A0A077YYF0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YYF0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 445 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M86.3Confident94.1Very high129 Ų12925.2 Ų25.264%0.63514%0.137SC*.  0142.80-72.4-166.9-162.400108.7F3 A14 L16M1-F3 HydrophobicContact CB-CE2 3.91Å; M1-F3 HydrophobicContact CB-CZ 4.33Å; M1-A14 PolarHBondContact N-O 3.11Å; M1-A14 PolarHBondContact O-N 3.14Å; M1-L16 HydrophobicContact CB-CD1 4.2Å; M1-L16 HydrophobicContact CE-CD1 3.45Å; M1-L16 VanDerWaalsContact CE-CD1 3.45Å; M1-L16 HydrophobicContact CG-CD1 3.78Å; M1-L16 HydrophobicContact SD-CD1 3.29Å; M1-L16 WeakPolarHBondContact SD-CD1 3.45Å
2L90.5Very high93.9Very high70 Ų7023.1 Ų23.137%0.36613%0.126SC..EExtended strand (participates in β ladder)trans-104.2123.9178.2179.870.4000108V4 E13 H99L2-V4 HydrophobicContact CD1-CG2 4.33Å; L2-V4 HydrophobicContact CD2-CG2 3.84Å; L2-V4 HydrophobicContact CG-CG2 3.7Å; L2-E13 HydrophobicContact CD1-CG 3.57Å; L2-H99 WeakPolarHBondContact O-CA 3.32Å
3F92.4Very high93.5Very high4 Ų431.5 Ų31.52%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-107.6132.6172.1-62.4-93.3000108.3M1 S11 V12 A14 Y20 L43 V93 M97 L98 H99M1-F3 HydrophobicContact CB-CE2 3.91Å; M1-F3 HydrophobicContact CB-CZ 4.33Å; F3-S11 CarbonylContact O-C 3.59Å; F3-S11 VanDerWaalsContact O-CA 3.29Å; F3-S11 WeakPolarHBondContact O-CA 3.5Å; F3-V12 HydrophobicContact CB-CB 4.27Å; F3-V12 PolarHBondContact N-O 3.19Å; F3-V12 PolarHBondContact O-N 3.28Å; F3-A14 HydrophobicContact CD2-CB 4.26Å; F3-A14 HydrophobicContact CE2-CB 3.99Å; F3-Y20 HydrophobicContact CE1-CD2 4.46Å; F3-Y20 HydrophobicContact CE1-CE2 4.14Å; F3-Y20 HydrophobicContact CZ-CD2 4.19Å; F3-Y20 HydrophobicContact CZ-CE2 4.26Å; F3-L43 HydrophobicContact CE1-CD1 4.28Å; F3-L43 HydrophobicContact CE2-CD1 4.17Å; F3-L43 HydrophobicContact CE2-CD2 3.74Å; F3-L43 HydrophobicContact CZ-CD1 3.94Å; F3-L43 HydrophobicContact CZ-CD2 3.81Å; F3-V93 HydrophobicContact CB-CG1 3.98Å; F3-V93 HydrophobicContact CD1-CG1 4.16Å; F3-V93 HydrophobicContact CG-CG1 4.04Å; F3-M97 VanDerWaalsContact C-CE 3.48Å; F3-M97 HydrophobicContact CB-CB 4.22Å; F3-M97 HydrophobicContact CB-CE 4.03Å; F3-M97 HydrophobicContact CB-SD 4.35Å; F3-M97 WeakPolarHBondContact O-CE 3.45Å; F3-L98 CarbonylContact C-O 3.4Å; F3-L98 WeakPolarHBondContact CA-O 3.43Å; F3-H99 HydrophobicContact CD1-CB 3.75Å; F3-H99 HydrophobicContact CE1-CB 3.77Å
4V95Very high92.7Very high3 Ų329.5 Ų29.52%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-132.6137-177.6-1670000109.9L2 L8 V10 M97 L98 I104L2-V4 HydrophobicContact CD1-CG2 4.33Å; L2-V4 HydrophobicContact CD2-CG2 3.84Å; L2-V4 HydrophobicContact CG-CG2 3.7Å; V4-L8 HydrophobicContact CB-CD2 4.36Å; V4-L8 HydrophobicContact CG1-CB 4.2Å; V4-L8 HydrophobicContact CG1-CD2 3.56Å; V4-L8 HydrophobicContact CG1-CG 4.49Å; V4-V10 WeakPolarHBondContact CA-O 3.37Å; V4-M97 VanDerWaalsContact C-CE 3.42Å; V4-M97 CarbonylContact O-C 3.58Å; V4-L98 PolarHBondContact N-O 3.3Å; V4-L98 PolarHBondContact O-N 3.3Å; V4-I104 HydrophobicContact CB-CD1 4.21Å; V4-I104 HydrophobicContact CB-CG1 4.44Å; V4-I104 HydrophobicContact CG2-CD1 3.71Å; V4-I104 HydrophobicContact CG2-CG1 4.36Å
5C95.6Very high91.9Very high0 Ų033.4 Ų33.40%017%0.174CC..  trans-66.6158.6174.669.70000111C7 L8 N9 V10 M97C5-C7 PolarHBondContact O-N 3.49Å; C5-C7 PolarHBondContact SG-SG 3.02Å; C5-L8 PolarHBondContact O-N 3.42Å; C5-N9 PolarHBondContact SG-N 3.2Å; C5-V10 HydrophobicContact CB-CB 4.42Å; C5-V10 PolarHBondContact N-O 3.44Å; C5-V10 PolarHBondContact SG-N 3.18Å; C5-M97 HydrophobicContact CB-CE 4.43Å; C5-M97 VanDerWaalsContact N-CE 3.32Å
6P95.9Very high90.6Very high46 Ų4634.1 Ų34.130%0.29918%0.178SC..THydrogen-bonded Turntrans-55.9-28.4-178.2-28.835.8000115.2L120P6-L120 VanDerWaalsContact O-CD1 3.25Å; P6-L120 WeakPolarHBondContact O-CD1 3.29Å
7C96.6Very high89.2Confident8 Ų837.1 Ų37.15%0.05419%0.194CC..THydrogen-bonded Turntrans-90.13.3176.164.90000115C5 N9 C73 L75 C76 L120C5-C7 PolarHBondContact O-N 3.49Å; C5-C7 PolarHBondContact SG-SG 3.02Å; C7-N9 PolarHBondContact O-N 3.25Å; C7-N9 VanDerWaalsContact O-N 3.12Å; C7-C73 PolarHBondContact SG-SG 3.01Å; C7-L75 HydrophobicContact CB-CB 4.36Å; C7-C76 HydrophobicContact CB-CB 3.94Å; C7-L120 HydrophobicContact CB-CB 4.36Å; C7-L120 PolarHBondContact O-N 3.38Å
8L97.1Very high87.9Confident0 Ų046.6 Ų46.60%023%0.227CC..SBendtrans62.99-178.1-46.4177.2000116.5V4 C5 R55 I104 L107 Q108 Y113 L120V4-L8 HydrophobicContact CB-CD2 4.36Å; V4-L8 HydrophobicContact CG1-CB 4.2Å; V4-L8 HydrophobicContact CG1-CD2 3.56Å; V4-L8 HydrophobicContact CG1-CG 4.49Å; C5-L8 PolarHBondContact O-N 3.42Å; L8-R55 VanDerWaalsContact O-CD 3.28Å; L8-R55 WeakPolarHBondContact O-CD 3.33Å; L8-R55 PolarHBondContact O-NE 3.48Å; L8-R55 PolarHBondContact O-NH1 3.25Å; L8-I104 HydrophobicContact CD2-CG2 4.19Å; L8-L107 HydrophobicContact CD1-CB 4.26Å; L8-L107 HydrophobicContact CD2-CD1 4.24Å; L8-Q108 HydrophobicContact CD1-CG 3.69Å; L8-Y113 HydrophobicContact CD1-CD2 4.02Å; L8-Y113 HydrophobicContact CD1-CE2 3.86Å; L8-L120 HydrophobicContact CD1-CD1 4.37Å; L8-L120 HydrophobicContact CD1-CG 4.34Å; L8-L120 HydrophobicContact CG-CD1 4.26Å; L8-L120 HydrophobicContact CG-CG 4.47Å
9N96Very high86.4Confident0 Ų049.6 Ų49.60%025%0.25CC..SBendtrans-71.8-39.8179.9-175.935.4000113.5C5 C7 A54 R55 L56 L75 V119C5-N9 PolarHBondContact SG-N 3.2Å; C7-N9 PolarHBondContact O-N 3.25Å; C7-N9 VanDerWaalsContact O-N 3.12Å; N9-A54 WeakPolarHBondContact O-CA 3.48Å; N9-R55 PolarHBondContact O-N 3.3Å; N9-L56 WeakPolarHBondContact OD1-CA 3.38Å; N9-L56 VanDerWaalsContact OD1-CB 3.31Å; N9-L56 WeakPolarHBondContact OD1-CB 3.34Å; N9-L56 PolarHBondContact OD1-N 3.44Å; N9-L75 HydrophobicContact CB-CD1 3.88Å; N9-V119 HydrophobicContact CB-CG1 4Å
10V95.1Very high85.3Confident2 Ų249.9 Ų49.91%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-112.3125.5-178.5-175.80000109V4 C5 V12 I60 C73 C80 Y81V4-V10 WeakPolarHBondContact CA-O 3.37Å; C5-V10 HydrophobicContact CB-CB 4.42Å; C5-V10 PolarHBondContact N-O 3.44Å; C5-V10 PolarHBondContact SG-N 3.18Å; V10-V12 HydrophobicContact CG1-CG2 4.48Å; V10-I60 HydrophobicContact CG2-CD1 3.89Å; V10-I60 HydrophobicContact CG2-CG1 4.09Å; V10-C73 HydrophobicContact CG2-CB 4.16Å; V10-C80 HydrophobicContact CB-CB 4.29Å; V10-C80 HydrophobicContact CG1-CB 3.9Å; V10-Y81 HydrophobicContact CG1-CD1 4.11Å; V10-Y81 HydrophobicContact CG1-CE1 3.85Å
11S94.8Very high84.1Confident15 Ų1554 Ų5411%0.10527%0.267CS..EExtended strand (participates in β ladder)trans-123134.7170.558.50000110.9F3 S52 A53F3-S11 CarbonylContact O-C 3.59Å; F3-S11 VanDerWaalsContact O-CA 3.29Å; F3-S11 WeakPolarHBondContact O-CA 3.5Å; S11-S52 CarbonylContact O-C 3.59Å; S11-S52 WeakPolarHBondContact O-CA 3.43Å; S11-A53 PolarHBondContact N-O 3.25Å; S11-A53 VanDerWaalsContact N-O 3.08Å; S11-A53 PolarHBondContact O-N 2.98Å; S11-A53 PolarHBondContact OG-O 3.29Å
12V91.5Very high82.9Confident0 Ų053.8 Ų53.80%026%0.264CS..EExtended strand (participates in β ladder)trans-117.8116.8-179.9172.50000107.8F3 V10 P51 Y81 L91 V93 M97F3-V12 HydrophobicContact CB-CB 4.27Å; F3-V12 PolarHBondContact N-O 3.19Å; F3-V12 PolarHBondContact O-N 3.28Å; V10-V12 HydrophobicContact CG1-CG2 4.48Å; V12-P51 WeakPolarHBondContact CA-O 3.39Å; V12-P51 WeakPolarHBondContact CG1-O 3.44Å; V12-P51 WeakPolarHBondContact CG2-O 3.49Å; V12-Y81 HydrophobicContact CG2-CD1 3.58Å; V12-Y81 HydrophobicContact CG2-CE1 4.28Å; V12-Y81 HydrophobicContact CG2-CG 4.08Å; V12-L91 HydrophobicContact CG1-CD2 3.55Å; V12-V93 HydrophobicContact CG1-CG2 4.08Å; V12-M97 HydrophobicContact CG2-CE 4.11Å; V12-M97 HydrophobicContact CG2-SD 4.43Å
13E89.1Confident81.5Confident133 Ų13354 Ų5462%0.62127%0.269SS*.EExtended strand (participates in β ladder)trans-94.1116.6173.6-73.1179-166.600109.4L2L2-E13 HydrophobicContact CD1-CG 3.57Å
14A82.2Confident80Confident3 Ų358.4 Ų58.43%0.02529%0.292CS..  trans-118.6126.9-179.800000110.6M1 F3 L43 V45M1-A14 PolarHBondContact N-O 3.11Å; M1-A14 PolarHBondContact O-N 3.14Å; F3-A14 HydrophobicContact CD2-CB 4.26Å; F3-A14 HydrophobicContact CE2-CB 3.99Å; A14-L43 HydrophobicContact CB-CD2 4.12Å; A14-V45 HydrophobicContact CB-CG2 3.86Å
15I80.2Confident78.5Confident88 Ų8860 Ų6045%0.45130%0.302SS..  trans-86.1110.1164.8-57.5173.1000106.4T49I15-T49 HydrophobicContact CD1-CG2 4.4Å
16L71.9Confident77.1Confident45 Ų4566 Ų6624%0.23633%0.334CS..BIsolated β-bridgetrans-84.3118.2179.5-82.8171000110.1M1 R18 L43M1-L16 HydrophobicContact CB-CD1 4.2Å; M1-L16 HydrophobicContact CE-CD1 3.45Å; M1-L16 VanDerWaalsContact CE-CD1 3.45Å; M1-L16 HydrophobicContact CG-CD1 3.78Å; M1-L16 HydrophobicContact SD-CD1 3.29Å; M1-L16 WeakPolarHBondContact SD-CD1 3.45Å; L16-R18 VanDerWaalsContact C-N 3.34Å; L16-L43 HydrophobicContact CD2-CD2 3.35Å; L16-L43 HydrophobicContact CD2-CG 4.46Å; L16-L43 HydrophobicContact CG-CD2 4.08Å
17D66.1Low75.6Confident85 Ų8564.5 Ų64.546%0.45532%0.323SS..SBendtrans-83.1-16.3172.1-80.54000112.7R46D17-R46 VanDerWaalsContact CG-CZ 3.42Å; D17-R46 VanDerWaalsContact CG-NH2 3.26Å; D17-R46 WeakPolarHBondContact OD1-CD 3.45Å; D17-R46 IonicContact OD1-CZ 3.44Å; D17-R46 IonicContact OD1-NE 3.91Å; D17-R46 PolarHBondContact OD1-NE 3.25Å; D17-R46 IonicContact OD1-NH1 3.3Å; D17-R46 PolarHBondContact OD1-NH1 3.48Å; D17-R46 IonicContact OD1-NH2 3.88Å; D17-R46 PolarHBondContact OD1-NH2 3.35Å; D17-R46 IonicContact OD2-CZ 3.99Å; D17-R46 VanDerWaalsContact OD2-CZ 3.24Å; D17-R46 IonicContact OD2-NE 2.89Å; D17-R46 PolarHBondContact OD2-NE 3.11Å; D17-R46 IonicContact OD2-NH2 2.77Å; D17-R46 PolarHBondContact OD2-NH2 2.85Å
18R66.1Low73.8Confident208 Ų20873.1 Ų73.179%0.78536%0.363SS*.SBendtrans-135.7155.7-178.3-70.3-173.9-177.3-173.90.8109.8L16 Y20L16-R18 VanDerWaalsContact C-N 3.34Å; R18-Y20 PolarHBondContact O-N 3.37Å
19P59.7Low72Confident103 Ų10379 Ų7967%0.66939%0.385SS*.  trans-52.1138.8169.423.5-33.4000109.3E21P19-E21 PolarHBondContact O-N 3.47Å
20Y63.5Low69.8Low56 Ų5690 Ų9022%0.2243%0.427CS..  trans-61.9102.9176.2173.7-102.3000108.3F3 R18 E22 A41 L43F3-Y20 HydrophobicContact CE1-CD2 4.46Å; F3-Y20 HydrophobicContact CE1-CE2 4.14Å; F3-Y20 HydrophobicContact CZ-CD2 4.19Å; F3-Y20 HydrophobicContact CZ-CE2 4.26Å; R18-Y20 PolarHBondContact O-N 3.37Å; Y20-E22 HydrophobicContact CD1-CG 4.22Å; Y20-E22 HydrophobicContact CE1-CG 3.39Å; Y20-A41 HydrophobicContact CE2-CB 3.68Å; Y20-A41 WeakPolarHBondContact OH-CB 3.39Å; Y20-L43 HydrophobicContact CD2-CD1 4.15Å; Y20-L43 HydrophobicContact CD2-CD2 4.22Å; Y20-L43 HydrophobicContact CD2-CG 4.17Å; Y20-L43 HydrophobicContact CE2-CD1 3.79Å; Y20-L43 HydrophobicContact CE2-CG 4.26Å
21E60.6Low67.5Low135 Ų13595.1 Ų95.163%0.63146%0.463SS*.  trans-99.2118.8171.1-74.1178.7-177.500107.2P19 T23P19-E21 PolarHBondContact O-N 3.47Å; E21-T23 PolarHBondContact O-N 3.3Å
22E62Low65.6Low125 Ų12597.2 Ų97.258%0.58449%0.487SS*.  trans-67.871.6171.2-69.9-173.9167.500109.7Y20 L24Y20-E22 HydrophobicContact CD1-CG 4.22Å; Y20-E22 HydrophobicContact CE1-CG 3.39Å; E22-L24 PolarHBondContact O-N 3.08Å
23T60.3Low63.8Low76 Ų76104.9 Ų104.947%0.46653%0.528SS..  trans-81.8101.1164.4-44.90000105.6E21 V25 R42E21-T23 PolarHBondContact O-N 3.3Å; T23-V25 PolarHBondContact O-N 3.12Å; T23-V25 VanDerWaalsContact O-N 3.09Å; T23-R42 PolarHBondContact O-N 3.39Å
24L61Low62.4Low96 Ų96103 Ų10350%0.50352%0.522SS..BIsolated β-bridgetrans-59.9112.8171.3-70.6171.7000107.7E22 R39 T95E22-L24 PolarHBondContact O-N 3.08Å; L24-R39 HydrophobicContact CD2-CB 3.99Å; L24-R39 HydrophobicContact CD2-CG 4.33Å; L24-T95 HydrophobicContact CD2-CG2 3.91Å
25V64.2Low61.1Low37 Ų37111.2 Ų111.222%0.22456%0.56CS.*  trans-101.4108.5171.7175.50000106.8T23 I27 F40 R42 L92T23-V25 PolarHBondContact O-N 3.12Å; T23-V25 VanDerWaalsContact O-N 3.09Å; V25-I27 PolarHBondContact O-N 3.28Å; V25-I27 VanDerWaalsContact O-N 3.16Å; V25-F40 PolarHBondContact N-O 3.49Å; V25-F40 VanDerWaalsContact N-O 3.16Å; V25-R42 HydrophobicContact CG2-CB 3.73Å; V25-R42 HydrophobicContact CG2-CG 4.28Å; V25-L92 HydrophobicContact CB-CD2 4.45Å; V25-L92 HydrophobicContact CG1-CD1 4.25Å
26D64.5Low59.9Low126 Ų126113 Ų11367%0.67457%0.57SS**  trans-70.7109.6168.1-69.5-27000107.8E28D26-E28 VanDerWaalsContact C-N 3.25Å; D26-E28 PolarHBondContact O-N 3.48Å
27I65.8Low59.1Low13 Ų13115.2 Ų115.27%0.06758%0.58CS.*  trans-70.591.9169.7-55.3175.6000105.8V25 Y29 F40 L65 W68 A82 L92V25-I27 PolarHBondContact O-N 3.28Å; V25-I27 VanDerWaalsContact O-N 3.16Å; I27-Y29 PolarHBondContact O-N 3.24Å; I27-F40 HydrophobicContact CD1-CD2 3.6Å; I27-F40 HydrophobicContact CD1-CE2 3.88Å; I27-F40 HydrophobicContact CD1-CG 4.16Å; I27-F40 HydrophobicContact CG1-CD2 4.17Å; I27-L65 HydrophobicContact CG2-CB 4.06Å; I27-L65 HydrophobicContact CG2-CD1 4.19Å; I27-W68 HydrophobicContact CG2-CB 4.32Å; I27-W68 HydrophobicContact CG2-CG 4.3Å; I27-A82 HydrophobicContact CD1-CB 3.91Å; I27-L92 HydrophobicContact CD1-CD1 3.7Å; I27-L92 HydrophobicContact CG1-CD1 3.74Å
28E59Low59Low190 Ų190113.6 Ų113.689%0.88857%0.567SS**  trans-47.5112.8-175.9-71.9-175.4172.300110.9D26D26-E28 VanDerWaalsContact C-N 3.25Å; D26-E28 PolarHBondContact O-N 3.48Å
29Y57.6Low59.1Low122 Ų122110.7 Ų110.748%0.47856%0.556SS.*  trans-129.6125.1171-156-96.6000110.6I27 S31 L65I27-Y29 PolarHBondContact O-N 3.24Å; Y29-S31 PolarHBondContact O-N 3.34Å; Y29-L65 HydrophobicContact CD2-CB 4.31Å; Y29-L65 HydrophobicContact CD2-CD2 3.49Å; Y29-L65 VanDerWaalsContact CD2-CD2 3.49Å; Y29-L65 HydrophobicContact CD2-CG 4.45Å; Y29-L65 HydrophobicContact CE2-CD2 3.49Å; Y29-L65 VanDerWaalsContact CE2-CD2 3.49Å; Y29-L65 HydrophobicContact CG-CD2 4.21Å
30R50.3Low59.7Low232 Ų232106 Ų10688%0.87553%0.525SS*.  trans-73.9117169.8-86.7179.3165.3-168.3-3.8109.4
31S47.3Very low59.8Low110 Ų110103.3 Ų103.377%0.76952%0.515SS*.SBendtrans95.6118.1160.3-43.70000116.9Y29Y29-S31 PolarHBondContact O-N 3.34Å
32G54.1Low60.1Low58 Ų58102.3 Ų102.360%0.59851%0.505SS*.  trans120.281.6154.100000115.1N34G32-N34 PolarHBondContact O-N 3.46Å
33D55.1Low60.4Low162 Ų16296.4 Ų96.487%0.86648%0.478SS*.SBendtrans25.61.7150.8-59.9-6.3000124E35D33-E35 PolarHBondContact O-N 3.27Å
34N59.2Low60.4Low92 Ų9296.8 Ų96.849%0.49248%0.48SS..  trans-10564.7177.8-67.1-0.5000110.7G32 N36 E37G32-N34 PolarHBondContact O-N 3.46Å; N34-N36 PolarHBondContact O-N 3.2Å; N34-E37 HydrophobicContact CB-CG 4.44Å; N34-E37 PolarHBondContact O-N 3.15Å
35E55.1Low60.6Low176 Ų17692.7 Ų92.782%0.82246%0.459SS*.G310 helixtrans-60.7-23.5-178.6-69.2-171.3155.700113.6D33D33-E35 PolarHBondContact O-N 3.27Å
36N54.1Low60.2Low126 Ų12697.6 Ų97.667%0.67447%0.473SS*.G310 helixtrans-79.4-19.7-174.8-68.5-23.7000114.3N34 R38N34-N36 PolarHBondContact O-N 3.2Å; N36-R38 VanDerWaalsContact C-N 3.31Å; N36-R38 PolarHBondContact O-N 3.35Å
37E55.9Low59.7Low92 Ų9295.7 Ų95.743%0.4347%0.469SS..G310 helixtrans-84.23.8-168.8-71-177.5-171.400115N34 R72N34-E37 HydrophobicContact CB-CG 4.44Å; N34-E37 PolarHBondContact O-N 3.15Å; E37-R72 IonicContact OE2-CZ 2.77Å; E37-R72 IonicContact OE2-NH1 3.7Å; E37-R72 PolarHBondContact OE2-NH1 2.98Å
38R63.1Low59.4Low51 Ų5198.8 Ų98.819%0.19251%0.505CS..G310 helixtrans-132.925.5-161.1-55.9-172.8-173-156.1-0.1116N36 F40N36-R38 VanDerWaalsContact C-N 3.31Å; N36-R38 PolarHBondContact O-N 3.35Å; R38-F40 HydrophobicContact CB-CE2 4.18Å; R38-F40 WeakPolarHBondContact O-CD2 2.87Å; R38-F40 PolarHBondContact O-N 3.26Å
39R67.9Low59.3Low147 Ų14792.4 Ų92.456%0.55548%0.479SS*.  trans-78.6109.2173.4-66.3-175-1761703.5110.2L24 T95L24-R39 HydrophobicContact CD2-CB 3.99Å; L24-R39 HydrophobicContact CD2-CG 4.33Å; R39-T95 HydrophobicContact CB-CG2 4.28Å; R39-T95 WeakPolarHBondContact CB-OG1 3.33Å; R39-T95 PolarHBondContact O-N 3.48Å; R39-T95 VanDerWaalsContact O-N 3.12Å; R39-T95 PolarHBondContact O-OG1 2.93Å
40F72.3Confident59.5Low4 Ų490.7 Ų90.72%0.01849%0.49CS..EExtended strand (participates in β ladder)trans-113.8134.4174.4-63.9-84.3000110.5V25 I27 R38 L70 L92V25-F40 PolarHBondContact N-O 3.49Å; V25-F40 VanDerWaalsContact N-O 3.16Å; I27-F40 HydrophobicContact CD1-CD2 3.6Å; I27-F40 HydrophobicContact CD1-CE2 3.88Å; I27-F40 HydrophobicContact CD1-CG 4.16Å; I27-F40 HydrophobicContact CG1-CD2 4.17Å; R38-F40 HydrophobicContact CB-CE2 4.18Å; R38-F40 WeakPolarHBondContact O-CD2 2.87Å; R38-F40 PolarHBondContact O-N 3.26Å; F40-L70 HydrophobicContact CE1-CD1 3.5Å; F40-L70 HydrophobicContact CE2-CD1 4.15Å; F40-L70 HydrophobicContact CZ-CD1 3.2Å; F40-L70 HydrophobicContact CZ-CD2 4.13Å; F40-L70 HydrophobicContact CZ-CG 4.31Å; F40-L92 HydrophobicContact CB-CB 4.04Å; F40-L92 HydrophobicContact CG-CB 4.46Å
41A66.8Low60Low0 Ų081.8 Ų81.80%046%0.462CS..EExtended strand (participates in β ladder)trans-84131.716500000108.9Y20 L43 V93 T95Y20-A41 HydrophobicContact CE2-CB 3.68Å; Y20-A41 WeakPolarHBondContact OH-CB 3.39Å; A41-L43 PolarHBondContact O-N 3.42Å; A41-V93 PolarHBondContact N-O 3.17Å; A41-V93 PolarHBondContact O-N 2.8Å; A41-T95 HydrophobicContact CB-CG2 4.05Å
42R67.1Low61.2Low113 Ų11378.2 Ų78.243%0.42644%0.437SS..EExtended strand (participates in β ladder)trans-71.3115.6174.3-171.8173.7-173.1167.91.2110.5T23 V25 E90 L92T23-R42 PolarHBondContact O-N 3.39Å; V25-R42 HydrophobicContact CG2-CB 3.73Å; V25-R42 HydrophobicContact CG2-CG 4.28Å; R42-E90 IonicContact CZ-OE1 2.98Å; R42-E90 IonicContact NH2-OE1 2.8Å; R42-E90 PolarHBondContact NH2-OE1 3.31Å; R42-E90 IonicContact NH2-OE2 3.24Å; R42-L92 HydrophobicContact CB-CD2 3.84Å; R42-L92 HydrophobicContact CG-CD2 3.68Å
43L67.1Low62.4Low2 Ų278.3 Ų78.31%0.0143%0.432CS..EExtended strand (participates in β ladder)trans-108132.9167.3-85.2127.6000109.5F3 A14 L16 Y20 A41 V45 L91 V93F3-L43 HydrophobicContact CE1-CD1 4.28Å; F3-L43 HydrophobicContact CE2-CD1 4.17Å; F3-L43 HydrophobicContact CE2-CD2 3.74Å; F3-L43 HydrophobicContact CZ-CD1 3.94Å; F3-L43 HydrophobicContact CZ-CD2 3.81Å; A14-L43 HydrophobicContact CB-CD2 4.12Å; L16-L43 HydrophobicContact CD2-CD2 3.35Å; L16-L43 HydrophobicContact CD2-CG 4.46Å; L16-L43 HydrophobicContact CG-CD2 4.08Å; Y20-L43 HydrophobicContact CD2-CD1 4.15Å; Y20-L43 HydrophobicContact CD2-CD2 4.22Å; Y20-L43 HydrophobicContact CD2-CG 4.17Å; Y20-L43 HydrophobicContact CE2-CD1 3.79Å; Y20-L43 HydrophobicContact CE2-CG 4.26Å; A41-L43 PolarHBondContact O-N 3.42Å; L43-V45 HydrophobicContact CB-CG2 4.4Å; L43-L91 CarbonylContact C-O 3.58Å; L43-L91 VanDerWaalsContact C-O 3.28Å; L43-L91 WeakPolarHBondContact CA-O 3.39Å; L43-L91 WeakPolarHBondContact CB-O 3.37Å; L43-L91 PolarHBondContact N-O 3.39Å; L43-L91 CarbonylContact O-C 3.37Å; L43-L91 PolarHBondContact O-N 3.27Å; L43-V93 HydrophobicContact CB-CG2 4.22Å; L43-V93 HydrophobicContact CD1-CB 3.35Å; L43-V93 HydrophobicContact CD1-CG1 4.3Å; L43-V93 HydrophobicContact CD1-CG2 3.4Å; L43-V93 HydrophobicContact CG-CG2 4.36Å
44V60.9Low64.2Low84 Ų8472.1 Ų72.151%0.50940%0.403SS..EExtended strand (participates in β ladder)trans-99.7105.6169.4-178.30000105.5
45V64.8Low65.7Low10 Ų1071.1 Ų71.16%0.06139%0.393CS..BIsolated β-bridgetrans-95.4135.2-179179.20000108.5A14 L43 S47 T49 L91A14-V45 HydrophobicContact CB-CG2 3.86Å; L43-V45 HydrophobicContact CB-CG2 4.4Å; V45-S47 PolarHBondContact O-N 3.3Å; V45-T49 WeakPolarHBondContact CG1-OG1 3.49Å; V45-L91 HydrophobicContact CB-CB 4.2Å; V45-L91 HydrophobicContact CG2-CB 3.76Å; V45-L91 HydrophobicContact CG2-CD2 3.72Å; V45-L91 HydrophobicContact CG2-CG 4.35Å
46R57Low67.5Low139 Ų13963 Ų6353%0.52536%0.355SS..PPolyproline II helixtrans-59.8130.6173.7-79.9-170.8163.9152.88.2110.5D17 G48D17-R46 VanDerWaalsContact CG-CZ 3.42Å; D17-R46 VanDerWaalsContact CG-NH2 3.26Å; D17-R46 WeakPolarHBondContact OD1-CD 3.45Å; D17-R46 IonicContact OD1-CZ 3.44Å; D17-R46 IonicContact OD1-NE 3.91Å; D17-R46 PolarHBondContact OD1-NE 3.25Å; D17-R46 IonicContact OD1-NH1 3.3Å; D17-R46 PolarHBondContact OD1-NH1 3.48Å; D17-R46 IonicContact OD1-NH2 3.88Å; D17-R46 PolarHBondContact OD1-NH2 3.35Å; D17-R46 IonicContact OD2-CZ 3.99Å; D17-R46 VanDerWaalsContact OD2-CZ 3.24Å; D17-R46 IonicContact OD2-NE 2.89Å; D17-R46 PolarHBondContact OD2-NE 3.11Å; D17-R46 IonicContact OD2-NH2 2.77Å; D17-R46 PolarHBondContact OD2-NH2 2.85Å; R46-G48 PolarHBondContact O-N 3.09Å
47S53.4Low69.2Low86 Ų8660.4 Ų60.460%0.60135%0.345SS*.THydrogen-bonded Turntrans-47.6126.2174.3-163.30000111.4V45 N89V45-S47 PolarHBondContact O-N 3.3Å; S47-N89 WeakPolarHBondContact CB-OD1 3.38Å; S47-N89 VanDerWaalsContact OG-CG 3.27Å; S47-N89 PolarHBondContact OG-ND2 3.3Å; S47-N89 PolarHBondContact OG-OD1 3.21Å
48G59.6Low70.9Confident78 Ų7857.9 Ų57.980%0.80434%0.344SS*.THydrogen-bonded Turntrans121.5-15.8169.200000116.2R46R46-G48 PolarHBondContact O-N 3.09Å
49T57.8Low72.3Confident56 Ų5658.7 Ų58.734%0.34435%0.349SS..SBendtrans-84.9120.2171540000109.2I15 V45 P51I15-T49 HydrophobicContact CD1-CG2 4.4Å; V45-T49 WeakPolarHBondContact CG1-OG1 3.49Å; T49-P51 WeakPolarHBondContact O-CD 3.32Å; T49-P51 VanDerWaalsContact O-N 3.15Å
50A60.7Low73.5Confident87 Ų8753.5 Ų53.572%0.71933%0.332SS*.  trans-57.5121.5170.900000107.4S52A50-S52 PolarHBondContact O-N 3.39Å
51P61.3Low74.5Confident45 Ų4554.7 Ų54.729%0.29234%0.34SS..SBendtrans-70.3-6.4-156.222.6-33.2000114.4V12 T49 Y81 L91V12-P51 WeakPolarHBondContact CA-O 3.39Å; V12-P51 WeakPolarHBondContact CG1-O 3.44Å; V12-P51 WeakPolarHBondContact CG2-O 3.49Å; T49-P51 WeakPolarHBondContact O-CD 3.32Å; T49-P51 VanDerWaalsContact O-N 3.15Å; P51-Y81 HydrophobicContact CG-CE2 4.43Å; P51-L91 HydrophobicContact CB-CD1 3.77Å; P51-L91 HydrophobicContact CB-CD2 3.96Å
52S71.1Confident75.7Confident34 Ų3459.5 Ų59.524%0.23837%0.37CS..  trans-162.1136.3-176.760.70000113.6S11 A50 Y81S11-S52 CarbonylContact O-C 3.59Å; S11-S52 WeakPolarHBondContact O-CA 3.43Å; A50-S52 PolarHBondContact O-N 3.39Å; S52-Y81 PolarHBondContact OG-OH 2.82Å
53A81.3Confident76.9Confident61 Ų6156.9 Ų56.950%0.50436%0.363SS..EExtended strand (participates in β ladder)trans-93.2117157.900000108.2S11S11-A53 PolarHBondContact N-O 3.25Å; S11-A53 VanDerWaalsContact N-O 3.08Å; S11-A53 PolarHBondContact O-N 2.98Å; S11-A53 PolarHBondContact OG-O 3.29Å
54A90.8Very high78.2Confident31 Ų3165.3 Ų65.326%0.25639%0.394SS..EExtended strand (participates in β ladder)trans-95.3122.3170.700000108.9N9 P57 I60N9-A54 WeakPolarHBondContact O-CA 3.48Å; A54-P57 HydrophobicContact CB-CB 4.4Å; A54-I60 HydrophobicContact CB-CD1 3.25Å; A54-I60 HydrophobicContact CB-CG1 4.4Å
55R92.1Very high79.5Confident71 Ų7161.5 Ų61.527%0.26837%0.371SS..SBendtrans-69.9-40.4176-62.9-175.3-178.1163.42.3110.9L8 N9 K118 V119 Y151L8-R55 VanDerWaalsContact O-CD 3.28Å; L8-R55 WeakPolarHBondContact O-CD 3.33Å; L8-R55 PolarHBondContact O-NE 3.48Å; L8-R55 PolarHBondContact O-NH1 3.25Å; N9-R55 PolarHBondContact O-N 3.3Å; R55-K118 WeakPolarHBondContact CD-O 3.38Å; R55-K118 PolarHBondContact NH1-O 3.09Å; R55-V119 HydrophobicContact CB-CG1 4Å; R55-Y151 PolarHBondContact O-OH 3.05Å
56L92.3Very high80.6Confident7 Ų763.7 Ų63.74%0.03740%0.396CS..SBendtrans-124.288.7175.7-55.9175.1000109.7N9 G58 F59 L75 Y117 V119 Y151N9-L56 WeakPolarHBondContact OD1-CA 3.38Å; N9-L56 VanDerWaalsContact OD1-CB 3.31Å; N9-L56 WeakPolarHBondContact OD1-CB 3.34Å; N9-L56 PolarHBondContact OD1-N 3.44Å; L56-G58 PolarHBondContact O-N 3.13Å; L56-G58 VanDerWaalsContact O-N 3.17Å; L56-F59 HydrophobicContact CB-CD2 3.6Å; L56-F59 HydrophobicContact CB-CE2 4.24Å; L56-F59 HydrophobicContact CB-CG 4.42Å; L56-F59 HydrophobicContact CD1-CD2 4.13Å; L56-F59 HydrophobicContact CD1-CE2 4.17Å; L56-F59 HydrophobicContact CG-CD2 4.48Å; L56-F59 PolarHBondContact O-N 2.91Å; L56-L75 HydrophobicContact CD1-CD1 4.07Å; L56-Y117 HydrophobicContact CD2-CD1 4.04Å; L56-V119 HydrophobicContact CD1-CG1 4.29Å; L56-V119 HydrophobicContact CD1-CG2 3.88Å; L56-V119 HydrophobicContact CG-CG1 4.44Å; L56-Y151 HydrophobicContact CD2-CD1 4.39Å; L56-Y151 HydrophobicContact CD2-CE1 3.95Å
57P91Very high82.2Confident70 Ų7059 Ų5946%0.45539%0.385SS..G310 helixtrans-63-26.2-173.424.1-33.9000113.4A54 F59 I60 Y151A54-P57 HydrophobicContact CB-CB 4.4Å; P57-F59 PolarHBondContact O-N 2.65Å; P57-I60 PolarHBondContact O-N 3.22Å; P57-Y151 HydrophobicContact CG-CE1 4.35Å
58G90.2Very high84Confident40 Ų4056.8 Ų56.841%0.41236%0.363SS..G310 helixtrans-66.8-12.6175.700000114.9L56L56-G58 PolarHBondContact O-N 3.13Å; L56-G58 VanDerWaalsContact O-N 3.17Å
59F92.2Very high85.5Confident68 Ų6855 Ų5530%0.29833%0.334SS..G310 helixtrans-105.224.9179.9-66.5-97.8000112L56 P57 Q74 L75 V152L56-F59 HydrophobicContact CB-CD2 3.6Å; L56-F59 HydrophobicContact CB-CE2 4.24Å; L56-F59 HydrophobicContact CB-CG 4.42Å; L56-F59 HydrophobicContact CD1-CD2 4.13Å; L56-F59 HydrophobicContact CD1-CE2 4.17Å; L56-F59 HydrophobicContact CG-CD2 4.48Å; L56-F59 PolarHBondContact O-N 2.91Å; P57-F59 PolarHBondContact O-N 2.65Å; F59-Q74 HydrophobicContact CB-CB 4.32Å; F59-Q74 WeakPolarHBondContact O-CB 3.41Å; F59-Q74 PolarHBondContact O-N 3.47Å; F59-L75 HydrophobicContact CB-CD1 4.2Å; F59-L75 HydrophobicContact CB-CG 3.98Å; F59-L75 HydrophobicContact CD1-CD1 4.34Å; F59-L75 HydrophobicContact CD1-CD2 3.53Å; F59-L75 HydrophobicContact CD1-CG 3.66Å; F59-L75 HydrophobicContact CE1-CD2 3.75Å; F59-L75 HydrophobicContact CE1-CG 4.36Å; F59-L75 HydrophobicContact CG-CD1 4.22Å; F59-L75 HydrophobicContact CG-CD2 4.23Å; F59-L75 HydrophobicContact CG-CG 3.95Å; F59-V152 HydrophobicContact CE2-CG2 3.81Å; F59-V152 HydrophobicContact CZ-CG2 4.44Å
60I93.5Very high87.2Confident38 Ų3852.4 Ų52.420%0.19532%0.318CS..EExtended strand (participates in β ladder)trans-112.1121.7173-60.9-178.4000108.4V10 A54 P57 T62 C71 R72V10-I60 HydrophobicContact CG2-CD1 3.89Å; V10-I60 HydrophobicContact CG2-CG1 4.09Å; A54-I60 HydrophobicContact CB-CD1 3.25Å; A54-I60 HydrophobicContact CB-CG1 4.4Å; P57-I60 PolarHBondContact O-N 3.22Å; I60-T62 HydrophobicContact CG2-CG2 4.36Å; I60-C71 HydrophobicContact CG2-CB 4.22Å; I60-R72 WeakPolarHBondContact CA-O 3.48Å
61S92.9Very high88.7Confident28 Ų2848.4 Ų48.420%0.19629%0.285CS..EExtended strand (participates in β ladder)trans-91.5132.1168.8120.30000108.4C71 R72S61-C71 WeakPolarHBondContact O-CA 3.35Å; S61-R72 PolarHBondContact N-O 3.47Å; S61-R72 PolarHBondContact O-N 3.16Å
62T93.2Very high90.3Very high101 Ų10148 Ų4862%0.6228%0.278SS*.EExtended strand (participates in β ladder)trans-109.3127.5170.4540000109.5I60 L70I60-T62 HydrophobicContact CG2-CG2 4.36Å; T62-L70 CarbonylContact C-O 3.49Å; T62-L70 WeakPolarHBondContact CA-O 3.32Å
63E92.8Very high91.4Very high59 Ų5946.5 Ų46.528%0.27627%0.267SS..EExtended strand (participates in β ladder)trans-122.6130.7179.5-173.1-177.4-175.500108.9L65 L70 R72E63-L65 HydrophobicContact CG-CD2 4.03Å; E63-L65 HydrophobicContact CG-CG 4.42Å; E63-L70 PolarHBondContact N-O 3.31Å; E63-L70 PolarHBondContact O-N 3.27Å; E63-R72 IonicContact OE2-CZ 3.77Å; E63-R72 IonicContact OE2-NE 2.73Å; E63-R72 PolarHBondContact OE2-NE 3.49Å; E63-R72 IonicContact OE2-NH2 2.71Å; E63-R72 PolarHBondContact OE2-NH2 3.39Å
64R92.5Very high91.9Very high178 Ų17849.4 Ų49.467%0.67227%0.27SS*.EExtended strand (participates in β ladder)trans-91.4116.6178.5-173177.4179.2176.22.6110.2G66R64-G66 PolarHBondContact NE-O 3.07Å
65L88.4Confident92.1Very high5 Ų549.4 Ų49.43%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-114.683.4179.1-58.3178.6000109.2I27 Y29 E63 S67 W68 L70I27-L65 HydrophobicContact CG2-CB 4.06Å; I27-L65 HydrophobicContact CG2-CD1 4.19Å; Y29-L65 HydrophobicContact CD2-CB 4.31Å; Y29-L65 HydrophobicContact CD2-CD2 3.49Å; Y29-L65 VanDerWaalsContact CD2-CD2 3.49Å; Y29-L65 HydrophobicContact CD2-CG 4.45Å; Y29-L65 HydrophobicContact CE2-CD2 3.49Å; Y29-L65 VanDerWaalsContact CE2-CD2 3.49Å; Y29-L65 HydrophobicContact CG-CD2 4.21Å; E63-L65 HydrophobicContact CG-CD2 4.03Å; E63-L65 HydrophobicContact CG-CG 4.42Å; L65-S67 PolarHBondContact O-N 3.39Å; L65-W68 CarbonylContact C-O 3.28Å; L65-W68 PolarHBondContact N-O 3.37Å; L65-W68 PolarHBondContact O-N 3.29Å; L65-L70 HydrophobicContact CD1-CB 3.96Å; L65-L70 HydrophobicContact CD1-CD2 3.81Å; L65-L70 HydrophobicContact CG-CB 4.45Å
66G89.2Confident92.1Very high56 Ų5648.3 Ų48.358%0.57727%0.269SS*.THydrogen-bonded Turntrans65.3-116.2-176.800000112.5R64 W68R64-G66 PolarHBondContact NE-O 3.07Å; G66-W68 VanDerWaalsContact C-N 3.33Å
67S90.8Very high92.1Very high41 Ų4150.4 Ų50.429%0.28729%0.292SS..THydrogen-bonded Turntrans-85.2-2.7173.955.20000113.4L65 I85 D86L65-S67 PolarHBondContact O-N 3.39Å; S67-I85 WeakPolarHBondContact O-CB 3.45Å; S67-I85 WeakPolarHBondContact O-CG1 3.35Å; S67-I85 PolarHBondContact O-N 3.19Å; S67-D86 WeakPolarHBondContact CB-OD2 3.37Å
68W90.6Very high92.2Very high39 Ų3947.5 Ų47.515%0.14827%0.273CS..EExtended strand (participates in β ladder)trans-104.4147.6178.4-65.587.9000111.6I27 L65 G66 A82 F83 S84 E90 L92I27-W68 HydrophobicContact CG2-CB 4.32Å; I27-W68 HydrophobicContact CG2-CG 4.3Å; L65-W68 CarbonylContact C-O 3.28Å; L65-W68 PolarHBondContact N-O 3.37Å; L65-W68 PolarHBondContact O-N 3.29Å; G66-W68 VanDerWaalsContact C-N 3.33Å; W68-A82 HydrophobicContact CE3-CB 4.14Å; W68-F83 WeakPolarHBondContact CA-O 3.46Å; W68-S84 VanDerWaalsContact CE3-N 3.33Å; W68-S84 VanDerWaalsContact CZ3-N 3.34Å; W68-E90 HydrophobicContact CH2-CB 4.03Å; W68-L92 HydrophobicContact CD2-CD1 4.13Å; W68-L92 HydrophobicContact CE3-CD1 3.84Å; W68-L92 HydrophobicContact CE3-CG 4.1Å; W68-L92 HydrophobicContact CH2-CD1 3.8Å; W68-L92 HydrophobicContact CH2-CD2 4.07Å; W68-L92 HydrophobicContact CH2-CG 3.69Å; W68-L92 HydrophobicContact CZ2-CD1 4.06Å; W68-L92 HydrophobicContact CZ2-CG 4.42Å; W68-L92 HydrophobicContact CZ3-CD1 3.7Å; W68-L92 HydrophobicContact CZ3-CD2 4.35Å; W68-L92 HydrophobicContact CZ3-CG 3.51Å
69I91.8Very high92.2Very high40 Ų4046 Ų4621%0.20526%0.258CS..EExtended strand (participates in β ladder)trans-114.2112.7166.9-63.4172.6000107A82 F83 I85I69-A82 CarbonylContact O-C 3.25Å; I69-A82 WeakPolarHBondContact O-CA 3.18Å; I69-F83 HydrophobicContact CB-CD1 4.22Å; I69-F83 HydrophobicContact CB-CD2 4.41Å; I69-F83 HydrophobicContact CB-CE1 3.69Å; I69-F83 HydrophobicContact CB-CE2 3.91Å; I69-F83 HydrophobicContact CB-CZ 3.53Å; I69-F83 HydrophobicContact CD1-CE2 3.65Å; I69-F83 HydrophobicContact CD1-CZ 3.65Å; I69-F83 HydrophobicContact CG1-CE2 4.22Å; I69-F83 HydrophobicContact CG1-CZ 4.14Å; I69-F83 HydrophobicContact CG2-CD1 4.47Å; I69-F83 HydrophobicContact CG2-CE1 3.59Å; I69-F83 HydrophobicContact CG2-CE2 4.45Å; I69-F83 HydrophobicContact CG2-CZ 3.59Å; I69-F83 PolarHBondContact N-O 3.37Å; I69-F83 PolarHBondContact O-N 2.93Å; I69-I85 HydrophobicContact CD1-CD1 3.96Å; I69-I85 HydrophobicContact CD1-CG1 3.81Å; I69-I85 HydrophobicContact CG1-CD1 3.92Å; I69-I85 HydrophobicContact CG1-CG1 3.92Å
70L91.5Very high92.2Very high1 Ų142.9 Ų42.91%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-88.6126.8177.5172.660000110F40 T62 E63 L65 R72 A82F40-L70 HydrophobicContact CE1-CD1 3.5Å; F40-L70 HydrophobicContact CE2-CD1 4.15Å; F40-L70 HydrophobicContact CZ-CD1 3.2Å; F40-L70 HydrophobicContact CZ-CD2 4.13Å; F40-L70 HydrophobicContact CZ-CG 4.31Å; T62-L70 CarbonylContact C-O 3.49Å; T62-L70 WeakPolarHBondContact CA-O 3.32Å; E63-L70 PolarHBondContact N-O 3.31Å; E63-L70 PolarHBondContact O-N 3.27Å; L65-L70 HydrophobicContact CD1-CB 3.96Å; L65-L70 HydrophobicContact CD1-CD2 3.81Å; L65-L70 HydrophobicContact CG-CB 4.45Å; L70-R72 HydrophobicContact CD2-CG 4.05Å; L70-R72 HydrophobicContact CG-CG 3.96Å; L70-A82 HydrophobicContact CB-CB 4.43Å; L70-A82 HydrophobicContact CD1-CB 4.15Å
71C93.8Very high92.2Very high3 Ų341.9 Ų41.92%0.0224%0.238CC..EExtended strand (participates in β ladder)trans-101.8117.9172.2-65.60000110I60 S61 C80 Y81I60-C71 HydrophobicContact CG2-CB 4.22Å; S61-C71 WeakPolarHBondContact O-CA 3.35Å; C71-C80 PolarHBondContact O-N 3.2Å; C71-Y81 HydrophobicContact CB-CD1 4.07Å; C71-Y81 HydrophobicContact CB-CD2 4.18Å; C71-Y81 HydrophobicContact CB-CE1 3.68Å; C71-Y81 HydrophobicContact CB-CE2 3.86Å; C71-Y81 HydrophobicContact CB-CG 4.29Å; C71-Y81 WeakPolarHBondContact CB-O 3.39Å; C71-Y81 PolarHBondContact N-O 3Å; C71-Y81 PolarHBondContact O-N 3.36Å; C71-Y81 WeakPolarHBondContact SG-CE2 3.36Å; C71-Y81 PolarHBondContact SG-OH 3.18Å; C71-Y81 VanDerWaalsContact SG-OH 3.36Å
72R93.4Very high92Very high38 Ų3840.5 Ų40.514%0.14323%0.229CC..EExtended strand (participates in β ladder)trans-109.4138.2175.8-53.2-169.6-171.5-157.45.1110.5E37 I60 S61 E63 L70 Q74E37-R72 IonicContact OE2-CZ 2.77Å; E37-R72 IonicContact OE2-NH1 3.7Å; E37-R72 PolarHBondContact OE2-NH1 2.98Å; I60-R72 WeakPolarHBondContact CA-O 3.48Å; S61-R72 PolarHBondContact N-O 3.47Å; S61-R72 PolarHBondContact O-N 3.16Å; E63-R72 IonicContact OE2-CZ 3.77Å; E63-R72 IonicContact OE2-NE 2.73Å; E63-R72 PolarHBondContact OE2-NE 3.49Å; E63-R72 IonicContact OE2-NH2 2.71Å; E63-R72 PolarHBondContact OE2-NH2 3.39Å; L70-R72 HydrophobicContact CD2-CG 4.05Å; L70-R72 HydrophobicContact CG-CG 3.96Å; R72-Q74 PolarHBondContact O-N 3.41Å
73C94.8Very high91.9Very high1 Ų138.8 Ų38.81%0.00721%0.212CC..EExtended strand (participates in β ladder)trans-80.9118.4171.6-176.10000109.5C7 V10 L75 G77 T78 C80C7-C73 PolarHBondContact SG-SG 3.01Å; V10-C73 HydrophobicContact CG2-CB 4.16Å; C73-L75 PolarHBondContact O-N 3.36Å; C73-G77 CarbonylContact O-C 3.56Å; C73-G77 WeakPolarHBondContact O-CA 3.37Å; C73-G77 PolarHBondContact O-N 2.79Å; C73-T78 PolarHBondContact N-O 3.1Å; C73-C80 VanDerWaalsContact CB-SG 3.53Å
74Q93.2Very high91.7Very high122 Ų12236.1 Ų36.157%0.5720%0.2SC*.THydrogen-bonded Turntrans-69.2-20.1178.7-68.3-74.914.500113F59 R72F59-Q74 HydrophobicContact CB-CB 4.32Å; F59-Q74 WeakPolarHBondContact O-CB 3.41Å; F59-Q74 PolarHBondContact O-N 3.47Å; R72-Q74 PolarHBondContact O-N 3.41Å
75L93.2Very high91.7Very high32 Ų3231 Ų3117%0.16819%0.185CC..THydrogen-bonded Turntrans-75.3-40.4-179.4-73.5168.2000113.1C7 N9 L56 F59 C73C7-L75 HydrophobicContact CB-CB 4.36Å; N9-L75 HydrophobicContact CB-CD1 3.88Å; L56-L75 HydrophobicContact CD1-CD1 4.07Å; F59-L75 HydrophobicContact CB-CD1 4.2Å; F59-L75 HydrophobicContact CB-CG 3.98Å; F59-L75 HydrophobicContact CD1-CD1 4.34Å; F59-L75 HydrophobicContact CD1-CD2 3.53Å; F59-L75 HydrophobicContact CD1-CG 3.66Å; F59-L75 HydrophobicContact CE1-CD2 3.75Å; F59-L75 HydrophobicContact CE1-CG 4.36Å; F59-L75 HydrophobicContact CG-CD1 4.22Å; F59-L75 HydrophobicContact CG-CD2 4.23Å; F59-L75 HydrophobicContact CG-CG 3.95Å; C73-L75 PolarHBondContact O-N 3.36Å
76C93.8Very high91.8Very high48 Ų4835.9 Ų35.932%0.32421%0.212SC..THydrogen-bonded Turntrans-114.4-3.8179.8660000114.1C7 T78C7-C76 HydrophobicContact CB-CB 3.94Å; C76-T78 PolarHBondContact O-N 2.98Å; C76-T78 VanDerWaalsContact O-N 3.16Å; C76-T78 VanDerWaalsContact SG-CB 3.59Å; C76-T78 PolarHBondContact SG-OG1 3Å; C76-T78 VanDerWaalsContact SG-OG1 3.33Å
77G92.4Very high91.8Very high51 Ų5138.4 Ų38.453%0.52621%0.208SC..  trans77.7-16.9-177.300000115C73 G79C73-G77 CarbonylContact O-C 3.56Å; C73-G77 WeakPolarHBondContact O-CA 3.37Å; C73-G77 PolarHBondContact O-N 2.79Å; G77-G79 PolarHBondContact O-N 3.28Å
78T91.7Very high91.5Very high8 Ų841.3 Ų41.35%0.04923%0.226CC..  trans-59.4129.5-175.5-55.90000112.8C73 C76 C80 E96C73-T78 PolarHBondContact N-O 3.1Å; C76-T78 PolarHBondContact O-N 2.98Å; C76-T78 VanDerWaalsContact O-N 3.16Å; C76-T78 VanDerWaalsContact SG-CB 3.59Å; C76-T78 PolarHBondContact SG-OG1 3Å; C76-T78 VanDerWaalsContact SG-OG1 3.33Å; T78-C80 PolarHBondContact O-N 3.23Å; T78-C80 VanDerWaalsContact O-N 3.1Å; T78-C80 PolarHBondContact O-SG 3.01Å; T78-C80 VanDerWaalsContact O-SG 3.32Å; T78-E96 HydrophobicContact CG2-CB 3.67Å; T78-E96 WeakPolarHBondContact CG2-OE2 3.42Å; T78-E96 PolarHBondContact OG1-OE2 3.48Å
79G90.7Very high91Very high10 Ų1043.1 Ų43.110%0.10324%0.239CC..EExtended strand (participates in β ladder)trans-67.5101.4166.100000109.8G77 G94G77-G79 PolarHBondContact O-N 3.28Å; G79-G94 WeakPolarHBondContact O-CA 3.31Å
80C92.6Very high90.6Very high1 Ų143.2 Ų43.21%0.00724%0.238CC..EExtended strand (participates in β ladder)trans-76.6-58.2-169.9-62.30000111V10 C71 C73 T78 G94 M97V10-C80 HydrophobicContact CB-CB 4.29Å; V10-C80 HydrophobicContact CG1-CB 3.9Å; C71-C80 PolarHBondContact O-N 3.2Å; C73-C80 VanDerWaalsContact CB-SG 3.53Å; T78-C80 PolarHBondContact O-N 3.23Å; T78-C80 VanDerWaalsContact O-N 3.1Å; T78-C80 PolarHBondContact O-SG 3.01Å; T78-C80 VanDerWaalsContact O-SG 3.32Å; C80-G94 PolarHBondContact O-N 3.47Å; C80-M97 VanDerWaalsContact C-SD 3.52Å; C80-M97 VanDerWaalsContact CA-SD 3.59Å; C80-M97 HydrophobicContact CB-CE 4.41Å; C80-M97 HydrophobicContact CB-SD 3.88Å
81Y92.2Very high90.4Very high17 Ų1743.5 Ų43.57%0.06724%0.24CC..EExtended strand (participates in β ladder)trans-153.1158.6-179.264.3-88.3000110.6V10 V12 P51 S52 C71 F83 L91 L92V10-Y81 HydrophobicContact CG1-CD1 4.11Å; V10-Y81 HydrophobicContact CG1-CE1 3.85Å; V12-Y81 HydrophobicContact CG2-CD1 3.58Å; V12-Y81 HydrophobicContact CG2-CE1 4.28Å; V12-Y81 HydrophobicContact CG2-CG 4.08Å; P51-Y81 HydrophobicContact CG-CE2 4.43Å; S52-Y81 PolarHBondContact OG-OH 2.82Å; C71-Y81 HydrophobicContact CB-CD1 4.07Å; C71-Y81 HydrophobicContact CB-CD2 4.18Å; C71-Y81 HydrophobicContact CB-CE1 3.68Å; C71-Y81 HydrophobicContact CB-CE2 3.86Å; C71-Y81 HydrophobicContact CB-CG 4.29Å; C71-Y81 WeakPolarHBondContact CB-O 3.39Å; C71-Y81 PolarHBondContact N-O 3Å; C71-Y81 PolarHBondContact O-N 3.36Å; C71-Y81 WeakPolarHBondContact SG-CE2 3.36Å; C71-Y81 PolarHBondContact SG-OH 3.18Å; C71-Y81 VanDerWaalsContact SG-OH 3.36Å; Y81-F83 HydrophobicContact CD2-CD1 4.31Å; Y81-F83 AromaticContact CE2-CD1 3.95Å; Y81-F83 HydrophobicContact CE2-CD1 3.95Å; Y81-F83 HydrophobicContact CE2-CE1 4.39Å; Y81-L91 HydrophobicContact CD2-CD1 3.53Å; Y81-L91 HydrophobicContact CE2-CD1 4.33Å; Y81-L91 HydrophobicContact CG-CD1 4.17Å; Y81-L92 CarbonylContact C-O 3.5Å; Y81-L92 WeakPolarHBondContact CA-O 3.42Å; Y81-L92 VanDerWaalsContact CB-O 3.26Å; Y81-L92 WeakPolarHBondContact CB-O 3.35Å
82A90.6Very high90.1Very high0 Ų043.4 Ų43.40%024%0.239CC..EExtended strand (participates in β ladder)trans-130.2138.8171.500000109.8I27 W68 I69 L70 L91 L92I27-A82 HydrophobicContact CD1-CB 3.91Å; W68-A82 HydrophobicContact CE3-CB 4.14Å; I69-A82 CarbonylContact O-C 3.25Å; I69-A82 WeakPolarHBondContact O-CA 3.18Å; L70-A82 HydrophobicContact CB-CB 4.43Å; L70-A82 HydrophobicContact CD1-CB 4.15Å; A82-L91 CarbonylContact O-C 3.54Å; A82-L91 WeakPolarHBondContact O-CA 3.34Å; A82-L92 HydrophobicContact CB-CB 4.26Å; A82-L92 PolarHBondContact N-O 3.04Å; A82-L92 PolarHBondContact O-N 3.29Å
83F90Very high89.9Confident64 Ų6441.7 Ų41.728%0.28123%0.233SC..EExtended strand (participates in β ladder)trans-120.3145.717661.9-85.3000110.4W68 I69 Y81 L91W68-F83 WeakPolarHBondContact CA-O 3.46Å; I69-F83 HydrophobicContact CB-CD1 4.22Å; I69-F83 HydrophobicContact CB-CD2 4.41Å; I69-F83 HydrophobicContact CB-CE1 3.69Å; I69-F83 HydrophobicContact CB-CE2 3.91Å; I69-F83 HydrophobicContact CB-CZ 3.53Å; I69-F83 HydrophobicContact CD1-CE2 3.65Å; I69-F83 HydrophobicContact CD1-CZ 3.65Å; I69-F83 HydrophobicContact CG1-CE2 4.22Å; I69-F83 HydrophobicContact CG1-CZ 4.14Å; I69-F83 HydrophobicContact CG2-CD1 4.47Å; I69-F83 HydrophobicContact CG2-CE1 3.59Å; I69-F83 HydrophobicContact CG2-CE2 4.45Å; I69-F83 HydrophobicContact CG2-CZ 3.59Å; I69-F83 PolarHBondContact N-O 3.37Å; I69-F83 PolarHBondContact O-N 2.93Å; Y81-F83 HydrophobicContact CD2-CD1 4.31Å; Y81-F83 AromaticContact CE2-CD1 3.95Å; Y81-F83 HydrophobicContact CE2-CD1 3.95Å; Y81-F83 HydrophobicContact CE2-CE1 4.39Å; F83-L91 HydrophobicContact CB-CD1 3.96Å
84S89.6Confident89.7Confident3 Ų341.9 Ų41.92%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-83.6134.4179.4176.20000110.4W68 D86 H87 E90W68-S84 VanDerWaalsContact CE3-N 3.33Å; W68-S84 VanDerWaalsContact CZ3-N 3.34Å; S84-D86 VanDerWaalsContact C-N 3.32Å; S84-D86 PolarHBondContact OG-N 3.43Å; S84-H87 WeakPolarHBondContact CB-O 3.4Å; S84-H87 CarbonylContact O-C 3.38Å; S84-H87 PolarHBondContact OG-N 3.46Å; S84-E90 PolarHBondContact N-O 3.43Å
85I90.9Very high89.5Confident70 Ų7038.1 Ų38.136%0.35922%0.22SC..SBendtrans-68.5-37.8171.5-61171.3000109.6S67 I69S67-I85 WeakPolarHBondContact O-CB 3.45Å; S67-I85 WeakPolarHBondContact O-CG1 3.35Å; S67-I85 PolarHBondContact O-N 3.19Å; I69-I85 HydrophobicContact CD1-CD1 3.96Å; I69-I85 HydrophobicContact CD1-CG1 3.81Å; I69-I85 HydrophobicContact CG1-CD1 3.92Å; I69-I85 HydrophobicContact CG1-CG1 3.92Å
86D92.2Very high89.3Confident109 Ų10941.5 Ų41.558%0.58324%0.235SC*.SBendtrans-80.3-28.7-177.7-60.9-33.3000111.6S67 S84S67-D86 WeakPolarHBondContact CB-OD2 3.37Å; S84-D86 VanDerWaalsContact C-N 3.32Å; S84-D86 PolarHBondContact OG-N 3.43Å
87H88.3Confident89.3Confident108 Ų10839.5 Ų39.550%0.522%0.221SC..  trans-129.581.8-178.4-55.6-35.6000110S84 N89 E90S84-H87 WeakPolarHBondContact CB-O 3.4Å; S84-H87 CarbonylContact O-C 3.38Å; S84-H87 PolarHBondContact OG-N 3.46Å; H87-N89 PolarHBondContact O-N 2.85Å; H87-E90 HydrophobicContact CB-CB 4.14Å; H87-E90 HydrophobicContact CB-CG 3.83Å; H87-E90 IonicContact CD2-OE2 2.79Å; H87-E90 PolarHBondContact CD2-OE2 3.22Å; H87-E90 IonicContact CG-OE2 3.37Å; H87-E90 PolarHBondContact O-N 2.98Å
88P85.2Confident89.4Confident103 Ų10339.4 Ų39.467%0.66921%0.209SC*.THydrogen-bonded Turntrans-64.4-9-173.926.8-36.4000114.3
89N80.4Confident89.4Confident76 Ų7644 Ų4441%0.40623%0.229SC..THydrogen-bonded Turntrans-95.1-3.7176.9-57.5-21.1000112.6S47 H87S47-N89 WeakPolarHBondContact CB-OD1 3.38Å; S47-N89 VanDerWaalsContact OG-CG 3.27Å; S47-N89 PolarHBondContact OG-ND2 3.3Å; S47-N89 PolarHBondContact OG-OD1 3.21Å; H87-N89 PolarHBondContact O-N 2.85Å
90E82.7Confident89.6Confident42 Ų4247.1 Ų47.120%0.19624%0.244CC..EExtended strand (participates in β ladder)trans-99.5126.1176.3-64.7-166.4142.700109.9R42 W68 S84 H87R42-E90 IonicContact CZ-OE1 2.98Å; R42-E90 IonicContact NH2-OE1 2.8Å; R42-E90 PolarHBondContact NH2-OE1 3.31Å; R42-E90 IonicContact NH2-OE2 3.24Å; W68-E90 HydrophobicContact CH2-CB 4.03Å; S84-E90 PolarHBondContact N-O 3.43Å; H87-E90 HydrophobicContact CB-CB 4.14Å; H87-E90 HydrophobicContact CB-CG 3.83Å; H87-E90 IonicContact CD2-OE2 2.79Å; H87-E90 PolarHBondContact CD2-OE2 3.22Å; H87-E90 IonicContact CG-OE2 3.37Å; H87-E90 PolarHBondContact O-N 2.98Å
91L86.9Confident89.7Confident7 Ų754.9 Ų54.94%0.03728%0.28CS..EExtended strand (participates in β ladder)trans-132.4109.9-177.5-174.778.3000109.7V12 L43 V45 P51 Y81 A82 F83 V93V12-L91 HydrophobicContact CG1-CD2 3.55Å; L43-L91 CarbonylContact C-O 3.58Å; L43-L91 VanDerWaalsContact C-O 3.28Å; L43-L91 WeakPolarHBondContact CA-O 3.39Å; L43-L91 WeakPolarHBondContact CB-O 3.37Å; L43-L91 PolarHBondContact N-O 3.39Å; L43-L91 CarbonylContact O-C 3.37Å; L43-L91 PolarHBondContact O-N 3.27Å; V45-L91 HydrophobicContact CB-CB 4.2Å; V45-L91 HydrophobicContact CG2-CB 3.76Å; V45-L91 HydrophobicContact CG2-CD2 3.72Å; V45-L91 HydrophobicContact CG2-CG 4.35Å; P51-L91 HydrophobicContact CB-CD1 3.77Å; P51-L91 HydrophobicContact CB-CD2 3.96Å; Y81-L91 HydrophobicContact CD2-CD1 3.53Å; Y81-L91 HydrophobicContact CE2-CD1 4.33Å; Y81-L91 HydrophobicContact CG-CD1 4.17Å; A82-L91 CarbonylContact O-C 3.54Å; A82-L91 WeakPolarHBondContact O-CA 3.34Å; F83-L91 HydrophobicContact CB-CD1 3.96Å; L91-V93 HydrophobicContact CD2-CG2 4.11Å; L91-V93 HydrophobicContact CG-CG2 4.33Å
92L87.2Confident90Very high2 Ų258 Ų581%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-80.4138.9169.8-50.9176.1000108.6V25 I27 F40 R42 W68 Y81 A82V25-L92 HydrophobicContact CB-CD2 4.45Å; V25-L92 HydrophobicContact CG1-CD1 4.25Å; I27-L92 HydrophobicContact CD1-CD1 3.7Å; I27-L92 HydrophobicContact CG1-CD1 3.74Å; F40-L92 HydrophobicContact CB-CB 4.04Å; F40-L92 HydrophobicContact CG-CB 4.46Å; R42-L92 HydrophobicContact CB-CD2 3.84Å; R42-L92 HydrophobicContact CG-CD2 3.68Å; W68-L92 HydrophobicContact CD2-CD1 4.13Å; W68-L92 HydrophobicContact CE3-CD1 3.84Å; W68-L92 HydrophobicContact CE3-CG 4.1Å; W68-L92 HydrophobicContact CH2-CD1 3.8Å; W68-L92 HydrophobicContact CH2-CD2 4.07Å; W68-L92 HydrophobicContact CH2-CG 3.69Å; W68-L92 HydrophobicContact CZ2-CD1 4.06Å; W68-L92 HydrophobicContact CZ2-CG 4.42Å; W68-L92 HydrophobicContact CZ3-CD1 3.7Å; W68-L92 HydrophobicContact CZ3-CD2 4.35Å; W68-L92 HydrophobicContact CZ3-CG 3.51Å; Y81-L92 CarbonylContact C-O 3.5Å; Y81-L92 WeakPolarHBondContact CA-O 3.42Å; Y81-L92 VanDerWaalsContact CB-O 3.26Å; Y81-L92 WeakPolarHBondContact CB-O 3.35Å; A82-L92 HydrophobicContact CB-CB 4.26Å; A82-L92 PolarHBondContact N-O 3.04Å; A82-L92 PolarHBondContact O-N 3.29Å
93V89.8Confident90.3Very high2 Ų259.5 Ų59.51%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-119.3139175-176.40000108.4F3 V12 A41 L43 L91 M97F3-V93 HydrophobicContact CB-CG1 3.98Å; F3-V93 HydrophobicContact CD1-CG1 4.16Å; F3-V93 HydrophobicContact CG-CG1 4.04Å; V12-V93 HydrophobicContact CG1-CG2 4.08Å; A41-V93 PolarHBondContact N-O 3.17Å; A41-V93 PolarHBondContact O-N 2.8Å; L43-V93 HydrophobicContact CB-CG2 4.22Å; L43-V93 HydrophobicContact CD1-CB 3.35Å; L43-V93 HydrophobicContact CD1-CG1 4.3Å; L43-V93 HydrophobicContact CD1-CG2 3.4Å; L43-V93 HydrophobicContact CG-CG2 4.36Å; L91-V93 HydrophobicContact CD2-CG2 4.11Å; L91-V93 HydrophobicContact CG-CG2 4.33Å; V93-M97 HydrophobicContact CG1-CB 4.09Å; V93-M97 HydrophobicContact CG1-CG 4.05Å; V93-M97 HydrophobicContact CG1-SD 3.35Å; V93-M97 WeakPolarHBondContact CG1-SD 3.3Å
94G89.5Confident90.6Very high4 Ų457.1 Ų57.14%0.04131%0.307CS..EExtended strand (participates in β ladder)trans-62.2138-179.100000111.1G79 C80 E96 M97G79-G94 WeakPolarHBondContact O-CA 3.31Å; C80-G94 PolarHBondContact O-N 3.47Å; G94-E96 PolarHBondContact O-N 2.89Å; G94-E96 VanDerWaalsContact O-N 3.16Å; G94-M97 WeakPolarHBondContact O-CB 3.49Å; G94-M97 PolarHBondContact O-N 2.99Å
95T89Confident91Very high44 Ų4458.7 Ų58.727%0.2732%0.32SS..THydrogen-bonded Turntrans-64.8-19178.454.50000112.7L24 R39 A41 M97L24-T95 HydrophobicContact CD2-CG2 3.91Å; R39-T95 HydrophobicContact CB-CG2 4.28Å; R39-T95 WeakPolarHBondContact CB-OG1 3.33Å; R39-T95 PolarHBondContact O-N 3.48Å; R39-T95 VanDerWaalsContact O-N 3.12Å; R39-T95 PolarHBondContact O-OG1 2.93Å; A41-T95 HydrophobicContact CB-CG2 4.05Å; T95-M97 VanDerWaalsContact C-N 3.28Å
96E89.9Confident91.3Very high102 Ų10258.2 Ų58.248%0.47733%0.326SS..THydrogen-bonded Turntrans-79.2-7.4176.3-62.1-179.1178.800113.4T78 G94T78-E96 HydrophobicContact CG2-CB 3.67Å; T78-E96 WeakPolarHBondContact CG2-OE2 3.42Å; T78-E96 PolarHBondContact OG1-OE2 3.48Å; G94-E96 PolarHBondContact O-N 2.89Å; G94-E96 VanDerWaalsContact O-N 3.16Å
97M92.7Very high91.5Very high6 Ų655.4 Ų55.43%0.0331%0.311CS..SBendtrans-74.1135.1176.1-68.4-165.273.500111.3F3 V4 C5 V12 C80 V93 G94 T95F3-M97 VanDerWaalsContact C-CE 3.48Å; F3-M97 HydrophobicContact CB-CB 4.22Å; F3-M97 HydrophobicContact CB-CE 4.03Å; F3-M97 HydrophobicContact CB-SD 4.35Å; F3-M97 WeakPolarHBondContact O-CE 3.45Å; V4-M97 VanDerWaalsContact C-CE 3.42Å; V4-M97 CarbonylContact O-C 3.58Å; C5-M97 HydrophobicContact CB-CE 4.43Å; C5-M97 VanDerWaalsContact N-CE 3.32Å; V12-M97 HydrophobicContact CG2-CE 4.11Å; V12-M97 HydrophobicContact CG2-SD 4.43Å; C80-M97 VanDerWaalsContact C-SD 3.52Å; C80-M97 VanDerWaalsContact CA-SD 3.59Å; C80-M97 HydrophobicContact CB-CE 4.41Å; C80-M97 HydrophobicContact CB-SD 3.88Å; V93-M97 HydrophobicContact CG1-CB 4.09Å; V93-M97 HydrophobicContact CG1-CG 4.05Å; V93-M97 HydrophobicContact CG1-SD 3.35Å; V93-M97 WeakPolarHBondContact CG1-SD 3.3Å; G94-M97 WeakPolarHBondContact O-CB 3.49Å; G94-M97 PolarHBondContact O-N 2.99Å; T95-M97 VanDerWaalsContact C-N 3.28Å
98L94.6Very high91.9Very high50 Ų5054 Ų5426%0.26231%0.305SS..BIsolated β-bridgetrans-77.6133.3177.8-58173.3000109.7F3 V4 I104 L107F3-L98 CarbonylContact C-O 3.4Å; F3-L98 WeakPolarHBondContact CA-O 3.43Å; V4-L98 PolarHBondContact N-O 3.3Å; V4-L98 PolarHBondContact O-N 3.3Å; L98-I104 HydrophobicContact CB-CG1 4.25Å; L98-L107 HydrophobicContact CD1-CD1 3.21Å; L98-L107 HydrophobicContact CD1-CG 4.48Å
99H92.5Very high92.5Very high105 Ų10557 Ų5749%0.48631%0.309SS..  trans-124-12.2177.958.6-86.6000112.8L2 F3L2-H99 WeakPolarHBondContact O-CA 3.32Å; F3-H99 HydrophobicContact CD1-CB 3.75Å; F3-H99 HydrophobicContact CE1-CB 3.77Å
100D94.3Very high93.3Very high75 Ų7554.9 Ų54.940%0.40130%0.3SS..  trans-78.1121.4175.2177.428.2000110.5S102 A103 I104D100-S102 PolarHBondContact O-N 2.89Å; D100-S102 PolarHBondContact OD1-N 3.48Å; D100-S102 VanDerWaalsContact OD1-N 3.14Å; D100-S102 PolarHBondContact OD1-OG 3.34Å; D100-S102 PolarHBondContact OD2-OG 3.01Å; D100-A103 HydrophobicContact CB-CB 4.09Å; D100-A103 PolarHBondContact O-N 3.45Å; D100-A103 PolarHBondContact OD2-N 3.36Å; D100-I104 VanDerWaalsContact O-CG1 3.3Å; D100-I104 WeakPolarHBondContact O-CG1 3.33Å; D100-I104 PolarHBondContact O-N 2.77Å
101E95.5Very high93.9Very high164 Ų16459 Ų5977%0.76633%0.331SS*.Hα-helixtrans-61-34.1178.6-171.4172.3-173.400111.4I104 A105E101-I104 PolarHBondContact O-N 3.45Å; E101-A105 WeakPolarHBondContact O-CB 3.31Å; E101-A105 PolarHBondContact O-N 3.26Å
102S97.4Very high94.3Very high81 Ų8162.5 Ų62.557%0.56635%0.35SS*.Hα-helixtrans-68.3-42.6179.891.80000111.9D100 A105 A106D100-S102 PolarHBondContact O-N 2.89Å; D100-S102 PolarHBondContact OD1-N 3.48Å; D100-S102 VanDerWaalsContact OD1-N 3.14Å; D100-S102 PolarHBondContact OD1-OG 3.34Å; D100-S102 PolarHBondContact OD2-OG 3.01Å; S102-A105 PolarHBondContact O-N 3.29Å; S102-A106 WeakPolarHBondContact O-CB 3.47Å; S102-A106 PolarHBondContact O-N 2.71Å
103A96.9Very high94.8Very high33 Ų3365.2 Ų65.227%0.27336%0.36SS..Hα-helixtrans-64.3-40.6173.600000112.1D100 A106 L107D100-A103 HydrophobicContact CB-CB 4.09Å; D100-A103 PolarHBondContact O-N 3.45Å; D100-A103 PolarHBondContact OD2-N 3.36Å; A103-A106 PolarHBondContact O-N 3.22Å; A103-L107 WeakPolarHBondContact O-CG 3.45Å; A103-L107 PolarHBondContact O-N 3.07Å
104I96.9Very high95.1Very high14 Ų1466 Ų667%0.07237%0.366CS..Hα-helixtrans-63.6-43.9176.8-66.9163.3000110.7V4 L8 L98 D100 E101 L107 Q108V4-I104 HydrophobicContact CB-CD1 4.21Å; V4-I104 HydrophobicContact CB-CG1 4.44Å; V4-I104 HydrophobicContact CG2-CD1 3.71Å; V4-I104 HydrophobicContact CG2-CG1 4.36Å; L8-I104 HydrophobicContact CD2-CG2 4.19Å; L98-I104 HydrophobicContact CB-CG1 4.25Å; D100-I104 VanDerWaalsContact O-CG1 3.3Å; D100-I104 WeakPolarHBondContact O-CG1 3.33Å; D100-I104 PolarHBondContact O-N 2.77Å; E101-I104 PolarHBondContact O-N 3.45Å; I104-L107 PolarHBondContact O-N 3.36Å; I104-Q108 WeakPolarHBondContact O-CG 3.37Å; I104-Q108 PolarHBondContact O-N 3.27Å; I104-Q108 VanDerWaalsContact O-N 3.09Å
105A97.4Very high95.4Very high36 Ų3671.9 Ų71.930%0.29839%0.392SS..Hα-helixtrans-64.3-41.1176.800000112E101 S102 L107 Q108 Q109E101-A105 WeakPolarHBondContact O-CB 3.31Å; E101-A105 PolarHBondContact O-N 3.26Å; S102-A105 PolarHBondContact O-N 3.29Å; A105-L107 VanDerWaalsContact C-N 3.3Å; A105-L107 PolarHBondContact O-N 3.49Å; A105-Q108 PolarHBondContact O-N 3.42Å; A105-Q109 WeakPolarHBondContact O-CG 3.43Å; A105-Q109 PolarHBondContact O-N 3.48Å
106A97.9Very high95.7Very high59 Ų5972.6 Ų72.649%0.48839%0.394SS..Hα-helixtrans-60.7-39.1175.600000112.1S102 A103 Q109 S110S102-A106 WeakPolarHBondContact O-CB 3.47Å; S102-A106 PolarHBondContact O-N 2.71Å; A103-A106 PolarHBondContact O-N 3.22Å; A106-Q109 PolarHBondContact O-N 2.86Å; A106-S110 PolarHBondContact O-N 3.16Å
107L97Very high96Very high50 Ų5070.3 Ų70.326%0.26238%0.381SS..Hα-helixtrans-65.8-40174.9-76.4-177.7000112.9L8 L98 A103 I104 A105 Q109 S110 L120L8-L107 HydrophobicContact CD1-CB 4.26Å; L8-L107 HydrophobicContact CD2-CD1 4.24Å; L98-L107 HydrophobicContact CD1-CD1 3.21Å; L98-L107 HydrophobicContact CD1-CG 4.48Å; A103-L107 WeakPolarHBondContact O-CG 3.45Å; A103-L107 PolarHBondContact O-N 3.07Å; I104-L107 PolarHBondContact O-N 3.36Å; A105-L107 VanDerWaalsContact C-N 3.3Å; A105-L107 PolarHBondContact O-N 3.49Å; L107-Q109 PolarHBondContact O-N 3.38Å; L107-S110 VanDerWaalsContact O-CB 3.32Å; L107-S110 WeakPolarHBondContact O-CB 3.43Å; L107-S110 PolarHBondContact O-N 2.86Å; L107-S110 VanDerWaalsContact O-N 3.11Å; L107-S110 PolarHBondContact O-OG 2.68Å; L107-L120 HydrophobicContact CB-CD1 3.8Å; L107-L120 HydrophobicContact CD1-CD1 4.07Å; L107-L120 HydrophobicContact CD2-CD1 3.75Å; L107-L120 HydrophobicContact CG-CD1 4.07Å
108Q97.2Very high96.2Very high80 Ų8075.9 Ų75.937%0.37441%0.405SS..Hα-helixtrans-64.3-26176.1-69.8174.47.100113.1L8 I104 A105 S110 Y113L8-Q108 HydrophobicContact CD1-CG 3.69Å; I104-Q108 WeakPolarHBondContact O-CG 3.37Å; I104-Q108 PolarHBondContact O-N 3.27Å; I104-Q108 VanDerWaalsContact O-N 3.09Å; A105-Q108 PolarHBondContact O-N 3.42Å; Q108-S110 VanDerWaalsContact C-N 3.35Å; Q108-Y113 HydrophobicContact CG-CE2 4.17Å; Q108-Y113 VanDerWaalsContact O-CD1 3.28Å; Q108-Y113 WeakPolarHBondContact O-CD1 3.45Å
109Q97.4Very high96.3Very high164 Ų16473.5 Ų73.577%0.76639%0.393SS*.THydrogen-bonded Turntrans-87-4.3176.4-66.3174.314.700113.4A105 A106 L107A105-Q109 WeakPolarHBondContact O-CG 3.43Å; A105-Q109 PolarHBondContact O-N 3.48Å; A106-Q109 PolarHBondContact O-N 2.86Å; L107-Q109 PolarHBondContact O-N 3.38Å
110S97Very high96.5Very high32 Ų3269.4 Ų69.422%0.22437%0.374CS..SBendtrans-72.6151.4-178.276.60000111.6A106 L107 Q108 N112 Y113 L120A106-S110 PolarHBondContact O-N 3.16Å; L107-S110 VanDerWaalsContact O-CB 3.32Å; L107-S110 WeakPolarHBondContact O-CB 3.43Å; L107-S110 PolarHBondContact O-N 2.86Å; L107-S110 VanDerWaalsContact O-N 3.11Å; L107-S110 PolarHBondContact O-OG 2.68Å; Q108-S110 VanDerWaalsContact C-N 3.35Å; S110-N112 PolarHBondContact O-N 3.05Å; S110-N112 VanDerWaalsContact O-N 3.13Å; S110-Y113 VanDerWaalsContact O-CB 3.29Å; S110-Y113 WeakPolarHBondContact O-CB 3.4Å; S110-Y113 PolarHBondContact O-N 2.93Å; S110-Y113 VanDerWaalsContact O-N 3.07Å; S110-L120 WeakPolarHBondContact OG-CD2 3.38Å
111P95.8Very high96.5Very high130 Ų13069.4 Ų69.484%0.84437%0.374SS*.THydrogen-bonded Turntrans-65.7-17.9-176.926.5-36.1000113.9Y113P111-Y113 VanDerWaalsContact C-N 3.3Å
112N95Very high96.2Very high80 Ų8065 Ų6543%0.42836%0.36SS..THydrogen-bonded Turntrans-88.40.4178.8-64.3-27.3000112.7S110 S114 L120 L121S110-N112 PolarHBondContact O-N 3.05Å; S110-N112 VanDerWaalsContact O-N 3.13Å; N112-S114 PolarHBondContact O-N 2.94Å; N112-L120 HydrophobicContact CB-CD2 4.3Å; N112-L121 PolarHBondContact O-N 3.43Å
113Y97.4Very high95.7Very high58 Ų5866 Ų6623%0.22737%0.365CS..EExtended strand (participates in β ladder)trans-75.4117.2177.6-177.7-105.3000109.9L8 Q108 S110 P111 E115 K118 L120L8-Y113 HydrophobicContact CD1-CD2 4.02Å; L8-Y113 HydrophobicContact CD1-CE2 3.86Å; Q108-Y113 HydrophobicContact CG-CE2 4.17Å; Q108-Y113 VanDerWaalsContact O-CD1 3.28Å; Q108-Y113 WeakPolarHBondContact O-CD1 3.45Å; S110-Y113 VanDerWaalsContact O-CB 3.29Å; S110-Y113 WeakPolarHBondContact O-CB 3.4Å; S110-Y113 PolarHBondContact O-N 2.93Å; S110-Y113 VanDerWaalsContact O-N 3.07Å; P111-Y113 VanDerWaalsContact C-N 3.3Å; Y113-E115 PolarHBondContact O-N 3.28Å; Y113-K118 WeakPolarHBondContact OH-CA 3.35Å; Y113-K118 WeakPolarHBondContact OH-CB 3.38Å; Y113-L120 HydrophobicContact CD2-CD2 4.31Å; Y113-L120 HydrophobicContact CD2-CG 4.41Å
114S96.4Very high95Very high18 Ų1868.2 Ų68.213%0.12637%0.374CS..EExtended strand (participates in β ladder)trans-81.8113.8173.9-178.80000109.7N112 I116 Y117 K118 V119N112-S114 PolarHBondContact O-N 2.94Å; S114-I116 VanDerWaalsContact C-N 3.26Å; S114-I116 PolarHBondContact O-N 3.27Å; S114-Y117 WeakPolarHBondContact OG-CD2 3.32Å; S114-Y117 PolarHBondContact OG-N 2.68Å; S114-K118 WeakPolarHBondContact O-CA 3.49Å; S114-K118 PolarHBondContact O-N 3.02Å; S114-V119 WeakPolarHBondContact CB-O 3.43Å; S114-V119 PolarHBondContact N-O 2.88Å; S114-V119 PolarHBondContact O-N 3.34Å
115E95Very high94.2Very high129 Ų12970 Ų7060%0.60339%0.388SS*.THydrogen-bonded Turntrans-63-34.7174.7-171174.9-178.400112.3Y113 Y159Y113-E115 PolarHBondContact O-N 3.28Å; E115-Y159 HydrophobicContact CG-CE2 4.48Å
116I95.9Very high93.2Very high59 Ų5972.2 Ų72.230%0.30341%0.406SS..THydrogen-bonded Turntrans-62.2-53.2-179.4-56.5-179.4000110.8S114 A156 Y159S114-I116 VanDerWaalsContact C-N 3.26Å; S114-I116 PolarHBondContact O-N 3.27Å; I116-A156 HydrophobicContact CG2-CB 4.49Å; I116-Y159 HydrophobicContact CB-CD1 4.4Å; I116-Y159 HydrophobicContact CB-CD2 4.41Å; I116-Y159 HydrophobicContact CB-CG 4.27Å; I116-Y159 HydrophobicContact CD1-CD1 4.16Å; I116-Y159 HydrophobicContact CD1-CE1 4.22Å; I116-Y159 HydrophobicContact CG1-CD1 3.72Å; I116-Y159 HydrophobicContact CG1-CD2 4.34Å; I116-Y159 HydrophobicContact CG1-CE1 3.67Å; I116-Y159 HydrophobicContact CG1-CE2 4.29Å; I116-Y159 HydrophobicContact CG1-CG 4.08Å; I116-Y159 HydrophobicContact CG2-CD1 4.22Å; I116-Y159 HydrophobicContact CG2-CD2 4.39Å; I116-Y159 HydrophobicContact CG2-CG 3.92Å
117Y95.9Very high92.1Very high54 Ų5477 Ų7721%0.21242%0.418CS..THydrogen-bonded Turntrans-94.4-9.5-175.3-59.6-65.5000113L56 S114 V119 V152 V155 A156L56-Y117 HydrophobicContact CD2-CD1 4.04Å; S114-Y117 WeakPolarHBondContact OG-CD2 3.32Å; S114-Y117 PolarHBondContact OG-N 2.68Å; Y117-V119 VanDerWaalsContact C-N 3.25Å; Y117-V119 PolarHBondContact O-N 3.47Å; Y117-V152 HydrophobicContact CE1-CG1 3.73Å; Y117-V152 WeakPolarHBondContact OH-CG1 3.48Å; Y117-V155 HydrophobicContact CD1-CB 4.28Å; Y117-V155 HydrophobicContact CD1-CG1 3.73Å; Y117-V155 HydrophobicContact CE1-CB 4.18Å; Y117-V155 HydrophobicContact CE1-CG1 4.02Å; Y117-A156 HydrophobicContact CE1-CB 4.45Å
118K96.1Very high90.6Very high123 Ų12380.3 Ų80.354%0.53543%0.432SS..THydrogen-bonded Turntrans52.843-172.6-57.6-179.6-178.7-177.30111.4R55 Y113 S114R55-K118 WeakPolarHBondContact CD-O 3.38Å; R55-K118 PolarHBondContact NH1-O 3.09Å; Y113-K118 WeakPolarHBondContact OH-CA 3.35Å; Y113-K118 WeakPolarHBondContact OH-CB 3.38Å; S114-K118 WeakPolarHBondContact O-CA 3.49Å; S114-K118 PolarHBondContact O-N 3.02Å
119V96.6Very high89.1Confident0 Ų082.5 Ų82.50%044%0.443CS..EExtended strand (participates in β ladder)trans-137157.4177-63.70000109.8N9 R55 L56 S114 Y117 L121N9-V119 HydrophobicContact CB-CG1 4Å; R55-V119 HydrophobicContact CB-CG1 4Å; L56-V119 HydrophobicContact CD1-CG1 4.29Å; L56-V119 HydrophobicContact CD1-CG2 3.88Å; L56-V119 HydrophobicContact CG-CG1 4.44Å; S114-V119 WeakPolarHBondContact CB-O 3.43Å; S114-V119 PolarHBondContact N-O 2.88Å; S114-V119 PolarHBondContact O-N 3.34Å; Y117-V119 VanDerWaalsContact C-N 3.25Å; Y117-V119 PolarHBondContact O-N 3.47Å; V119-L121 HydrophobicContact CG2-CD2 4.07Å
120L97Very high87.5Confident18 Ų1879.1 Ų79.19%0.09444%0.437CS..EExtended strand (participates in β ladder)trans-81.2122.7168.5-70.6167.8000109.6P6 C7 L8 L107 S110 N112 Y113P6-L120 VanDerWaalsContact O-CD1 3.25Å; P6-L120 WeakPolarHBondContact O-CD1 3.29Å; C7-L120 HydrophobicContact CB-CB 4.36Å; C7-L120 PolarHBondContact O-N 3.38Å; L8-L120 HydrophobicContact CD1-CD1 4.37Å; L8-L120 HydrophobicContact CD1-CG 4.34Å; L8-L120 HydrophobicContact CG-CD1 4.26Å; L8-L120 HydrophobicContact CG-CG 4.47Å; L107-L120 HydrophobicContact CB-CD1 3.8Å; L107-L120 HydrophobicContact CD1-CD1 4.07Å; L107-L120 HydrophobicContact CD2-CD1 3.75Å; L107-L120 HydrophobicContact CG-CD1 4.07Å; S110-L120 WeakPolarHBondContact OG-CD2 3.38Å; N112-L120 HydrophobicContact CB-CD2 4.3Å; Y113-L120 HydrophobicContact CD2-CD2 4.31Å; Y113-L120 HydrophobicContact CD2-CG 4.41Å
121L94.6Very high85.8Confident75 Ų7584.1 Ų84.139%0.39346%0.461SS..PPolyproline II helixtrans-85.4137174.9-62176.6000109.1N112 V119N112-L121 PolarHBondContact O-N 3.43Å; V119-L121 HydrophobicContact CG2-CD2 4.07Å
122P90.2Very high83.9Confident72 Ų7279.5 Ų79.547%0.46844%0.437SS..PPolyproline II helixtrans-54.4141.9170.5-24.534000110.4V124P122-V124 PolarHBondContact O-N 2.88Å
123P85.8Confident82Confident103 Ų10380.1 Ų80.167%0.66945%0.448SS*.PPolyproline II helixtrans-59.9117.4176.425.3-32.8000108.7S125P123-S125 PolarHBondContact O-N 3.22Å; P123-S125 VanDerWaalsContact O-N 3.17Å
124V82.2Confident80.1Confident78 Ų7882.5 Ų82.547%0.47347%0.473SS..  trans-69.5114.3176.6-171.10000106.8P122 A126 Q128 Q129P122-V124 PolarHBondContact O-N 2.88Å; V124-A126 PolarHBondContact O-N 3Å; V124-Q128 HydrophobicContact CG1-CB 3.72Å; V124-Q129 HydrophobicContact CB-CG 4.07Å; V124-Q129 HydrophobicContact CG1-CG 3.5Å; V124-Q129 VanDerWaalsContact CG1-CG 3.5Å; V124-Q129 PolarHBondContact O-NE2 2.87Å
125S81.2Confident78Confident53 Ų5388.8 Ų88.837%0.37150%0.498SS..  trans-58.2143174.861.50000108.9P123 E127 Q128 Q129P123-S125 PolarHBondContact O-N 3.22Å; P123-S125 VanDerWaalsContact O-N 3.17Å; S125-E127 PolarHBondContact O-N 3.37Å; S125-Q128 PolarHBondContact O-N 3.32Å; S125-Q128 WeakPolarHBondContact OG-CG 3.45Å; S125-Q129 PolarHBondContact O-N 2.87Å
126A75.2Confident76.2Confident81 Ų8187.5 Ų87.567%0.66950%0.495SS*.Hα-helixtrans-54.4-29.1-179.400000112.3V124 Q129V124-A126 PolarHBondContact O-N 3Å; A126-Q129 PolarHBondContact O-N 3.23Å
127E74.4Confident74.3Confident159 Ų15992 Ų9274%0.74352%0.519SS*.Hα-helixtrans-65.5-33174.5-63.1179.2175.100113.4S125 S130S125-E127 PolarHBondContact O-N 3.37Å; E127-S130 PolarHBondContact O-OG 3.36Å
128Q67Low72.5Confident120 Ų12094.3 Ų94.356%0.56154%0.535SS*.Hα-helixtrans-78.9-28.2177.5-73.9174.4-12.100112.5V124 S125 G132V124-Q128 HydrophobicContact CG1-CB 3.72Å; S125-Q128 PolarHBondContact O-N 3.32Å; S125-Q128 WeakPolarHBondContact OG-CG 3.45Å; Q128-G132 PolarHBondContact O-N 2.94Å
129Q65.4Low70.7Confident127 Ų12793.6 Ų93.659%0.59353%0.53SS*.Hα-helixtrans-67-37179.5-66.1-176.518.900112.3V124 S125 A126 G132V124-Q129 HydrophobicContact CB-CG 4.07Å; V124-Q129 HydrophobicContact CG1-CG 3.5Å; V124-Q129 VanDerWaalsContact CG1-CG 3.5Å; V124-Q129 PolarHBondContact O-NE2 2.87Å; S125-Q129 PolarHBondContact O-N 2.87Å; A126-Q129 PolarHBondContact O-N 3.23Å; Q129-G132 PolarHBondContact O-N 3.49Å
130S63.4Low68.8Low92 Ų9297.5 Ų97.564%0.64356%0.557SS**Hα-helixtrans-72.2-28.3-179.161.30000113.5E127E127-S130 PolarHBondContact O-OG 3.36Å
131L60.7Low66.8Low137 Ų137104.7 Ų104.772%0.71759%0.588SS**Hα-helixtrans-83.5-25.5177.4-79.6153000113
132G56.1Low65Low34 Ų34103.5 Ų103.535%0.35158%0.584SS.*Hα-helixtrans-75.4-26.7-170.300000115.8Q128 Q129 S134Q128-G132 PolarHBondContact O-N 2.94Å; Q129-G132 PolarHBondContact O-N 3.49Å; G132-S134 PolarHBondContact O-N 3.37Å
133S56.1Low63.5Low93 Ų93103 Ų10365%0.6558%0.58SS**Hα-helixtrans-73.6-28.1-174.8-170.40000113.6
134S56.2Low62.1Low108 Ų108105.3 Ų105.376%0.75559%0.586SS**Hα-helixtrans-88.8-15.9-175.9-59.40000114G132G132-S134 PolarHBondContact O-N 3.37Å
135F54Low61.2Low150 Ų150104.6 Ų104.666%0.65860%0.595SS**Hα-helixtrans-96.9-8.8-178.4-151.8-96.3000113.2D137F135-D137 VanDerWaalsContact C-N 3.28Å; F135-D137 PolarHBondContact O-N 3.02Å
136L56.5Low60.7Low101 Ų101106.1 Ų106.153%0.52960%0.599SS.*G310 helixtrans-69.6-22.8-176.8-95.1161.6000113.8D138 Y139L136-D138 VanDerWaalsContact C-N 3.31Å; L136-D138 PolarHBondContact O-N 2.93Å; L136-Y139 HydrophobicContact CD2-CD2 3.79Å; L136-Y139 HydrophobicContact CD2-CE2 3.44Å; L136-Y139 VanDerWaalsContact CD2-CE2 3.44Å; L136-Y139 HydrophobicContact CG-CD2 4.43Å; L136-Y139 HydrophobicContact CG-CE2 4Å; L136-Y139 WeakPolarHBondContact O-CD2 3.35Å
137D56Low61.1Low154 Ų154107 Ų10782%0.82460%0.6SS**G310 helixtrans-75.1-18.6-177.8-72.4-21.7000113.6F135F135-D137 VanDerWaalsContact C-N 3.28Å; F135-D137 PolarHBondContact O-N 3.02Å
138D57.6Low61.6Low102 Ų102101.2 Ų101.255%0.54558%0.577SS.*G310 helixtrans-102.121.2-178-144.77.4000113.8L136 S140 F141L136-D138 VanDerWaalsContact C-N 3.31Å; L136-D138 PolarHBondContact O-N 2.93Å; D138-S140 PolarHBondContact O-N 2.82Å; D138-F141 PolarHBondContact O-N 2.74Å
139Y59.4Low62.4Low109 Ų10997.1 Ų97.143%0.42756%0.561SS.*THydrogen-bonded Turntrans-63.6-10.9179.1-99.4-102.6000114.2L136 F141 V142 T143 V149L136-Y139 HydrophobicContact CD2-CD2 3.79Å; L136-Y139 HydrophobicContact CD2-CE2 3.44Å; L136-Y139 VanDerWaalsContact CD2-CE2 3.44Å; L136-Y139 HydrophobicContact CG-CD2 4.43Å; L136-Y139 HydrophobicContact CG-CE2 4Å; L136-Y139 WeakPolarHBondContact O-CD2 3.35Å; Y139-F141 PolarHBondContact O-N 2.7Å; Y139-V142 PolarHBondContact O-N 3.48Å; Y139-T143 PolarHBondContact O-N 3.46Å; Y139-V149 HydrophobicContact CD1-CG1 4.44Å
140S56.2Low63.4Low82 Ų8293.9 Ų93.957%0.57355%0.549SS*.THydrogen-bonded Turntrans-58.2-32.7176.282.20000112.5D138 T143D138-S140 PolarHBondContact O-N 2.82Å; S140-T143 PolarHBondContact O-OG1 2.84Å
141F54.9Low64.6Low169 Ų16993.9 Ų93.974%0.74154%0.536SS*.THydrogen-bonded Turntrans-72.1-37.2179.8-175.1-100000112.3D138 Y139 T143D138-F141 PolarHBondContact O-N 2.74Å; Y139-F141 PolarHBondContact O-N 2.7Å; F141-T143 VanDerWaalsContact C-N 3.34Å; F141-T143 PolarHBondContact O-N 3.37Å
142V57.2Low66.1Low50 Ų5089 Ų8930%0.30351%0.512SS..G310 helixtrans-74.9-26.9-175.7-1720000111.7Y139 N144 V149Y139-V142 PolarHBondContact O-N 3.48Å; V142-N144 PolarHBondContact O-N 3.27Å; V142-V149 HydrophobicContact CG1-CG2 4.12Å
143T57.4Low67.7Low62 Ų6293.2 Ų93.238%0.3852%0.522SS..G310 helixtrans-70.8-13.9-177.950.20000114.8Y139 S140 F141 G145 V149Y139-T143 PolarHBondContact O-N 3.46Å; S140-T143 PolarHBondContact O-OG1 2.84Å; F141-T143 VanDerWaalsContact C-N 3.34Å; F141-T143 PolarHBondContact O-N 3.37Å; T143-G145 PolarHBondContact O-N 2.93Å; T143-V149 HydrophobicContact CG2-CG1 4.17Å
144N56.3Low69.5Low150 Ų15092.5 Ų92.580%0.80251%0.511SS*.G310 helixtrans-76.213.4-171.5-87.7-7.7000116.2V142V142-N144 PolarHBondContact O-N 3.27Å
145G64Low71.2Confident64 Ų6489 Ų8966%0.6649%0.485SS*.THydrogen-bonded Turntrans-174.3-14.8174.400000115.8T143 S147T143-G145 PolarHBondContact O-N 2.93Å; G145-S147 PolarHBondContact O-N 3.32Å
146N71.7Confident73.1Confident84 Ų8482.8 Ų82.845%0.44946%0.462SS..  trans-87.993-177.1-68-10.3000110.6S148 V149 T150N146-S148 PolarHBondContact O-N 3.27Å; N146-V149 HydrophobicContact CB-CB 4.34Å; N146-V149 HydrophobicContact CB-CG2 3.89Å; N146-V149 PolarHBondContact O-N 2.96Å; N146-T150 PolarHBondContact O-N 2.96Å
147S83.5Confident75Confident100 Ų10080.4 Ų80.470%0.69945%0.453SS*.Hα-helixtrans-52.4-28.2175.958.20000113.4G145 Y151G145-S147 PolarHBondContact O-N 3.32Å; S147-Y151 WeakPolarHBondContact O-CB 3.26Å; S147-Y151 PolarHBondContact O-N 3.5Å
148S83.9Confident76.9Confident37 Ų3778.3 Ų78.326%0.25944%0.442SS..Hα-helixtrans-65.6-42.7175.955.20000113.1N146 Y151 V152N146-S148 PolarHBondContact O-N 3.27Å; S148-Y151 WeakPolarHBondContact O-CB 3.31Å; S148-Y151 PolarHBondContact O-N 3.43Å; S148-V152 WeakPolarHBondContact O-CG2 3.46Å; S148-V152 PolarHBondContact O-N 3.41Å
149V84.4Confident78.7Confident35 Ų3575.5 Ų75.521%0.21242%0.424CS..Hα-helixtrans-68.5-44.8-179.5178.40000110.1Y139 V142 T143 N146 Y151 V152 H153Y139-V149 HydrophobicContact CD1-CG1 4.44Å; V142-V149 HydrophobicContact CG1-CG2 4.12Å; T143-V149 HydrophobicContact CG2-CG1 4.17Å; N146-V149 HydrophobicContact CB-CB 4.34Å; N146-V149 HydrophobicContact CB-CG2 3.89Å; N146-V149 PolarHBondContact O-N 2.96Å; V149-Y151 VanDerWaalsContact C-N 3.26Å; V149-Y151 PolarHBondContact O-N 3.49Å; V149-V152 PolarHBondContact O-N 2.91Å; V149-H153 WeakPolarHBondContact O-CB 3.37Å; V149-H153 PolarHBondContact O-N 3.16Å
150T86.2Confident80.5Confident58 Ų5875.6 Ų75.636%0.35643%0.432SS..Hα-helixtrans-59.5-39.5174.2-50.70000111.4N146 N154N146-T150 PolarHBondContact O-N 2.96Å; T150-N154 VanDerWaalsContact O-CB 3.31Å; T150-N154 WeakPolarHBondContact O-CB 3.35Å; T150-N154 PolarHBondContact O-N 3.27Å; T150-N154 PolarHBondContact O-ND2 2.77Å; T150-N154 PolarHBondContact O-OD1 2.71Å
151Y89.1Confident82.5Confident92 Ų9274 Ų7436%0.36142%0.419SS..Hα-helixtrans-62.5-49.6175.8-179.2-93.8000112R55 L56 P57 S147 S148 V149 H153 N154 V155R55-Y151 PolarHBondContact O-OH 3.05Å; L56-Y151 HydrophobicContact CD2-CD1 4.39Å; L56-Y151 HydrophobicContact CD2-CE1 3.95Å; P57-Y151 HydrophobicContact CG-CE1 4.35Å; S147-Y151 WeakPolarHBondContact O-CB 3.26Å; S147-Y151 PolarHBondContact O-N 3.5Å; S148-Y151 WeakPolarHBondContact O-CB 3.31Å; S148-Y151 PolarHBondContact O-N 3.43Å; V149-Y151 VanDerWaalsContact C-N 3.26Å; V149-Y151 PolarHBondContact O-N 3.49Å; Y151-H153 VanDerWaalsContact C-N 3.34Å; Y151-H153 PolarHBondContact O-N 2.76Å; Y151-N154 PolarHBondContact O-N 3.33Å; Y151-V155 HydrophobicContact CD1-CG2 4.07Å; Y151-V155 HydrophobicContact CE1-CG2 3.62Å; Y151-V155 HydrophobicContact CE2-CG2 4.25Å; Y151-V155 WeakPolarHBondContact O-CG2 3.37Å; Y151-V155 PolarHBondContact O-N 2.93Å
152V91.8Very high84.5Confident35 Ų3570.7 Ų70.721%0.21240%0.401CS..Hα-helixtrans-58-47.1177.7172.50000110.8F59 Y117 S148 V149 N154 V155 A156F59-V152 HydrophobicContact CE2-CG2 3.81Å; F59-V152 HydrophobicContact CZ-CG2 4.44Å; Y117-V152 HydrophobicContact CE1-CG1 3.73Å; Y117-V152 WeakPolarHBondContact OH-CG1 3.48Å; S148-V152 WeakPolarHBondContact O-CG2 3.46Å; S148-V152 PolarHBondContact O-N 3.41Å; V149-V152 PolarHBondContact O-N 2.91Å; V152-N154 PolarHBondContact O-N 3.02Å; V152-V155 PolarHBondContact O-N 3.43Å; V152-A156 PolarHBondContact O-N 3.48Å
153H90.1Very high86.4Confident122 Ų12271 Ų7157%0.56540%0.399SS*.Hα-helixtrans-59.5-44.3176.3179.5-86.4000112.2V149 Y151 A156 S157V149-H153 WeakPolarHBondContact O-CB 3.37Å; V149-H153 PolarHBondContact O-N 3.16Å; Y151-H153 VanDerWaalsContact C-N 3.34Å; Y151-H153 PolarHBondContact O-N 2.76Å; H153-A156 PolarHBondContact O-N 2.75Å; H153-S157 WeakPolarHBondContact O-CB 3.28Å; H153-S157 PolarHBondContact O-N 2.91Å
154N92.3Very high88.4Confident79 Ų7974.2 Ų74.242%0.42240%0.404SS..Hα-helixtrans-65-39.9178.6-72.1-13.5000112.2T150 Y151 V152 S157 N158T150-N154 VanDerWaalsContact O-CB 3.31Å; T150-N154 WeakPolarHBondContact O-CB 3.35Å; T150-N154 PolarHBondContact O-N 3.27Å; T150-N154 PolarHBondContact O-ND2 2.77Å; T150-N154 PolarHBondContact O-OD1 2.71Å; Y151-N154 PolarHBondContact O-N 3.33Å; V152-N154 PolarHBondContact O-N 3.02Å; N154-S157 PolarHBondContact O-N 3.5Å; N154-N158 VanDerWaalsContact O-CB 3.26Å; N154-N158 WeakPolarHBondContact O-CB 3.49Å; N154-N158 PolarHBondContact O-N 2.86Å; N154-N158 PolarHBondContact O-ND2 3.41Å
155V93.1Very high90.4Very high33 Ų3370.6 Ų70.620%0.239%0.385CS..Hα-helixtrans-61.5-46.4175.6172.80000110.5Y117 Y151 V152 Y159Y117-V155 HydrophobicContact CD1-CB 4.28Å; Y117-V155 HydrophobicContact CD1-CG1 3.73Å; Y117-V155 HydrophobicContact CE1-CB 4.18Å; Y117-V155 HydrophobicContact CE1-CG1 4.02Å; Y151-V155 HydrophobicContact CD1-CG2 4.07Å; Y151-V155 HydrophobicContact CE1-CG2 3.62Å; Y151-V155 HydrophobicContact CE2-CG2 4.25Å; Y151-V155 WeakPolarHBondContact O-CG2 3.37Å; Y151-V155 PolarHBondContact O-N 2.93Å; V152-V155 PolarHBondContact O-N 3.43Å; V155-Y159 WeakPolarHBondContact O-CB 3.43Å; V155-Y159 PolarHBondContact O-N 3.3Å
156A94.4Very high92Very high21 Ų2171.5 Ų71.517%0.17437%0.372CS..Hα-helixtrans-63-46.7176.600000112.5I116 Y117 V152 H153 N158 Y159 L160I116-A156 HydrophobicContact CG2-CB 4.49Å; Y117-A156 HydrophobicContact CE1-CB 4.45Å; V152-A156 PolarHBondContact O-N 3.48Å; H153-A156 PolarHBondContact O-N 2.75Å; A156-N158 PolarHBondContact O-N 3.19Å; A156-Y159 PolarHBondContact O-N 3.09Å; A156-L160 WeakPolarHBondContact O-CG 3.39Å; A156-L160 PolarHBondContact O-N 3.48Å
157S95Very high93.2Very high51 Ų5172 Ų7236%0.35737%0.373SS..Hα-helixtrans-62.1-42.5179.2-176.80000112.2H153 N154 L160 T161H153-S157 WeakPolarHBondContact O-CB 3.28Å; H153-S157 PolarHBondContact O-N 2.91Å; N154-S157 PolarHBondContact O-N 3.5Å; S157-L160 PolarHBondContact O-N 3.38Å; S157-T161 WeakPolarHBondContact O-CB 2.96Å; S157-T161 PolarHBondContact O-N 3.48Å; S157-T161 PolarHBondContact O-OG1 3.02Å
158N96Very high93.9Very high109 Ų10971.8 Ų71.858%0.58336%0.361SS*.Hα-helixtrans-64.5-42175.7-73-21.8000111.7N154 A156 T161 R162N154-N158 VanDerWaalsContact O-CB 3.26Å; N154-N158 WeakPolarHBondContact O-CB 3.49Å; N154-N158 PolarHBondContact O-N 2.86Å; N154-N158 PolarHBondContact O-ND2 3.41Å; A156-N158 PolarHBondContact O-N 3.19Å; N158-T161 PolarHBondContact O-N 3.22Å; N158-R162 WeakPolarHBondContact O-CB 3.29Å; N158-R162 PolarHBondContact O-N 3.41Å
159Y96.9Very high94.6Very high43 Ų4373.7 Ų73.717%0.16937%0.366CS..Hα-helixtrans-60.5-49.8176.1178-86.2000111.3E115 I116 V155 A156 T161 R162 E163E115-Y159 HydrophobicContact CG-CE2 4.48Å; I116-Y159 HydrophobicContact CB-CD1 4.4Å; I116-Y159 HydrophobicContact CB-CD2 4.41Å; I116-Y159 HydrophobicContact CB-CG 4.27Å; I116-Y159 HydrophobicContact CD1-CD1 4.16Å; I116-Y159 HydrophobicContact CD1-CE1 4.22Å; I116-Y159 HydrophobicContact CG1-CD1 3.72Å; I116-Y159 HydrophobicContact CG1-CD2 4.34Å; I116-Y159 HydrophobicContact CG1-CE1 3.67Å; I116-Y159 HydrophobicContact CG1-CE2 4.29Å; I116-Y159 HydrophobicContact CG1-CG 4.08Å; I116-Y159 HydrophobicContact CG2-CD1 4.22Å; I116-Y159 HydrophobicContact CG2-CD2 4.39Å; I116-Y159 HydrophobicContact CG2-CG 3.92Å; V155-Y159 WeakPolarHBondContact O-CB 3.43Å; V155-Y159 PolarHBondContact O-N 3.3Å; A156-Y159 PolarHBondContact O-N 3.09Å; Y159-T161 VanDerWaalsContact C-N 3.3Å; Y159-T161 PolarHBondContact O-N 3.41Å; Y159-R162 VanDerWaalsContact CD2-NH2 3.34Å; Y159-R162 PolarHBondContact O-N 2.95Å; Y159-E163 HydrophobicContact CD1-CG 4.05Å; Y159-E163 HydrophobicContact CE1-CG 3.57Å; Y159-E163 HydrophobicContact CE2-CG 4.49Å; Y159-E163 PolarHBondContact O-N 3.21Å
160L97Very high95.3Very high112 Ų11278.9 Ų78.959%0.58638%0.381SS*.Hα-helixtrans-62.5-37.7178.4-69.2174.1000112.4A156 S157 E163 R164A156-L160 WeakPolarHBondContact O-CG 3.39Å; A156-L160 PolarHBondContact O-N 3.48Å; S157-L160 PolarHBondContact O-N 3.38Å; L160-E163 PolarHBondContact O-N 3.04Å; L160-R164 WeakPolarHBondContact O-CB 3.41Å; L160-R164 PolarHBondContact O-N 3.19Å
161T97.1Very high95.9Very high49 Ų4980.4 Ų80.430%0.30139%0.387SS..Hα-helixtrans-63.1-46.6175.3-59.10000110.9S157 N158 Y159 R164 D165S157-T161 WeakPolarHBondContact O-CB 2.96Å; S157-T161 PolarHBondContact O-N 3.48Å; S157-T161 PolarHBondContact O-OG1 3.02Å; N158-T161 PolarHBondContact O-N 3.22Å; Y159-T161 VanDerWaalsContact C-N 3.3Å; Y159-T161 PolarHBondContact O-N 3.41Å; T161-R164 WeakPolarHBondContact O-CB 3.31Å; T161-R164 PolarHBondContact O-N 3.33Å; T161-D165 PolarHBondContact O-N 2.84Å
162R97.6Very high96.3Very high98 Ų9881.2 Ų81.237%0.3739%0.389SS..Hα-helixtrans-61.2-47176.3-177.7-17460.977.511.7111.8N158 Y159 R164 D165 E166N158-R162 WeakPolarHBondContact O-CB 3.29Å; N158-R162 PolarHBondContact O-N 3.41Å; Y159-R162 VanDerWaalsContact CD2-NH2 3.34Å; Y159-R162 PolarHBondContact O-N 2.95Å; R162-R164 VanDerWaalsContact C-N 3.32Å; R162-R164 PolarHBondContact O-N 3.48Å; R162-D165 PolarHBondContact O-N 3.24Å; R162-E166 HydrophobicContact CG-CG 4.46Å; R162-E166 VanDerWaalsContact CG-OE1 3.29Å; R162-E166 WeakPolarHBondContact CG-OE1 3.38Å; R162-E166 IonicContact CZ-OE1 2.83Å; R162-E166 VanDerWaalsContact NH1-CD 3.32Å; R162-E166 IonicContact NH1-OE1 3.9Å; R162-E166 PolarHBondContact NH1-OE1 2.86Å; R162-E166 IonicContact NH1-OE2 3.93Å; R162-E166 PolarHBondContact NH1-OE2 3.49Å; R162-E166 WeakPolarHBondContact O-CB 3.45Å; R162-E166 WeakPolarHBondContact O-CG 3.37Å; R162-E166 PolarHBondContact O-N 3.41Å
163E97.6Very high96.7Very high58 Ų5885.5 Ų85.527%0.27140%0.401SS..Hα-helixtrans-60.8-40.9177.2-74.8-59135.400112.1Y159 L160 E166 M167Y159-E163 HydrophobicContact CD1-CG 4.05Å; Y159-E163 HydrophobicContact CE1-CG 3.57Å; Y159-E163 HydrophobicContact CE2-CG 4.49Å; Y159-E163 PolarHBondContact O-N 3.21Å; L160-E163 PolarHBondContact O-N 3.04Å; E163-E166 PolarHBondContact O-N 2.85Å; E163-M167 VanDerWaalsContact O-CB 3.31Å; E163-M167 WeakPolarHBondContact O-CB 3.11Å; E163-M167 PolarHBondContact O-N 2.8Å
164R97.6Very high97.1Very high129 Ų12985.7 Ų85.749%0.48740%0.401SS..Hα-helixtrans-61-46.7173.8-177.9-158.266.6-160.4-2.5111.4L160 T161 R162 M167 E168L160-R164 WeakPolarHBondContact O-CB 3.41Å; L160-R164 PolarHBondContact O-N 3.19Å; T161-R164 WeakPolarHBondContact O-CB 3.31Å; T161-R164 PolarHBondContact O-N 3.33Å; R162-R164 VanDerWaalsContact C-N 3.32Å; R162-R164 PolarHBondContact O-N 3.48Å; R164-M167 PolarHBondContact O-N 3.45Å; R164-E168 PolarHBondContact O-N 3.39Å
165D98.3Very high97.4Very high73 Ų7386 Ų8639%0.3940%0.401SS..Hα-helixtrans-66.7-39.2-178.7-64.7-9.2000111.2T161 R162 E168 E169T161-D165 PolarHBondContact O-N 2.84Å; R162-D165 PolarHBondContact O-N 3.24Å; D165-E168 PolarHBondContact O-N 2.93Å; D165-E169 WeakPolarHBondContact O-CB 3.28Å; D165-E169 PolarHBondContact O-N 2.91Å
166E98.1Very high97.6Very high84 Ų8488.8 Ų88.839%0.39342%0.415SS..Hα-helixtrans-66-36.7173.9-74.4176.5-162.200112.5R162 E163 R170R162-E166 HydrophobicContact CG-CG 4.46Å; R162-E166 VanDerWaalsContact CG-OE1 3.29Å; R162-E166 WeakPolarHBondContact CG-OE1 3.38Å; R162-E166 IonicContact CZ-OE1 2.83Å; R162-E166 VanDerWaalsContact NH1-CD 3.32Å; R162-E166 IonicContact NH1-OE1 3.9Å; R162-E166 PolarHBondContact NH1-OE1 2.86Å; R162-E166 IonicContact NH1-OE2 3.93Å; R162-E166 PolarHBondContact NH1-OE2 3.49Å; R162-E166 WeakPolarHBondContact O-CB 3.45Å; R162-E166 WeakPolarHBondContact O-CG 3.37Å; R162-E166 PolarHBondContact O-N 3.41Å; E163-E166 PolarHBondContact O-N 2.85Å; E166-R170 WeakPolarHBondContact O-CG 3.03Å; E166-R170 PolarHBondContact O-N 3.31Å; E166-R170 VanDerWaalsContact O-N 3.09Å
167M98Very high97.8Very high95 Ų9592.8 Ų92.847%0.46843%0.43SS..Hα-helixtrans-67-45.3172.1180178.761.400111.8E163 R164 E169 R170 I171E163-M167 VanDerWaalsContact O-CB 3.31Å; E163-M167 WeakPolarHBondContact O-CB 3.11Å; E163-M167 PolarHBondContact O-N 2.8Å; R164-M167 PolarHBondContact O-N 3.45Å; M167-E169 VanDerWaalsContact C-N 3.3Å; M167-E169 PolarHBondContact O-N 3.36Å; M167-R170 WeakPolarHBondContact O-CB 3.25Å; M167-R170 PolarHBondContact O-N 2.74Å; M167-I171 HydrophobicContact CG-CD1 4.08Å; M167-I171 WeakPolarHBondContact O-CG1 3.46Å; M167-I171 PolarHBondContact O-N 2.89Å
168E98.4Very high98Very high95 Ų9593.9 Ų93.944%0.44443%0.43SS..Hα-helixtrans-60.3-41.1176.8-170.2-174.3154.100111.2R164 D165 I171 R172R164-E168 PolarHBondContact O-N 3.39Å; D165-E168 PolarHBondContact O-N 2.93Å; E168-I171 PolarHBondContact O-N 3.45Å; E168-R172 WeakPolarHBondContact O-CB 3.32Å; E168-R172 PolarHBondContact O-N 2.95Å; E168-R172 IonicContact OE1-CZ 3.22Å; E168-R172 IonicContact OE1-NH2 2.82Å; E168-R172 PolarHBondContact OE1-NH2 2.99Å
169E98.4Very high98.1Very high77 Ų7792.7 Ų92.736%0.3642%0.424SS..Hα-helixtrans-66.4-36.8176.5-174.357-153.100112.5D165 M167 R172 R173D165-E169 WeakPolarHBondContact O-CB 3.28Å; D165-E169 PolarHBondContact O-N 2.91Å; M167-E169 VanDerWaalsContact C-N 3.3Å; M167-E169 PolarHBondContact O-N 3.36Å; E169-R172 PolarHBondContact O-N 2.93Å; E169-R172 IonicContact OE2-CZ 3.73Å; E169-R172 IonicContact OE2-NH1 3.96Å; E169-R172 PolarHBondContact OE2-NH1 3.26Å; E169-R173 WeakPolarHBondContact O-CG 3.4Å; E169-R173 PolarHBondContact O-N 3.39Å; E169-R173 PolarHBondContact O-NE 2.95Å
170R98.6Very high98.2Very high143 Ų14394.6 Ų94.654%0.5444%0.439SS..Hα-helixtrans-62.4-44.6171.3-78.8-175.2-71.8157.4-6.5111.8E166 M167 R173 F174E166-R170 WeakPolarHBondContact O-CG 3.03Å; E166-R170 PolarHBondContact O-N 3.31Å; E166-R170 VanDerWaalsContact O-N 3.09Å; M167-R170 WeakPolarHBondContact O-CB 3.25Å; M167-R170 PolarHBondContact O-N 2.74Å; R170-R173 PolarHBondContact O-N 2.87Å; R170-F174 WeakPolarHBondContact O-CB 3.42Å; R170-F174 PolarHBondContact O-N 3.47Å
171I98.4Very high98.3Very high91 Ų9195.9 Ų95.947%0.46744%0.436SS..Hα-helixtrans-63-43.9177.3-67.6166.5000110.5M167 E168 F174 I175M167-I171 HydrophobicContact CG-CD1 4.08Å; M167-I171 WeakPolarHBondContact O-CG1 3.46Å; M167-I171 PolarHBondContact O-N 2.89Å; E168-I171 PolarHBondContact O-N 3.45Å; I171-F174 PolarHBondContact O-N 3.33Å; I171-I175 HydrophobicContact CG2-CD1 3.74Å; I171-I175 HydrophobicContact CG2-CG1 4.38Å; I171-I175 WeakPolarHBondContact O-CG1 3.19Å; I171-I175 PolarHBondContact O-N 2.94Å
172R98.6Very high98.3Very high109 Ų10999.8 Ų99.841%0.41145%0.45SS..Hα-helixtrans-59.3-49.1178.2-174179.4-66132.51.6111.7E168 E169 F174 I175 D176E168-R172 WeakPolarHBondContact O-CB 3.32Å; E168-R172 PolarHBondContact O-N 2.95Å; E168-R172 IonicContact OE1-CZ 3.22Å; E168-R172 IonicContact OE1-NH2 2.82Å; E168-R172 PolarHBondContact OE1-NH2 2.99Å; E169-R172 PolarHBondContact O-N 2.93Å; E169-R172 IonicContact OE2-CZ 3.73Å; E169-R172 IonicContact OE2-NH1 3.96Å; E169-R172 PolarHBondContact OE2-NH1 3.26Å; R172-F174 VanDerWaalsContact C-N 3.33Å; R172-F174 PolarHBondContact O-N 3.21Å; R172-I175 PolarHBondContact O-N 3.17Å; R172-D176 PolarHBondContact O-N 2.93Å
173R98.6Very high98.4Very high125 Ų12598.5 Ų98.547%0.47245%0.45SS..Hα-helixtrans-58.8-43.7176.1-74.9-175.1-73.7136.8-11.7112.2E169 R170 I175 D176 E177E169-R173 WeakPolarHBondContact O-CG 3.4Å; E169-R173 PolarHBondContact O-N 3.39Å; E169-R173 PolarHBondContact O-NE 2.95Å; R170-R173 PolarHBondContact O-N 2.87Å; R173-I175 PolarHBondContact O-N 3.05Å; R173-D176 PolarHBondContact O-N 3.04Å; R173-E177 WeakPolarHBondContact O-CB 3.47Å; R173-E177 VanDerWaalsContact O-CG 3.3Å; R173-E177 WeakPolarHBondContact O-CG 3.49Å; R173-E177 PolarHBondContact O-N 2.73Å
174F98.7Very high98.4Very high125 Ų125101 Ų10155%0.54846%0.462SS..Hα-helixtrans-62.3-43.3177.4-176.6-96.4000112.7R170 I171 R172 E177 E178R170-F174 WeakPolarHBondContact O-CB 3.42Å; R170-F174 PolarHBondContact O-N 3.47Å; I171-F174 PolarHBondContact O-N 3.33Å; R172-F174 VanDerWaalsContact C-N 3.33Å; R172-F174 PolarHBondContact O-N 3.21Å; F174-E177 PolarHBondContact O-N 3.3Å; F174-E178 HydrophobicContact CD1-CG 4.39Å; F174-E178 HydrophobicContact CE1-CG 3.89Å; F174-E178 HydrophobicContact CE2-CG 4.37Å; F174-E178 HydrophobicContact CZ-CG 3.88Å; F174-E178 PolarHBondContact O-N 2.82Å
175I98.3Very high98.5Very high85 Ų85101.4 Ų101.444%0.43647%0.467SS..Hα-helixtrans-63.3-43.4176.4-69.6168.2000110.9I171 R172 R173 E178 N179I171-I175 HydrophobicContact CG2-CD1 3.74Å; I171-I175 HydrophobicContact CG2-CG1 4.38Å; I171-I175 WeakPolarHBondContact O-CG1 3.19Å; I171-I175 PolarHBondContact O-N 2.94Å; R172-I175 PolarHBondContact O-N 3.17Å; R173-I175 PolarHBondContact O-N 3.05Å; I175-E178 PolarHBondContact O-N 3.13Å; I175-N179 WeakPolarHBondContact CG2-ND2 3.3Å; I175-N179 WeakPolarHBondContact O-CB 3.44Å; I175-N179 PolarHBondContact O-N 3.06Å; I175-N179 PolarHBondContact O-ND2 3.45Å; I175-N179 VanDerWaalsContact O-ND2 3.09Å
176D98.5Very high98.5Very high92 Ų92103.7 Ų103.749%0.49247%0.47SS..Hα-helixtrans-64-42.8178-72.2-18.8000111.4R172 R173 N179 V180R172-D176 PolarHBondContact O-N 2.93Å; R173-D176 PolarHBondContact O-N 3.04Å; D176-N179 PolarHBondContact O-N 3.01Å; D176-V180 WeakPolarHBondContact O-CG2 3.42Å; D176-V180 PolarHBondContact O-N 3.32Å
177E98.8Very high98.5Very high105 Ų105104.3 Ų104.349%0.49148%0.479SS..Hα-helixtrans-60.8-46.1174.6-75.1171.8-160.200112.3R173 F174 V180 R181R173-E177 WeakPolarHBondContact O-CB 3.47Å; R173-E177 VanDerWaalsContact O-CG 3.3Å; R173-E177 WeakPolarHBondContact O-CG 3.49Å; R173-E177 PolarHBondContact O-N 2.73Å; F174-E177 PolarHBondContact O-N 3.3Å; E177-V180 PolarHBondContact O-N 2.93Å; E177-R181 WeakPolarHBondContact O-CG 3.36Å; E177-R181 PolarHBondContact O-N 3.26Å
178E98.5Very high98.5Very high75 Ų75106.5 Ų106.535%0.3548%0.482SS..Hα-helixtrans-67.8-36177.6-78-61.2126.900112.4F174 I175 R181 F182F174-E178 HydrophobicContact CD1-CG 4.39Å; F174-E178 HydrophobicContact CE1-CG 3.89Å; F174-E178 HydrophobicContact CE2-CG 4.37Å; F174-E178 HydrophobicContact CZ-CG 3.88Å; F174-E178 PolarHBondContact O-N 2.82Å; I175-E178 PolarHBondContact O-N 3.13Å; E178-R181 PolarHBondContact O-N 2.99Å; E178-R181 WeakPolarHBondContact OE1-CD 3.38Å; E178-R181 IonicContact OE1-CZ 3.53Å; E178-R181 IonicContact OE1-NE 2.71Å; E178-R181 IonicContact OE1-NH1 3.24Å; E178-R181 PolarHBondContact OE1-NH1 2.99Å; E178-F182 WeakPolarHBondContact O-CB 3.4Å; E178-F182 PolarHBondContact O-N 3.26Å
179N98.1Very high98.6Very high84 Ų84104.6 Ų104.645%0.44948%0.482SS..Hα-helixtrans-62.7-43.5173.4-76.1-32.7000111.7I175 D176 F182 D183I175-N179 WeakPolarHBondContact CG2-ND2 3.3Å; I175-N179 WeakPolarHBondContact O-CB 3.44Å; I175-N179 PolarHBondContact O-N 3.06Å; I175-N179 PolarHBondContact O-ND2 3.45Å; I175-N179 VanDerWaalsContact O-ND2 3.09Å; D176-N179 PolarHBondContact O-N 3.01Å; N179-F182 PolarHBondContact O-N 3.4Å; N179-D183 WeakPolarHBondContact O-CB 3.34Å; N179-D183 PolarHBondContact O-N 2.9Å
180V98.7Very high98.6Very high83 Ų83107.3 Ų107.350%0.50349%0.493SS..Hα-helixtrans-60.9-47.7175.3170.70000110.6D176 E177 F182 D183 E184D176-V180 WeakPolarHBondContact O-CG2 3.42Å; D176-V180 PolarHBondContact O-N 3.32Å; E177-V180 PolarHBondContact O-N 2.93Å; V180-F182 VanDerWaalsContact C-N 3.31Å; V180-F182 PolarHBondContact O-N 3.36Å; V180-D183 PolarHBondContact O-N 3.29Å; V180-E184 WeakPolarHBondContact O-CG 3.45Å; V180-E184 PolarHBondContact O-N 3.43Å
181R98.5Very high98.6Very high138 Ų138103.8 Ų103.852%0.52149%0.49SS..Hα-helixtrans-59.5-40.1176.4-75175.7172.7179.10.4112.7E177 E178 K185E177-R181 WeakPolarHBondContact O-CG 3.36Å; E177-R181 PolarHBondContact O-N 3.26Å; E178-R181 PolarHBondContact O-N 2.99Å; E178-R181 WeakPolarHBondContact OE1-CD 3.38Å; E178-R181 IonicContact OE1-CZ 3.53Å; E178-R181 IonicContact OE1-NE 2.71Å; E178-R181 IonicContact OE1-NH1 3.24Å; E178-R181 PolarHBondContact OE1-NH1 2.99Å; R181-K185 WeakPolarHBondContact O-CG 3.18Å; R181-K185 PolarHBondContact O-N 3.05Å; R181-K185 VanDerWaalsContact O-N 3.16Å
182F98.6Very high98.6Very high132 Ų132104.4 Ų104.458%0.57949%0.492SS*.Hα-helixtrans-67-43.4176.9179.6-100.5000111.6E178 N179 V180 E184 K185 R186E178-F182 WeakPolarHBondContact O-CB 3.4Å; E178-F182 PolarHBondContact O-N 3.26Å; N179-F182 PolarHBondContact O-N 3.4Å; V180-F182 VanDerWaalsContact C-N 3.31Å; V180-F182 PolarHBondContact O-N 3.36Å; F182-E184 PolarHBondContact O-N 3.3Å; F182-K185 PolarHBondContact O-N 3.03Å; F182-R186 WeakPolarHBondContact O-CB 3.35Å; F182-R186 PolarHBondContact O-N 2.89Å
183D98.5Very high98.6Very high70 Ų70107.7 Ų107.737%0.37450%0.504SS..Hα-helixtrans-63.2-40.8176.9-88.9-31.3000112.4N179 V180 K185 R186 V187N179-D183 WeakPolarHBondContact O-CB 3.34Å; N179-D183 PolarHBondContact O-N 2.9Å; V180-D183 PolarHBondContact O-N 3.29Å; D183-K185 PolarHBondContact O-N 3.2Å; D183-R186 PolarHBondContact O-N 3.18Å; D183-R186 IonicContact OD1-CZ 2.77Å; D183-R186 VanDerWaalsContact OD1-CZ 3.24Å; D183-R186 IonicContact OD1-NE 3.02Å; D183-R186 PolarHBondContact OD1-NE 2.84Å; D183-R186 IonicContact OD1-NH2 3.45Å; D183-R186 PolarHBondContact OD1-NH2 3.37Å; D183-V187 WeakPolarHBondContact O-CG2 3.43Å; D183-V187 PolarHBondContact O-N 3.43Å
184E98.7Very high98.6Very high112 Ų112104.6 Ų104.652%0.52351%0.505SS..Hα-helixtrans-58.3-47.2172.9-74.4176.4177.100111.8V180 F182 R186 V187 R188V180-E184 WeakPolarHBondContact O-CG 3.45Å; V180-E184 PolarHBondContact O-N 3.43Å; F182-E184 PolarHBondContact O-N 3.3Å; E184-R186 VanDerWaalsContact C-N 3.34Å; E184-R186 PolarHBondContact O-N 3.41Å; E184-V187 PolarHBondContact O-N 3.43Å; E184-R188 WeakPolarHBondContact O-CB 3.29Å; E184-R188 PolarHBondContact O-N 3.43Å
185K98.6Very high98.6Very high137 Ų137102.7 Ų102.760%0.59650%0.5SS*.Hα-helixtrans-62.7-40.9176-73.4175.5-178.5175.20111.7R181 F182 D183 R188 A189R181-K185 WeakPolarHBondContact O-CG 3.18Å; R181-K185 PolarHBondContact O-N 3.05Å; R181-K185 VanDerWaalsContact O-N 3.16Å; F182-K185 PolarHBondContact O-N 3.03Å; D183-K185 PolarHBondContact O-N 3.2Å; K185-R188 PolarHBondContact O-N 2.78Å; K185-A189 WeakPolarHBondContact O-CB 3.43Å; K185-A189 PolarHBondContact O-N 3.46Å
186R98.6Very high98.6Very high121 Ų121103.9 Ų103.946%0.45751%0.506SS..Hα-helixtrans-64.2-43.8178.4-173.817766.2148.3-2.6111.8F182 D183 E184 K190F182-R186 WeakPolarHBondContact O-CB 3.35Å; F182-R186 PolarHBondContact O-N 2.89Å; D183-R186 PolarHBondContact O-N 3.18Å; D183-R186 IonicContact OD1-CZ 2.77Å; D183-R186 VanDerWaalsContact OD1-CZ 3.24Å; D183-R186 IonicContact OD1-NE 3.02Å; D183-R186 PolarHBondContact OD1-NE 2.84Å; D183-R186 IonicContact OD1-NH2 3.45Å; D183-R186 PolarHBondContact OD1-NH2 3.37Å; E184-R186 VanDerWaalsContact C-N 3.34Å; E184-R186 PolarHBondContact O-N 3.41Å; R186-K190 WeakPolarHBondContact O-CG 3.35Å; R186-K190 PolarHBondContact O-N 3.04Å; R186-K190 VanDerWaalsContact O-N 3.07Å
187V98.7Very high98.5Very high96 Ų96104.1 Ų104.158%0.58251%0.507SS*.Hα-helixtrans-64.7-44.4175.5171.60000110.5D183 E184 K190 S191D183-V187 WeakPolarHBondContact O-CG2 3.43Å; D183-V187 PolarHBondContact O-N 3.43Å; E184-V187 PolarHBondContact O-N 3.43Å; V187-K190 PolarHBondContact O-N 3.07Å; V187-S191 PolarHBondContact O-N 3.32Å
188R98.7Very high98.4Very high142 Ų142106 Ų10654%0.53652%0.516SS..Hα-helixtrans-58.3-52175.9-174179.2-60.8151.95.3111.8E184 K185 K190 S191 E192E184-R188 WeakPolarHBondContact O-CB 3.29Å; E184-R188 PolarHBondContact O-N 3.43Å; K185-R188 PolarHBondContact O-N 2.78Å; R188-K190 VanDerWaalsContact C-N 3.29Å; R188-K190 PolarHBondContact O-N 2.76Å; R188-S191 PolarHBondContact O-N 3.17Å; R188-S191 PolarHBondContact O-OG 3.37Å; R188-E192 HydrophobicContact CG-CG 4.4Å; R188-E192 VanDerWaalsContact CG-OE1 3.31Å; R188-E192 WeakPolarHBondContact CG-OE1 3.49Å; R188-E192 WeakPolarHBondContact O-CG 3.44Å; R188-E192 PolarHBondContact O-N 3.16Å
189A98.7Very high98.4Very high54 Ų54109.5 Ų109.545%0.44653%0.527SS..Hα-helixtrans-58.8-38.9178.500000112.4K185 R193K185-A189 WeakPolarHBondContact O-CB 3.43Å; K185-A189 PolarHBondContact O-N 3.46Å; A189-R193 WeakPolarHBondContact O-CB 3.26Å; A189-R193 PolarHBondContact O-N 3.2Å
190K98.5Very high98.3Very high134 Ų134111.4 Ų111.458%0.58354%0.536SS*.Hα-helixtrans-65-42.5173.8-75.8-179.9178.1-172.80112.3R186 V187 R188 R193 A194R186-K190 WeakPolarHBondContact O-CG 3.35Å; R186-K190 PolarHBondContact O-N 3.04Å; R186-K190 VanDerWaalsContact O-N 3.07Å; V187-K190 PolarHBondContact O-N 3.07Å; R188-K190 VanDerWaalsContact C-N 3.29Å; R188-K190 PolarHBondContact O-N 2.76Å; K190-R193 PolarHBondContact O-N 3.42Å; K190-A194 WeakPolarHBondContact O-CB 3.1Å; K190-A194 PolarHBondContact O-N 3.32Å
191S98.6Very high98.1Very high69 Ų69110.5 Ų110.548%0.48354%0.538SS..Hα-helixtrans-65.2-41.3177.971.90000112.2V187 R188 A194 L195V187-S191 PolarHBondContact O-N 3.32Å; R188-S191 PolarHBondContact O-N 3.17Å; R188-S191 PolarHBondContact O-OG 3.37Å; S191-A194 PolarHBondContact O-N 3.2Å; S191-L195 WeakPolarHBondContact O-CB 3.47Å; S191-L195 PolarHBondContact O-N 3.04Å
192E98.7Very high97.9Very high105 Ų105106.1 Ų106.149%0.49153%0.531SS..Hα-helixtrans-66.1-43.7176.3-71.2170.317800111.1R188 A194 L195 L196R188-E192 HydrophobicContact CG-CG 4.4Å; R188-E192 VanDerWaalsContact CG-OE1 3.31Å; R188-E192 WeakPolarHBondContact CG-OE1 3.49Å; R188-E192 WeakPolarHBondContact O-CG 3.44Å; R188-E192 PolarHBondContact O-N 3.16Å; E192-A194 PolarHBondContact O-N 3.21Å; E192-L195 PolarHBondContact O-N 2.8Å; E192-L196 WeakPolarHBondContact O-CG 3.21Å; E192-L196 PolarHBondContact O-N 3.33Å
193R98.6Very high97.7Very high178 Ų178104 Ų10467%0.67253%0.529SS*.Hα-helixtrans-57.9-45.9173.2179.3-178.5173-176.2-1.2111.8A189 K190 L195 L196 L197A189-R193 WeakPolarHBondContact O-CB 3.26Å; A189-R193 PolarHBondContact O-N 3.2Å; K190-R193 PolarHBondContact O-N 3.42Å; R193-L195 VanDerWaalsContact C-N 3.33Å; R193-L195 PolarHBondContact O-N 3.2Å; R193-L196 PolarHBondContact O-N 3.37Å; R193-L197 HydrophobicContact CG-CD1 4.26Å; R193-L197 WeakPolarHBondContact O-CG 3.45Å; R193-L197 PolarHBondContact O-N 3.48Å
194A98.4Very high97.3Very high59 Ų59102.5 Ų102.549%0.48853%0.529SS..Hα-helixtrans-62.5-41.3179.100000111.9K190 S191 E192 L197 Q198K190-A194 WeakPolarHBondContact O-CB 3.1Å; K190-A194 PolarHBondContact O-N 3.32Å; S191-A194 PolarHBondContact O-N 3.2Å; E192-A194 PolarHBondContact O-N 3.21Å; A194-L197 PolarHBondContact O-N 2.87Å; A194-Q198 PolarHBondContact O-N 3.24Å
195L98.4Very high96.7Very high86 Ų86101.2 Ų101.245%0.4553%0.529SS..Hα-helixtrans-63.9-43.8175.5175.4144.9000111.8S191 E192 R193 L197 Q198 Y199S191-L195 WeakPolarHBondContact O-CB 3.47Å; S191-L195 PolarHBondContact O-N 3.04Å; E192-L195 PolarHBondContact O-N 2.8Å; R193-L195 VanDerWaalsContact C-N 3.33Å; R193-L195 PolarHBondContact O-N 3.2Å; L195-L197 PolarHBondContact O-N 3.12Å; L195-Q198 WeakPolarHBondContact O-CB 3.36Å; L195-Q198 PolarHBondContact O-N 3.09Å; L195-Y199 HydrophobicContact CD1-CE2 4.33Å; L195-Y199 HydrophobicContact CD2-CD2 3.66Å; L195-Y199 HydrophobicContact CD2-CE2 3.45Å; L195-Y199 VanDerWaalsContact CD2-CE2 3.45Å; L195-Y199 HydrophobicContact CG-CD2 3.97Å; L195-Y199 HydrophobicContact CG-CE2 3.67Å; L195-Y199 WeakPolarHBondContact O-CD2 3.4Å; L195-Y199 PolarHBondContact O-N 3.11Å
196L98.2Very high95.8Very high109 Ų109100.3 Ų100.357%0.57153%0.531SS*.Hα-helixtrans-60.8-43.3175.1-73.3172.3000112.4E192 R193 Q198 Y199 L200E192-L196 WeakPolarHBondContact O-CG 3.21Å; E192-L196 PolarHBondContact O-N 3.33Å; R193-L196 PolarHBondContact O-N 3.37Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.21Å; L196-Y199 PolarHBondContact O-N 3.32Å; L196-L200 WeakPolarHBondContact O-CG 3.2Å; L196-L200 PolarHBondContact O-N 3.04Å
197L97.4Very high94.8Very high97 Ų9798.8 Ų98.851%0.50854%0.536SS..Hα-helixtrans-63-39.5175.8-70.7171.9000111.9R193 A194 L195 L200 A201R193-L197 HydrophobicContact CG-CD1 4.26Å; R193-L197 WeakPolarHBondContact O-CG 3.45Å; R193-L197 PolarHBondContact O-N 3.48Å; A194-L197 PolarHBondContact O-N 2.87Å; L195-L197 PolarHBondContact O-N 3.12Å; L197-L200 PolarHBondContact O-N 3.4Å; L197-A201 PolarHBondContact O-N 2.62Å
198Q97.1Very high93.5Very high144 Ų14497.8 Ų97.867%0.67353%0.533SS*.Hα-helixtrans-63.4-41.2175.1-172.6-179.814.100112.1A194 L195 L196 A201 A202A194-Q198 PolarHBondContact O-N 3.24Å; L195-Q198 WeakPolarHBondContact O-CB 3.36Å; L195-Q198 PolarHBondContact O-N 3.09Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.21Å; Q198-A201 PolarHBondContact O-N 2.96Å; Q198-A202 PolarHBondContact O-N 3.17Å
199Y97.1Very high92Very high150 Ų15094.2 Ų94.259%0.58853%0.534SS*.Hα-helixtrans-62.6-44.6174.5-84.4-69.4000112.1L195 L196 A201 A202 V203L195-Y199 HydrophobicContact CD1-CE2 4.33Å; L195-Y199 HydrophobicContact CD2-CD2 3.66Å; L195-Y199 HydrophobicContact CD2-CE2 3.45Å; L195-Y199 VanDerWaalsContact CD2-CE2 3.45Å; L195-Y199 HydrophobicContact CG-CD2 3.97Å; L195-Y199 HydrophobicContact CG-CE2 3.67Å; L195-Y199 WeakPolarHBondContact O-CD2 3.4Å; L195-Y199 PolarHBondContact O-N 3.11Å; L196-Y199 PolarHBondContact O-N 3.32Å; Y199-A201 VanDerWaalsContact C-N 3.34Å; Y199-A201 PolarHBondContact O-N 2.88Å; Y199-A202 PolarHBondContact O-N 2.81Å; Y199-V203 VanDerWaalsContact O-CG2 3.32Å; Y199-V203 WeakPolarHBondContact O-CG2 3.39Å; Y199-V203 PolarHBondContact O-N 3.5Å
200L96.5Very high90.4Very high123 Ų12395.5 Ų95.564%0.64454%0.544SS*.Hα-helixtrans-61-42.6177.1-71.8173000111.9L196 L197 V203 G204L196-L200 WeakPolarHBondContact O-CG 3.2Å; L196-L200 PolarHBondContact O-N 3.04Å; L197-L200 PolarHBondContact O-N 3.4Å; L200-V203 PolarHBondContact O-N 3.38Å; L200-G204 PolarHBondContact O-N 2.96Å; L200-G204 VanDerWaalsContact O-N 3.07Å
201A95.3Very high88.8Confident64 Ų6497.3 Ų97.353%0.52956%0.555SS.*Hα-helixtrans-62-43.5176.100000112.2L197 Q198 Y199 G204 T205L197-A201 PolarHBondContact O-N 2.62Å; Q198-A201 PolarHBondContact O-N 2.96Å; Y199-A201 VanDerWaalsContact C-N 3.34Å; Y199-A201 PolarHBondContact O-N 2.88Å; A201-G204 PolarHBondContact O-N 3.24Å; A201-T205 PolarHBondContact O-N 3.35Å; A201-T205 PolarHBondContact O-OG1 3.35Å
202A94.1Very high87.1Confident46 Ų46103.2 Ų103.238%0.3857%0.572SS.*Hα-helixtrans-66.6-36.4178.500000113.1Q198 Y199 T205 N206Q198-A202 PolarHBondContact O-N 3.17Å; Y199-A202 PolarHBondContact O-N 2.81Å; A202-T205 PolarHBondContact O-OG1 3.41Å; A202-N206 PolarHBondContact O-N 3.33Å; A202-N206 PolarHBondContact O-ND2 3.32Å
203V93.7Very high85.3Confident89 Ų89109.3 Ų109.354%0.53959%0.59SS.*Hα-helixtrans-65.2-44.4175172.10000110.5Y199 L200 T205 N206 T207Y199-V203 VanDerWaalsContact O-CG2 3.32Å; Y199-V203 WeakPolarHBondContact O-CG2 3.39Å; Y199-V203 PolarHBondContact O-N 3.5Å; L200-V203 PolarHBondContact O-N 3.38Å; V203-T205 VanDerWaalsContact C-N 3.32Å; V203-T205 PolarHBondContact O-N 3.16Å; V203-N206 PolarHBondContact O-N 2.79Å; V203-T207 PolarHBondContact O-N 3.38Å; V203-T207 PolarHBondContact O-OG1 2.87Å
204G90.1Very high83.7Confident37 Ų37108 Ų10838%0.38160%0.597SS.*Hα-helixtrans-61.6-35.6178.600000113.9L200 A201 T207L200-G204 PolarHBondContact O-N 2.96Å; L200-G204 VanDerWaalsContact O-N 3.07Å; A201-G204 PolarHBondContact O-N 3.24Å; G204-T207 PolarHBondContact O-OG1 2.84Å
205T86Confident82Confident85 Ų85114.6 Ų114.652%0.52162%0.617SS.*Hα-helixtrans-70.7-31.9176.650.10000113.5A201 A202 V203 S208 A209A201-T205 PolarHBondContact O-N 3.35Å; A201-T205 PolarHBondContact O-OG1 3.35Å; A202-T205 PolarHBondContact O-OG1 3.41Å; V203-T205 VanDerWaalsContact C-N 3.32Å; V203-T205 PolarHBondContact O-N 3.16Å; T205-S208 PolarHBondContact O-OG 3.07Å; T205-A209 PolarHBondContact O-N 3.44Å
206N80.7Confident80.2Confident118 Ų118114.2 Ų114.263%0.63163%0.634SS**Hα-helixtrans-76-30.5-179.3-70.8-27.6000112.2A202 V203A202-N206 PolarHBondContact O-N 3.33Å; A202-N206 PolarHBondContact O-ND2 3.32Å; V203-N206 PolarHBondContact O-N 2.79Å
207T77.3Confident78.3Confident90 Ų90118.4 Ų118.455%0.55265%0.651SS**Hα-helixtrans-71.4-40.5177.244.80000112.3V203 G204 A209V203-T207 PolarHBondContact O-N 3.38Å; V203-T207 PolarHBondContact O-OG1 2.87Å; G204-T207 PolarHBondContact O-OG1 2.84Å; T207-A209 PolarHBondContact O-N 3.05Å
208S72Confident76.8Confident74 Ų74123.3 Ų123.352%0.51767%0.671SS.*Hα-helixtrans-74.1-25.6-178.958.60000114.2T205 A210T205-S208 PolarHBondContact O-OG 3.07Å; S208-A210 VanDerWaalsContact C-N 3.35Å
209A67Low75Confident68 Ų68125.3 Ų125.356%0.56268%0.68SS**Hα-helixtrans-77.2-21.1179.700000113.2T205 T207T205-A209 PolarHBondContact O-N 3.44Å; T207-A209 PolarHBondContact O-N 3.05Å
210A64.7Low73.4Confident80 Ų80128 Ų12866%0.66169%0.691SS**Hα-helixtrans-80.6-28.2179.400000113.2S208S208-A210 VanDerWaalsContact C-N 3.35Å
211E64.7Low71.4Confident173 Ų173126.1 Ų126.181%0.80869%0.688SS**Hα-helixtrans-82.5-19.1-178.6-83.2-177150.200114.5R213E211-R213 PolarHBondContact O-N 3.36Å
212K62.9Low69.4Low192 Ų192130 Ų13084%0.83570%0.7SS**THydrogen-bonded Turntrans-87.819.2-173.8-91.1-171.2177.3-176.40116.3
213R61.8Low67.6Low234 Ų234132.3 Ų132.388%0.88371%0.713SS**THydrogen-bonded Turntrans-100.87.5-178-88-167.9-178.8-174.61.9116.3E211E211-R213 PolarHBondContact O-N 3.36Å
214D63.1Low65.5Low151 Ų151132.3 Ų132.381%0.80772%0.722SS**SBendtrans-141.339.6-172-158.730.7000115.6
215E64.4Low64Low197 Ų197138.5 Ų138.592%0.92175%0.745SS**  trans-140.399.4164.7-69.1-165169.200111.6
216G60.8Low62.2Low78 Ų78139.7 Ų139.780%0.80476%0.757SS**  62.699.812200000117.9E218G216-E218 PolarHBondContact O-N 3.32Å
217E58.3Low61.2Low196 Ų196139.7 Ų139.792%0.91676%0.763SS**  trans-53.9111.5156.8-58.6172.1151.700110.2
218E65.6Low59.8Low200 Ų200140.6 Ų140.694%0.93577%0.773SS**  trans-143.5120.8144.9-77.1-155166.600111.3G216G216-E218 PolarHBondContact O-N 3.32Å
219E58.7Low59.1Low186 Ų186143 Ų14387%0.86979%0.787SS**  trans-61.3143.5173.2-165.6174.5-159.600111.1
220Y64.1Low58.6Low208 Ų208148 Ų14882%0.81680%0.803SS**  155.8108.4128.8-145.4-112.1000112.6
221S54.5Low57.4Low82 Ų82149.8 Ų149.857%0.57381%0.811SS**  trans65.1116130.6-58.70000122.2
222D52.5Low56.9Low147 Ų147149.5 Ų149.579%0.78681%0.814SS**  104.2136.9112.5-157.311.8000119.1
223S56.6Low55.9Low93 Ų93146 Ų14665%0.6581%0.814SS**  trans76.595.4161.2-60.80000117
224A50.3Low55.3Low89 Ų89140.6 Ų140.674%0.73681%0.812SS**  51.8107.780.400000113.1
225I57.7Low54.5Low167 Ų167140.5 Ų140.586%0.85682%0.817SS**  trans170.2115139.3-82.2147.3000107.1
226S48.9Very low53.9Low110 Ų110134.3 Ų134.377%0.76981%0.806SS**  trans-89.6149164.166.20000109.9
227P59.6Low53.5Low119 Ų119136.7 Ų136.777%0.77381%0.807SS**  trans-124.5137.7146.430.1-16.3000111.6
228S48Very low53Low109 Ų109132.7 Ų132.776%0.76280%0.801SS**PPolyproline II helixtrans-62.6151.1-179.3-48.70000114.1
229P57.8Low52.8Low125 Ų125129.2 Ų129.281%0.81280%0.796SS**PPolyproline II helixtrans-87137165.832.4-28.4000111.5
230L54.6Low52.9Low172 Ų172129.2 Ų129.290%0.90180%0.798SS**PPolyproline II helixtrans-70.7129.1-179.8-73.3159.8000111.9
231S40.3Very low52Low118 Ų118124.1 Ų124.183%0.82579%0.793SS**PPolyproline II helixtrans-79.9122169.6-44.80000110.5
232L54.4Low52.1Low167 Ų167131 Ų13187%0.87481%0.807SS**  trans-118.3110.5165.5-93.5150.8000109.3
233S40.9Very low52.6Low117 Ų117133.4 Ų133.482%0.81881%0.81SS**  trans-72.6126.6173.425.20000110.8
234S50.8Low52.7Low122 Ų122133.5 Ų133.585%0.85382%0.816SS**  trans-138.1125.1162.2178.30000109.7
235T46.4Very low53.5Low148 Ų148135.4 Ų135.491%0.90882%0.821SS**  trans-83.3124.9-167-23.90000110.2
236G50.7Low53.5Low67 Ų67137.3 Ų137.369%0.69182%0.823SS**  trans-156.2135.7173.300000112.1
237P53Low53.6Low128 Ų128136.9 Ų136.983%0.83183%0.827SS**  trans-92.4137.7-155.934.8-33.7000115.8
238S48.7Very low53.2Low112 Ų112135.1 Ų135.178%0.78383%0.83SS**  trans27.2120.6146.9-56.80000121.6
239P60.2Low53.3Low128 Ų128134.1 Ų134.183%0.83183%0.828SS**PPolyproline II helixtrans-96.9126.815032.4-24.4000111.4S241P239-S241 PolarHBondContact O-N 3.24Å
240M60.8Low53.5Low186 Ų186136.2 Ų136.292%0.91683%0.832SS**PPolyproline II helixtrans-71.7124174.8-71.7177.967.800111.8
241S45.8Very low53.5Low101 Ų101135.1 Ų135.171%0.70683%0.828SS**PPolyproline II helixtrans-48.4128.1167.7152.60000114.2P239P239-S241 PolarHBondContact O-N 3.24Å
242R56.6Low54.5Low227 Ų227137.8 Ų137.886%0.85783%0.832SS**  trans-117.2114.7156.1-75.3-171-178.7-1602.7110.1
243K61.9Low54Low197 Ų197138.4 Ų138.486%0.85783%0.831SS**PPolyproline II helixtrans-68.9131.2168.4-74.3175.3172.6-179.90110.1
244A60.3Low54.8Low95 Ų95138.4 Ų138.479%0.78583%0.831SS**PPolyproline II helixtrans-88146.1164.100000110.3
245P65.1Low54.6Low128 Ų128137.9 Ų137.983%0.83183%0.834SS**PPolyproline II helixtrans-83.4139.917532-29.9000111.8
246K58.3Low54.7Low207 Ų207134.4 Ų134.490%0.983%0.827SS**PPolyproline II helixtrans-80.6121.3-178.6-165.2173.5-175.6177.20109.7
247A51.7Low54.5Low102 Ų102138.1 Ų138.184%0.84383%0.831SS**PPolyproline II helixtrans-78.1129.3167.500000109.5
248G50.9Low54.2Low82 Ų82137.9 Ų137.985%0.84582%0.823SS**PPolyproline II helixtrans-102.8119.5172.100000109.9
249A49.9Very low54Low87 Ų87137.3 Ų137.372%0.71982%0.819SS**PPolyproline II helixtrans-91.5138.4167.600000109.1
250N62.8Low53.5Low169 Ų169136.5 Ų136.590%0.90482%0.817SS**  trans-135.9118.8157.9-89.1-11.3000108.1
251N54.2Low52.5Low150 Ų150135.8 Ų135.880%0.80282%0.816SS**  trans-81.3147.8168.1-69.3-24.6000109.4
252N61Low52.6Low173 Ų173136.4 Ų136.493%0.92582%0.821SS**  trans-148.8121.9145-110.6-0.9000109.3
253E44.9Very low52Low180 Ų180131.4 Ų131.484%0.84182%0.821SS**  trans-69.8146.7171.5-64.1168.6110.400110.5
254S56Low51Low118 Ų118126 Ų12683%0.82582%0.821SS**  178.3116.8127.5-79.10000111.5
255A47.3Very low50.2Low110 Ų110126.1 Ų126.191%0.90982%0.822SS**  trans25.2137.4139.800000121.1
256G48.7Very low49.2Very low75 Ų75126.4 Ų126.477%0.77382%0.821SS**  trans14588.214100000116.3
257N46.9Very low48.7Very low145 Ų145125.8 Ų125.878%0.77582%0.821SS**  trans13.7148.2143.7-114.531000123
258D45.5Very low48.2Very low124 Ų124126.4 Ų126.466%0.66382%0.815SS**  trans92.9104.1143.1-72.4-43.9000121.3
259S45.5Very low48.1Very low100 Ų100130.6 Ų130.670%0.69982%0.818SS**  86.6140.4117.7-65.30000120.9
260S49.5Very low47.9Very low111 Ų111130.5 Ų130.578%0.77681%0.812SS**  trans81.798.215750.70000120.1S262S260-S262 PolarHBondContact O-N 3.39Å
261N40.4Very low46.9Very low170 Ų170129.3 Ų129.391%0.90981%0.806SS**  trans-15.5120.9133.6-94.2-2.9000114.4
262S48.3Very low46.7Very low114 Ų114129.3 Ų129.380%0.79781%0.805SS**  trans-154.9134.3139.9640000110.6S260S260-S262 PolarHBondContact O-N 3.39Å
263S43.9Very low46.4Very low122 Ų122132.5 Ų132.585%0.85381%0.806SS**PPolyproline II helixtrans-60.3129.4-179.930.30000112.9A265S263-A265 PolarHBondContact O-N 2.91Å
264G40.1Very low46.6Very low84 Ų84128.4 Ų128.487%0.86680%0.803SS**PPolyproline II helixtrans-72.7119.3-179.600000113.1
265A43.7Very low45.9Very low98 Ų98130.5 Ų130.581%0.8181%0.805SS**PPolyproline II helixtrans-83.1147.6166.600000111S263S263-A265 PolarHBondContact O-N 2.91Å
266V43.3Very low45.8Very low133 Ų133128 Ų12881%0.80679%0.79SS**PPolyproline II helixtrans-59134.5174.4174.50000111.4
267Q49.1Very low45.8Very low194 Ų194130.9 Ų130.991%0.90779%0.792SS**  trans-127.5116.4157.1-78.3-172.2-21.500109.9
268T39.9Very low45.7Very low116 Ų116135.6 Ų135.671%0.71280%0.799SS**  trans-62.6143.6161.845.70000110.6
269D49Very low46.2Very low170 Ų170136.8 Ų136.891%0.90981%0.811SS**  trans-136.3140.4156.7-121.4-24000111.2
270S45.6Very low46.7Very low84 Ų84141.5 Ų141.559%0.58782%0.819SS**  trans-106.2170.5-159.3-57.90000112
271D43Very low46.5Very low145 Ų145142.2 Ų142.278%0.77582%0.821SS**  trans98.8142.8141.1-60.4-33.1000121.4
272L48.8Very low47.2Very low150 Ų150144.1 Ų144.179%0.78582%0.822SS**  trans94.6105.6158.6-51.1175000115.8
273Y55Low47.2Very low239 Ų239149.7 Ų149.794%0.93783%0.825SS**  -165.3145101.5-102.4-78.6000112.3
274A48.7Very low47.7Very low95 Ų95149.8 Ų149.879%0.78582%0.82SS**  trans-91.2164.5-164.700000115.3
275D41.1Very low48.1Very low162 Ų162156.5 Ų156.587%0.86682%0.819SS**  trans-44.7157.4169.5-172.116.9000116.7
276G45.5Very low48.6Very low58 Ų58159.5 Ų159.560%0.59882%0.816SS**  trans166.559.7171.100000121
277T48.2Very low49Very low134 Ų134158.1 Ų158.182%0.82281%0.813SS**  trans69.4120.6138.563.90000123.9
278R45.4Very low48.6Very low244 Ų244153 Ų15392%0.92181%0.812SS**  trans-28.3136.6153.6-70.9167.1151.2-174.1-5.2117.6
279T55.3Low48.9Very low149 Ų149151.2 Ų151.291%0.91482%0.817SS**  trans-150.9160.7132.645.60000112.3
280K58Low49.1Very low200 Ų200150.3 Ų150.387%0.8782%0.817SS**  trans-81.3166-152.5-69.1173.2178.5175.70116.1
281P44Very low49.2Very low126 Ų126150 Ų15082%0.81883%0.828SS**  trans-88.5154.9-174.935.9-33.4000113.2
282K55.9Low49.9Very low210 Ų210152.9 Ų152.991%0.91383%0.833SS**  trans-136.8114168-144.7172.7-173.6176.90111.4
283R47.5Very low49.9Very low230 Ų230150.1 Ų150.187%0.86883%0.833SS**  trans-55.7138.7166.8-80.3169.6149.9-178.6-5111.3
284V53.8Low49.6Very low125 Ų125144.6 Ų144.676%0.75883%0.826SS**  trans-145.3123.2140.71790000109.1
285R49.5Very low49.5Very low224 Ų224149.1 Ų149.185%0.84583%0.828SS**  trans-90.4138.6166.4-77.6175.2166.4173.8-5.7108.3
286H54.6Low49.9Very low161 Ų161150 Ų15075%0.74583%0.832SS**  trans-152109.4150.4-77.8-60.3000107.1
287S50.8Low50Low105 Ų105153.2 Ų153.273%0.73484%0.839SS**  50.3105.998.556.30000111
288G42.1Very low50.2Low86 Ų86152 Ų15289%0.88784%0.836SS**  113.510964.700000106.4
289G45.9Very low50.2Low79 Ų79148.9 Ų148.981%0.81483%0.832SS**  trans-155.381.9-174.600000110.3
290T51.8Low49.8Very low150 Ų150148.5 Ų148.592%0.9283%0.829SS**  trans-76.3118.3171.349.20000109.7
291G48.8Very low49.3Very low79 Ų79145.1 Ų145.181%0.81482%0.821SS**  trans-135.1110.8169.500000109.5
292K56.8Low49.4Very low204 Ų204146.4 Ų146.489%0.88782%0.821SS**  trans-89140.9-179-72.8178.2173.9178.10111.4
293A48.8Very low49.4Very low93 Ų93142.1 Ų142.177%0.76982%0.817SS**  trans72.3160.7139.800000119
294P50.2Low49.8Very low122 Ų122139.9 Ų139.979%0.79282%0.817SS**  cis-135.1171.87.735.9-15000117.5
295K46.5Very low49.7Very low191 Ų191137.5 Ų137.583%0.8382%0.818SS**  trans-32.7136.7165.7-70.5168.1168.6176.30116.3
296L48.9Very low49.7Very low181 Ų181133.6 Ų133.695%0.94881%0.812SS**  trans-131131.1140-79.7173000109.2
297V47.1Very low49.5Very low125 Ų125133.5 Ų133.576%0.75882%0.816SS**  trans-104.8125.6178160.80000107.1
298S51.6Low49Very low108 Ų108137.1 Ų137.176%0.75582%0.819SS**  trans-174.1103.9151.660.90000105.2
299Q46.1Very low49.3Very low178 Ų178140.6 Ų140.683%0.83282%0.816SS**  43.586.667.4-154.3-17723.400111.8
300V46.4Very low49.7Very low142 Ų142144.8 Ų144.886%0.86182%0.817SS**  trans-157.6134.7130.7178.60000107.2
301D47.6Very low49.7Very low129 Ų129145.1 Ų145.169%0.6981%0.813SS**  trans-61.6176.2176.5-66.7-70.1000115.1
302D47.7Very low49.6Very low153 Ų153147.6 Ų147.682%0.81881%0.807SS**  trans82.595.1157.5-55.8-29000118.2
303S54.7Low49.3Very low120 Ų120144 Ų14484%0.83981%0.807SS**  trans-135.183.8149.758.30000109.5
304Q56.8Low49Very low182 Ų182142.1 Ų142.185%0.8578%0.784SS**  trans-65.5135.7156.8-72.3-173.2-8.200108.8I306Q304-I306 PolarHBondContact O-N 3.14Å
305G50.8Low48.9Very low76 Ų76143.4 Ų143.478%0.78478%0.783SS**  trans-56.4125.3-179.900000112.3L307G305-L307 PolarHBondContact O-N 3.33Å
306I50.5Low49.1Very low141 Ų141140.4 Ų140.472%0.72377%0.774SS**  trans-76.7102.6172.7-64.8169.6000107.5Q304 F308Q304-I306 PolarHBondContact O-N 3.14Å; I306-F308 HydrophobicContact CG2-CD2 4.1Å; I306-F308 HydrophobicContact CG2-CE2 3.9Å; I306-F308 HydrophobicContact CG2-CZ 4.19Å
307L49.5Very low48.9Very low159 Ų159134.5 Ų134.583%0.83275%0.748SS**  trans-83.1116.8159.4-95157.2000107.7G305 L309G305-L307 PolarHBondContact O-N 3.33Å; L307-L309 PolarHBondContact O-N 2.59Å
308F41.1Very low49.1Very low181 Ų181132.9 Ų132.979%0.79475%0.748SS**  trans-72.6102.5172.7-73.6-93.7000109.5I306I306-F308 HydrophobicContact CG2-CD2 4.1Å; I306-F308 HydrophobicContact CG2-CE2 3.9Å; I306-F308 HydrophobicContact CG2-CZ 4.19Å
309L48.5Very low49Very low159 Ų159135.9 Ų135.983%0.83275%0.75SS**  trans-116.6106.3157.9-80.6161.7000106.3L307L307-L309 PolarHBondContact O-N 2.59Å
310M53.7Low49Very low167 Ų167132.6 Ų132.682%0.82374%0.744SS**  trans-90109.6169.3-72.3176.562.500107
311D52.5Low48.6Very low157 Ų157135.1 Ų135.184%0.8475%0.746SS**  trans-116.2131.6164.1-107.7-20.4000107.9
312D45.7Very low48.6Very low131 Ų131135.5 Ų135.570%0.70175%0.747SS**  trans-73.7149.3-171.4-64.4-50000112.9
313C50.3Low48.7Very low130 Ų130132.7 Ų132.788%0.87874%0.739SS**  trans-133.7120170.5-820000110.8
314D42.5Very low48.9Very low52 Ų52136.5 Ų136.528%0.27874%0.741SS.*  trans-85.6136.9179.2-65.1-36.4000112.9L405 S408D314-L405 WeakPolarHBondContact OD2-CA 3.36Å; D314-L405 PolarHBondContact OD2-N 2.84Å; D314-S408 WeakPolarHBondContact OD1-CB 3.35Å; D314-S408 PolarHBondContact OD1-OG 2.93Å
315I49.3Very low49Very low150 Ų150134.6 Ų134.677%0.76974%0.737SS**  trans-138.4103.3163.3-66.6-173.3000111
316I50.7Low49.4Very low128 Ų128138.2 Ų138.266%0.65674%0.738SS**  trans68.1108.2138.1-47170.3000119.6
317S44.8Very low50.1Low56 Ų56139.1 Ų139.139%0.39275%0.745SS.*  trans-86149.1168.2-60.30000114.3A407S317-A407 WeakPolarHBondContact OG-CB 3.46Å
318A51.1Low50.4Low92 Ų92134.5 Ų134.576%0.7674%0.736SS**  trans-141.2116150.400000108.4
319E49.4Very low51.4Low170 Ų170134 Ų13479%0.79474%0.741SS**  trans-74.6152.3172.7-78-177.9133.600111.1
320P46Very low51.7Low110 Ų110134 Ų13471%0.71474%0.74SS**  -150142104.933.6-14.3000116.8
321Q37.8Very low51.8Low194 Ų194134 Ų13491%0.90774%0.744SS**  trans39.1109141-56-167.1-22.100119.6
322I47.3Very low51.9Low137 Ų137130.3 Ų130.370%0.70374%0.742SS**  trans-118117.8166.1-56.9176.1000109.7
323S50.8Low52.3Low94 Ų94129 Ų12966%0.65775%0.75SS**  trans-74.8136.6161.844.20000109.9D325S323-D325 PolarHBondContact O-N 2.83Å
324F58.4Low52Low200 Ų200127.9 Ų127.988%0.87774%0.744SS**  trans-85.2107.4170.8-78.6-92.1000109
325D58.5Low52.4Low142 Ų142132 Ų13276%0.75977%0.771SS**  trans-89.5119.4161.2-71.7-44.5000108.5S323S323-D325 PolarHBondContact O-N 2.83Å
326D58.6Low52.1Low152 Ų152131.1 Ų131.181%0.81377%0.773SS**  trans-9994-178.3175.141.3000107.9
327D65.9Low52.6Low161 Ų161130.7 Ų130.786%0.86178%0.781SS**  trans-107.392.7170.8-73.3-38.6000109.2
328G55.6Low52.8Low62 Ų62136.6 Ų136.664%0.63980%0.803SS**  trans-82.3132.5164.800000111
329D62Low52.8Low171 Ų171140 Ų14091%0.91481%0.808SS**  trans-131.6109155.5-91.5-30.6000109.2
330I55.7Low52.8Low158 Ų158135.6 Ų135.681%0.8180%0.8SS**  trans-101.9129.2166-101.4165.5000105.4
331D54Low53.2Low167 Ų167138.9 Ų138.989%0.89381%0.808SS**  trans-157.4132.7154.8-91.5-31.6000110.3
332G55.7Low53.8Low79 Ų79137 Ų13781%0.81481%0.805SS**  trans16059.617300000115
333A54.6Low53.7Low105 Ų105137.2 Ų137.287%0.86881%0.807SS**  trans-69.2148174.800000113.3
334S42.7Very low53.4Low105 Ų105144 Ų14473%0.73482%0.819SS**  trans-84.3140.7176.7-1750000111.4
335T52.2Low52.6Low139 Ų139138.1 Ų138.185%0.85381%0.814SS**  trans-129.9117.1159.757.70000109.9
336T42.5Very low52.1Low131 Ų131136.9 Ų136.980%0.80482%0.816SS**  trans-82.6135.4171.747.10000110.6
337S60.5Low51.4Low120 Ų120136 Ų13684%0.83981%0.811SS**  trans-139.8130.4156.860.30000109.5
338E50.5Low50.5Low180 Ų180138.8 Ų138.884%0.84181%0.811SS**  trans-75.4148.4-178.7-50.5178.6121.800110.2
339D50.2Low49.9Very low163 Ų163143.3 Ų143.387%0.87282%0.816SS**  trans-175.7108.6139.8-94.7-29.9000113.1
340A50.5Low49.1Very low77 Ų77140.1 Ų140.164%0.63680%0.802SS**  48.4123.3127.100000123.4
341M53.1Low48.4Very low179 Ų179139.3 Ų139.388%0.88280%0.8SS**  trans68.6127.6131.7-55.7-82.716100116.1
342N51.1Low47.7Very low156 Ų156135.5 Ų135.583%0.83479%0.791SS**  -179.9161.753.5-158.71.7000110.3
343D43.9Very low47.3Very low140 Ų140139.8 Ų139.875%0.74980%0.795SS**  trans-96.7175.5-164.3-176.423.6000113.7
344R45.1Very low46.9Very low238 Ų238141.9 Ų141.990%0.89879%0.791SS**  trans100.1118.2173.4-65.5178.7162.5-176.1-4.6114.8
345G42.7Very low46.8Very low76 Ų76140.4 Ų140.478%0.78479%0.792SS**  cis113.5111.418.500000109.5
346S46.2Very low46.3Very low115 Ų115139 Ų13980%0.80479%0.789SS**  trans-169.6124.5150.2-159.20000112.8
347L44Very low46.5Very low135 Ų135137.8 Ų137.871%0.70779%0.785SS**  trans-77.2148.6171.3-90.1123.2000112.1
348Y48.5Very low46Very low219 Ų219137.4 Ų137.486%0.85978%0.778SS**  trans-166.1107132.1-72-66.3000106.3
349Q42.8Very low45.5Very low157 Ų157134.9 Ų134.973%0.73477%0.77SS**  42.8113.679-99.9-17326.900112.4
350T44.4Very low45.1Very low103 Ų103130.2 Ų130.263%0.63276%0.76SS**  173.4153.170.634.80000112.5
351N41.9Very low44.7Very low141 Ų141135.3 Ų135.375%0.75476%0.764SS**  trans62.3113.4141.4-53.3-9.7000119.8
352A38.9Very low44Very low87 Ų87132.3 Ų132.372%0.71976%0.761SS**  72.1134.464.800000114.9
353L47.4Very low43.7Very low169 Ų169130.5 Ų130.589%0.88576%0.761SS**  trans105147.1169.9-59169.8000115.1
354N45.3Very low43.5Very low150 Ų150134.8 Ų134.880%0.80277%0.768SS**  cis-180141.2-26.1-158.97.6000104.8
355G40.4Very low43.3Very low73 Ų73129.1 Ų129.175%0.75377%0.765SS**  trans73.2159.2163.900000116.6
356S43Very low43.2Very low111 Ų111131 Ų13178%0.77676%0.763SS**  cis-180147.1-4.51780000105.4
357S45.9Very low42.9Very low105 Ų105130.6 Ų130.673%0.73476%0.76SS**  trans74.1144.8151.1126.70000116.4
358V50.9Low43Very low112 Ų112136.1 Ų136.168%0.67977%0.772SS**  cis-176145.69.71410000106.1
359N39.9Very low42.8Very low127 Ų127128.8 Ų128.868%0.67976%0.763SS**  trans47131.1155.4-66.92.5000122.3Y361N359-Y361 HydrophobicContact CB-CE2 4.45Å
360G42.1Very low43Very low64 Ų64126.5 Ų126.566%0.6676%0.763SS**  trans-17462.8165.700000116.7
361Y42.1Very low43.2Very low184 Ų184131 Ų13172%0.72277%0.774SS**  trans27107.4145.9-29.2-77.6000117.9N359N359-Y361 HydrophobicContact CB-CE2 4.45Å
362S37.9Very low43.7Very low117 Ų117128.9 Ų128.982%0.81878%0.776SS**  52.7103.399.4-1670000115.4
363S43.8Very low44.4Very low118 Ų118133.1 Ų133.183%0.82579%0.786SS**  trans-151.881.4151.927.40000110.1
364Y39.8Very low44.7Very low230 Ų230128.8 Ų128.890%0.90278%0.782SS**  trans-77.1120153-86.1-87.6000107.8
365S41.4Very low45Very low119 Ų119127.9 Ų127.983%0.83278%0.782SS**  trans-148.2148.7158.9-83.60000111
366P41.4Very low46.3Very low114 Ų114129.9 Ų129.974%0.7479%0.785SS**  trans-115.8-179.7-145.735.7-19.7000112.5
367S39.6Very low47.3Very low108 Ų108131.7 Ų131.776%0.75579%0.785SS**  trans77.3148.6159.3-76.60000118.8
368R45.6Very low48.3Very low250 Ų250132.2 Ų132.294%0.94379%0.785SS**  trans85.6110.5171.8-52172.5-178.5-135.7-0.1111.4
369G43.8Very low48.9Very low66 Ų66133.1 Ų133.168%0.6879%0.791SS**  cis138.9156.724.700000106.9
370C47.2Very low50.1Low109 Ų109133.2 Ų133.274%0.73680%0.796SS**  trans83.7110156-61.10000119.9
371K49.4Very low50.9Low196 Ų196137 Ų13785%0.85280%0.8SS**  78.5101.6118.6-62.4170.8-169.3-177.80117.2
372A53Low51.7Low97 Ų97133.3 Ų133.380%0.80280%0.798SS**  149.779.7124.600000109.4
373L52.5Low52.6Low177 Ų177131.3 Ų131.393%0.92780%0.796SS**  trans-98.9111158.3-69178.7000106.4T375L373-T375 PolarHBondContact O-N 2.9Å
374G53.4Low53Low78 Ų78132 Ų13280%0.80480%0.795SS**  trans-57.7121.617800000109.9S376G374-S376 PolarHBondContact O-N 2.89Å
375T53Low53.7Low131 Ų131127.2 Ų127.280%0.80479%0.79SS**  trans-66107.4163.649.60000108L373 L377L373-T375 PolarHBondContact O-N 2.9Å; T375-L377 PolarHBondContact O-N 2.77Å
376S67.2Low54Low115 Ų115127 Ų12780%0.80479%0.788SS**PPolyproline II helixtrans-69.2117.2161.549.90000107.5G374G374-S376 PolarHBondContact O-N 2.89Å
377L64.2Low54.6Low149 Ų149133 Ų13378%0.7880%0.795SS**PPolyproline II helixtrans-57.6139.2171.9-71.3162000109.4T375 V379T375-L377 PolarHBondContact O-N 2.77Å; L377-V379 PolarHBondContact O-N 3.31Å
378P67.4Low55.3Low115 Ų115134.8 Ų134.875%0.74780%0.802SS**PPolyproline II helixtrans-63.5121.1171.526.3-31.6000108.9T380P378-T380 PolarHBondContact O-N 3.39Å
379V63.3Low55.6Low131 Ų131134.1 Ų134.179%0.79480%0.799SS**  trans-73.7112.3169.4177.50000107.1L377 I381L377-V379 PolarHBondContact O-N 3.31Å; V379-I381 PolarHBondContact O-N 2.89Å
380T65.3Low55.8Low129 Ų129136.5 Ų136.579%0.79181%0.806SS**  trans-72.7108.5173.6-420000108.6P378P378-T380 PolarHBondContact O-N 3.39Å
381I58.1Low56.2Low144 Ų144139.4 Ų139.474%0.73881%0.813SS**  trans-80.4125.5169.7-57175.2000107V379 G383V379-I381 PolarHBondContact O-N 2.89Å; I381-G383 PolarHBondContact O-N 3.26Å
382P58.9Low56.6Low106 Ų106138.8 Ų138.869%0.68881%0.813SS**  trans-59120.4177.8-2030.6000110.6V384P382-V384 PolarHBondContact O-N 3.08Å; P382-V384 VanDerWaalsContact O-N 3.11Å
383G57Low56.4Low75 Ų75137.9 Ų137.977%0.77381%0.813SS**  trans-65.5107.9175.600000110.5I381 T385I381-G383 PolarHBondContact O-N 3.26Å; G383-T385 PolarHBondContact O-N 2.97Å
384V51.6Low56.4Low132 Ų132134.3 Ų134.380%0.880%0.803SS**  trans-85.8104.9171.4-1450000107.1P382 C386P382-V384 PolarHBondContact O-N 3.08Å; P382-V384 VanDerWaalsContact O-N 3.11Å; V384-C386 PolarHBondContact O-N 2.71Å; V384-C386 VanDerWaalsContact O-N 3.09Å
385T53.8Low56.6Low130 Ų130138.6 Ų138.680%0.79881%0.808SS**  trans-72.397.3174.555.20000109.1G383 R387G383-T385 PolarHBondContact O-N 2.97Å; T385-R387 PolarHBondContact O-N 3.1Å
386C48.6Very low57Low116 Ų116137.3 Ų137.378%0.78480%0.8SS**  trans-79.9105.3167.8-74.40000109V384 T388V384-C386 PolarHBondContact O-N 2.71Å; V384-C386 VanDerWaalsContact O-N 3.09Å; C386-T388 PolarHBondContact O-N 3.32Å
387R53.9Low56.7Low238 Ų238137.7 Ų137.790%0.89879%0.793SS**  trans-65.1114.9165.9-74.5-179.4169.9-175.1-3.6108.5T385 R389T385-R387 PolarHBondContact O-N 3.1Å; R387-R389 PolarHBondContact O-N 2.98Å
388T54.2Low56.7Low146 Ų146137.9 Ų137.990%0.89680%0.795SS**  trans-65.5109.9165.542.10000108.8C386C386-T388 PolarHBondContact O-N 3.32Å
389R52.7Low56.5Low236 Ų236140.6 Ų140.689%0.89180%0.798SS**  trans-87.6133.5160-94.3-173.3177.4-175.8-0.2107.9R387 L391R387-R389 PolarHBondContact O-N 2.98Å; R389-L391 PolarHBondContact O-N 2.76Å
390S46.5Very low56.6Low116 Ų116143.6 Ų143.681%0.81180%0.795SS**  trans-60.9123.6172.6-1600000109.6E392S390-E392 PolarHBondContact O-N 3.48Å
391L57Low56.9Low171 Ų171141.4 Ų141.490%0.89579%0.785SS**  trans-76.7106.5174.4-148.192000107.6R389R389-L391 PolarHBondContact O-N 2.76Å
392E57.1Low57.8Low182 Ų182140.9 Ų140.985%0.8578%0.781SS**  trans-94.9146.3159.6-74.7-172.5157.900108.3S390S390-E392 PolarHBondContact O-N 3.48Å
393G49Very low58.9Low78 Ų78144.7 Ų144.780%0.80478%0.782SS**  trans-63.5155.4-156.200000117.7
394S52Low60Low103 Ų103146.3 Ų146.372%0.7277%0.77SS**  trans-16689.4146.7179.10000108.1T396S394-T396 PolarHBondContact O-N 3.3Å
395D58.8Low61.2Low168 Ų168143.8 Ų143.890%0.89875%0.751SS**  trans-67.889.2169.8-71.3-34.4000109.8
396T61.6Low62.5Low103 Ų103139.9 Ų139.963%0.63273%0.732SS**  trans-173104.7155.447.10000106.5S394S394-T396 PolarHBondContact O-N 3.3Å
397D59.2Low64.2Low123 Ų123135.8 Ų135.866%0.65871%0.707SS**  trans165.434151.2-79.9-19.7000114.6E399 R400D397-E399 VanDerWaalsContact C-N 3.33Å; D397-E399 PolarHBondContact O-N 3.05Å; D397-R400 PolarHBondContact O-N 3.16Å
398D64.4Low65.6Low154 Ų154125.9 Ų125.982%0.82467%0.674SS**THydrogen-bonded Turntrans-67.1-17.7-173-74.1-43.6000116.5
399E63.3Low66.8Low172 Ų172124 Ų12480%0.80466%0.657SS**Hα-helixtrans-80.8-18.9-179.8-71.4-162.5146.400114.2D397 S401D397-E399 VanDerWaalsContact C-N 3.33Å; D397-E399 PolarHBondContact O-N 3.05Å; E399-S401 VanDerWaalsContact C-N 3.35Å
400R64.8Low68.3Low194 Ų194121 Ų12173%0.73265%0.646SS**Hα-helixtrans-77.5-20.5179.6-95.2177171.3173.8-2.8113.7D397D397-R400 PolarHBondContact O-N 3.16Å
401S73.6Confident70Confident83 Ų83119.6 Ų119.658%0.5863%0.628SS**Hα-helixtrans-68.8-44.2-178.6179.90000112.7E399 Y403 H404 L405E399-S401 VanDerWaalsContact C-N 3.35Å; S401-Y403 PolarHBondContact O-N 2.77Å; S401-H404 WeakPolarHBondContact O-CB 3.42Å; S401-H404 PolarHBondContact O-N 2.76Å; S401-H404 VanDerWaalsContact O-N 3.15Å; S401-L405 PolarHBondContact O-N 3.48Å
402M76Confident71Confident133 Ų133116.8 Ų116.866%0.65561%0.613SS**Hα-helixtrans-66.4-34.3-176-176.6171.54500113.5A406M402-A406 PolarHBondContact O-N 3.02Å
403Y81.6Confident72.1Confident185 Ų185110.2 Ų110.273%0.72559%0.59SS**Hα-helixtrans-69.8-33175.5-97.2-86000112.6S401 A407S401-Y403 PolarHBondContact O-N 2.77Å; Y403-A407 PolarHBondContact O-N 2.78Å
404H80.8Confident73.6Confident109 Ų109110.1 Ų110.151%0.50557%0.57SS.*Hα-helixtrans-67.2-43.2176.3-106.8-82.2000112S401 A406 A407 S408S401-H404 WeakPolarHBondContact O-CB 3.42Å; S401-H404 PolarHBondContact O-N 2.76Å; S401-H404 VanDerWaalsContact O-N 3.15Å; H404-A406 PolarHBondContact O-N 3.47Å; H404-A407 PolarHBondContact O-N 3.49Å; H404-S408 PolarHBondContact O-N 3.44Å; H404-S408 VanDerWaalsContact O-N 3.08Å
405L75.6Confident74.8Confident80 Ų80108.7 Ų108.742%0.41956%0.557SS.*Hα-helixtrans-60.1-46.8176.4-174.775.5000111.7D314 S401 A407 S408 I409D314-L405 WeakPolarHBondContact OD2-CA 3.36Å; D314-L405 PolarHBondContact OD2-N 2.84Å; S401-L405 PolarHBondContact O-N 3.48Å; L405-A407 PolarHBondContact O-N 2.8Å; L405-S408 PolarHBondContact O-N 3.19Å; L405-I409 HydrophobicContact CG-CD1 4.18Å; L405-I409 WeakPolarHBondContact O-CG1 3.4Å; L405-I409 PolarHBondContact O-N 3.36Å; L405-I409 VanDerWaalsContact O-N 3.12Å
406A81.9Confident75.4Confident47 Ų47104.9 Ų104.939%0.38854%0.536SS..Hα-helixtrans-62.4-32.7-179.800000112.6M402 H404 R410M402-A406 PolarHBondContact O-N 3.02Å; H404-A406 PolarHBondContact O-N 3.47Å; A406-R410 WeakPolarHBondContact O-CG 3.2Å; A406-R410 PolarHBondContact O-N 2.93Å
407A84.8Confident76.1Confident31 Ų31106.9 Ų106.926%0.25654%0.538SS..Hα-helixtrans-75.7-38.217900000112.5S317 Y403 H404 L405 R410 M411S317-A407 WeakPolarHBondContact OG-CB 3.46Å; Y403-A407 PolarHBondContact O-N 2.78Å; H404-A407 PolarHBondContact O-N 3.49Å; L405-A407 PolarHBondContact O-N 2.8Å; A407-R410 PolarHBondContact O-N 2.79Å; A407-M411 PolarHBondContact O-N 3.12Å; A407-M411 VanDerWaalsContact O-N 3.14Å
408S84Confident76.6Confident30 Ų30108.2 Ų108.221%0.2154%0.54CS..Hα-helixtrans-61.9-45.6174.3178.90000112.6D314 H404 L405 R410 M411 L412D314-S408 WeakPolarHBondContact OD1-CB 3.35Å; D314-S408 PolarHBondContact OD1-OG 2.93Å; H404-S408 PolarHBondContact O-N 3.44Å; H404-S408 VanDerWaalsContact O-N 3.08Å; L405-S408 PolarHBondContact O-N 3.19Å; S408-R410 VanDerWaalsContact C-N 3.28Å; S408-R410 PolarHBondContact O-N 2.8Å; S408-M411 PolarHBondContact O-N 3.28Å; S408-L412 PolarHBondContact O-N 3.21Å; S408-L412 VanDerWaalsContact O-N 3.16Å
409I79Confident76.8Confident106 Ų106102 Ų10254%0.54451%0.511SS..Hα-helixtrans-58.7-39.6176.4-67.2169.4000111.4L405 A413L405-I409 HydrophobicContact CG-CD1 4.18Å; L405-I409 WeakPolarHBondContact O-CG1 3.4Å; L405-I409 PolarHBondContact O-N 3.36Å; L405-I409 VanDerWaalsContact O-N 3.12Å; I409-A413 PolarHBondContact O-N 2.81Å
410R82.7Confident76.9Confident173 Ų173101.7 Ų101.765%0.65352%0.515SS*.Hα-helixtrans-69.1-39178.3-72.1-178.8-170.9-166.73.3112.7A406 A407 S408 A413 L414A406-R410 WeakPolarHBondContact O-CG 3.2Å; A406-R410 PolarHBondContact O-N 2.93Å; A407-R410 PolarHBondContact O-N 2.79Å; S408-R410 VanDerWaalsContact C-N 3.28Å; S408-R410 PolarHBondContact O-N 2.8Å; R410-A413 WeakPolarHBondContact O-CB 3.17Å; R410-A413 PolarHBondContact O-N 2.85Å; R410-L414 PolarHBondContact O-N 3.14Å; R410-L414 VanDerWaalsContact O-N 3.11Å
411M83.8Confident77.2Confident87 Ų8796.5 Ų96.543%0.42950%0.501SS..Hα-helixtrans-62.4-44.3177.6-89.1-67.9-67.100112.3A407 S408 A413 L414 T415A407-M411 PolarHBondContact O-N 3.12Å; A407-M411 VanDerWaalsContact O-N 3.14Å; S408-M411 PolarHBondContact O-N 3.28Å; M411-A413 VanDerWaalsContact C-N 3.3Å; M411-A413 PolarHBondContact O-N 2.81Å; M411-L414 PolarHBondContact O-N 3.37Å; M411-T415 PolarHBondContact O-N 3.4Å; M411-T415 VanDerWaalsContact O-N 3.13Å; M411-T415 PolarHBondContact O-OG1 2.76Å
412L77.9Confident76.8Confident111 Ų11196.6 Ų96.658%0.58150%0.5SS*.Hα-helixtrans-62-38.6175.2-78.7169.8000112S408 L414 T415 I416S408-L412 PolarHBondContact O-N 3.21Å; S408-L412 VanDerWaalsContact O-N 3.16Å; L412-L414 VanDerWaalsContact C-N 3.34Å; L412-L414 PolarHBondContact O-N 2.96Å; L412-T415 PolarHBondContact O-N 3.45Å; L412-T415 PolarHBondContact O-OG1 3.01Å; L412-I416 WeakPolarHBondContact O-CD1 3.29Å; L412-I416 WeakPolarHBondContact O-CG1 3.08Å; L412-I416 PolarHBondContact O-N 3.16Å
413A78.8Confident76.3Confident44 Ų4495.9 Ų95.936%0.36450%0.495SS..Hα-helixtrans-63.9-38.1177.300000112.5I409 R410 M411 I416 Q417I409-A413 PolarHBondContact O-N 2.81Å; R410-A413 WeakPolarHBondContact O-CB 3.17Å; R410-A413 PolarHBondContact O-N 2.85Å; M411-A413 VanDerWaalsContact C-N 3.3Å; M411-A413 PolarHBondContact O-N 2.81Å; A413-I416 PolarHBondContact O-N 2.97Å; A413-Q417 WeakPolarHBondContact O-CG 3.38Å; A413-Q417 PolarHBondContact O-N 3.23Å
414L80.4Confident75.7Confident76 Ų7697.7 Ų97.740%0.39850%0.501SS..Hα-helixtrans-70-39.7177.2-70.7172.3000112.6R410 M411 L412 I416 Q417 E418R410-L414 PolarHBondContact O-N 3.14Å; R410-L414 VanDerWaalsContact O-N 3.11Å; M411-L414 PolarHBondContact O-N 3.37Å; L412-L414 VanDerWaalsContact C-N 3.34Å; L412-L414 PolarHBondContact O-N 2.96Å; L414-I416 PolarHBondContact O-N 3.26Å; L414-Q417 PolarHBondContact O-N 2.75Å; L414-E418 PolarHBondContact O-N 2.88Å
415T77.6Confident75Confident73 Ų7397 Ų9745%0.44850%0.5SS..Hα-helixtrans-64.7-29.1177.42.20000112.4M411 L412M411-T415 PolarHBondContact O-N 3.4Å; M411-T415 VanDerWaalsContact O-N 3.13Å; M411-T415 PolarHBondContact O-OG1 2.76Å; L412-T415 PolarHBondContact O-N 3.45Å; L412-T415 PolarHBondContact O-OG1 3.01Å
416I72.8Confident74.6Confident89 Ų8998.9 Ų98.946%0.45651%0.505SS..Hα-helixtrans-74-29.6173-65.8166.6000111.3L412 A413 L414L412-I416 WeakPolarHBondContact O-CD1 3.29Å; L412-I416 WeakPolarHBondContact O-CG1 3.08Å; L412-I416 PolarHBondContact O-N 3.16Å; A413-I416 PolarHBondContact O-N 2.97Å; L414-I416 PolarHBondContact O-N 3.26Å
417Q74.4Confident74.3Confident145 Ų14598.5 Ų98.568%0.67851%0.505SS*.Hα-helixtrans-82.5-38-179.8-73.517710.100113.5A413 L414 A419A413-Q417 WeakPolarHBondContact O-CG 3.38Å; A413-Q417 PolarHBondContact O-N 3.23Å; L414-Q417 PolarHBondContact O-N 2.75Å; Q417-A419 VanDerWaalsContact C-N 3.29Å; Q417-A419 PolarHBondContact O-N 3.16Å
418E69.8Low73.6Confident150 Ų150102.8 Ų102.870%0.70152%0.52SS*.SBendtrans-77.6-12.6179-74.8-176.6169.800113.9L414 D420L414-E418 PolarHBondContact O-N 2.88Å; E418-D420 PolarHBondContact O-N 3.24Å
419A69.2Low72.8Confident25 Ų25110.9 Ų110.921%0.20755%0.546CS..  trans-70.290.516700000108.5Q417 D421 L425Q417-A419 VanDerWaalsContact C-N 3.29Å; Q417-A419 PolarHBondContact O-N 3.16Å; A419-D421 CarbonylContact O-C 3.56Å; A419-D421 PolarHBondContact O-N 2.75Å; A419-L425 HydrophobicContact CB-CD1 3.42Å; A419-L425 VanDerWaalsContact CB-CD1 3.42Å
420D65.8Low72.5Confident165 Ų165112 Ų11288%0.88256%0.56SS**SBendtrans-49.4-12.2172-74.3-34.6000113.4E418E418-D420 PolarHBondContact O-N 3.24Å
421D70.6Confident72Confident84 Ų84112.4 Ų112.445%0.44956%0.562SS.*  trans-134.2100.1172.3-155.6-12.1000111.3A419 E423 R424A419-D421 CarbonylContact O-C 3.56Å; A419-D421 PolarHBondContact O-N 2.75Å; D421-E423 PolarHBondContact O-N 2.91Å; D421-E423 VanDerWaalsContact O-N 3.1Å; D421-E423 WeakPolarHBondContact OD1-CB 3.46Å; D421-E423 PolarHBondContact OD1-N 2.92Å; D421-R424 HydrophobicContact CB-CB 4.26Å; D421-R424 WeakPolarHBondContact O-CB 3.11Å; D421-R424 PolarHBondContact O-N 3.23Å
422P64.4Low71.3Confident86 Ų86119 Ų11956%0.55858%0.582SS**Hα-helixtrans-62-18.217725.8-34.2000112.3R424P422-R424 VanDerWaalsContact C-N 3.28Å; P422-R424 PolarHBondContact O-N 2.61Å
423E66.2Low70.8Confident117 Ų117125 Ų12555%0.54760%0.597SS.*Hα-helixtrans-71.6-22.8174.7-60.5-164.1158.700112.6D421 G427D421-E423 PolarHBondContact O-N 2.91Å; D421-E423 VanDerWaalsContact O-N 3.1Å; D421-E423 WeakPolarHBondContact OD1-CB 3.46Å; D421-E423 PolarHBondContact OD1-N 2.92Å; E423-G427 CarbonylContact O-C 3.49Å; E423-G427 VanDerWaalsContact O-C 3.25Å; E423-G427 WeakPolarHBondContact O-CA 3.43Å; E423-G427 PolarHBondContact O-N 3.03Å
424R68.8Low70.1Confident224 Ų224131.9 Ų131.985%0.84562%0.615SS**Hα-helixtrans-78.9-29.1180-164.7175.2175.3164.3-2.3113D421 P422D421-R424 HydrophobicContact CB-CB 4.26Å; D421-R424 WeakPolarHBondContact O-CB 3.11Å; D421-R424 PolarHBondContact O-N 3.23Å; P422-R424 VanDerWaalsContact C-N 3.28Å; P422-R424 PolarHBondContact O-N 2.61Å
425L66.5Low69.2Low93 Ų93138.6 Ų138.649%0.48764%0.635SS.*Hα-helixtrans-89.8-32.8-174.7-132.4122.6000113.4A419A419-L425 HydrophobicContact CB-CD1 3.42Å; A419-L425 VanDerWaalsContact CB-CD1 3.42Å
426F66.9Low68.3Low121 Ų121146.2 Ų146.253%0.53166%0.655SS.*SBendtrans-101.64-179.9-66.3-78.2000113.5
427G75.2Confident67.8Low38 Ų38150.1 Ų150.139%0.39267%0.671SS.*  trans62.5170.7-164.400000111.4E423 R429E423-G427 CarbonylContact O-C 3.49Å; E423-G427 VanDerWaalsContact O-C 3.25Å; E423-G427 WeakPolarHBondContact O-CA 3.43Å; E423-G427 PolarHBondContact O-N 3.03Å; G427-R429 PolarHBondContact O-N 3.32Å
428E70.1Confident67.2Low122 Ų122150.5 Ų150.557%0.5768%0.678SS**SBendtrans-58.7101.6172.9-144.3178.9174.700107.6R431E428-R431 IonicContact OE1-CZ 2.86Å; E428-R431 IonicContact OE1-NE 3.49Å; E428-R431 PolarHBondContact OE1-NE 3.42Å; E428-R431 IonicContact OE1-NH1 3.31Å; E428-R431 PolarHBondContact OE1-NH1 3.34Å; E428-R431 IonicContact OE1-NH2 3.01Å
429R68.1Low66.7Low199 Ų199153.4 Ų153.475%0.75168%0.683SS**  trans-46.1134.2176.8-83.2-173.8170.5-153.6-2.1107.2G427 R431G427-R429 PolarHBondContact O-N 3.32Å; R429-R431 PolarHBondContact O-N 2.9Å
430P73.6Confident66.5Low129 Ų129155.4 Ų155.484%0.83871%0.706SS**  trans-47.4101.4-177.3-27.332.3000109.8R432P430-R432 PolarHBondContact O-N 3.31Å
431R71Confident66.4Low182 Ų182156.8 Ų156.869%0.68770%0.7SS**  trans-58121.7-176.8-84.7-177.9167.2156.7-6.4105.1E428 R429 R433E428-R431 IonicContact OE1-CZ 2.86Å; E428-R431 IonicContact OE1-NE 3.49Å; E428-R431 PolarHBondContact OE1-NE 3.42Å; E428-R431 IonicContact OE1-NH1 3.31Å; E428-R431 PolarHBondContact OE1-NH1 3.34Å; E428-R431 IonicContact OE1-NH2 3.01Å; R429-R431 PolarHBondContact O-N 2.9Å; R431-R433 VanDerWaalsContact C-N 3.32Å; R431-R433 PolarHBondContact O-N 3.49Å
432R68.7Low66.1Low225 Ų225162 Ų16285%0.84972%0.722SS**  trans-47.3107171-89.7-172.3175-157.1-0105.3P430 Y434P430-R432 PolarHBondContact O-N 3.31Å; R432-Y434 PolarHBondContact O-N 2.83Å
433R68.5Low66.2Low239 Ų239164.6 Ų164.690%0.90273%0.731SS**  trans-63.792.6171.7-71.2-173.3-178.8-166.81.7103.8R431 R435R431-R433 VanDerWaalsContact C-N 3.32Å; R431-R433 PolarHBondContact O-N 3.49Å; R433-R435 PolarHBondContact O-N 3.01Å
434Y62.6Low66.1Low187 Ų187162.8 Ų162.873%0.73374%0.743SS**  trans-57.199.4162.6-104.1-84.2000103.5R432 R436R432-Y434 PolarHBondContact O-N 2.83Å; Y434-R436 PolarHBondContact O-N 3.09Å
435R61.5Low65.9Low218 Ų218163.7 Ų163.782%0.82376%0.762SS**  trans-57.396.2162.9-81.3-168.1173.7-166.50.7103.9R433 H437R433-R435 PolarHBondContact O-N 3.01Å; R435-H437 PolarHBondContact O-N 3.26Å
436R60.3Low65.8Low233 Ų233167.2 Ų167.288%0.87978%0.776SS**  trans-59.795.1160.3-81-171.7178.5-172.40.8103.9Y434 N438Y434-R436 PolarHBondContact O-N 3.09Å; R436-N438 PolarHBondContact O-N 3.4Å
437H60.8Low65.8Low170 Ų170169.6 Ų169.679%0.78779%0.789SS**  trans-56.999.4157.5-110.6-76.6000104.5R435 R439R435-H437 PolarHBondContact O-N 3.26Å; H437-R439 PolarHBondContact O-N 2.94Å
438N61.9Low65.3Low153 Ų153176.9 Ų176.982%0.81881%0.811SS**  trans-63.691.7169.5-134.215000104.7R436 G440R436-N438 PolarHBondContact O-N 3.4Å; N438-G440 PolarHBondContact O-N 2.71Å
439R60.4Low65Low212 Ų212180.2 Ų180.280%0.883%0.825SS**  trans-66.489.8160.3-89.2-172.6-179.2-1780.4104.9H437 Y441H437-R439 PolarHBondContact O-N 2.94Å; R439-Y441 PolarHBondContact O-N 3.44Å
440G65Low64.8Low67 Ų67179 Ų17969%0.69183%0.83SS**  trans-58.3106.8161.900000107.2N438 E442N438-G440 PolarHBondContact O-N 2.71Å; G440-E442 VanDerWaalsContact C-N 3.3Å; G440-E442 PolarHBondContact O-N 2.98Å; G440-E442 VanDerWaalsContact O-N 3.16Å
441Y63Low64.2Low194 Ų194182.3 Ų182.376%0.76183%0.829SS**  trans-69.395.7157.1-89.1-95.7000106.1R439 N443R439-Y441 PolarHBondContact O-N 3.44Å; Y441-N443 PolarHBondContact O-N 2.79Å
442E64.4Low63.7Low194 Ų194182.4 Ų182.491%0.90784%0.839SS**  trans-70100.7155.4-84.1-178.3150.600106.8G440 G444G440-E442 VanDerWaalsContact C-N 3.3Å; G440-E442 PolarHBondContact O-N 2.98Å; G440-E442 VanDerWaalsContact O-N 3.16Å; E442-G444 PolarHBondContact O-N 2.8Å
443N66Low63.3Low140 Ų140179.1 Ų179.175%0.74984%0.838SS**  trans-71.1116.4161.2-76.1-22.8000107.4Y441Y441-N443 PolarHBondContact O-N 2.79Å
444G65.7Low62.9Low78 Ų78174.1 Ų174.180%0.80483%0.833SS**  trans-68.2132.5164.900000110.9E442E442-G444 PolarHBondContact O-N 2.8Å
445I63.5Low62.9Low243 Ų243172.9 Ų172.9100%1.24684%0.842SS**  trans-118.70149.9-64.6179.1000105.9

Retrieved 445 of 445 residues in 155.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).