4.15Å; F113-F127 AromaticContact CE2-CD2 3.38Å; F113-F127 HydrophobicContact CE2-CD2 3.38Å; F113-F127 AromaticContact CE2-CE2 3.99Å; F113-F127 HydrophobicContact CE2-CE2 3.99Å; F113-F127 AromaticContact CE2-CG 3.96Å; F113-F127 HydrophobicContact CE2-CG 3.96Å; F113-F127 AromaticContact CG-CD2 3.58Å; F113-F127 HydrophobicContact CG-CD2 3.58Å; F113-F127 HydrophobicContact CG-CE1 4.49Å; F113-F127 AromaticContact CG-CE2 3.3Å; F113-F127 HydrophobicContact CG-CE2 3.3Å; F113-F127 HydrophobicContact CG-CG 4.3Å; F113-F127 AromaticContact CG-CZ 3.8Å; F113-F127 HydrophobicContact CG-CZ 3.8Å; F113-F127 HydrophobicContact CZ-CB 3.8Å; F113-F127 AromaticContact CZ-CD2 3.69Å; F113-F127 HydrophobicContact CZ-CD2 3.69Å; F113-F127 HydrophobicContact CZ-CE2 4.41Å; F113-F127 AromaticContact CZ-CG 3.78Å; F113-F127 HydrophobicContact CZ-CG 3.78Å; N125-F127 PolarHBondContact O-N 3.43Å; N125-F127 VanDerWaalsContact O-N 3.17Å; F127-I132 HydrophobicContact CE1-CD1 3.79Å; F127-I132 HydrophobicContact CE1-CG1 4.09Å; F127-I132 HydrophobicContact CZ-CD1 3.88Å
128D37.9Very low52.1Low136 Ų13699.2 Ų99.273%0.72756%0.561SS**  trans-57.6146.8168.9-75.1-43.4000109A126 E130A126-D128 VanDerWaalsContact C-N 3.32Å; A126-D128 PolarHBondContact O-N 2.75Å; D128-E130 PolarHBondContact O-N 2.8Å
129G38.2Very low49.2Very low73 Ų73107 Ų10775%0.75359%0.588SS**SBendtrans-67.118.6-155.900000118.4N131G129-N131 VanDerWaalsContact C-N 3.32Å; G129-N131 PolarHBondContact O-N 3.12Å
130E34Very low46.2Very low168 Ų168112.4 Ų112.479%0.78561%0.608SS**  trans-61.7100.4157-77.7-157.9122.200108.7D128 I132D128-E130 PolarHBondContact O-N 2.8Å; E130-I132 PolarHBondContact O-N 3.18Å
131N39Very low43.6Very low142 Ų142117 Ų11776%0.75962%0.621SS**  trans-50.5113.5146.8-67.8-100.1000105.2G129 N133G129-N131 VanDerWaalsContact C-N 3.32Å; G129-N131 PolarHBondContact O-N 3.12Å; N131-N133 VanDerWaalsContact C-N 3.33Å; N131-N133 PolarHBondContact O-N 3.42Å
132I46.6Very low41.3Very low37 Ų37117.8 Ų117.819%0.1963%0.634CS.*  trans-57.4106.6173.8-65.9178.6000105.2M106 K109 A110 F127 E130 V134M106-I132 HydrophobicContact CB-CG2 4.05Å; M106-I132 HydrophobicContact CG-CG2 4.1Å; M106-I132 HydrophobicContact SD-CG2 3.78Å; K109-I132 HydrophobicContact CB-CD1 4.33Å; A110-I132 HydrophobicContact CB-CD1 4.49Å; F127-I132 HydrophobicContact CE1-CD1 3.79Å; F127-I132 HydrophobicContact CE1-CG1 4.09Å; F127-I132 HydrophobicContact CZ-CD1 3.88Å; E130-I132 PolarHBondContact O-N 3.18Å; I132-V134 HydrophobicContact CG2-CG2 4.38Å; I132-V134 WeakPolarHBondContact O-CG2 3.45Å; I132-V134 PolarHBondContact O-N 3.38Å
133N35.7Very low39.7Very low102 Ų102116.3 Ų116.355%0.54562%0.622SS.*  trans-85.468.9-165.7-167.7-9.3000109N131 N135 S136N131-N133 VanDerWaalsContact C-N 3.33Å; N131-N133 PolarHBondContact O-N 3.42Å; N133-N135 PolarHBondContact O-N 3.16Å; N133-S136 VanDerWaalsContact OD1-CA 3.27Å; N133-S136 WeakPolarHBondContact OD1-CA 3.26Å; N133-S136 WeakPolarHBondContact OD1-CB 3.36Å; N133-S136 PolarHBondContact OD1-N 3.2Å; N133-S136 PolarHBondContact OD1-OG 3.39Å; N133-S136 VanDerWaalsContact OD1-OG 3.12Å
134V43.7Very low38.6Very low12 Ų12116.7 Ų116.77%0.07362%0.623CS.*SBendtrans-64.977.8169.4-109.70000108.6A13 S14 M106 I132 S136A13-V134 HydrophobicContact CB-CG2 4.36Å; S14-V134 WeakPolarHBondContact O-CB 3.43Å; S14-V134 WeakPolarHBondContact O-CG1 3.32Å; S14-V134 WeakPolarHBondContact O-CG2 3.2Å; M106-V134 HydrophobicContact CB-CG1 3.64Å; M106-V134 HydrophobicContact CE-CB 4.36Å; M106-V134 HydrophobicContact CE-CG1 3.45Å; M106-V134 VanDerWaalsContact CE-CG1 3.45Å; M106-V134 HydrophobicContact CG-CG1 4.28Å; M106-V134 HydrophobicContact SD-CG1 3.74Å; I132-V134 HydrophobicContact CG2-CG2 4.38Å; I132-V134 WeakPolarHBondContact O-CG2 3.45Å; I132-V134 PolarHBondContact O-N 3.38Å; V134-S136 VanDerWaalsContact C-N 3.32Å; V134-S136 PolarHBondContact O-N 3.37Å
135N34.5Very low37.8Very low120 Ų120115.2 Ų115.264%0.64262%0.618SS**SBendtrans44.647.1177.8-131.5-14.7000115.1N133 Q137N133-N135 PolarHBondContact O-N 3.16Å; N135-Q137 PolarHBondContact O-N 2.99Å
136S32.5Very low37Very low80 Ų80117 Ų11756%0.55963%0.626SS**  trans-74.742.8166.1-410000111.3N133 V134N133-S136 VanDerWaalsContact OD1-CA 3.27Å; N133-S136 WeakPolarHBondContact OD1-CA 3.26Å; N133-S136 WeakPolarHBondContact OD1-CB 3.36Å; N133-S136 PolarHBondContact OD1-N 3.2Å; N133-S136 PolarHBondContact OD1-OG 3.39Å; N133-S136 VanDerWaalsContact OD1-OG 3.12Å; V134-S136 VanDerWaalsContact C-N 3.32Å; V134-S136 PolarHBondContact O-N 3.37Å
137Q32.1Very low36.4Very low147 Ų147116.5 Ų116.569%0.68762%0.617SS**  trans-55.7139.1147.7-75.1-166.5-0.500107.1N135 R139N135-Q137 PolarHBondContact O-N 2.99Å; Q137-R139 PolarHBondContact O-N 3.41Å
138S30Very low35.5Very low128 Ų128118.8 Ų118.890%0.89563%0.634SS**  trans-71.659.6-176.7-52.90000112.7E140S138-E140 VanDerWaalsContact C-N 3.34Å; S138-E140 PolarHBondContact O-N 2.83Å
139R34.3Very low35.3Very low195 Ų195117.9 Ų117.974%0.73663%0.633SS**  trans-72.591.5168.8-102.2-160.7168.1-152-1.3108Q137 Y141Q137-R139 PolarHBondContact O-N 3.41Å; R139-Y141 VanDerWaalsContact C-N 3.26Å; R139-Y141 HydrophobicContact CB-CD2 3.84Å; R139-Y141 HydrophobicContact CB-CE2 3.9Å; R139-Y141 HydrophobicContact CG-CD2 4.31Å; R139-Y141 HydrophobicContact CG-CE2 3.87Å; R139-Y141 PolarHBondContact O-N 2.97Å
140E30.9Very low35.1Very low186 Ų186118.9 Ų118.987%0.86962%0.621SS**  trans-62.779-179.6-169.7-175.9173.700111.9S138S138-E140 VanDerWaalsContact C-N 3.34Å; S138-E140 PolarHBondContact O-N 2.83Å
141Y34.6Very low35Very low176 Ų176117.8 Ų117.869%0.6962%0.62SS**  trans-128.1126.7172.5-61.2-74.2000108.7R139 Q143R139-Y141 VanDerWaalsContact C-N 3.26Å; R139-Y141 HydrophobicContact CB-CD2 3.84Å; R139-Y141 HydrophobicContact CB-CE2 3.9Å; R139-Y141 HydrophobicContact CG-CD2 4.31Å; R139-Y141 HydrophobicContact CG-CE2 3.87Å; R139-Y141 PolarHBondContact O-N 2.97Å; Y141-Q143 PolarHBondContact O-N 2.88Å
142A33.5Very low34.9Very low98 Ų98115.3 Ų115.381%0.8162%0.615SS**  trans-57.4130.2-167.100000112.1
143Q39.5Very low34.4Very low125 Ų125118 Ų11858%0.58464%0.636SS**  trans-57.6132.3156.8-70.4-169.1-11.900107.8Y141 F145Y141-Q143 PolarHBondContact O-N 2.88Å; Q143-F145 VanDerWaalsContact C-N 3.31Å; Q143-F145 PolarHBondContact O-N 2.89Å
144P38.5Very low34.5Very low50 Ų50119.5 Ų119.533%0.32564%0.644SS.*  trans-65.498.4166.827.5-31.6000107.3W57 N62 I146W57-P144 HydrophobicContact CD2-CG 4.39Å; W57-P144 HydrophobicContact CZ2-CG 4.26Å; N62-P144 HydrophobicContact CB-CB 4.5Å; P144-I146 PolarHBondContact O-N 2.81Å
145F35.6Very low34.2Very low179 Ų179125.7 Ų125.779%0.78568%0.677SS**  trans-53.5111.9167.1-88.2-90.7000107.5Q143 S147Q143-F145 VanDerWaalsContact C-N 3.31Å; Q143-F145 PolarHBondContact O-N 2.89Å; F145-S147 PolarHBondContact O-N 3.08Å
146I36.2Very low34.4Very low131 Ų131128.2 Ų128.267%0.67269%0.685SS**  trans-76.855.3169.9-44.1-177.5000108.2P144P144-I146 PolarHBondContact O-N 2.81Å
147S29.3Very low34.3Very low65 Ų65129 Ų12946%0.45570%0.696SS.*  trans-78.6126.1173-71.20000108.1F145 T149F145-S147 PolarHBondContact O-N 3.08Å; S147-T149 PolarHBondContact O-N 3.01Å
148N28.5Very low34.7Very low145 Ų145127.6 Ų127.678%0.77570%0.698SS**  trans-75.154173.3-71.7-33.1000111.4L150N148-L150 PolarHBondContact O-N 2.9Å
149T33.3Very low34.7Very low116 Ų116127.5 Ų127.571%0.71269%0.692SS**  trans-80.294.6174.145.50000109.8S147 D151S147-T149 PolarHBondContact O-N 3.01Å; T149-D151 PolarHBondContact O-N 2.78Å
150L34.7Very low35Very low95 Ų95124.3 Ų124.350%0.49770%0.696SS.*  trans-60.6117.1146.1-9275000107.3N148 I571N148-L150 PolarHBondContact O-N 2.9Å; L150-I571 HydrophobicContact CD1-CD1 4.32Å; L150-I571 HydrophobicContact CD1-CG1 4.41Å; L150-I571 HydrophobicContact CD2-CD1 4.26Å; L150-I571 HydrophobicContact CD2-CG2 3.77Å
151D32.4Very low35.4Very low144 Ų144124.7 Ų124.777%0.7770%0.695SS**  trans-116.6150.2152.7-161.5-3.7000108.8T149T149-D151 PolarHBondContact O-N 2.78Å
152S36.7Very low35.2Very low91 Ų91120 Ų12064%0.63670%0.7SS**  trans-153.572.1-177.5-66.60000109.4
153S36.2Very low35.1Very low92 Ų92120.9 Ų120.964%0.64370%0.699SS**  trans51117.9154.360.20000117.7
154N38.5Very low34.8Very low134 Ų134120.8 Ų120.872%0.71771%0.707SS**  -173.9131.7102.7-94.2-48.4000114
155N36.3Very low34.8Very low143 Ų143124.8 Ų124.877%0.76572%0.724SS**  trans52.586.9140.4-52.4-28.9000120
156H38.1Very low34.6Very low173 Ų173121.6 Ų121.680%0.80172%0.719SS**  -147.1139.9116.7-151.6-84.5000111.5
157A31.5Very low34.8Very low96 Ų96122.6 Ų122.679%0.79372%0.724SS**  trans-91.9111.5175.700000110.2
158T39.3Very low34.9Very low118 Ų118126.1 Ų126.172%0.72474%0.738SS**  trans-146.1121167.7-44.60000108.6P160T158-P160 WeakPolarHBondContact O-CD 3.5Å
159T31.6Very low35.3Very low126 Ų126124.6 Ų124.677%0.77374%0.736SS**PPolyproline II helixtrans-83.7121.6179.439.90000111.6K161T159-K161 PolarHBondContact O-N 3.08Å
160P40.4Very low35.5Very low127 Ų127127.1 Ų127.183%0.82574%0.743SS**PPolyproline II helixtrans-73.7120.2160.9-5.924000107.9T158T158-P160 WeakPolarHBondContact O-CD 3.5Å
161K38.5Very low35.4Very low195 Ų195129.7 Ų129.785%0.84876%0.758SS**PPolyproline II helixtrans-68.6146.2168.4-67.3180178.4179.30108.9T159 C163T159-K161 PolarHBondContact O-N 3.08Å; K161-C163 PolarHBondContact O-N 3.12Å
162G30Very low35.6Very low76 Ų76129.6 Ų129.678%0.78476%0.762SS**PPolyproline II helixtrans-56.7130.5176.300000111.4T164G162-T164 PolarHBondContact O-N 3.28Å
163C32.1Very low35.7Very low117 Ų117128.5 Ų128.579%0.79177%0.765SS**  trans-87.3103.3177.7-168.60000109.6K161 I165K161-C163 PolarHBondContact O-N 3.12Å; C163-I165 PolarHBondContact O-N 2.97Å
164T33.8Very low35.6Very low123 Ų123129.1 Ų129.176%0.75577%0.769SS**  trans-79.7100.9168-54.60000108.7G162 V166G162-T164 PolarHBondContact O-N 3.28Å; T164-V166 HydrophobicContact CG2-CG2 3.95Å; T164-V166 PolarHBondContact O-N 2.77Å
165I37Very low35.6Very low134 Ų134130.3 Ų130.369%0.68778%0.775SS**  trans-77.8107.6169.6-61.8-178.8000108C163 I167C163-I165 PolarHBondContact O-N 2.97Å; I165-I167 HydrophobicContact CG2-CD1 4.28Å; I165-I167 HydrophobicContact CG2-CG1 4.05Å
166V31.7Very low35.6Very low112 Ų112126.5 Ų126.568%0.67977%0.77SS**  trans-92.9121.6171.4-178.50000108.5T164T164-V166 HydrophobicContact CG2-CG2 3.95Å; T164-V166 PolarHBondContact O-N 2.77Å
167I40.7Very low35.8Very low152 Ų152125.5 Ų125.578%0.77977%0.769SS**  trans-123.5111.2165-57.7179.8000107I165I165-I167 HydrophobicContact CG2-CD1 4.28Å; I165-I167 HydrophobicContact CG2-CG1 4.05Å
168N32.6Very low36.1Very low139 Ų139128.2 Ų128.274%0.74377%0.771SS**  trans-92.1156.1173.6-115.231000110.4
169P37Very low36Very low113 Ų113126.5 Ų126.573%0.73477%0.768SS**  trans-83.7160.1-163.333.5-37.1000114.2
170I36.4Very low36.2Very low169 Ų169129 Ų12987%0.86778%0.775SS**  trans-114.8133.6163.5-64.1177.2000107.8
171N32.5Very low35.9Very low149 Ų149126.3 Ų126.380%0.79777%0.771SS**  trans-133.8104.1-171.7171.768.3000111.3
172V37.4Very low35.7Very low143 Ų143125.9 Ų125.987%0.86777%0.772SS**  trans-155138.5166.6-170.70000105.9
173G37.4Very low36.1Very low67 Ų67130.1 Ų130.169%0.69177%0.774SS**  cis-162.7174.4-4.900000109
174S34.2Very low36Very low105 Ų105132.3 Ų132.373%0.73477%0.773SS**  trans-88-173.4-173.659.20000114.2
175D38.8Very low36.2Very low159 Ų159133.2 Ų133.285%0.8577%0.773SS**  trans88.3130.8167.2-44.1-5.5000114.7
176G36Very low36.2Very low64 Ų64135.7 Ų135.766%0.6678%0.779SS**  cis174.3162.2-7.900000113.1
177I43.2Very low36.1Very low152 Ų152136 Ų13678%0.77978%0.781SS**  trans50.6107.6161.658167000121.5
178D36.9Very low35.8Very low153 Ų153134.8 Ų134.882%0.81878%0.781SS**  69.5142.8117.4-57.6-27.1000125.4
179A38.7Very low35.6Very low82 Ų82135.4 Ų135.468%0.67878%0.784SS**  trans90107.4136.300000122
180I35.1Very low35.5Very low178 Ų178135.9 Ų135.991%0.91379%0.787SS**  67.6131.2127.5-58.2166.8000118.3
181G35Very low35.5Very low71 Ų71137 Ų13773%0.73279%0.785SS**  trans144.497.4148.700000115.1
182Q33.1Very low35.3Very low186 Ų186137.7 Ų137.787%0.86978%0.784SS**  trans-66.2147.5160.4-57.416919.600109.5
183I38.1Very low35.2Very low164 Ų164136.4 Ų136.484%0.84178%0.779SS**  -178.3142.5120.7-93.3154.5000109.5
184E31.3Very low35.2Very low164 Ų164141.1 Ų141.177%0.76678%0.782SS**  trans-75.1142.3175.7-52.2171.7135.300111
185N37.3Very low35.4Very low141 Ų141141.2 Ų141.275%0.75478%0.781SS**  167.8123.7116.7-95.5-79.4000114.6
186K36.7Very low35.4Very low187 Ų187140.6 Ų140.681%0.81378%0.777SS**  trans53.2120.6132.1-129.9-171.1-175.5177.90121.6
187T29.4Very low35.4Very low117 Ų117145.1 Ų145.172%0.71878%0.781SS**  trans83.4117147.7-19.50000119.2
188T34.6Very low35Very low127 Ų127144.9 Ų144.978%0.77978%0.781SS**  165.9143112.4-65.80000111.6
189L27.8Very low35Very low153 Ų153141 Ų14180%0.80177%0.77SS**  trans-90.1150.4175.6-10785.4000112.4
190P36.6Very low34.7Very low122 Ų122143.4 Ų143.479%0.79277%0.771SS**  -138.5142.1101.434.4-20.9000112.7
191K35.7Very low34.7Very low192 Ų192144.7 Ų144.784%0.83577%0.766SS**  87.2110.852-158.5-177.2-171.3-172.60113.3
192Q27.1Very low34.6Very low164 Ų164149.4 Ų149.477%0.76677%0.769SS**PPolyproline II helixtrans-70.5159.9178.2-84.8179.8-100.700114.6
193P36.9Very low34.3Very low117 Ų117149.5 Ų149.576%0.7676%0.763SS**PPolyproline II helixtrans-100.4155.1144.431.4-18.4000113
194E36.9Very low34.2Very low165 Ų165149.1 Ų149.177%0.77176%0.757SS**PPolyproline II helixtrans-93.6160.5172.3-80-75.3127.400111.5
195P38.9Very low34.3Very low107 Ų107147.2 Ų147.270%0.69575%0.752SS**PPolyproline II helixtrans-92.5156.2179.437.2-34000113.4
196N38Very low34.3Very low147 Ų147149 Ų14979%0.78676%0.755SS**  trans-164.4147.3159.9-124.7-2.4000112.6
197E36.1Very low34.2Very low159 Ų159145.5 Ų145.574%0.74375%0.75SS**  trans60.9147.8157.2-62.4-173164.100119.6
198L33.9Very low34.4Very low147 Ų147146.7 Ų146.777%0.7775%0.752SS**  cis-164.2163.6-24.4-118.3172000109.2
199A37.6Very low34.5Very low70 Ų70150.4 Ų150.458%0.57976%0.76SS**  trans73.8127.8149.800000122.9
200N33.6Very low34.6Very low134 Ų134147 Ų14772%0.71775%0.75SS**  trans89.2160.6140.4-60.6-10.3000122
201Y33.7Very low34.5Very low205 Ų205147.8 Ų147.880%0.80475%0.747SS**  trans71.978.3-177.5-48.4-65.6000114.2
202E33.4Very low34.7Very low170 Ų170148 Ų14879%0.79475%0.751SS**  95.2132.757.7-171.6171-175.300112.3
203Y27.4Very low35.2Very low187 Ų187148 Ų14873%0.73375%0.754SS**  trans-95.3145.6-170.2-134.4-101.1000110.6
204H34.9Very low35Very low157 Ų157150.1 Ų150.173%0.72776%0.76SS**  trans-140.5101.7164.5-106.153.7000110.5
205D33.3Very low35Very low123 Ų123151.8 Ų151.866%0.65876%0.764SS**  trans-75.1132.8166.1-75.4-61.9000110.1
206H37Very low34.8Very low178 Ų178155.3 Ų155.382%0.82478%0.776SS**  trans-122.7106.6163.7-97-70.4000111
207V36.2Very low34.7Very low114 Ų114155.8 Ų155.869%0.69178%0.777SS**  trans-89.9142.3-178.6169.80000110.9
208N32.7Very low34.4Very low142 Ų142154.2 Ų154.276%0.75978%0.779SS**  trans57.5111.1167.7-72.6-30.3000118
209Q36.1Very low34.2Very low205 Ų205151.4 Ų151.496%0.95878%0.777SS**  -132.2147.2124.4-144.8167.269.300109.8
210S31.2Very low33.9Very low83 Ų83154.1 Ų154.158%0.5879%0.786SS**  trans-135.1170.1-154.357.10000113.3
211N34.6Very low34Very low138 Ų138153.6 Ų153.674%0.73879%0.788SS**  trans6592.7164.8-56.5-44.6000117.3
212Q38.6Very low33.9Very low195 Ų195151.3 Ų151.391%0.91179%0.787SS**  -161.5170.5125.4-109.4153.3108.400112.6
213I38.4Very low33.9Very low165 Ų165149.3 Ų149.385%0.84679%0.786SS**  trans62.567.9178.3-40.8-178.9000114.3
214N32.1Very low34.2Very low162 Ų162147.7 Ų147.787%0.86679%0.79SS**  trans-135.763.8159.1-135.6-11.5000109.8
215K37.4Very low34.5Very low200 Ų200147.6 Ų147.687%0.8780%0.795SS**  trans-148.471.9-178.9-84.6-165.1174.8-178.80113
216L34.4Very low34.7Very low181 Ų181148.9 Ų148.995%0.94880%0.802SS**  trans-157.294.5139.9-141.672.6000110.5
217I35.1Very low34.7Very low156 Ų156145.6 Ų145.680%0.880%0.799SS**  trans-108.4129.7170.4-60.4174000107.1
218T31.1Very low34.7Very low127 Ų127145.1 Ų145.178%0.77980%0.801SS**  trans142.6131.8144.9-62.40000112.6
219A29.7Very low35Very low88 Ų88144.3 Ų144.373%0.72781%0.806SS**  trans60.6133.7168.500000116.8
220T31.8Very low35.1Very low126 Ų126138 Ų13877%0.77380%0.796SS**  -152.1149.154.4-70.30000112
221T34Very low35.6Very low124 Ų124141.3 Ų141.376%0.76181%0.807SS**  trans-130.7124-179.3-66.70000110
222M31.8Very low36.1Very low157 Ų157142.9 Ų142.977%0.77381%0.808SS**  trans63151-170.2-46.7-56165.500112.4
223T34.6Very low36.1Very low128 Ų128139.9 Ų139.979%0.78580%0.798SS**  cis-143.4167.226.945.70000111.8
224N33.4Very low36.3Very low153 Ų153137.5 Ų137.582%0.81880%0.796SS**  trans-144.887.1154.9-163.613.7000109.8
225N40Very low36.6Very low155 Ų155133.7 Ų133.783%0.82980%0.795SS**  trans-146.8141.4172.9-96.7-29.6000107.8
226N37.6Very low36.8Very low150 Ų150127.7 Ų127.780%0.80278%0.783SS**  trans-81.8161.5-167.8-73-44000114.4
227S37.1Very low37Very low109 Ų109128.2 Ų128.276%0.76278%0.778SS**  trans94.6117.3153.6-47.50000119.9
228S36.1Very low37.3Very low104 Ų104127.7 Ų127.773%0.72777%0.772SS**  trans62.5103.8142580000122.7
229S39.5Very low37.7Very low125 Ų125125.9 Ų125.987%0.87476%0.761SS**  62132.1127.8640000123.3
230G39.4Very low38.3Very low73 Ų73130.5 Ų130.575%0.75377%0.767SS**  trans144.365139.700000122.1
231N41.6Very low38.4Very low152 Ų152134.6 Ų134.681%0.81377%0.768SS**  trans47.9117149.3-68.7-23.4000123.8
232K43.3Very low38.6Very low171 Ų171139.1 Ų139.174%0.74377%0.771SS**  81.2124.5127.3-72.3-168.7164.1-155.40124.6
233D40.3Very low38.7Very low132 Ų132139.5 Ų139.571%0.70677%0.771SS**  trans60.6141.6133-47.6-25.4000121.7
234S41.7Very low38.8Very low114 Ų114139.9 Ų139.980%0.79777%0.768SS**  cis-172.6122.7-2055.70000114.1
235G39.2Very low39Very low82 Ų82138.6 Ų138.685%0.84577%0.771SS**  trans71.1173.1154.600000120.9
236A40.9Very low38.7Very low75 Ų75136 Ų13662%0.6277%0.765SS**  cis-172.1155.1-25.700000113.4
237F37.7Very low38.4Very low192 Ų192135 Ų13584%0.84276%0.764SS**  trans63.7165.6163.7-48.9-67.2000118.5
238E41.4Very low38.3Very low144 Ų144135 Ų13567%0.67376%0.764SS**  cis-152.6155.1-0.8-154.928-169.700114.7
239T39.5Very low38.3Very low90 Ų90134.6 Ų134.655%0.55276%0.761SS**  trans26.8139.9156.454.10000124.4
240H43Very low37.9Very low184 Ų184136.3 Ų136.385%0.85276%0.759SS**  -169.1179.498.1-108.9-83.2000113.8
241R33.9Very low37.7Very low213 Ų213137.3 Ų137.380%0.80476%0.755SS**  trans-156.3132.8-153179.1-164.3-166.7159.13.1113.6
242R37.6Very low37.2Very low219 Ų219136.8 Ų136.883%0.82675%0.751SS**  trans160.6115.7134.8-88.7167.3-166.4-81.73.2116.1
243Q35.7Very low36.8Very low164 Ų164132.5 Ų132.577%0.76676%0.756SS**  36.8129129.5-66.2-108.3-85.100124.3
244L34.8Very low36.3Very low136 Ų136136.5 Ų136.571%0.71276%0.762SS**  trans61.1118134-61.6174000122
245S38.6Very low36.3Very low126 Ų126136 Ų13688%0.88177%0.766SS**  -167.6172.6121.5-82.30000110.8
246S33.5Very low36.3Very low102 Ų102139.2 Ų139.271%0.71377%0.769SS**  trans-124.4169.1-156.8-55.20000115.7
247T31.4Very low36.2Very low127 Ų127139.1 Ų139.178%0.77978%0.775SS**  trans77.6143158.664.90000120.3
248S34Very low36.6Very low110 Ų110136.6 Ų136.677%0.76978%0.778SS**  trans65.9147.9164.825.20000117.6
249S36.6Very low36.6Very low95 Ų95133 Ų13366%0.66478%0.78SS**  cis-169.7150.5-4.739.60000112.8
250I32.1Very low36.8Very low162 Ų162135.7 Ų135.783%0.83180%0.796SS**  trans67.3140.3138.4-68.8165.3000120.4
251S34Very low36.4Very low94 Ų94134.7 Ų134.766%0.65780%0.795SS**  trans86.6124.5153.7-168.40000121.5
252L32.3Very low36.8Very low140 Ų140129 Ų12973%0.73379%0.794SS**  trans-3.5132.2147.9-70.658.9000118.3Y254L252-Y254 HydrophobicContact CD2-CE2 4.19Å
253G35.6Very low36.8Very low82 Ų82125 Ų12585%0.84579%0.794SS**  trans-133.2114.2149.300000110
254Y29.5Very low37.2Very low215 Ų215122.5 Ų122.584%0.84379%0.792SS**  trans-78135.7169.3-78.3-94.5000109.6L252L252-Y254 HydrophobicContact CD2-CE2 4.19Å
255A40.5Very low37.3Very low105 Ų105121.9 Ų121.987%0.86880%0.799SS**  trans-143.3123.7167.400000110
256T39.1Very low37.1Very low149 Ų149121.9 Ų121.991%0.91480%0.799SS**  trans-103.5142.5-17847.70000111.4
257G40.3Very low37.3Very low73 Ų73121.4 Ų121.475%0.75380%0.802SS**  trans-149.6149.7170.200000111.2
258P45.9Very low37.3Very low138 Ų138120.9 Ų120.990%0.89680%0.803SS**  trans-128.6166.7-142.239.2-23.5000117
259G40.4Very low37.6Very low70 Ų70121.7 Ų121.772%0.72281%0.809SS**  trans106.6141.7167.800000114
260T43.4Very low37.6Very low145 Ų145122.2 Ų122.289%0.8981%0.812SS**  cis-147.7160.10.9-69.70000110.6
261I36Very low37.7Very low163 Ų163120 Ų12084%0.83681%0.811SS**  trans-81.4133.3-166.4-60.7151.1000113.2
262A41.1Very low38Very low94 Ų94122.3 Ų122.378%0.77782%0.822SS**  trans-164.1123.7144.100000112
263T38.1Very low38.2Very low134 Ų134118.4 Ų118.482%0.82282%0.815SS**  trans-146.2174.3168.458.90000108
264P43.8Very low38.3Very low113 Ų113126 Ų12673%0.73482%0.82SS**  cis-120.8178.3-18.538.4-24.9000112.1
265S38Very low38.7Very low123 Ų123118.5 Ų118.586%0.8681%0.808SS**  trans-172.6136137.1-86.80000112.4
266S33.3Very low38.7Very low126 Ų126125 Ų12588%0.88181%0.812SS**  trans-86.713016848.60000110.9
267A37.9Very low38.5Very low92 Ų92120.9 Ų120.976%0.7680%0.799SS**  trans-136.8111.4173.800000110.9
268S31.9Very low38.5Very low116 Ų116129 Ų12981%0.81181%0.808SS**  trans-79.4122.3168.749.40000110.3S270S268-S270 PolarHBondContact O-N 3.35Å
269S40.6Very low37.9Very low127 Ų127125.4 Ų125.489%0.88880%0.796SS**  trans-96.589.3176.5-62.60000111.2
270S35.7Very low37.9Very low106 Ų106133.6 Ų133.674%0.74181%0.807SS**  trans-83.2155.2176.354.30000113.2S268S268-S270 PolarHBondContact O-N 3.35Å
271S33.8Very low37.8Very low115 Ų115131.6 Ų131.680%0.80481%0.805SS**  trans-51.2145.6-176.655.50000118
272T40.1Very low37.9Very low143 Ų143127.7 Ų127.788%0.87781%0.805SS**  trans-138.2135.5151.3-51.80000107.9
273G37.3Very low37.8Very low57 Ų57129.5 Ų129.559%0.58881%0.812SS**  cis161.360.8-400000115
274Y38.8Very low37.9Very low242 Ų242126.8 Ų126.895%0.94981%0.811SS**  trans-150.2142.8169.7-65.5-78.7000109.2
275G37.2Very low37.7Very low57 Ų57127.3 Ų127.359%0.58882%0.817SS**  cis174.1144.6-9.300000110.8
276Y39.2Very low37.5Very low243 Ų243129.9 Ų129.995%0.95382%0.82SS**  trans63.4136.4-178.6-52.4-88.4000116.7
277G35.6Very low37.8Very low62 Ų62128.8 Ų128.864%0.63982%0.819SS**  cis129.689.2-14.100000114.9
278Y40Very low37.5Very low243 Ų243129.6 Ų129.695%0.95382%0.819SS**  trans-165.1148.3147.1-104.5-70.6000108.3
279G33.9Very low37.8Very low62 Ų62135.2 Ų135.264%0.63982%0.824SS**  trans-159.4163.9177.400000112.3
280Y40.3Very low37.6Very low242 Ų242133.6 Ų133.695%0.94982%0.818SS**  trans-146.1140.9165.7-114.1-86000108.9
281A40.5Very low37.5Very low104 Ų104133.9 Ų133.986%0.8682%0.82SS**  trans-99.7150-17900000111.3
282G38.9Very low37.6Very low81 Ų81135.7 Ų135.784%0.83583%0.827SS**  trans-162.7100174.800000110.8
283S39.5Very low37.5Very low131 Ų131134.2 Ų134.292%0.91682%0.822SS**  trans-90.9145.1175.945.50000111.3
284G39.2Very low37.6Very low78 Ų78136.7 Ų136.780%0.80483%0.831SS**  trans-171.8122.717600000111.5
285S39.5Very low37.6Very low123 Ų123131 Ų13186%0.8683%0.826SS**  trans-90.8152.8-172-68.20000114.3
286L34.9Very low37.8Very low178 Ų178132.1 Ų132.193%0.93284%0.837SS**  trans-12124.8153.2-59167.5000117.2
287A38.1Very low37.7Very low103 Ų103126.6 Ų126.685%0.85183%0.834SS**  trans-158.6126.8138.100000110.3
288S31.7Very low38Very low108 Ų108129 Ų12976%0.75584%0.842SS**  trans-98.6145.1169-53.20000109.2
289Y38.3Very low38.2Very low234 Ų234124 Ų12492%0.91884%0.836SS**  trans-159.1141144.3-91.3-56000114.7
290A37.1Very low38.5Very low93 Ų93124.5 Ų124.577%0.76984%0.841SS**  trans22.1133.4154.500000123
291S33.5Very low38.5Very low113 Ų113121 Ų12179%0.7984%0.839SS**  trans-65.3159.6163.8-31.50000114.3
292T37Very low38.4Very low152 Ų152119.3 Ų119.393%0.93383%0.832SS**  trans-158.7167.6139.81.50000111.4
293S36.3Very low38.7Very low112 Ų112121.5 Ų121.578%0.78383%0.831SS**  trans-137.5133.1-162.357.70000114.9
294S39.7Very low38.8Very low110 Ų110123.5 Ų123.577%0.76983%0.83SS**  trans-171.2133.4154.139.60000108.2
295S40Very low38.8Very low122 Ų122127.7 Ų127.785%0.85383%0.834SS**  cis77.995.341.381.20000113.9
296G39.6Very low38.9Very low80 Ų80125.3 Ų125.383%0.82583%0.829SS**  trans-176.9120173.600000112.1
297S39.1Very low39.1Very low127 Ų127124.3 Ų124.389%0.88883%0.825SS**  trans-114.6139.9-172-48.10000111.8
298S40.5Very low39.2Very low114 Ų114130.7 Ų130.780%0.79783%0.829SS**  trans-163.2113.5149.2-173.10000115
299V43.7Very low39.5Very low136 Ų136134.5 Ų134.582%0.82484%0.836SS**  trans4135.4138.6-1690000119.3
300G40.6Very low39.6Very low73 Ų73126.6 Ų126.675%0.75383%0.826SS**  trans-169.3126.2160.400000113.8
301N41Very low39.9Very low168 Ų168128.8 Ų128.890%0.89883%0.83SS**  trans-82.1168.5175.8-51.2-48.1000110.7
302G37.9Very low40Very low69 Ų69130 Ų13071%0.71183%0.826SS**  cis177.7171.21.800000110
303P45.9Very low40.3Very low128 Ų128132 Ų13283%0.83183%0.825SS**  trans-104.9158.5-162.138.6-35.3000116.7
304I41.8Very low40.2Very low173 Ų173137.4 Ų137.489%0.88783%0.828SS**  trans-138.9145166.3-64.4-175.3000110.5
305N38.5Very low40.3Very low165 Ų165140.1 Ų140.188%0.88283%0.833SS**  trans-83.5158.6-179.3-89.1-33.8000114.4
306G42.5Very low40.1Very low74 Ų74139 Ų13976%0.76383%0.826SS**  trans-170.710216600000114.3
307N38.3Very low40.1Very low157 Ų157139.6 Ų139.684%0.8482%0.817SS**  trans-80.7140.6171.5-76.3-13.1000111.2
308Y40.9Very low40.2Very low237 Ų237141.7 Ų141.793%0.92981%0.813SS**  trans-150.8142.5149.1-107.1-78.4000111.2
309M38.3Very low40Very low187 Ų187143.1 Ų143.192%0.92181%0.811SS**  trans-91.3151.6173.2-62.8179.172.300110.6
310G38.8Very low39.8Very low68 Ų68144.6 Ų144.670%0.70181%0.813SS**  trans-176.197.3173.900000117.5
311T43.3Very low39.7Very low139 Ų139151.8 Ų151.885%0.85382%0.818SS**  trans70.6128138.1-50.50000121.6
312I36.6Very low39.3Very low139 Ų139150.9 Ų150.971%0.71381%0.813SS**  trans-63.8143.7171.7-60.6-69.3000113R314I312-R314 HydrophobicContact CG2-CB 4.47Å
313H43.4Very low40Very low193 Ų193153.3 Ų153.389%0.89482%0.816SS**  trans-136.3152.9147.3-96.8-89.2000111.4
314R34.7Very low39.7Very low227 Ų227152.9 Ų152.986%0.85781%0.813SS**  trans-148.2119.6-158.9-176.5-157.9-155.8-158.610.7113.6I312I312-R314 HydrophobicContact CG2-CB 4.47Å
315L41.3Very low39.6Very low166 Ų166152.2 Ų152.287%0.86981%0.811SS**  trans-143.1128.8162.9-67.3172000106.3
316S36.2Very low39.5Very low100 Ų100150.7 Ų150.770%0.69981%0.808SS**  62.7122.358-167.30000111.5
317S39.4Very low39.1Very low91 Ų91150.7 Ų150.764%0.63681%0.808SS**  cis-156.8174.48.5-99.90000108.6
318Q41.1Very low38.8Very low172 Ų172152.4 Ų152.480%0.80481%0.811SS**  cis-146.4165.14.6-105.4135.946.400106.5
319N35.4Very low38.3Very low143 Ų143146.8 Ų146.877%0.76581%0.806SS**  cis101.196.829.3-160.50.5000114.5
320L40.7Very low37.9Very low167 Ų167145.4 Ų145.487%0.87480%0.801SS**  trans17882.2162.6-100.7159.7000108.2
321R37.2Very low37.4Very low224 Ų224147.7 Ų147.785%0.84581%0.806SS**  9690.181.8-168.9-178.8-161.2176.87.4113.4
322N33.3Very low37Very low149 Ų149145.4 Ų145.480%0.79780%0.796SS**  trans-75.9167.3166.4-61.2-0.2000111.7
323P51.5Low36.7Very low121 Ų121146 Ų14679%0.78680%0.8SS**  -122.3142.1128.335.5-29.8000111.9
324P40Very low36Very low118 Ų118148.6 Ų148.677%0.76680%0.802SS**  trans-94.3167.2173.438.2-34.5000112.1
325L39.3Very low35.8Very low160 Ų160142.8 Ų142.884%0.83880%0.796SS**  trans-162.8141.2137.4-104.9172.2000111.8
326T36.5Very low35.2Very low133 Ų133138.4 Ų138.482%0.81679%0.791SS**  trans-8.3141.2161.252.90000120.6
327G34.3Very low35Very low74 Ų74142.4 Ų142.476%0.76380%0.804SS**  trans173.462.6163.600000118.4
328E32.7Very low34.6Very low193 Ų193145.5 Ų145.590%0.90281%0.813SS**  trans55167.6154.9-57.5-168.2139.400120.7
329S30Very low34.1Very low118 Ų118142.1 Ų142.183%0.82581%0.809SS**  trans-133.2125.9-177.9-61.30000110.2
330I31.3Very low34Very low158 Ų158143.3 Ų143.381%0.8181%0.81SS**  trans-131.1109.2169-56.2179.9000108.9
331S26.6Very low33.8Very low117 Ų117140.9 Ų140.982%0.81880%0.801SS**  trans-99.1119.6164.256.50000109.2
332S35.4Very low33.6Very low91 Ų91135.5 Ų135.564%0.63680%0.798SS**  trans-116.685.5178.344.50000111.8
333N30.3Very low33.6Very low150 Ų150139 Ų13980%0.80280%0.8SS**  trans-61.5135.8159.8-77.4-25.3000109.3
334W27.9Very low32.8Very low249 Ų249141.9 Ų141.994%0.94380%0.803SS**  trans-108.181.3164.6-86.577.1000110.1
335S32.3Very low32.5Very low104 Ų104142 Ų14273%0.72780%0.802SS**  trans-101.9120160.653.70000107.8
336G27.9Very low32.5Very low74 Ų74141 Ų14176%0.76380%0.802SS**  trans-72.1171.2-164.600000116.1
337L31.9Very low32.3Very low185 Ų185141.3 Ų141.397%0.96980%0.799SS**  trans-120.1148165.4-74.3172000109.4
338N30.7Very low32.7Very low155 Ų155145.6 Ų145.683%0.82980%0.799SS**  trans-142.2125.4-173-175.515000109.5
339S31.7Very low32.9Very low101 Ų101141.9 Ų141.971%0.70679%0.794SS**  trans65.4163.2-178.7-132.70000114
340Q33.6Very low33.3Very low169 Ų169141.2 Ų141.279%0.7979%0.789SS**  cis-16417717.8-161.4171.2-24.700110.5
341V34.9Very low33.6Very low115 Ų115140 Ų14070%0.69779%0.789SS**  trans75.299.6164-172.90000115
342S33.9Very low34.1Very low111 Ų111138.4 Ų138.478%0.77678%0.783SS**  72.9153.485.9-56.30000115.6
343R32.5Very low34Very low222 Ų222140.6 Ų140.684%0.83879%0.792SS**  cis171.6118.8-24.9-178.6-169.8-156.6-153.57.5106.8
344E35.2Very low34.3Very low183 Ų183139.2 Ų139.286%0.85579%0.794SS**  trans165.3115.3160-97.8158.5-160.500107.3
345T33.9Very low34.5Very low121 Ų121133 Ų13374%0.74278%0.784SS**  66.5101.653.8650000116.8
346V38.1Very low34.6Very low139 Ų139134.8 Ų134.884%0.84279%0.785SS**  -151.4146.1129.6171.20000108.2
347D33.4Very low34.9Very low139 Ų139138.3 Ų138.374%0.74379%0.787SS**  trans-84.8170-178.4-88.3-71.7000115.2
348H42.4Very low35.2Very low163 Ų163133.9 Ų133.976%0.75577%0.771SS**  162.6118.3113.7-79.3-50.2000114.6
349S38Very low35.2Very low115 Ų115133.9 Ų133.980%0.80477%0.771SS**  trans58146.5140.466.80000121.1
350S38.2Very low35.4Very low104 Ų104135.3 Ų135.373%0.72778%0.781SS**  cis-167.7159.45.8440000113.8
351V37.3Very low35.4Very low133 Ų133132.2 Ų132.281%0.80678%0.778SS**  trans74.7132139.5162.30000122.6
352A35.7Very low35.5Very low83 Ų83132.4 Ų132.469%0.68679%0.785SS**  trans59.8118.7155.900000119.9
353V34.2Very low35.7Very low138 Ų138132.1 Ų132.184%0.83678%0.778SS**  76.8105.859175.20000114.5
354S36.2Very low35.9Very low120 Ų120130.1 Ų130.184%0.83978%0.783SS**  trans-173.2161.5130.7-77.70000110.2
355T33Very low35.7Very low119 Ų119127.2 Ų127.273%0.7378%0.778SS**  trans-107.2175.5-175.7470000113.3
356D34.9Very low35.8Very low141 Ų141128.2 Ų128.275%0.75478%0.784SS**  trans87.2128.4150.5-56.1-53000121.9
357N34Very low35.7Very low149 Ų149126.8 Ų126.880%0.79778%0.78SS**  trans97.6127.7132.2-113-17.1000123.1
358S37.5Very low36.1Very low91 Ų91126.2 Ų126.264%0.63678%0.781SS**  trans58.6113.1143.660.50000121.4
359N31.4Very low35.9Very low155 Ų155124.2 Ų124.283%0.82978%0.783SS**  27.7114.2127.6-59.1-10.5000119
360S34.8Very low35.7Very low131 Ų131124.3 Ų124.392%0.91678%0.778SS**  -160.9151.4125.2-89.70000113.7
361S33.8Very low35.5Very low105 Ų105127 Ų12773%0.73478%0.784SS**  trans-67.2144.4178.4178.20000112.9
362S38.1Very low35.4Very low119 Ų119126.8 Ų126.883%0.83278%0.779SS**  trans-119.4113.5156.361.50000109.3
363V36.1Very low35.4Very low105 Ų105130.8 Ų130.864%0.63679%0.789SS**  trans-87.2137.3-176.1175.30000110.8T365V363-T365 HydrophobicContact CG1-CG2 3.69Å
364L37.2Very low35.5Very low180 Ų180132.2 Ų132.294%0.94279%0.786SS**  trans-126.3122.7154.3-76.4177.2000109.6
365T32Very low35.5Very low121 Ų121133.3 Ų133.374%0.74278%0.783SS**  trans-101.1134.3-175.447.80000112.5V363V363-T365 HydrophobicContact CG1-CG2 3.69Å
366T34.5Very low35.7Very low142 Ų142133.1 Ų133.187%0.87178%0.777SS**  trans-134.9124.6151.142.20000109.6
367S37.1Very low36.2Very low109 Ų109134 Ų13476%0.76278%0.782SS**  trans-69171167.843.20000110.4
368V41.6Very low37Very low127 Ų127134 Ų13477%0.7778%0.777SS**  cis-157.8-17836.8-145.70000110
369P37.9Very low37.3Very low121 Ų121134.6 Ų134.679%0.78677%0.77SS**  -95.8172.5-88.737-23.2000115.4
370V33.7Very low37.7Very low117 Ų117132.9 Ų132.971%0.70976%0.76SS**  trans-65.7145.7170.3175.30000112.3N372V370-N372 VanDerWaalsContact CG1-OD1 3.28Å; V370-N372 WeakPolarHBondContact CG1-OD1 3.46Å
371N34.7Very low38.2Very low160 Ų160129.6 Ų129.686%0.85674%0.741SS**  trans-132134.3147.9-161.99.9000109.2
372N35.6Very low38.7Very low129 Ų129130.3 Ų130.369%0.6973%0.73SS**  trans-85.3131.6-169.6-71.7-25.8000112V370V370-N372 VanDerWaalsContact CG1-OD1 3.28Å; V370-N372 WeakPolarHBondContact CG1-OD1 3.46Å
373N35.9Very low38.9Very low167 Ų167129.8 Ų129.889%0.89372%0.715SS**  trans-155.1148.8136.1-104.3-33.1000110.1
374Q35.7Very low39.4Very low169 Ų169128.6 Ų128.679%0.7971%0.711SS**  trans-93.6165.2-172.4-65.7161.9-79.700111.6
375N36.1Very low39.8Very low143 Ų143124.9 Ų124.977%0.76569%0.689SS**  trans79.3139.5-179.8-37.9-56.6000114.8
376N38.3Very low40.7Very low114 Ų114122.6 Ų122.661%0.6168%0.678SS**  trans126.616.6162.5-62.3-5.9000118E378 E379N376-E378 PolarHBondContact O-N 3.13Å; N376-E378 VanDerWaalsContact O-N 3.16Å; N376-E379 PolarHBondContact O-N 3.06Å
377D45.3Very low42Very low159 Ų159119.5 Ų119.585%0.8566%0.662SS**THydrogen-bonded Turntrans-67.2-13.2179.2-60.1-65.2000115.5
378E50Low43.6Very low150 Ų150116.1 Ų116.170%0.70165%0.645SS**THydrogen-bonded Turntrans-95.53-178.6-142-156.7115.700114.5N376 K382N376-E378 PolarHBondContact O-N 3.13Å; N376-E378 VanDerWaalsContact O-N 3.16Å; E378-K382 WeakPolarHBondContact O-CD 3.41Å; E378-K382 WeakPolarHBondContact O-CE 3.49Å; E378-K382 PolarHBondContact O-NZ 3.48Å; E378-K382 IonicContact OE1-NZ 3.72Å; E378-K382 PolarHBondContact OE1-NZ 2.85Å
379E43.4Very low44.6Very low104 Ų104111.2 Ų111.249%0.48661%0.614SS.*THydrogen-bonded Turntrans-102.2-39.2-178.4-158.3-179.7132.500113.6N376 A381 K382 Q383N376-E379 PolarHBondContact O-N 3.06Å; E379-A381 VanDerWaalsContact C-N 3.29Å; E379-A381 PolarHBondContact O-N 2.93Å; E379-K382 PolarHBondContact O-N 2.89Å; E379-Q383 PolarHBondContact O-N 3.1Å; E379-Q383 PolarHBondContact OE1-NE2 2.81Å
380L40.5Very low46.2Very low119 Ų119108.3 Ų108.362%0.62360%0.6SS**Hα-helixtrans-59.6-35.3-176.9-87.887.7000113.4K382 Q383 S384L380-K382 VanDerWaalsContact C-N 3.29Å; L380-K382 PolarHBondContact O-N 3.49Å; L380-Q383 PolarHBondContact O-N 3.4Å; L380-S384 PolarHBondContact O-N 2.83Å; L380-S384 VanDerWaalsContact O-N 3.07Å; L380-S384 PolarHBondContact O-OG 3.5Å
381A44.6Very low48.1Very low61 Ų61105.8 Ų105.850%0.50459%0.592SS.*Hα-helixtrans-59.8-39.5176.100000112.3E379 S384 E385E379-A381 VanDerWaalsContact C-N 3.29Å; E379-A381 PolarHBondContact O-N 2.93Å; A381-S384 PolarHBondContact O-N 2.8Å; A381-E385 PolarHBondContact O-N 2.75Å
382K45.6Very low50Low120 Ų120100.7 Ų100.752%0.52256%0.564SS.*Hα-helixtrans-73.8-29.1-178.3-63.4164.4-174144.40111.8E378 E379 L380 S386E378-K382 WeakPolarHBondContact O-CD 3.41Å; E378-K382 WeakPolarHBondContact O-CE 3.49Å; E378-K382 PolarHBondContact O-NZ 3.48Å; E378-K382 IonicContact OE1-NZ 3.72Å; E378-K382 PolarHBondContact OE1-NZ 2.85Å; E379-K382 PolarHBondContact O-N 2.89Å; L380-K382 VanDerWaalsContact C-N 3.29Å; L380-K382 PolarHBondContact O-N 3.49Å; K382-S386 PolarHBondContact O-N 3.44Å; K382-S386 PolarHBondContact O-OG 3.03Å
383Q41.8Very low52.1Low108 Ų10895.7 Ų95.751%0.50554%0.537SS..Hα-helixtrans-73.5-40.1173.3-62.5-173900111.8E379 L380 S386 S387E379-Q383 PolarHBondContact O-N 3.1Å; E379-Q383 PolarHBondContact OE1-NE2 2.81Å; L380-Q383 PolarHBondContact O-N 3.4Å; Q383-S386 PolarHBondContact O-N 3.27Å; Q383-S386 PolarHBondContact O-OG 3.47Å; Q383-S387 PolarHBondContact O-N 3.47Å
384S46Very low54.1Low80 Ų8093.7 Ų93.756%0.55952%0.522SS*.Hα-helixtrans-59.1-50177.2-64.10000112.7L380 A381 S386 S387L380-S384 PolarHBondContact O-N 2.83Å; L380-S384 VanDerWaalsContact O-N 3.07Å; L380-S384 PolarHBondContact O-OG 3.5Å; A381-S384 PolarHBondContact O-N 2.8Å; S384-S386 PolarHBondContact O-N 2.68Å; S384-S387 PolarHBondContact O-N 3.29Å; S384-S387 PolarHBondContact O-OG 2.88Å
385E46.1Very low56Low103 Ų10391.3 Ų91.348%0.48151%0.511SS..Hα-helixtrans-66.7-32.7-179.3-70.3-168-138.300113.9R36 A381 S387 L389R36-E385 IonicContact CZ-OE2 2.64Å; R36-E385 IonicContact NH1-OE2 3.42Å; R36-E385 PolarHBondContact NH1-OE2 3.44Å; R36-E385 IonicContact NH2-OE2 3.38Å; R36-E385 PolarHBondContact NH2-OE2 2.96Å; A381-E385 PolarHBondContact O-N 2.75Å; E385-S387 VanDerWaalsContact C-N 3.34Å; E385-L389 PolarHBondContact O-N 2.95Å
386S50.9Low57.7Low73 Ų7384.6 Ų84.651%0.5148%0.475SS..Hα-helixtrans-70.6-31.9178.166.50000112.1K382 Q383 S384 A390K382-S386 PolarHBondContact O-N 3.44Å; K382-S386 PolarHBondContact O-OG 3.03Å; Q383-S386 PolarHBondContact O-N 3.27Å; Q383-S386 PolarHBondContact O-OG 3.47Å; S384-S386 PolarHBondContact O-N 2.68Å; S386-A390 VanDerWaalsContact O-CB 3.26Å; S386-A390 WeakPolarHBondContact O-CB 3.27Å; S386-A390 PolarHBondContact O-N 2.87Å
387S61.5Low59.7Low76 Ų7681.7 Ų81.753%0.53146%0.459SS..Hα-helixtrans-62.8-45.5177.376.40000113.1Q383 S384 E385 A390 A391Q383-S387 PolarHBondContact O-N 3.47Å; S384-S387 PolarHBondContact O-N 3.29Å; S384-S387 PolarHBondContact O-OG 2.88Å; E385-S387 VanDerWaalsContact C-N 3.34Å; S387-A390 PolarHBondContact O-N 2.67Å; S387-A391 PolarHBondContact O-N 3.1Å
388G70Confident61.2Low39 Ų3975.7 Ų75.740%0.40243%0.432SS..Hα-helixtrans-66.5-41.6179.400000112.7A391 M392G388-A391 PolarHBondContact O-N 2.95Å; G388-M392 WeakPolarHBondContact O-CB 3.39Å; G388-M392 PolarHBondContact O-N 3.45Å; G388-M392 VanDerWaalsContact O-N 3.08Å
389L62.6Low62.3Low23 Ų2369.2 Ų69.212%0.1240%0.404CS..Hα-helixtrans-66.4-41.1173.4-102.2171.7000112.1R36 E385 A391 M392 L393R36-L389 VanDerWaalsContact CD-CD1 3.49Å; R36-L389 VanDerWaalsContact NE-CD1 3.27Å; E385-L389 PolarHBondContact O-N 2.95Å; L389-A391 PolarHBondContact O-N 2.94Å; L389-M392 HydrophobicContact CD2-CE 4.27Å; L389-M392 PolarHBondContact O-N 2.94Å; L389-L393 HydrophobicContact CD2-CD1 4.21Å; L389-L393 HydrophobicContact CD2-CG 4.19Å; L389-L393 VanDerWaalsContact O-CB 3.28Å; L389-L393 WeakPolarHBondContact O-CB 3.46Å; L389-L393 WeakPolarHBondContact O-CG 3.45Å; L389-L393 PolarHBondContact O-N 3.14Å
390A72.6Confident63.6Low60 Ų6067.7 Ų67.750%0.49639%0.394SS..Hα-helixtrans-60.8-44176.500000111.8S386 S387 Q394S386-A390 VanDerWaalsContact O-CB 3.26Å; S386-A390 WeakPolarHBondContact O-CB 3.27Å; S386-A390 PolarHBondContact O-N 2.87Å; S387-A390 PolarHBondContact O-N 2.67Å; A390-Q394 WeakPolarHBondContact O-CB 3.43Å; A390-Q394 PolarHBondContact O-N 3.09Å
391A73.9Confident65.3Low65 Ų6568.1 Ų68.154%0.53739%0.391SS..Hα-helixtrans-61.9-46.9176.600000112.5S387 G388 L389 Q394 E395S387-A391 PolarHBondContact O-N 3.1Å; G388-A391 PolarHBondContact O-N 2.95Å; L389-A391 PolarHBondContact O-N 2.94Å; A391-Q394 WeakPolarHBondContact O-CB 3.42Å; A391-Q394 PolarHBondContact O-N 2.55Å; A391-E395 PolarHBondContact O-N 2.8Å
392M73.4Confident66.8Low53 Ų5371.5 Ų71.526%0.26139%0.39SS..Hα-helixtrans-70.8-36.6-179176.1163.337.400113.4H97 G388 L389 E395 A396H97-M392 VanDerWaalsContact CD2-CE 3.44Å; H97-M392 WeakPolarHBondContact CD2-CE 3.11Å; H97-M392 WeakPolarHBondContact NE2-CE 3.33Å; H97-M392 PolarHBondContact NE2-SD 3.38Å; H97-M392 VanDerWaalsContact NE2-SD 3.39Å; G388-M392 WeakPolarHBondContact O-CB 3.39Å; G388-M392 PolarHBondContact O-N 3.45Å; G388-M392 VanDerWaalsContact O-N 3.08Å; L389-M392 HydrophobicContact CD2-CE 4.27Å; L389-M392 PolarHBondContact O-N 2.94Å; M392-E395 PolarHBondContact O-N 3.38Å; M392-A396 PolarHBondContact O-N 3.42Å
393L79.7Confident67.7Low24 Ų2470.3 Ų70.313%0.12639%0.39CS..Hα-helixtrans-69.9-35172.9-67.4175.6000111.5W29 F82 L389 E395 A396 I397W29-L393 HydrophobicContact CB-CD1 3.89Å; W29-L393 HydrophobicContact CB-CD2 4.49Å; W29-L393 HydrophobicContact CG-CD1 4.16Å; W29-L393 HydrophobicContact CG-CD2 4.01Å; F82-L393 HydrophobicContact CD2-CD2 4.35Å; F82-L393 HydrophobicContact CE1-CD2 4.37Å; F82-L393 HydrophobicContact CE2-CD2 4.08Å; F82-L393 HydrophobicContact CZ-CD2 4.08Å; L389-L393 HydrophobicContact CD2-CD1 4.21Å; L389-L393 HydrophobicContact CD2-CG 4.19Å; L389-L393 VanDerWaalsContact O-CB 3.28Å; L389-L393 WeakPolarHBondContact O-CB 3.46Å; L389-L393 WeakPolarHBondContact O-CG 3.45Å; L389-L393 PolarHBondContact O-N 3.14Å; L393-E395 VanDerWaalsContact C-N 3.33Å; L393-A396 PolarHBondContact O-N 3.18Å; L393-I397 WeakPolarHBondContact O-CB 3.37Å; L393-I397 WeakPolarHBondContact O-CD1 3.13Å; L393-I397 VanDerWaalsContact O-CG1 3.23Å; L393-I397 WeakPolarHBondContact O-CG1 3.09Å; L393-I397 PolarHBondContact O-N 2.96Å
394Q77.6Confident68.9Low124 Ų12472.8 Ų72.858%0.57940%0.399SS*.Hα-helixtrans-64.2-37.4170.4-178.768.9-4.200111.4A390 A391 I397 A398A390-Q394 WeakPolarHBondContact O-CB 3.43Å; A390-Q394 PolarHBondContact O-N 3.09Å; A391-Q394 WeakPolarHBondContact O-CB 3.42Å; A391-Q394 PolarHBondContact O-N 2.55Å; Q394-I397 PolarHBondContact O-N 2.86Å; Q394-A398 WeakPolarHBondContact O-CB 3.44Å; Q394-A398 PolarHBondContact O-N 2.64Å
395E77Confident69.5Low119 Ų11974.7 Ų74.756%0.55640%0.399SS*.Hα-helixtrans-66.3-44.5172.1179.2163.9-151.200112.4A391 M392 L393 I397 A398 A399A391-E395 PolarHBondContact O-N 2.8Å; M392-E395 PolarHBondContact O-N 3.38Å; L393-E395 VanDerWaalsContact C-N 3.33Å; E395-I397 VanDerWaalsContact C-N 3.31Å; E395-I397 PolarHBondContact O-N 3.45Å; E395-A398 CarbonylContact O-C 3.41Å; E395-A398 WeakPolarHBondContact O-CA 3.39Å; E395-A398 WeakPolarHBondContact O-CB 3.44Å; E395-A398 PolarHBondContact O-N 2.82Å; E395-A399 PolarHBondContact O-N 3.04Å
396A71.4Confident69.8Low2 Ų274.7 Ų74.72%0.01740%0.402CS..Hα-helixtrans-58.8-42.1174.200000111.9H79 F82 M392 L393 A398 A399 R400H79-A396 HydrophobicContact CB-CB 3.93Å; F82-A396 HydrophobicContact CD1-CB 4.26Å; M392-A396 PolarHBondContact O-N 3.42Å; L393-A396 PolarHBondContact O-N 3.18Å; A396-A398 VanDerWaalsContact C-N 3.34Å; A396-A398 PolarHBondContact O-N 2.8Å; A396-A399 PolarHBondContact O-N 2.73Å; A396-R400 WeakPolarHBondContact O-CG 3.45Å; A396-R400 PolarHBondContact O-N 2.62Å
397I79.4Confident69.8Low53 Ų5381 Ų8127%0.27242%0.415SS..Hα-helixtrans-63.8-38.1173.2-69.9164.8000111.3L393 Q394 E395 K401L393-I397 WeakPolarHBondContact O-CB 3.37Å; L393-I397 WeakPolarHBondContact O-CD1 3.13Å; L393-I397 VanDerWaalsContact O-CG1 3.23Å; L393-I397 WeakPolarHBondContact O-CG1 3.09Å; L393-I397 PolarHBondContact O-N 2.96Å; Q394-I397 PolarHBondContact O-N 2.86Å; E395-I397 VanDerWaalsContact C-N 3.31Å; E395-I397 PolarHBondContact O-N 3.45Å; I397-K401 WeakPolarHBondContact O-CG 3.01Å; I397-K401 PolarHBondContact O-N 2.9Å; I397-K401 VanDerWaalsContact O-N 3.12Å
398A77.1Confident69Low34 Ų3481.5 Ų81.528%0.28142%0.418SS..Hα-helixtrans-68-41.3174.600000112.3Q394 E395 A396 K401 R402Q394-A398 WeakPolarHBondContact O-CB 3.44Å; Q394-A398 PolarHBondContact O-N 2.64Å; E395-A398 CarbonylContact O-C 3.41Å; E395-A398 WeakPolarHBondContact O-CA 3.39Å; E395-A398 WeakPolarHBondContact O-CB 3.44Å; E395-A398 PolarHBondContact O-N 2.82Å; A396-A398 VanDerWaalsContact C-N 3.34Å; A396-A398 PolarHBondContact O-N 2.8Å; A398-K401 WeakPolarHBondContact O-CB 3.49Å; A398-K401 PolarHBondContact O-N 2.94Å; A398-K401 VanDerWaalsContact O-N 3.13Å; A398-R402 WeakPolarHBondContact O-CG 3.18Å; A398-R402 PolarHBondContact O-N 2.7Å
399A72.7Confident67.8Low14 Ų1484.5 Ų84.512%0.11642%0.424CS..Hα-helixtrans-61.6-45.3175.700000111.6E395 A396 K401 R402 N403E395-A399 PolarHBondContact O-N 3.04Å; A396-A399 PolarHBondContact O-N 2.73Å; A399-K401 VanDerWaalsContact C-N 3.29Å; A399-K401 PolarHBondContact O-N 2.91Å; A399-R402 PolarHBondContact O-N 3.33Å; A399-N403 WeakPolarHBondContact O-CB 3.45Å; A399-N403 PolarHBondContact O-N 3.03Å
400R71.2Confident66.9Low71 Ų7190.9 Ų90.927%0.26846%0.458SS..Hα-helixtrans-55.9-39.1170.8-76.9161.6149.3-167.2-6.4112.7E84 A396 K404E84-R400 VanDerWaalsContact CD-CZ 3.46Å; E84-R400 IonicContact OE1-CZ 3.94Å; E84-R400 IonicContact OE1-NE 2.98Å; E84-R400 PolarHBondContact OE1-NE 3.04Å; E84-R400 IonicContact OE1-NH2 2.97Å; E84-R400 PolarHBondContact OE1-NH2 2.93Å; E84-R400 IonicContact OE2-CZ 3.5Å; E84-R400 IonicContact OE2-NE 2.87Å; E84-R400 PolarHBondContact OE2-NE 3.38Å; E84-R400 VanDerWaalsContact OE2-NE 3.1Å; E84-R400 IonicContact OE2-NH1 2.75Å; E84-R400 IonicContact OE2-NH2 3.43Å; E84-R400 PolarHBondContact OE2-NH2 3.25Å; A396-R400 WeakPolarHBondContact O-CG 3.45Å; A396-R400 PolarHBondContact O-N 2.62Å; R400-K404 PolarHBondContact O-N 2.91Å
401K76.9Confident65.6Low128 Ų12893.5 Ų93.556%0.55747%0.473SS*.Hα-helixtrans-66.5-51.1174.6-74.9178.9178.9-178.70112.3I397 A398 A399 N403 K404 E405I397-K401 WeakPolarHBondContact O-CG 3.01Å; I397-K401 PolarHBondContact O-N 2.9Å; I397-K401 VanDerWaalsContact O-N 3.12Å; A398-K401 WeakPolarHBondContact O-CB 3.49Å; A398-K401 PolarHBondContact O-N 2.94Å; A398-K401 VanDerWaalsContact O-N 3.13Å; A399-K401 VanDerWaalsContact C-N 3.29Å; A399-K401 PolarHBondContact O-N 2.91Å; K401-N403 VanDerWaalsContact C-N 3.27Å; K401-N403 PolarHBondContact O-N 2.88Å; K401-K404 WeakPolarHBondContact O-CA 3.23Å; K401-K404 WeakPolarHBondContact O-CB 3.44Å; K401-K404 PolarHBondContact O-N 3.34Å; K401-E405 PolarHBondContact O-N 2.87Å
402R74.6Confident64.3Low132 Ų13296.6 Ų96.650%0.49848%0.479SS..Hα-helixtrans-54.1-44.6176.8-63.7179.1-150.3131.3-0.7111.5A398 A399 K404 E405 N406A398-R402 WeakPolarHBondContact O-CG 3.18Å; A398-R402 PolarHBondContact O-N 2.7Å; A399-R402 PolarHBondContact O-N 3.33Å; R402-K404 VanDerWaalsContact C-N 3.29Å; R402-K404 PolarHBondContact O-N 2.97Å; R402-E405 PolarHBondContact O-N 3.39Å; R402-N406 PolarHBondContact O-N 3.04Å
403N66.2Low62.4Low95 Ų95105.4 Ų105.451%0.50851%0.51SS..Hα-helixtrans-64.9-31.8178.3-72.5-5.5000112.7A399 K401 R407A399-N403 WeakPolarHBondContact O-CB 3.45Å; A399-N403 PolarHBondContact O-N 3.03Å; K401-N403 VanDerWaalsContact C-N 3.27Å; K401-N403 PolarHBondContact O-N 2.88Å; N403-R407 WeakPolarHBondContact O-CB 3.35Å; N403-R407 PolarHBondContact O-N 3.28Å
404K66.8Low60.6Low161 Ų161109.5 Ų109.570%0.754%0.537SS*.Hα-helixtrans-74-36.5174.6-169.4175.8-178.4-179.30112.5R400 K401 R402R400-K404 PolarHBondContact O-N 2.91Å; K401-K404 WeakPolarHBondContact O-CA 3.23Å; K401-K404 WeakPolarHBondContact O-CB 3.44Å; K401-K404 PolarHBondContact O-N 3.34Å; R402-K404 VanDerWaalsContact C-N 3.29Å; R402-K404 PolarHBondContact O-N 2.97Å
405E58.2Low58.8Low119 Ų119109.3 Ų109.356%0.55655%0.55SS*.Hα-helixtrans-69.1-44.3177.6-72.9163.2-176.400111.4K401 R402 R407 C408K401-E405 PolarHBondContact O-N 2.87Å; R402-E405 PolarHBondContact O-N 3.39Å; E405-R407 VanDerWaalsContact C-N 3.34Å; E405-R407 PolarHBondContact O-N 2.9Å; E405-C408 PolarHBondContact O-N 2.86Å; E405-C408 VanDerWaalsContact O-N 3.15Å
406N53.3Low57.1Low103 Ų103110.6 Ų110.655%0.55156%0.559SS**Hα-helixtrans-60.1-42.4174.4-74.5-6.3000112.1R402 C408 N409R402-N406 PolarHBondContact O-N 3.04Å; N406-C408 PolarHBondContact O-N 2.99Å; N406-N409 PolarHBondContact O-N 2.88Å
407R48.9Very low55.6Low205 Ų205118.5 Ų118.577%0.77460%0.601SS**Hα-helixtrans-66.8-3.5179.1-145.1178-163.6177.36.7114.4N403 E405N403-R407 WeakPolarHBondContact O-CB 3.35Å; N403-R407 PolarHBondContact O-N 3.28Å; E405-R407 VanDerWaalsContact C-N 3.34Å; E405-R407 PolarHBondContact O-N 2.9Å
408C44.7Very low53.4Low88 Ų88120.8 Ų120.860%0.59562%0.622SS**Hα-helixtrans-105-13.8171.9-71.90000114.1E405 N406E405-C408 PolarHBondContact O-N 2.86Å; E405-C408 VanDerWaalsContact O-N 3.15Å; N406-C408 PolarHBondContact O-N 2.99Å
409N45.4Very low51.5Low101 Ų101125.7 Ų125.754%0.5465%0.649SS.*Hα-helixtrans-97.3-18.4-172.2-74.7-23.6000114.6N406 S411 I412N406-N409 PolarHBondContact O-N 2.88Å; N409-S411 PolarHBondContact O-N 2.93Å; N409-I412 PolarHBondContact O-N 3.38Å
410D45Very low49.8Very low157 Ų157130.8 Ų130.884%0.8468%0.683SS**THydrogen-bonded Turntrans-62.7-5.2176.3-76.6-39.6000114.5
411S44.3Very low48.3Very low115 Ų115131.5 Ų131.580%0.80470%0.699SS**THydrogen-bonded Turntrans-91.7-2.9172.4-66.90000114.5N409N409-S411 PolarHBondContact O-N 2.93Å
412I46.5Very low46.8Very low130 Ų130132.3 Ų132.367%0.66771%0.71SS**SBendtrans-125.497-179.7-55.2-177.4000110.6N409 P414N409-I412 PolarHBondContact O-N 3.38Å; I412-P414 VanDerWaalsContact O-CD 3.31Å; I412-P414 WeakPolarHBondContact O-CD 3.46Å
413R34.4Very low45.1Very low239 Ų239133.3 Ų133.390%0.90273%0.725SS**  trans-64.6116.1173.9179-173.2-178.7-150.41.8110.7
414P41.5Very low44Very low109 Ų109134 Ų13471%0.70873%0.734SS**  trans-73.5130.2175.629.5-33.3000111I412 I416I412-P414 VanDerWaalsContact O-CD 3.31Å; I412-P414 WeakPolarHBondContact O-CD 3.46Å; P414-I416 PolarHBondContact O-N 2.84Å
415S40Very low42.7Very low120 Ų120133.8 Ų133.884%0.83974%0.739SS**  trans-80.2112171.654.10000110.3
416I41.4Very low41.9Very low146 Ų146135.2 Ų135.275%0.74975%0.749SS**  trans-75.9132.2179.6-30.9173.3000109.9P414P414-I416 PolarHBondContact O-N 2.84Å
417N38.5Very low41.2Very low169 Ų169134.8 Ų134.890%0.90475%0.754SS**  trans-117.5126.9158.7-95.9-15.1000107.9
418S34.3Very low40.7Very low100 Ų100131.4 Ų131.470%0.69976%0.757SS**  trans-124.2135.7-171.6-52.30000111.3
419T36.1Very low40.5Very low138 Ų138134.2 Ų134.285%0.84777%0.771SS**  trans-146.3130.8168.536.60000111.5
420S37.5Very low40.8Very low120 Ų120139.4 Ų139.484%0.83979%0.789SS**  trans62.3141.4172.6-74.80000118.5
421S40.3Very low41.4Very low87 Ų87137 Ų13761%0.60878%0.784SS**  cis-169.1142.4-11.743.40000111.4
422N44.2Very low42.7Very low145 Ų145137.1 Ų137.178%0.77578%0.783SS**  trans56.6120.7148.8-52.2-9.7000117.4
423N39.5Very low44.1Very low153 Ų153136.5 Ų136.582%0.81879%0.787SS**  cis-150.4165.341.2-88.8-38.9000113.4
424P43.1Very low46.3Very low109 Ų109130.6 Ų130.671%0.70878%0.78SS**  trans-104.8163.3-173.639.8-34.6000115.1
425I40.1Very low47.9Very low157 Ų157130.9 Ų130.981%0.80578%0.782SS**  -166.4123.1125.9-95.6151.2000110.8
426I41.7Very low49.8Very low149 Ų149130.8 Ų130.876%0.76478%0.778SS**  trans-4.3126.7151.2-19.3-179.3000114.7
427S37.8Very low51.8Low94 Ų94129.4 Ų129.466%0.65778%0.779SS**  -169.8143.962.5-55.20000116
428T37.8Very low53.7Low134 Ų134126.8 Ų126.882%0.82277%0.771SS**  trans42.1106.214758.80000121.4
429T41.7Very low55.6Low146 Ų146127.6 Ų127.690%0.89677%0.774SS**  trans-134.1151.8148.552.40000110.7
430K51.6Low57.7Low210 Ų210127 Ų12791%0.91377%0.772SS**PPolyproline II helixtrans-73.2140.1-176.3-86.6178.4172.1175.40112.3
431S57.5Low59.4Low107 Ų107127.5 Ų127.575%0.74877%0.77SS**PPolyproline II helixtrans-72.6149.8162.248.10000111.8
432P70.2Confident60.7Low118 Ų118128.8 Ų128.877%0.76678%0.776SS**PPolyproline II helixtrans-71.8154.1174.330.4-35.2000112.1
433P75.9Confident61.9Low116 Ų116127.5 Ų127.575%0.75378%0.776SS**PPolyproline II helixtrans-72.6155.7176.431.4-35.6000112.4
434P81.2Confident62.3Low116 Ų116126.5 Ų126.575%0.75378%0.776SS**PPolyproline II helixtrans-70.3156.3175.530.8-35.8000112.4
435P76.3Confident62.5Low115 Ų115129.2 Ų129.275%0.74778%0.783SS**PPolyproline II helixtrans-67.4153.1175.229.5-35.5000112.2
436P78Confident62.7Low118 Ų118127 Ų12777%0.76678%0.782SS**PPolyproline II helixtrans-69.4152.5178.929.5-35.4000112.4
437P83.6Confident62.6Low117 Ų117125.2 Ų125.276%0.7678%0.782SS**PPolyproline II helixtrans-68.8155.6176.730-35.7000112.3
438P78.2Confident62.6Low114 Ų114128 Ų12874%0.7479%0.79SS**PPolyproline II helixtrans-65.5151.2175.528.9-35.4000111.9
439P75.9Confident62.7Low117 Ų117127.5 Ų127.576%0.7679%0.787SS**PPolyproline II helixtrans-66.4146.4178.328.3-35000111.7
440P79.5Confident62.6Low124 Ų124128.8 Ų128.881%0.80578%0.783SS**PPolyproline II helixtrans-66.8149.5178.928.5-35.2000112
441T72.2Confident62.1Low131 Ų131126.3 Ų126.380%0.80478%0.779SS**PPolyproline II helixtrans-66.8140.417636.70000111.7
442P67.5Low61.4Low114 Ų114127 Ų12774%0.7477%0.774SS**PPolyproline II helixtrans-68.5142.9176.528.6-34.3000111.1
443P70.2Confident60.1Low119 Ų119127.3 Ų127.377%0.77377%0.769SS**PPolyproline II helixtrans-74137.1-17529.2-35.1000112.9L445P443-L445 PolarHBondContact O-N 2.85Å
444T48.9Very low58.4Low132 Ų132128 Ų12881%0.8177%0.766SS**  trans-75.4107174.4-48.60000110.4S446T444-S446 PolarHBondContact O-N 2.9Å
445L46.9Very low56.7Low165 Ų165130.6 Ų130.686%0.86477%0.766SS**  trans-76.2112.3174.2-88.9159.7000111.2P443P443-L445 PolarHBondContact O-N 2.85Å
446S44.6Very low55.1Low111 Ų111131.9 Ų131.978%0.77677%0.766SS**  trans-95.6127.7165.5-54.30000109.6T444T444-S446 PolarHBondContact O-N 2.9Å
447S38.5Very low53.5Low111 Ų111133.8 Ų133.878%0.77677%0.77SS**  trans-121.492.3-171.660.20000113.5
448N39Very low51.5Low154 Ų154133.6 Ų133.682%0.82477%0.769SS**  trans-112154.8147.9-68.8-31.6000106
449T38.8Very low49.7Very low123 Ų123135.1 Ų135.176%0.75577%0.769SS**  cis-154.9167.321.3-28.20000110.3
450Q39.3Very low48Very low173 Ų173137.9 Ų137.981%0.80877%0.769SS**  trans15.6131.1154.5-88.9177.7-34.700121.1
451L41.6Very low46Very low157 Ų157142 Ų14282%0.82277%0.769SS**  -171.8131.9110.1-101.8159.6000114.2
452D42.7Very low44.4Very low122 Ų122141.6 Ų141.665%0.65277%0.767SS**  trans38.7112.5145.3-78.826.5000125.2
453N42.6Very low42.9Very low125 Ų125143 Ų14367%0.66877%0.768SS**  82.1127.4116.3-69.4-38.2000124.6
454N40.1Very low41.4Very low129 Ų129141.7 Ų141.769%0.6976%0.761SS**  trans76.597.6148.6-75.4-40.8000122.8
455K47.2Very low40.9Very low172 Ų172141.2 Ų141.275%0.74876%0.759SS**  48.4104.1110.8-76.4-177.4178.1173.50119
456N42.1Very low40.7Very low141 Ų141142.5 Ų142.575%0.75476%0.76SS**  164.411285.8-92-16.8000113.9
457N44.6Very low40.5Very low159 Ų159145.3 Ų145.385%0.8576%0.761SS**  trans50.4152.6150.2-76.51.2000123.3
458P41.6Very low40.4Very low112 Ų112147.9 Ų147.973%0.72777%0.765SS**  trans-108.3171.7-165.942.1-35.1000114.3
459I40.4Very low40.6Very low146 Ų146152.5 Ų152.575%0.74977%0.771SS**  trans-178.9142.4142.8-100.3155.2000109.8
460K40.5Very low41Very low175 Ų175154.8 Ų154.876%0.76177%0.771SS**  trans63.7158.7174.1-72.3159.8-168.7173.60115.7
461R36.2Very low41.4Very low211 Ų211150.3 Ų150.380%0.79675%0.752SS**  cis-164.3168.5-35.3-119-180-168.3159.22.3106.6
462T39.9Very low41.9Very low123 Ų123147.4 Ų147.476%0.75575%0.745SS**  trans56.6118.8158.946.70000119.1
463D36.2Very low42.5Very low143 Ų143147.6 Ų147.677%0.76575%0.745SS**  118.4145.1121-116.4-67.1000121.2
464S37.5Very low43.2Very low91 Ų91146.2 Ų146.264%0.63674%0.737SS**  trans56.9111.1150.7-73.50000121.7
465T38Very low44.1Very low123 Ų123149.3 Ų149.376%0.75574%0.739SS**  72.473.5126.7-46.50000118.4
466Q42.9Very low44.6Very low191 Ų191148.6 Ų148.689%0.89374%0.736SS**  trans-171.783.8137.8-107.716293.600113
467Q41.2Very low45.9Very low171 Ų171145.1 Ų145.180%0.79972%0.723SS**  trans-158.689.3165.2-122.5154.980.300111.2
468L36.9Very low47.3Very low164 Ų164141.4 Ų141.486%0.85971%0.709SS**  trans-141145.2172.2-75.7171.5000108.3
469R41.9Very low49.2Very low252 Ų252142.3 Ų142.395%0.95171%0.705SS**SBendtrans81.432179.1-45.9178.9-175.61661.7118.2
470K46.5Very low51.4Low171 Ų171140.4 Ų140.474%0.74370%0.696SS**SBendtrans-128.4-30.3162.6-157.499.2-177.9-170.40114.7S472K470-S472 VanDerWaalsContact C-N 3.3Å; K470-S472 PolarHBondContact O-N 3.21Å; K470-S472 VanDerWaalsContact O-N 3.11Å
471D49.3Very low53.6Low79 Ų79134.4 Ų134.442%0.42268%0.679SS.*Hα-helixtrans-812.9-158.8-37.4-80.6000116.2R475D471-R475 WeakPolarHBondContact O-CG 3.23Å
472S52.2Low55.8Low95 Ų95127 Ų12766%0.66465%0.654SS**Hα-helixtrans-82.7-30.1-174.8-1680000113.4K470K470-S472 VanDerWaalsContact C-N 3.3Å; K470-S472 PolarHBondContact O-N 3.21Å; K470-S472 VanDerWaalsContact O-N 3.11Å
473I55Low58.1Low127 Ų127125.1 Ų125.165%0.65164%0.638SS**Hα-helixtrans-81.5-47.8-176.9-73.8172.2000110.8R475 K476 S477I473-R475 VanDerWaalsContact C-N 3.27Å; I473-R475 PolarHBondContact O-N 2.98Å; I473-K476 PolarHBondContact O-N 2.98Å; I473-S477 PolarHBondContact O-N 3.34Å
474D56.9Low60.8Low96 Ų96124.1 Ų124.151%0.51363%0.629SS.*Hα-helixtrans-66.2-25.3-175.9-65.5-47.5000114K476 S477 S478D474-K476 VanDerWaalsContact C-N 3.29Å; D474-K476 PolarHBondContact O-N 3.23Å; D474-S477 PolarHBondContact O-N 3.46Å; D474-S478 VanDerWaalsContact O-CB 3.24Å; D474-S478 WeakPolarHBondContact O-CB 3.47Å; D474-S478 PolarHBondContact O-N 3.1Å
475R59.6Low63.2Low193 Ų193127.5 Ų127.573%0.72863%0.628SS**Hα-helixtrans-61.9-34.3172.3-75.5-176-176.5-153.31.8112.8D471 I473 M479D471-R475 WeakPolarHBondContact O-CG 3.23Å; I473-R475 VanDerWaalsContact C-N 3.27Å; I473-R475 PolarHBondContact O-N 2.98Å; R475-M479 WeakPolarHBondContact O-CB 3.46Å; R475-M479 PolarHBondContact O-N 3.36Å; R475-M479 VanDerWaalsContact O-N 3.15Å
476K58.2Low65.6Low158 Ų158128.5 Ų128.569%0.68762%0.618SS**Hα-helixtrans-73.4-43.9176.8-65.6-173.9179.1-177.70110.9I473 D474 S478 M479 L480I473-K476 PolarHBondContact O-N 2.98Å; D474-K476 VanDerWaalsContact C-N 3.29Å; D474-K476 PolarHBondContact O-N 3.23Å; K476-S478 PolarHBondContact O-N 2.98Å; K476-M479 PolarHBondContact O-N 2.98Å; K476-L480 PolarHBondContact O-N 2.97Å; K476-L480 VanDerWaalsContact O-N 3.12Å
477S67.6Low67.7Low68 Ų68123.8 Ų123.848%0.47660%0.598SS.*Hα-helixtrans-57.9-46174.4-48.40000112I473 D474 L480 A481I473-S477 PolarHBondContact O-N 3.34Å; D474-S477 PolarHBondContact O-N 3.46Å; S477-L480 PolarHBondContact O-N 2.94Å; S477-A481 PolarHBondContact O-N 3.42Å; S477-A481 VanDerWaalsContact O-N 3.12Å
478S74.6Confident69.9Low80 Ų80121.5 Ų121.556%0.55959%0.587SS**Hα-helixtrans-63.3-43.6178.8-176.50000112.6D474 K476 L480 A481 E482D474-S478 VanDerWaalsContact O-CB 3.24Å; D474-S478 WeakPolarHBondContact O-CB 3.47Å; D474-S478 PolarHBondContact O-N 3.1Å; K476-S478 PolarHBondContact O-N 2.98Å; S478-L480 VanDerWaalsContact C-N 3.35Å; S478-L480 PolarHBondContact O-N 2.84Å; S478-A481 PolarHBondContact O-N 3.49Å; S478-E482 WeakPolarHBondContact O-CB 3.28Å; S478-E482 PolarHBondContact O-N 3.2Å
479M81.1Confident72.3Confident131 Ų131115.7 Ų115.765%0.64556%0.563SS**Hα-helixtrans-62.2-40.4176-175.6-179.9-71.800112.3R475 K476 E482 I483R475-M479 WeakPolarHBondContact O-CB 3.46Å; R475-M479 PolarHBondContact O-N 3.36Å; R475-M479 VanDerWaalsContact O-N 3.15Å; K476-M479 PolarHBondContact O-N 2.98Å; M479-E482 PolarHBondContact O-N 3.44Å; M479-I483 HydrophobicContact CG-CD1 3.93Å; M479-I483 VanDerWaalsContact O-CG1 3.29Å; M479-I483 WeakPolarHBondContact O-CG1 3.24Å; M479-I483 PolarHBondContact O-N 3.05Å
480L86.7Confident74.4Confident106 Ų106112.3 Ų112.356%0.55555%0.55SS*.Hα-helixtrans-64.8-44.3178.8-120.5162.5000111.9K476 S477 S478 E482 I483 Q484K476-L480 PolarHBondContact O-N 2.97Å; K476-L480 VanDerWaalsContact O-N 3.12Å; S477-L480 PolarHBondContact O-N 2.94Å; S478-L480 VanDerWaalsContact C-N 3.35Å; S478-L480 PolarHBondContact O-N 2.84Å; L480-E482 VanDerWaalsContact C-N 3.35Å; L480-E482 PolarHBondContact O-N 3.06Å; L480-I483 PolarHBondContact O-N 3.44Å; L480-Q484 WeakPolarHBondContact O-CG 3.49Å; L480-Q484 PolarHBondContact O-N 3.42Å
481A88Confident76.2Confident50 Ų50112.2 Ų112.241%0.41355%0.545SS..Hα-helixtrans-62.6-39.5175.400000112.5S477 S478 Q484 R485S477-A481 PolarHBondContact O-N 3.42Å; S477-A481 VanDerWaalsContact O-N 3.12Å; S478-A481 PolarHBondContact O-N 3.49Å; A481-Q484 PolarHBondContact O-N 2.98Å; A481-R485 WeakPolarHBondContact O-CB 3.47Å; A481-R485 PolarHBondContact O-N 3.08Å
482E82.2Confident77.9Confident56 Ų56114.1 Ų114.126%0.26255%0.551SS.*Hα-helixtrans-70.9-33.7177.7176.863.7-176.300112.7S478 M479 L480 R485 R486S478-E482 WeakPolarHBondContact O-CB 3.28Å; S478-E482 PolarHBondContact O-N 3.2Å; M479-E482 PolarHBondContact O-N 3.44Å; L480-E482 VanDerWaalsContact C-N 3.35Å; L480-E482 PolarHBondContact O-N 3.06Å; E482-R485 IonicContact OE2-CZ 2.68Å; E482-R485 IonicContact OE2-NE 3.29Å; E482-R485 IonicContact OE2-NH1 3.1Å; E482-R485 PolarHBondContact OE2-NH1 3.04Å; E482-R486 VanDerWaalsContact CG-NH1 3.26Å; E482-R486 PolarHBondContact O-N 2.81Å; E482-R486 VanDerWaalsContact O-N 3.08Å; E482-R486 IonicContact OE1-CZ 3.15Å; E482-R486 IonicContact OE1-NE 3.09Å; E482-R486 IonicContact OE1-NH1 2.75Å; E482-R486 PolarHBondContact OE1-NH1 3.4Å; E482-R486 IonicContact OE1-NH2 2.71Å; E482-R486 PolarHBondContact OE1-NH2 3.08Å
483I88.5Confident79.2Confident83 Ų83115.7 Ų115.743%0.42655%0.551SS.*Hα-helixtrans-65.3-47.1170.6-71.9165.6000110.2M479 L480 R485 R486 I487M479-I483 HydrophobicContact CG-CD1 3.93Å; M479-I483 VanDerWaalsContact O-CG1 3.29Å; M479-I483 WeakPolarHBondContact O-CG1 3.24Å; M479-I483 PolarHBondContact O-N 3.05Å; L480-I483 PolarHBondContact O-N 3.44Å; I483-R485 PolarHBondContact O-N 3.39Å; I483-R486 PolarHBondContact O-N 3.46Å; I483-I487 HydrophobicContact CG2-CD1 3.82Å; I483-I487 WeakPolarHBondContact O-CG1 3.27Å; I483-I487 PolarHBondContact O-N 3.45Å
484Q91.8Very high80.3Confident121 Ų121114.2 Ų114.257%0.56554%0.544SS*.Hα-helixtrans-59.9-44.3176.6-73.6175.8-42.900111.8L480 A481 R486 I487 Q488L480-Q484 WeakPolarHBondContact O-CG 3.49Å; L480-Q484 PolarHBondContact O-N 3.42Å; A481-Q484 PolarHBondContact O-N 2.98Å; Q484-R486 PolarHBondContact O-N 3.49Å; Q484-I487 PolarHBondContact O-N 3.02Å; Q484-Q488 PolarHBondContact O-N 2.79Å
485R88.9Confident81.2Confident163 Ų163114.1 Ų114.162%0.61554%0.543SS*.Hα-helixtrans-56-46.8174.1-177.4-172.8-72.5146.5-9112A481 E482 I483 I487 Q488 A489A481-R485 WeakPolarHBondContact O-CB 3.47Å; A481-R485 PolarHBondContact O-N 3.08Å; E482-R485 IonicContact OE2-CZ 2.68Å; E482-R485 IonicContact OE2-NE 3.29Å; E482-R485 IonicContact OE2-NH1 3.1Å; E482-R485 PolarHBondContact OE2-NH1 3.04Å; I483-R485 PolarHBondContact O-N 3.39Å; R485-I487 PolarHBondContact O-N 3.34Å; R485-Q488 PolarHBondContact O-N 2.98Å; R485-A489 WeakPolarHBondContact O-CB 3.38Å; R485-A489 PolarHBondContact O-N 3.47Å
486R87.7Confident81.9Confident144 Ų144107.9 Ų107.954%0.54353%0.533SS..Hα-helixtrans-65.2-35.9177.5-79.2-170.4170.190.310.7113.3E482 I483 Q484 R490E482-R486 VanDerWaalsContact CG-NH1 3.26Å; E482-R486 PolarHBondContact O-N 2.81Å; E482-R486 VanDerWaalsContact O-N 3.08Å; E482-R486 IonicContact OE1-CZ 3.15Å; E482-R486 IonicContact OE1-NE 3.09Å; E482-R486 IonicContact OE1-NH1 2.75Å; E482-R486 PolarHBondContact OE1-NH1 3.4Å; E482-R486 IonicContact OE1-NH2 2.71Å; E482-R486 PolarHBondContact OE1-NH2 3.08Å; I483-R486 PolarHBondContact O-N 3.46Å; Q484-R486 PolarHBondContact O-N 3.49Å; R486-R490 WeakPolarHBondContact O-CG 3.22Å; R486-R490 PolarHBondContact O-N 2.91Å
487I86.9Confident82.3Confident92 Ų92103.5 Ų103.547%0.47253%0.526SS..Hα-helixtrans-68.4-43.5175.9-67.8166.3000110.5I483 Q484 R485 R490 R491I483-I487 HydrophobicContact CG2-CD1 3.82Å; I483-I487 WeakPolarHBondContact O-CG1 3.27Å; I483-I487 PolarHBondContact O-N 3.45Å; Q484-I487 PolarHBondContact O-N 3.02Å; R485-I487 PolarHBondContact O-N 3.34Å; I487-R490 PolarHBondContact O-N 2.88Å; I487-R491 PolarHBondContact O-N 2.89Å; I487-R491 VanDerWaalsContact O-N 3.17Å
488Q88.3Confident82Confident122 Ų122107.6 Ų107.657%0.5754%0.538SS*.Hα-helixtrans-67.1-42.8179.4-171.41724.400112.4Q484 R485 R490 R491 Q492Q484-Q488 PolarHBondContact O-N 2.79Å; R485-Q488 PolarHBondContact O-N 2.98Å; Q488-R490 VanDerWaalsContact C-N 3.31Å; Q488-R490 PolarHBondContact O-N 2.98Å; Q488-R491 WeakPolarHBondContact O-CB 3.43Å; Q488-R491 PolarHBondContact O-N 3.34Å; Q488-Q492 PolarHBondContact O-N 2.97Å; Q488-Q492 VanDerWaalsContact O-N 3.1Å
489A86.6Confident81.1Confident43 Ų43112.2 Ų112.236%0.35555%0.551SS.*Hα-helixtrans-62.9-35.7175.500000112.5R485 Q492 L493R485-A489 WeakPolarHBondContact O-CB 3.38Å; R485-A489 PolarHBondContact O-N 3.47Å; A489-Q492 PolarHBondContact O-N 2.86Å; A489-L493 WeakPolarHBondContact O-CG 3.32Å; A489-L493 PolarHBondContact O-N 3.41Å; A489-L493 VanDerWaalsContact O-N 3.1Å
490R85.8Confident79.8Confident180 Ų180114.4 Ų114.468%0.67956%0.56SS**Hα-helixtrans-66.8-35.5174.1-81.1178.2174.2162.1-2.7113.2R486 I487 Q488 I494R486-R490 WeakPolarHBondContact O-CG 3.22Å; R486-R490 PolarHBondContact O-N 2.91Å; I487-R490 PolarHBondContact O-N 2.88Å; Q488-R490 VanDerWaalsContact C-N 3.31Å; Q488-R490 PolarHBondContact O-N 2.98Å; R490-I494 WeakPolarHBondContact O-CG1 3.3Å; R490-I494 PolarHBondContact O-N 3.29Å
491R85.1Confident77.2Confident170 Ų170115.2 Ų115.264%0.64257%0.573SS**Hα-helixtrans-62.5-53.3171.9-74-179.7168.7-170-6.4110.7I487 Q488 L493 I494 D495I487-R491 PolarHBondContact O-N 2.89Å; I487-R491 VanDerWaalsContact O-N 3.17Å; Q488-R491 WeakPolarHBondContact O-CB 3.43Å; Q488-R491 PolarHBondContact O-N 3.34Å; R491-L493 PolarHBondContact O-N 3.2Å; R491-L493 VanDerWaalsContact O-N 3.09Å; R491-I494 CarbonylContact O-C 3.41Å; R491-I494 WeakPolarHBondContact O-CA 3.37Å; R491-I494 WeakPolarHBondContact O-CB 3.42Å; R491-I494 PolarHBondContact O-N 2.81Å; R491-D495 VanDerWaalsContact C-OD2 3.25Å; R491-D495 PolarHBondContact O-N 3.42Å
492Q83.7Confident74.8Confident119 Ų119116.3 Ų116.356%0.55659%0.588SS**Hα-helixtrans-57.3-30.7179.6-69.3178.6-4100113.9Q488 A489 D495 A496Q488-Q492 PolarHBondContact O-N 2.97Å; Q488-Q492 VanDerWaalsContact O-N 3.1Å; A489-Q492 PolarHBondContact O-N 2.86Å; Q492-D495 WeakPolarHBondContact CA-OD2 3.18Å; Q492-D495 PolarHBondContact N-OD2 2.92Å; Q492-A496 WeakPolarHBondContact O-CB 3.29Å; Q492-A496 PolarHBondContact O-N 2.8Å
493L80.4Confident72.9Confident127 Ų127119.4 Ų119.467%0.66562%0.616SS**Hα-helixtrans-77-23.5174-72.9171000114.2A489 R491 A497A489-L493 WeakPolarHBondContact O-CG 3.32Å; A489-L493 PolarHBondContact O-N 3.41Å; A489-L493 VanDerWaalsContact O-N 3.1Å; R491-L493 PolarHBondContact O-N 3.2Å; R491-L493 VanDerWaalsContact O-N 3.09Å; L493-A497 WeakPolarHBondContact O-CB 3.28Å; L493-A497 PolarHBondContact O-N 2.83Å
494I78.2Confident70.6Confident96 Ų96121 Ų12149%0.49263%0.632SS.*Hα-helixtrans-79.1-51.1170.1-65.9164.1000108.6R490 R491 A496 A497 E498R490-I494 WeakPolarHBondContact O-CG1 3.3Å; R490-I494 PolarHBondContact O-N 3.29Å; R491-I494 CarbonylContact O-C 3.41Å; R491-I494 WeakPolarHBondContact O-CA 3.37Å; R491-I494 WeakPolarHBondContact O-CB 3.42Å; R491-I494 PolarHBondContact O-N 2.81Å; I494-A496 PolarHBondContact O-N 2.87Å; I494-A497 PolarHBondContact O-N 2.85Å; I494-E498 PolarHBondContact O-N 2.83Å
495D76.1Confident68.2Low94 Ų94124.6 Ų124.650%0.50365%0.646SS.*Hα-helixtrans-53.1-41.6178-49.5-30000111.2R491 Q492R491-D495 VanDerWaalsContact C-OD2 3.25Å; R491-D495 PolarHBondContact O-N 3.42Å; Q492-D495 WeakPolarHBondContact CA-OD2 3.18Å; Q492-D495 PolarHBondContact N-OD2 2.92Å
496A73.7Confident65.9Low63 Ų63124.8 Ų124.852%0.52165%0.651SS.*Hα-helixtrans-77.5-21177.400000114.7Q492 I494Q492-A496 WeakPolarHBondContact O-CB 3.29Å; Q492-A496 PolarHBondContact O-N 2.8Å; I494-A496 PolarHBondContact O-N 2.87Å
497A66.2Low63.5Low65 Ų65123 Ų12354%0.53765%0.652SS.*Hα-helixtrans-82.3-26.8175.400000112.2L493 I494 E499L493-A497 WeakPolarHBondContact O-CB 3.28Å; L493-A497 PolarHBondContact O-N 2.83Å; I494-A497 PolarHBondContact O-N 2.85Å; A497-E499 VanDerWaalsContact C-N 3.33Å
498E60.7Low61.4Low155 Ų155127 Ų12772%0.72467%0.669SS**Hα-helixtrans-75.2-20.6176-68.6-177.3-175.200112.8I494I494-E498 PolarHBondContact O-N 2.83Å
499E57.5Low58.8Low176 Ų176128.3 Ų128.382%0.82267%0.674SS**SBendtrans-77.7-19.3173.2-73.2-87.9129.300113.9A497A497-E499 VanDerWaalsContact C-N 3.33Å
500E52.3Low56.4Low178 Ų178132.2 Ų132.283%0.83269%0.688SS**SBendtrans-98.530.3-173.2-149.6-179.8-15600114.7
501C33.2Very low54Low123 Ų123131.6 Ų131.683%0.83169%0.693SS**  trans-146.678.8171.9-156.10000114.5
502G36.2Very low51.8Low72 Ų72127.8 Ų127.874%0.74269%0.693SS**  trans-153.684.4-176.900000117.6
503S43.4Very low49.7Very low121 Ų121127 Ų12785%0.84670%0.7SS**  167.8151.2125.950.70000113.7
504P41.1Very low47.7Very low116 Ų116130.1 Ų130.175%0.75371%0.709SS**  trans-110.4164.5-172.940.5-34.8000115
505K41Very low45.7Very low197 Ų197130.3 Ų130.386%0.85772%0.719SS**  trans-166115.9150.5-103.4141.1-167.9172.30115.5
506K39.5Very low44Very low168 Ų168134.2 Ų134.273%0.7374%0.738SS**  68.1110.5127.2-73-172.7149.5-85.50123.5
507D38Very low42.2Very low106 Ų106135.9 Ų135.957%0.56775%0.746SS**  87.6131.3117.2-52.5-16.1000122.6
508H41.9Very low40.7Very low177 Ų177139.2 Ų139.282%0.81976%0.759SS**  trans71.7154.2160.6-57-61.4000120.6
509H33.8Very low39.6Very low149 Ų149137.2 Ų137.269%0.6976%0.762SS**  cis-171.1122.3-30.8179.9-112.8000111.2
510L37.2Very low38.6Very low124 Ų124133.4 Ų133.465%0.64976%0.755SS**  trans65.8134.4152.4-124.172.4000124
511E34.9Very low37.9Very low167 Ų167133.8 Ų133.878%0.7876%0.756SS**  112.6107.6120.9-149.2149.3-148.300123.6
512S38.1Very low38Very low91 Ų91134.6 Ų134.664%0.63675%0.753SS**  trans70.7100.4133.5-154.70000124.8
513S40.4Very low38.1Very low101 Ų101138 Ų13871%0.70676%0.759SS**  76.6152.9113-490000124.4
514K39.5Very low37.5Very low193 Ų193135.9 Ų135.984%0.83976%0.757SS**  trans71.2112.9164.1-65.6175.4-178.4175.70116.2
515S36.1Very low37.1Very low101 Ų101133.8 Ų133.871%0.70676%0.756SS**  cis88.7122.941.575.80000114.6
516I38.6Very low36.9Very low176 Ų176132.4 Ų132.490%0.90376%0.756SS**  trans-171.8155.4153.8-105.1155.9000110.7
517S36.2Very low36.7Very low98 Ų98129.2 Ų129.269%0.68576%0.755SS**  trans-101-171.5175.148.30000110.9
518V35.3Very low36.7Very low135 Ų135129.9 Ų129.982%0.81876%0.763SS**  cis-152.5-168.922.3-133.20000106.9
519S37.7Very low36.4Very low113 Ų113128.4 Ų128.479%0.7976%0.761SS**  cis-155.7-167.71.248.80000109.5
520S36.4Very low36.6Very low95 Ų95128.7 Ų128.766%0.66477%0.767SS**  trans-104.6165.7167.658.20000112.3
521E37.3Very low36.7Very low186 Ų186129.6 Ų129.687%0.86977%0.771SS**  -160.8170.7127.8-117.8168.3-141.400114.7
522N35.2Very low36.7Very low141 Ų141128.5 Ų128.575%0.75477%0.771SS**  trans-98.4163.3-157.5-49.4-72.5000114.5
523T38.2Very low36.6Very low143 Ų143128.7 Ų128.788%0.87777%0.772SS**  162.4141.7116.1-66.40000110.2
524G31.8Very low36.4Very low77 Ų77129.8 Ų129.879%0.79478%0.779SS**  trans-118.9-170.6-176.700000114.5
525G32.3Very low36.2Very low72 Ų72128.6 Ų128.674%0.74278%0.781SS**  trans149.1130.416200000118.3
526I36.5Very low36.1Very low167 Ų167131.1 Ų131.186%0.85679%0.787SS**  trans80.7119.7143-51.3174.9000120.2
527S34.5Very low35.8Very low102 Ų102127.3 Ų127.371%0.71378%0.776SS**  trans-14.2159.8149.7-39.10000119.7
528T39.1Very low35.5Very low119 Ų119132.4 Ų132.473%0.7378%0.78SS**  cis-162.3156.242.545.50000115.6
529N34.8Very low35.3Very low146 Ų146132.9 Ų132.978%0.78178%0.778SS**  trans19.5132.2145.5-50.4-11.7000123.1
530L39.3Very low35Very low155 Ų155134.5 Ų134.581%0.81278%0.783SS**  trans172120.6137.1-92.6158000106.3
531I38.7Very low34.7Very low143 Ų143135.1 Ų135.173%0.73379%0.787SS**  47.3114.372.9-44.5173000109.9
532D34.7Very low34.7Very low144 Ų144132.3 Ų132.377%0.7778%0.783SS**  cis-148.2-172.947-149.4-39.6000113.2
533S36.9Very low35Very low96 Ų96131.5 Ų131.567%0.67179%0.786SS**  trans-74.4151.9-177.157.30000116
534S36.1Very low34.6Very low123 Ų123132 Ų13286%0.8678%0.783SS**  -175.6154.4124.442.30000112.9
535L34.1Very low34.5Very low168 Ų168134 Ų13488%0.8878%0.783SS**  trans-72.1125.2-176.4-60.6157000112
536N34.5Very low34.4Very low155 Ų155136 Ų13683%0.82979%0.786SS**  trans-163.2160.7135.6-123.4-57.3000116.4
537S32.1Very low34.4Very low95 Ų95133.5 Ų133.566%0.66478%0.779SS**  trans-75.1127177.4176.80000112.9
538R30.9Very low34.5Very low205 Ų205134.5 Ų134.577%0.77478%0.78SS**  trans-171143136.4-110.8159.6-74-176.1-2.6114
539N30.2Very low34.2Very low145 Ų145133.8 Ų133.878%0.77578%0.78SS**  trans30.6113.3145.3-53-1000119
540V31.5Very low34.3Very low147 Ų147134 Ų13489%0.89178%0.781SS**  trans-115.4124152.1178.40000108.4
541S30.2Very low34.3Very low108 Ų108134.4 Ų134.476%0.75578%0.783SS**PPolyproline II helixtrans-72.5134.5-170.9-50.10000113.2
542T36.7Very low34.5Very low127 Ų127134.4 Ų134.478%0.77978%0.783SS**PPolyproline II helixtrans-71.1130.2157.646.50000109.7
543P41.2Very low34.6Very low125 Ų125135.3 Ų135.381%0.81279%0.788SS**PPolyproline II helixtrans-72.9135.9174.529.8-33.4000110.9
544N31.2Very low34.6Very low153 Ų153135.7 Ų135.782%0.81879%0.79SS**PPolyproline II helixtrans-68.9134.2171.3-70.7-24.8000110.3
545C29.1Very low34.7Very low118 Ų118137 Ų13780%0.79779%0.788SS**  trans-125.497.9158.5-168.70000108.8T547C545-T547 PolarHBondContact O-N 3.29Å
546S29.9Very low35.6Very low116 Ų116137.4 Ų137.481%0.81179%0.79SS**  trans-89.598.1179.1-56.70000110
547T37.7Very low36.4Very low114 Ų114134.9 Ų134.970%0.69978%0.784SS**  trans-123.298.8172.9-56.70000110.4C545C545-T547 PolarHBondContact O-N 3.29Å
548T35.3Very low38.2Very low122 Ų122135.1 Ų135.175%0.74878%0.778SS**  trans4.6112.5159.752.20000117.6N550T548-N550 PolarHBondContact O-N 3.5Å
549S33.2Very low40.7Very low104 Ų104128.3 Ų128.373%0.72776%0.759SS**  trans-68.1120.8167.651.40000112.2
550N37.7Very low43.1Very low150 Ų150131.1 Ų131.180%0.80276%0.759SS**  trans-133.384.5160.8-88.6-33.3000108.1T548T548-N550 PolarHBondContact O-N 3.5Å
551I39.2Very low45.8Very low164 Ų164127.6 Ų127.684%0.84174%0.741SS**  trans-104.799.3-179.7-59178.3000108.3
552I42.3Very low48.5Very low144 Ų144126.9 Ų126.974%0.73873%0.725SS**  trans-115.8143.1169.5-61177.6000107.8S554I552-S554 PolarHBondContact O-N 2.61Å
553N37.1Very low50.8Low162 Ų162125.1 Ų125.187%0.86671%0.711SS**  trans-55123.8-166.2-48.9-81.5000115
554S36.7Very low53Low104 Ų104122.1 Ų122.173%0.72769%0.688SS**  trans-160.6158.2150.448.60000109.6I552I552-S554 PolarHBondContact O-N 2.61Å
555D37.6Very low55.8Low152 Ų152118.7 Ų118.781%0.81367%0.67SS**  trans-59.7140.1176.4-61.7-83.8000111.1S557D555-S557 PolarHBondContact O-N 3.44Å
556L52.5Low58.8Low175 Ų175116.8 Ų116.892%0.91665%0.651SS**  trans-73.971.2-177.4-75.187.8000112.1L558L556-L558 PolarHBondContact O-N 3.19Å
557S51.2Low61.8Low102 Ų102119 Ų11971%0.71364%0.642SS**  trans-67.995.9157.7620000108.5D555 T559D555-S557 PolarHBondContact O-N 3.44Å; S557-T559 PolarHBondContact O-N 3.37Å; S557-T559 VanDerWaalsContact O-N 3.09Å
558L70.8Confident64.4Low100 Ų100121.1 Ų121.152%0.52464%0.637SS.*  trans-48.4119.3166.6-81.3164.7000108.7L556 E562 L563L556-L558 PolarHBondContact O-N 3.19Å; L558-E562 HydrophobicContact CD2-CB 4.02Å; L558-L563 HydrophobicContact CB-CD1 4.24Å; L558-L563 HydrophobicContact CB-CG 4.15Å; L558-L563 HydrophobicContact CD1-CD2 4.49Å
559T83.2Confident67.1Low63 Ų63121.8 Ų121.839%0.38763%0.631SS.*  trans-62.6152176.964.60000109.1S557 S561 E562 L563S557-T559 PolarHBondContact O-N 3.37Å; S557-T559 VanDerWaalsContact O-N 3.09Å; T559-S561 WeakPolarHBondContact CB-OG 3.43Å; T559-S561 PolarHBondContact O-N 2.72Å; T559-S561 VanDerWaalsContact O-N 3.14Å; T559-S561 PolarHBondContact OG1-OG 3.36Å; T559-E562 VanDerWaalsContact CB-OE2 3.25Å; T559-E562 WeakPolarHBondContact CB-OE2 3.18Å; T559-E562 WeakPolarHBondContact CG2-OE2 3.48Å; T559-E562 PolarHBondContact N-OE2 2.99Å; T559-E562 PolarHBondContact O-N 3.03Å; T559-E562 VanDerWaalsContact OG1-CD 3.29Å; T559-E562 VanDerWaalsContact OG1-CG 3.31Å; T559-E562 WeakPolarHBondContact OG1-CG 3.38Å; T559-E562 PolarHBondContact OG1-N 3.17Å; T559-E562 PolarHBondContact OG1-OE2 3.33Å; T559-L563 PolarHBondContact O-N 3.33Å
560R81.8Confident70Confident204 Ų204121.5 Ų121.577%0.7762%0.621SS**Hα-helixtrans-54.6-36176.3-176.3176.8172.9-178.51.1111.8L563 D564R560-L563 PolarHBondContact O-N 2.97Å; R560-D564 IonicContact NE-OD2 2.85Å; R560-D564 WeakPolarHBondContact O-CB 3.23Å; R560-D564 PolarHBondContact O-N 3.41Å
561S87.3Confident72.7Confident73 Ų73116.2 Ų116.251%0.5159%0.592SS.*Hα-helixtrans-59.8-42.1172260000114T559 N565T559-S561 WeakPolarHBondContact CB-OG 3.43Å; T559-S561 PolarHBondContact O-N 2.72Å; T559-S561 VanDerWaalsContact O-N 3.14Å; T559-S561 PolarHBondContact OG1-OG 3.36Å; S561-N565 WeakPolarHBondContact O-CB 3.18Å; S561-N565 PolarHBondContact O-N 3.03Å; S561-N565 PolarHBondContact O-ND2 3.34Å; S561-N565 PolarHBondContact O-OD1 3.21Å
562E86.6Confident75.2Confident92 Ų92113 Ų11343%0.4358%0.579SS.*Hα-helixtrans-70.9-38.3176.8-71.6158.9126.700111.5L558 T559 N565 L566L558-E562 HydrophobicContact CD2-CB 4.02Å; T559-E562 VanDerWaalsContact CB-OE2 3.25Å; T559-E562 WeakPolarHBondContact CB-OE2 3.18Å; T559-E562 WeakPolarHBondContact CG2-OE2 3.48Å; T559-E562 PolarHBondContact N-OE2 2.99Å; T559-E562 PolarHBondContact O-N 3.03Å; T559-E562 VanDerWaalsContact OG1-CD 3.29Å; T559-E562 VanDerWaalsContact OG1-CG 3.31Å; T559-E562 WeakPolarHBondContact OG1-CG 3.38Å; T559-E562 PolarHBondContact OG1-N 3.17Å; T559-E562 PolarHBondContact OG1-OE2 3.33Å; E562-N565 WeakPolarHBondContact O-CB 3.35Å; E562-N565 PolarHBondContact O-N 3.02Å; E562-L566 WeakPolarHBondContact O-CB 3.28Å; E562-L566 PolarHBondContact O-N 3.09Å
563L85Confident77.5Confident91 Ų91110.2 Ų110.248%0.47656%0.563SS.*Hα-helixtrans-62.6-44.2172.1-85.3161.6000112.3L558 T559 R560 N565 R567L558-L563 HydrophobicContact CB-CD1 4.24Å; L558-L563 HydrophobicContact CB-CG 4.15Å; L558-L563 HydrophobicContact CD1-CD2 4.49Å; T559-L563 PolarHBondContact O-N 3.33Å; R560-L563 PolarHBondContact O-N 2.97Å; L563-N565 VanDerWaalsContact C-N 3.3Å; L563-N565 PolarHBondContact O-N 3.47Å; L563-R567 WeakPolarHBondContact O-CB 3.18Å; L563-R567 PolarHBondContact O-N 2.9Å
564D87.4Confident80.2Confident61 Ų61106.1 Ų106.133%0.32654%0.541SS..Hα-helixtrans-72.3-20.4175.8-77.1-40.9000112.8R560 R568R560-D564 IonicContact NE-OD2 2.85Å; R560-D564 WeakPolarHBondContact O-CB 3.23Å; R560-D564 PolarHBondContact O-N 3.41Å; D564-R568 VanDerWaalsContact O-CG 3.31Å; D564-R568 WeakPolarHBondContact O-CG 3.32Å; D564-R568 PolarHBondContact O-N 3.46Å; D564-R568 PolarHBondContact O-NE 2.98Å
565N90.9Very high83Confident82 Ų82108.6 Ų108.644%0.43954%0.535SS..Hα-helixtrans-74.7-55168.3-73.5-13.8000111.3S561 E562 L563 R567 R568 E569S561-N565 WeakPolarHBondContact O-CB 3.18Å; S561-N565 PolarHBondContact O-N 3.03Å; S561-N565 PolarHBondContact O-ND2 3.34Å; S561-N565 PolarHBondContact O-OD1 3.21Å; E562-N565 WeakPolarHBondContact O-CB 3.35Å; E562-N565 PolarHBondContact O-N 3.02Å; L563-N565 VanDerWaalsContact C-N 3.3Å; L563-N565 PolarHBondContact O-N 3.47Å; N565-R567 VanDerWaalsContact C-N 3.26Å; N565-R567 PolarHBondContact O-N 3.41Å; N565-R568 WeakPolarHBondContact O-CA 3.15Å; N565-R568 WeakPolarHBondContact O-CB 3.38Å; N565-R568 PolarHBondContact O-N 3.3Å; N565-R568 PolarHBondContact OD1-NH2 2.76Å; N565-E569 PolarHBondContact O-N 3.26Å
566L91.8Very high85.7Confident78 Ų78107.2 Ų107.241%0.40852%0.521SS..Hα-helixtrans-57.2-40.4178.6178.461.4000111.5E562 R568 E569 I570E562-L566 WeakPolarHBondContact O-CB 3.28Å; E562-L566 PolarHBondContact O-N 3.09Å; L566-R568 VanDerWaalsContact C-N 3.32Å; L566-R568 PolarHBondContact O-N 3.33Å; L566-E569 PolarHBondContact O-N 2.85Å; L566-I570 HydrophobicContact CD1-CD1 3.93Å; L566-I570 HydrophobicContact CD1-CG1 4.25Å; L566-I570 HydrophobicContact CG-CD1 3.87Å; L566-I570 VanDerWaalsContact O-CG1 3.3Å; L566-I570 WeakPolarHBondContact O-CG1 3.18Å; L566-I570 PolarHBondContact O-N 3.09Å
567R91.6Very high87.5Confident162 Ų162104.7 Ų104.761%0.61151%0.505SS*.Hα-helixtrans-59.4-40173.2-177.7179.6-179.9-166.31.7112.4L563 N565 I571L563-R567 WeakPolarHBondContact O-CB 3.18Å; L563-R567 PolarHBondContact O-N 2.9Å; N565-R567 VanDerWaalsContact C-N 3.26Å; N565-R567 PolarHBondContact O-N 3.41Å; R567-I571 HydrophobicContact CG-CD1 3.9Å; R567-I571 WeakPolarHBondContact O-CB 3.45Å; R567-I571 VanDerWaalsContact O-CD1 3.29Å; R567-I571 WeakPolarHBondContact O-CD1 3.18Å; R567-I571 WeakPolarHBondContact O-CG1 3.29Å; R567-I571 PolarHBondContact O-N 2.94Å; R567-I571 VanDerWaalsContact O-N 3.17Å
568R92.8Very high89.5Confident159 Ų159104.2 Ų104.260%0.650%0.497SS*.Hα-helixtrans-70.1-41.9177.5-76.8-178-73-177.41.4111.7D564 N565 L566 I571 V572D564-R568 VanDerWaalsContact O-CG 3.31Å; D564-R568 WeakPolarHBondContact O-CG 3.32Å; D564-R568 PolarHBondContact O-N 3.46Å; D564-R568 PolarHBondContact O-NE 2.98Å; N565-R568 WeakPolarHBondContact O-CA 3.15Å; N565-R568 WeakPolarHBondContact O-CB 3.38Å; N565-R568 PolarHBondContact O-N 3.3Å; N565-R568 PolarHBondContact OD1-NH2 2.76Å; L566-R568 VanDerWaalsContact C-N 3.32Å; L566-R568 PolarHBondContact O-N 3.33Å; R568-I571 PolarHBondContact O-N 3.28Å; R568-V572 WeakPolarHBondContact O-CG2 3.43Å; R568-V572 PolarHBondContact O-N 2.7Å
569E93.5Very high90.6Very high136 Ų136103.1 Ų103.164%0.63649%0.49SS*.Hα-helixtrans-59.3-51.2176.2-172.3177.317400111.8N565 L566 I571 V572 E573N565-E569 PolarHBondContact O-N 3.26Å; L566-E569 PolarHBondContact O-N 2.85Å; E569-I571 VanDerWaalsContact C-N 3.31Å; E569-I571 PolarHBondContact O-N 3.29Å; E569-V572 PolarHBondContact O-N 3.31Å; E569-V572 VanDerWaalsContact O-N 3.09Å; E569-E573 PolarHBondContact O-N 3.42Å
570I93Very high91.2Very high98 Ų98105.5 Ų105.550%0.50350%0.5SS..Hα-helixtrans-59-40.7177.1-67.6167.5000111.5L566 V572 L574L566-I570 HydrophobicContact CD1-CD1 3.93Å; L566-I570 HydrophobicContact CD1-CG1 4.25Å; L566-I570 HydrophobicContact CG-CD1 3.87Å; L566-I570 VanDerWaalsContact O-CG1 3.3Å; L566-I570 WeakPolarHBondContact O-CG1 3.18Å; L566-I570 PolarHBondContact O-N 3.09Å; I570-V572 VanDerWaalsContact C-N 3.34Å; I570-V572 PolarHBondContact O-N 2.79Å; I570-L574 WeakPolarHBondContact O-CB 3.5Å; I570-L574 PolarHBondContact O-N 2.61Å
571I93.5Very high91.8Very high39 Ų3997.8 Ų97.820%0.248%0.479CS..Hα-helixtrans-67.5-33177.8-72.1166.3000112L150 R567 R568 E569 R575L150-I571 HydrophobicContact CD1-CD1 4.32Å; L150-I571 HydrophobicContact CD1-CG1 4.41Å; L150-I571 HydrophobicContact CD2-CD1 4.26Å; L150-I571 HydrophobicContact CD2-CG2 3.77Å; R567-I571 HydrophobicContact CG-CD1 3.9Å; R567-I571 WeakPolarHBondContact O-CB 3.45Å; R567-I571 VanDerWaalsContact O-CD1 3.29Å; R567-I571 WeakPolarHBondContact O-CD1 3.18Å; R567-I571 WeakPolarHBondContact O-CG1 3.29Å; R567-I571 PolarHBondContact O-N 2.94Å; R567-I571 VanDerWaalsContact O-N 3.17Å; R568-I571 PolarHBondContact O-N 3.28Å; E569-I571 VanDerWaalsContact C-N 3.31Å; E569-I571 PolarHBondContact O-N 3.29Å; I571-R575 WeakPolarHBondContact O-CB 3.34Å; I571-R575 WeakPolarHBondContact O-CD 3.46Å; I571-R575 WeakPolarHBondContact O-CG 3.42Å; I571-R575 PolarHBondContact O-N 3.39Å
572V92.1Very high92.2Very high95 Ų9599.8 Ų99.858%0.57648%0.479SS*.Hα-helixtrans-69.4-48.3176.4167.60000110.9R568 E569 I570 R575 K576R568-V572 WeakPolarHBondContact O-CG2 3.43Å; R568-V572 PolarHBondContact O-N 2.7Å; E569-V572 PolarHBondContact O-N 3.31Å; E569-V572 VanDerWaalsContact O-N 3.09Å; I570-V572 VanDerWaalsContact C-N 3.34Å; I570-V572 PolarHBondContact O-N 2.79Å; V572-R575 PolarHBondContact O-N 3.47Å; V572-K576 PolarHBondContact O-N 3.17Å
573E90.3Very high92.6Very high86 Ų8699.3 Ų99.340%0.40248%0.479SS..Hα-helixtrans-69.7-39.2-178-163.963.5-165.300111.6E569 R575 K576 E577E569-E573 PolarHBondContact O-N 3.42Å; E573-R575 VanDerWaalsContact C-N 3.33Å; E573-R575 PolarHBondContact O-N 3.2Å; E573-K576 WeakPolarHBondContact O-CB 3.38Å; E573-K576 PolarHBondContact O-N 3.21Å; E573-K576 VanDerWaalsContact O-N 3.08Å; E573-K576 IonicContact OE1-NZ 3.22Å; E573-K576 PolarHBondContact OE1-NZ 2.86Å; E573-K576 WeakPolarHBondContact OE2-CD 3.32Å; E573-K576 IonicContact OE2-NZ 2.86Å; E573-K576 PolarHBondContact OE2-NZ 2.64Å; E573-E577 PolarHBondContact O-N 2.88Å
574L95.7Very high93.1Very high76 Ų76100.1 Ų100.140%0.39848%0.481SS..Hα-helixtrans-59.6-40.3173.3-178.665.9000112.5I570 K576 E577 V578I570-L574 WeakPolarHBondContact O-CB 3.5Å; I570-L574 PolarHBondContact O-N 2.61Å; L574-K576 VanDerWaalsContact C-N 3.28Å; L574-K576 PolarHBondContact O-N 3.22Å; L574-E577 PolarHBondContact O-N 3.44Å; L574-V578 HydrophobicContact CD1-CG2 4.37Å; L574-V578 WeakPolarHBondContact O-CB 3.25Å; L574-V578 VanDerWaalsContact O-CG2 3.28Å; L574-V578 WeakPolarHBondContact O-CG2 3.31Å; L574-V578 PolarHBondContact O-N 3.41Å
575R93.9Very high93.4Very high156 Ų156102.2 Ų102.259%0.58949%0.491SS*.Hα-helixtrans-63.4-35.5175.5-78.1170.4179.3-137.2-1.3112.1I571 V572 E573 Q579I571-R575 WeakPolarHBondContact O-CB 3.34Å; I571-R575 WeakPolarHBondContact O-CD 3.46Å; I571-R575 WeakPolarHBondContact O-CG 3.42Å; I571-R575 PolarHBondContact O-N 3.39Å; V572-R575 PolarHBondContact O-N 3.47Å; E573-R575 VanDerWaalsContact C-N 3.33Å; E573-R575 PolarHBondContact O-N 3.2Å; R575-Q579 WeakPolarHBondContact O-CB 3.26Å; R575-Q579 PolarHBondContact O-N 2.74Å
576K94.4Very high93.5Very high123 Ų123102.9 Ų102.954%0.53549%0.492SS..Hα-helixtrans-71.3-43.7178.2171.4178.6159-1370111.5V572 E573 L574 Q579 L580V572-K576 PolarHBondContact O-N 3.17Å; E573-K576 WeakPolarHBondContact O-CB 3.38Å; E573-K576 PolarHBondContact O-N 3.21Å; E573-K576 VanDerWaalsContact O-N 3.08Å; E573-K576 IonicContact OE1-NZ 3.22Å; E573-K576 PolarHBondContact OE1-NZ 2.86Å; E573-K576 WeakPolarHBondContact OE2-CD 3.32Å; E573-K576 IonicContact OE2-NZ 2.86Å; E573-K576 PolarHBondContact OE2-NZ 2.64Å; L574-K576 VanDerWaalsContact C-N 3.28Å; L574-K576 PolarHBondContact O-N 3.22Å; K576-Q579 PolarHBondContact O-N 3.24Å; K576-L580 WeakPolarHBondContact O-CB 3.07Å; K576-L580 PolarHBondContact O-N 2.66Å
577E89.9Confident93.4Very high122 Ų122102.7 Ų102.757%0.5749%0.492SS*.Hα-helixtrans-61.7-47.7172.4-70.1-169.1144.400112.1E573 L574 Q579 L580 A581E573-E577 PolarHBondContact O-N 2.88Å; L574-E577 PolarHBondContact O-N 3.44Å; E577-Q579 VanDerWaalsContact C-N 3.32Å; E577-Q579 PolarHBondContact O-N 3.38Å; E577-L580 WeakPolarHBondContact O-CB 3.29Å; E577-L580 PolarHBondContact O-N 2.78Å; E577-L580 VanDerWaalsContact O-N 3.1Å; E577-A581 PolarHBondContact O-N 3.25Å
578V94.7Very high93.3Very high92 Ų9298.1 Ų98.156%0.55848%0.484SS*.Hα-helixtrans-60.8-39.6178.5168.80000111.8L574 K582L574-V578 HydrophobicContact CD1-CG2 4.37Å; L574-V578 WeakPolarHBondContact O-CB 3.25Å; L574-V578 VanDerWaalsContact O-CG2 3.28Å; L574-V578 WeakPolarHBondContact O-CG2 3.31Å; L574-V578 PolarHBondContact O-N 3.41Å; V578-K582 VanDerWaalsContact O-CB 3.27Å; V578-K582 WeakPolarHBondContact O-CB 3.23Å; V578-K582 PolarHBondContact O-N 3.34Å
579Q93.8Very high93.3Very high77 Ų7794.5 Ų94.536%0.3648%0.475SS..Hα-helixtrans-74.1-25.4176.9-17551.580.600112.7R575 K576 E577 N583R575-Q579 WeakPolarHBondContact O-CB 3.26Å; R575-Q579 PolarHBondContact O-N 2.74Å; K576-Q579 PolarHBondContact O-N 3.24Å; E577-Q579 VanDerWaalsContact C-N 3.32Å; E577-Q579 PolarHBondContact O-N 3.38Å; Q579-N583 PolarHBondContact NE2-OD1 2.93Å; Q579-N583 PolarHBondContact O-N 2.88Å; Q579-N583 PolarHBondContact O-ND2 2.9Å; Q579-N583 PolarHBondContact O-OD1 3.22Å
580L95Very high93.1Very high114 Ų11493.6 Ų93.660%0.59747%0.469SS*.Hα-helixtrans-70.6-50.8170.6-170.6155.6000110.8K576 E577 K582 N583 E584K576-L580 WeakPolarHBondContact O-CB 3.07Å; K576-L580 PolarHBondContact O-N 2.66Å; E577-L580 WeakPolarHBondContact O-CB 3.29Å; E577-L580 PolarHBondContact O-N 2.78Å; E577-L580 VanDerWaalsContact O-N 3.1Å; L580-K582 VanDerWaalsContact C-N 3.29Å; L580-K582 PolarHBondContact O-N 3.28Å; L580-N583 WeakPolarHBondContact O-CA 3.3Å; L580-N583 WeakPolarHBondContact O-CB 3.32Å; L580-N583 PolarHBondContact O-N 2.71Å; L580-E584 PolarHBondContact O-N 2.82Å
581A95Very high92.8Very high41 Ų4194.6 Ų94.634%0.33948%0.475SS..Hα-helixtrans-59.9-38.3177.100000112.4E577 N583 E584 I585E577-A581 PolarHBondContact O-N 3.25Å; A581-N583 VanDerWaalsContact C-N 3.32Å; A581-N583 PolarHBondContact O-N 3.26Å; A581-E584 PolarHBondContact O-N 2.94Å; A581-I585 WeakPolarHBondContact O-CB 3.48Å; A581-I585 VanDerWaalsContact O-CG1 3.29Å; A581-I585 WeakPolarHBondContact O-CG1 3.31Å; A581-I585 PolarHBondContact O-N 3.46Å
582K95.8Very high92.2Very high116 Ų116102.2 Ų102.250%0.50450%0.503SS..Hα-helixtrans-60.2-38.7171.7171.4-179.9158.9-160.50112.7V578 L580 M586V578-K582 VanDerWaalsContact O-CB 3.27Å; V578-K582 WeakPolarHBondContact O-CB 3.23Å; V578-K582 PolarHBondContact O-N 3.34Å; L580-K582 VanDerWaalsContact C-N 3.29Å; L580-K582 PolarHBondContact O-N 3.28Å; K582-M586 WeakPolarHBondContact O-CB 3.46Å; K582-M586 VanDerWaalsContact O-CG 3.24Å; K582-M586 WeakPolarHBondContact O-CG 3.37Å; K582-M586 PolarHBondContact O-N 3.34Å; K582-M586 VanDerWaalsContact O-N 3.09Å
583N94.9Very high91.6Very high81 Ų81106.1 Ų106.143%0.43351%0.512SS..Hα-helixtrans-70.1-45.3176.7-71.4-11.4000110.9Q579 L580 A581 I585 M586 D587Q579-N583 PolarHBondContact NE2-OD1 2.93Å; Q579-N583 PolarHBondContact O-N 2.88Å; Q579-N583 PolarHBondContact O-ND2 2.9Å; Q579-N583 PolarHBondContact O-OD1 3.22Å; L580-N583 WeakPolarHBondContact O-CA 3.3Å; L580-N583 WeakPolarHBondContact O-CB 3.32Å; L580-N583 PolarHBondContact O-N 2.71Å; A581-N583 VanDerWaalsContact C-N 3.32Å; A581-N583 PolarHBondContact O-N 3.26Å; N583-I585 PolarHBondContact O-N 3.36Å; N583-M586 WeakPolarHBondContact O-CB 3.4Å; N583-M586 PolarHBondContact O-N 3.2Å; N583-M586 VanDerWaalsContact O-N 3.14Å; N583-D587 PolarHBondContact O-N 3.01Å
584E94.2Very high90.7Very high109 Ų109106.2 Ų106.251%0.50953%0.527SS..Hα-helixtrans-56.1-49.3176.2-175.2174.3-161.400111.6L580 A581 M586 D587 C588L580-E584 PolarHBondContact O-N 2.82Å; A581-E584 PolarHBondContact O-N 2.94Å; E584-M586 PolarHBondContact O-N 3.07Å; E584-D587 PolarHBondContact O-N 3.36Å; E584-C588 PolarHBondContact O-N 3.38Å; E584-C588 PolarHBondContact O-SG 3.22Å; E584-C588 VanDerWaalsContact O-SG 3.35Å
585I94.8Very high88.9Confident105 Ų105111.4 Ų111.454%0.53856%0.562SS.*Hα-helixtrans-60.1-43.7175.3-68.2165.3000111.4A581 N583 D587 C588 I589A581-I585 WeakPolarHBondContact O-CB 3.48Å; A581-I585 VanDerWaalsContact O-CG1 3.29Å; A581-I585 WeakPolarHBondContact O-CG1 3.31Å; A581-I585 PolarHBondContact O-N 3.46Å; N583-I585 PolarHBondContact O-N 3.36Å; I585-D587 VanDerWaalsContact C-N 3.32Å; I585-D587 PolarHBondContact O-N 3.14Å; I585-C588 PolarHBondContact O-N 3.44Å; I585-I589 HydrophobicContact CG2-CD1 3.82Å; I585-I589 VanDerWaalsContact O-CG1 3.26Å; I585-I589 WeakPolarHBondContact O-CG1 3.43Å; I585-I589 PolarHBondContact O-N 3.36Å
586M92.4Very high88.7Confident95 Ų95109.2 Ų109.247%0.46856%0.56SS.*Hα-helixtrans-63-36.3176.8-80.2-65.4-56.300112.7K582 N583 E584 I589 K590K582-M586 WeakPolarHBondContact O-CB 3.46Å; K582-M586 VanDerWaalsContact O-CG 3.24Å; K582-M586 WeakPolarHBondContact O-CG 3.37Å; K582-M586 PolarHBondContact O-N 3.34Å; K582-M586 VanDerWaalsContact O-N 3.09Å; N583-M586 WeakPolarHBondContact O-CB 3.4Å; N583-M586 PolarHBondContact O-N 3.2Å; N583-M586 VanDerWaalsContact O-N 3.14Å; E584-M586 PolarHBondContact O-N 3.07Å; M586-I589 PolarHBondContact O-N 3.29Å; M586-K590 VanDerWaalsContact O-CG 3.29Å; M586-K590 WeakPolarHBondContact O-CG 3.4Å; M586-K590 PolarHBondContact O-N 2.96Å
587D90.9Very high88.4Confident75 Ų75108.4 Ų108.440%0.40156%0.562SS.*Hα-helixtrans-77.2-36.1179.2-69.4-25000111.9N583 E584 I585 I589 K590 L591N583-D587 PolarHBondContact O-N 3.01Å; E584-D587 PolarHBondContact O-N 3.36Å; I585-D587 VanDerWaalsContact C-N 3.32Å; I585-D587 PolarHBondContact O-N 3.14Å; D587-I589 VanDerWaalsContact C-N 3.33Å; D587-I589 PolarHBondContact O-N 3.37Å; D587-K590 PolarHBondContact O-N 3.02Å; D587-K590 WeakPolarHBondContact OD1-CD 3.43Å; D587-K590 WeakPolarHBondContact OD1-CE 3.33Å; D587-K590 IonicContact OD1-NZ 2.81Å; D587-K590 PolarHBondContact OD1-NZ 3Å; D587-L591 PolarHBondContact O-N 3.43Å
588C89.5Confident88.3Confident66 Ų66107.7 Ų107.745%0.44656%0.561SS.*Hα-helixtrans-58.9-42.4166.7-69.70000112.1E584 I585 L591 Y592E584-C588 PolarHBondContact O-N 3.38Å; E584-C588 PolarHBondContact O-SG 3.22Å; E584-C588 VanDerWaalsContact O-SG 3.35Å; I585-C588 PolarHBondContact O-N 3.44Å; C588-L591 PolarHBondContact O-N 3.26Å; C588-Y592 WeakPolarHBondContact O-CB 3.45Å; C588-Y592 PolarHBondContact O-N 3.44Å
589I91.7Very high87.9Confident82 Ų82108.6 Ų108.642%0.42156%0.561SS.*Hα-helixtrans-67.3-34.9177-69.6165.7000111.8I585 M586 D587 K593I585-I589 HydrophobicContact CG2-CD1 3.82Å; I585-I589 VanDerWaalsContact O-CG1 3.26Å; I585-I589 WeakPolarHBondContact O-CG1 3.43Å; I585-I589 PolarHBondContact O-N 3.36Å; M586-I589 PolarHBondContact O-N 3.29Å; D587-I589 VanDerWaalsContact C-N 3.33Å; D587-I589 PolarHBondContact O-N 3.37Å; I589-K593 WeakPolarHBondContact O-CG 3.28Å; I589-K593 PolarHBondContact O-N 2.81Å
590K90.2Very high87.6Confident118 Ų118110.6 Ų110.651%0.51357%0.574SS.*Hα-helixtrans-65.7-45.4172.8-70165.7-157.3166.50111.3M586 D587 K593 A594M586-K590 VanDerWaalsContact O-CG 3.29Å; M586-K590 WeakPolarHBondContact O-CG 3.4Å; M586-K590 PolarHBondContact O-N 2.96Å; D587-K590 PolarHBondContact O-N 3.02Å; D587-K590 WeakPolarHBondContact OD1-CD 3.43Å; D587-K590 WeakPolarHBondContact OD1-CE 3.33Å; D587-K590 IonicContact OD1-NZ 2.81Å; D587-K590 PolarHBondContact OD1-NZ 3Å; K590-K593 CarbonylContact O-C 3.59Å; K590-K593 PolarHBondContact O-N 2.65Å; K590-K593 VanDerWaalsContact O-N 3.08Å; K590-A594 PolarHBondContact O-N 3.16Å; K590-A594 VanDerWaalsContact O-N 3.17Å
591L85.6Confident87.1Confident118 Ų118110.3 Ų110.362%0.61857%0.573SS**Hα-helixtrans-59.8-45.8176.3-80.4160.6000111.5D587 C588 K593 A594D587-L591 PolarHBondContact O-N 3.43Å; C588-L591 PolarHBondContact O-N 3.26Å; L591-K593 PolarHBondContact O-N 3.42Å; L591-K593 VanDerWaalsContact O-N 3.12Å; L591-A594 PolarHBondContact O-N 3.48Å
592Y81.9Confident86.5Confident200 Ų200115.3 Ų115.378%0.78459%0.589SS**THydrogen-bonded Turntrans-67.6-3.8174.8-98.8-81.8000115.3C588C588-Y592 WeakPolarHBondContact O-CB 3.45Å; C588-Y592 PolarHBondContact O-N 3.44Å
593K79.5Confident85.8Confident176 Ų176115.2 Ų115.277%0.76560%0.596SS**THydrogen-bonded Turntrans-113.43171.6-73.2-170.9174.3-167.60113.4I589 K590 L591I589-K593 WeakPolarHBondContact O-CG 3.28Å; I589-K593 PolarHBondContact O-N 2.81Å; K590-K593 CarbonylContact O-C 3.59Å; K590-K593 PolarHBondContact O-N 2.65Å; K590-K593 VanDerWaalsContact O-N 3.08Å; L591-K593 PolarHBondContact O-N 3.42Å; L591-K593 VanDerWaalsContact O-N 3.12Å
594A71.2Confident85Confident88 Ų88118.1 Ų118.173%0.72761%0.609SS**  trans-110.15175.700000112.4K590 L591K590-A594 PolarHBondContact O-N 3.16Å; K590-A594 VanDerWaalsContact O-N 3.17Å; L591-A594 PolarHBondContact O-N 3.48Å
595V58.4Low84.2Confident185 Ų185118.9 Ų118.9100%1.12162%0.618SS**  trans-1180171-178.30000107.4

Retrieved 595 of 595 residues in 316.4 ms (Link to these results)

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