Q99NN7_RAT Loading...

Recombination activating protein 1

AlphaFold DB , UniProt , Accession Q99NN7, Species RAT (Rattus norvegicus, Rat), Gene Rag1, Length 256 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1D69.8Low90.6Very high169 Ų16958.7 Ų58.790%0.90432%0.32SS*.  0-36.90-56-12000115V3 R112D1-V3 PolarHBondContact O-N 3.44Å; D1-R112 PolarHBondContact O-NH2 3.47Å
2Y84.3Confident91.3Very high203 Ų20355.9 Ų55.980%0.79630%0.302SS*.  trans-87.16.5-178.8-58-85000116S4 I110Y2-S4 PolarHBondContact O-N 3.43Å; Y2-I110 HydrophobicContact CD1-CD1 3.45Å; Y2-I110 VanDerWaalsContact CD1-CD1 3.45Å; Y2-I110 HydrophobicContact CE1-CD1 4.2Å; Y2-I110 HydrophobicContact CG-CD1 4.16Å
3V85.8Confident91.9Very high64 Ų6452.2 Ų52.239%0.38828%0.282SS..  trans-69.8128.9-178.6-179.20000109.9D1 F7 V47 R112D1-V3 PolarHBondContact O-N 3.44Å; V3-F7 HydrophobicContact CB-CZ 4.42Å; V3-F7 HydrophobicContact CG1-CZ 4.23Å; V3-V47 HydrophobicContact CG1-CG2 3.81Å; V3-R112 WeakPolarHBondContact O-CD 3.25Å; V3-R112 PolarHBondContact O-NE 2.7Å
4S87.9Confident92.3Very high63 Ų6349.4 Ų49.444%0.44127%0.268SS..  trans-95.4-10.9-178.752.70000114.2Y2 P111 R112 T113Y2-S4 PolarHBondContact O-N 3.43Å; S4-P111 WeakPolarHBondContact CB-O 3.48Å; S4-R112 CarbonylContact O-C 3.56Å; S4-R112 VanDerWaalsContact O-CA 3.28Å; S4-R112 WeakPolarHBondContact O-CA 3.14Å; S4-T113 PolarHBondContact O-N 3.02Å
5G85.9Confident92.8Very high25 Ų2546.3 Ų46.326%0.25825%0.251SS..  trans109.7-163.5175.100000113.6
6P93.1Very high93.1Very high42 Ų4246.6 Ų46.627%0.27325%0.253SS..PPolyproline II helixcis-75.2135.412.229.8-34.9000113.4K115P6-K115 HydrophobicContact CB-CD 4.42Å
7F96.6Very high93.3Very high17 Ų1745.6 Ų45.68%0.07526%0.256CS..EExtended strand (participates in β ladder)trans-88.6135.1169.9-66.4-95000109.7V3 V45 T46 V47 I56 R112 T113 F114 K115V3-F7 HydrophobicContact CB-CZ 4.42Å; V3-F7 HydrophobicContact CG1-CZ 4.23Å; F7-V45 HydrophobicContact CB-CG1 4.12Å; F7-V45 HydrophobicContact CD1-CG1 3.94Å; F7-V45 HydrophobicContact CG-CG1 4.46Å; F7-T46 CarbonylContact C-O 3.59Å; F7-T46 VanDerWaalsContact CA-O 3.26Å; F7-T46 WeakPolarHBondContact CA-O 3.42Å; F7-V47 HydrophobicContact CD1-CB 3.73Å; F7-V47 HydrophobicContact CD1-CG2 4Å; F7-V47 HydrophobicContact CE1-CB 3.77Å; F7-V47 HydrophobicContact CE1-CG1 4.36Å; F7-V47 HydrophobicContact CE1-CG2 3.91Å; F7-V47 HydrophobicContact CE2-CG2 4.38Å; F7-V47 HydrophobicContact CG-CB 4.4Å; F7-V47 HydrophobicContact CG-CG2 4.31Å; F7-V47 HydrophobicContact CZ-CB 4.46Å; F7-V47 HydrophobicContact CZ-CG2 4.1Å; F7-I56 HydrophobicContact CE1-CG1 4.3Å; F7-R112 HydrophobicContact CD2-CB 4.41Å; F7-R112 HydrophobicContact CE2-CB 4.16Å; F7-R112 HydrophobicContact CE2-CG 4.28Å; F7-T113 WeakPolarHBondContact CD2-O 3.49Å; F7-T113 PolarHBondContact N-O 3.47Å; F7-F114 HydrophobicContact CB-CD1 3.49Å; F7-F114 VanDerWaalsContact CB-CD1 3.49Å; F7-F114 HydrophobicContact CB-CE1 3.68Å; F7-F114 HydrophobicContact CB-CG 4.32Å; F7-F114 HydrophobicContact CD2-CD1 4.44Å; F7-F114 HydrophobicContact CD2-CE1 4.03Å; F7-F114 HydrophobicContact CD2-CZ 4.24Å; F7-F114 HydrophobicContact CG-CD1 4.15Å; F7-F114 AromaticContact CG-CE1 3.82Å; F7-F114 HydrophobicContact CG-CE1 3.82Å; F7-F114 HydrophobicContact CG-CZ 4.46Å; F7-F114 CarbonylContact O-C 3.46Å; F7-F114 WeakPolarHBondContact O-CA 3.34Å; F7-K115 PolarHBondContact O-N 2.9Å
8T97.7Very high93.6Very high31 Ų3148.2 Ų48.219%0.1927%0.267CS..EExtended strand (participates in β ladder)trans-101118.8171.1-52.90000109.6V45 T46 I117T8-V45 WeakPolarHBondContact O-CA 3.38Å; T8-T46 PolarHBondContact N-O 2.94Å; T8-T46 PolarHBondContact O-N 2.83Å; T8-I117 HydrophobicContact CG2-CD1 3.49Å; T8-I117 VanDerWaalsContact CG2-CD1 3.49Å; T8-I117 HydrophobicContact CG2-CG1 3.85Å
9V98.3Very high93.7Very high9 Ų947.9 Ų47.96%0.05528%0.276CS..EExtended strand (participates in β ladder)trans-102.5115.4178.6-172.70000108.4V11 V42 V45 F114 K115 F116 I117V9-V11 HydrophobicContact CG1-CG2 3.92Å; V9-V42 HydrophobicContact CG1-CG1 3.77Å; V9-V42 HydrophobicContact CG1-CG2 4.42Å; V9-V45 HydrophobicContact CG1-CG2 4.34Å; V9-V45 HydrophobicContact CG2-CG1 4.4Å; V9-V45 HydrophobicContact CG2-CG2 4.32Å; V9-F114 HydrophobicContact CG2-CB 4.35Å; V9-F114 HydrophobicContact CG2-CD1 3.71Å; V9-F114 HydrophobicContact CG2-CG 4.47Å; V9-K115 PolarHBondContact N-O 3.44Å; V9-F116 HydrophobicContact CB-CD1 3.73Å; V9-F116 HydrophobicContact CB-CE1 3.87Å; V9-F116 HydrophobicContact CG1-CD1 4.05Å; V9-F116 HydrophobicContact CG1-CE1 4.04Å; V9-F116 HydrophobicContact CG2-CD1 4.33Å; V9-F116 HydrophobicContact CG2-CE1 4.04Å; V9-F116 WeakPolarHBondContact O-CA 3.36Å; V9-I117 PolarHBondContact O-N 2.82Å
10V98.6Very high93.9Very high17 Ų1753.5 Ų53.510%0.10331%0.305CS..EExtended strand (participates in β ladder)trans-89.3119172.4-175.90000108.4M43 R44 I117 R119V10-M43 PolarHBondContact O-N 3.12Å; V10-R44 HydrophobicContact CB-CB 4.32Å; V10-R44 HydrophobicContact CG2-CB 4.49Å; V10-R44 PolarHBondContact N-O 2.78Å; V10-R44 PolarHBondContact O-N 3.46Å; V10-I117 WeakPolarHBondContact CA-O 3.48Å; V10-R119 HydrophobicContact CG1-CG 4.18Å
11V98.8Very high94.1Very high6 Ų652.8 Ų52.84%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-111.4120-177.6-178.70000108.8V9 F40 T41 F116 I117 F118 R119V9-V11 HydrophobicContact CG1-CG2 3.92Å; V11-F40 HydrophobicContact CG1-CB 3.7Å; V11-F40 HydrophobicContact CG1-CD2 3.92Å; V11-F40 HydrophobicContact CG1-CG 4.21Å; V11-T41 CarbonylContact C-O 3.52Å; V11-T41 WeakPolarHBondContact CA-O 3.25Å; V11-F116 HydrophobicContact CG2-CD1 4.01Å; V11-I117 PolarHBondContact N-O 3.14Å; V11-F118 HydrophobicContact CB-CD1 3.86Å; V11-F118 HydrophobicContact CB-CE1 4.24Å; V11-F118 HydrophobicContact CG1-CD1 4.03Å; V11-F118 HydrophobicContact CG1-CE1 4.32Å; V11-F118 HydrophobicContact CG2-CD1 4.4Å; V11-F118 HydrophobicContact CG2-CE1 4.33Å; V11-F118 CarbonylContact O-C 3.56Å; V11-F118 WeakPolarHBondContact O-CA 3.28Å; V11-R119 PolarHBondContact O-N 2.95Å
12K98.8Very high95.5Very high25 Ų2549.1 Ų49.111%0.10929%0.289CS..EExtended strand (participates in β ladder)trans-80.2121.5167.8-180-176.984.9178.20108F40 T41 M43 P62 N63 T121K12-F40 CarbonylContact O-C 3.57Å; K12-F40 WeakPolarHBondContact O-CA 3.48Å; K12-T41 PolarHBondContact N-O 2.81Å; K12-T41 PolarHBondContact O-N 2.92Å; K12-M43 HydrophobicContact CB-CG 3.49Å; K12-M43 VanDerWaalsContact CB-CG 3.49Å; K12-M43 HydrophobicContact CB-SD 3.83Å; K12-M43 HydrophobicContact CD-SD 4.13Å; K12-P62 PolarHBondContact NZ-O 3.31Å; K12-N63 PolarHBondContact NZ-OD1 3.02Å; K12-T121 WeakPolarHBondContact CG-OG1 3.48Å
13E98.8Very high96.1Very high8 Ų843.6 Ų43.64%0.03727%0.271CS..EExtended strand (participates in β ladder)trans-95.9145.2171.5-57172.1124.800109.2F38 R95 F118 R119 T121 G122 Y123E13-F38 HydrophobicContact CB-CE1 4.41Å; E13-F38 HydrophobicContact CB-CZ 4.17Å; E13-R95 VanDerWaalsContact CD-NE 3.31Å; E13-R95 WeakPolarHBondContact OE1-CD 3.46Å; E13-R95 IonicContact OE1-NE 3.7Å; E13-R95 PolarHBondContact OE1-NE 2.88Å; E13-R95 VanDerWaalsContact OE1-NE 3.08Å; E13-R95 IonicContact OE2-CZ 3.71Å; E13-R95 IonicContact OE2-NE 2.71Å; E13-R95 PolarHBondContact OE2-NE 2.83Å; E13-R95 IonicContact OE2-NH2 3.92Å; E13-R95 PolarHBondContact OE2-NH2 2.62Å; E13-F118 HydrophobicContact CG-CB 4.34Å; E13-F118 HydrophobicContact CG-CD1 4.22Å; E13-F118 WeakPolarHBondContact OE2-CB 3.37Å; E13-R119 PolarHBondContact N-O 3.39Å; E13-T121 PolarHBondContact O-N 2.84Å; E13-G122 PolarHBondContact O-N 3.31Å; E13-Y123 HydrophobicContact CB-CE2 4.44Å
14S98.6Very high96.7Very high12 Ų1249.4 Ų49.48%0.08429%0.291CS..EExtended strand (participates in β ladder)trans-144.6139.4-177.8-52.30000109.6S39 G122S14-S39 PolarHBondContact N-O 3.22Å; S14-S39 PolarHBondContact O-N 2.85Å; S14-S39 VanDerWaalsContact O-O 3.12Å; S14-G122 CarbonylContact C-O 3.48Å; S14-G122 WeakPolarHBondContact CA-O 3.39Å; S14-G122 WeakPolarHBondContact CB-O 3.32Å
15C98.6Very high97.1Very high3 Ų356.1 Ų56.12%0.0232%0.315CS..EExtended strand (participates in β ladder)trans-140.6130.6175.3-166.80000108.2V36 R37 F38 G122 Y123 L127C15-V36 WeakPolarHBondContact SG-CG1 3.38Å; C15-R37 WeakPolarHBondContact CA-O 3.46Å; C15-F38 HydrophobicContact CB-CD2 3.87Å; C15-F38 HydrophobicContact CB-CE2 4.37Å; C15-G122 PolarHBondContact N-O 2.98Å; C15-Y123 HydrophobicContact CB-CD1 3.68Å; C15-Y123 HydrophobicContact CB-CE1 3.33Å; C15-L127 HydrophobicContact CB-CD2 3.68Å; C15-L127 VanDerWaalsContact O-CD2 3.27Å; C15-L127 WeakPolarHBondContact O-CD2 3.17Å
16D97.5Very high97.7Very high51 Ų5158.3 Ų58.327%0.27334%0.338SS..EExtended strand (participates in β ladder)trans-138.3136.1179.264.9-80.3000111.1V36 R37D16-V36 WeakPolarHBondContact O-CA 3.45Å; D16-R37 PolarHBondContact N-O 3.2Å; D16-R37 VanDerWaalsContact N-O 3.16Å; D16-R37 PolarHBondContact O-N 3.2Å; D16-R37 IonicContact OD1-CZ 3.5Å; D16-R37 IonicContact OD1-NE 3.46Å; D16-R37 PolarHBondContact OD1-NE 3.32Å; D16-R37 IonicContact OD1-NH2 2.83Å; D16-R37 PolarHBondContact OD1-NH2 3.14Å; D16-R37 IonicContact OD2-NH2 3.62Å
17G97.6Very high97.8Very high31 Ų3162.7 Ų62.732%0.3237%0.369SS..EExtended strand (participates in β ladder)trans-85.3137.6167.100000111.6A35 E78G17-A35 CarbonylContact C-O 3.56Å; G17-A35 WeakPolarHBondContact CA-O 3.3Å; G17-E78 VanDerWaalsContact CA-OE2 3.32Å; G17-E78 WeakPolarHBondContact CA-OE2 3.4Å; G17-E78 PolarHBondContact N-OE2 2.89Å; G17-E78 VanDerWaalsContact N-OE2 3.14Å
18M98.1Very high97.8Very high92 Ų9264.5 Ų64.545%0.45339%0.393SS..EExtended strand (participates in β ladder)trans-116.5125.9177.7-59.617868.800109.2V21 K34 A35M18-V21 HydrophobicContact CB-CG2 3.98Å; M18-K34 VanDerWaalsContact O-CA 3.26Å; M18-K34 WeakPolarHBondContact O-CA 3.26Å; M18-A35 HydrophobicContact CB-CB 4.48Å; M18-A35 PolarHBondContact N-O 3.48Å; M18-A35 PolarHBondContact O-N 2.83Å
19G96.6Very high97.8Very high42 Ų4268 Ų6843%0.43342%0.416SS..  trans-84.6174167.700000112.4V21G19-V21 VanDerWaalsContact C-N 3.25Å; G19-V21 PolarHBondContact O-N 3.5Å
20D97.1Very high97.8Very high159 Ų15972.2 Ų72.285%0.8545%0.452SS*.  trans56.136.2172.6-53.3-33.3000113.9S22 E33D20-S22 PolarHBondContact O-N 2.87Å; D20-E33 PolarHBondContact N-O 3.43Å
21V98.2Very high97.8Very high40 Ų4073.3 Ų73.324%0.24246%0.458CS..  trans-95.791.2176.9-176.80000108.9M18 G19 E23 E33 A35 L75M18-V21 HydrophobicContact CB-CG2 3.98Å; G19-V21 VanDerWaalsContact C-N 3.25Å; G19-V21 PolarHBondContact O-N 3.5Å; V21-E23 PolarHBondContact O-N 3.35Å; V21-E33 PolarHBondContact N-O 2.98Å; V21-E33 CarbonylContact O-C 3.48Å; V21-E33 VanDerWaalsContact O-C 3.22Å; V21-E33 WeakPolarHBondContact O-CA 3.46Å; V21-E33 WeakPolarHBondContact O-CB 3.15Å; V21-A35 HydrophobicContact CB-CB 4.46Å; V21-A35 HydrophobicContact CG1-CB 4.31Å; V21-A35 HydrophobicContact CG2-CB 3.98Å; V21-L75 HydrophobicContact CG1-CD2 4.13Å
22S97.9Very high97.7Very high92 Ų9275.7 Ų75.764%0.64347%0.474SS*.PPolyproline II helixtrans-55.9131.2-172.3-53.60000113.9D20D20-S22 PolarHBondContact O-N 2.87Å
23E97.9Very high97.7Very high86 Ų8679.8 Ų79.840%0.40249%0.494SS..PPolyproline II helixtrans-67.2143.4171.3-176.8177.9-148.200110V21 A30 V31 E33V21-E23 PolarHBondContact O-N 3.35Å; E23-A30 WeakPolarHBondContact OE1-CA 3.46Å; E23-V31 HydrophobicContact CB-CG2 4.46Å; E23-V31 HydrophobicContact CG-CG2 3.78Å; E23-V31 WeakPolarHBondContact OE1-CG2 3.36Å; E23-V31 PolarHBondContact OE1-N 2.91Å; E23-E33 HydrophobicContact CB-CG 4.17Å; E23-E33 PolarHBondContact N-OE1 2.91Å
24K97.8Very high97.6Very high187 Ų18783.1 Ų83.181%0.81351%0.508SS*.PPolyproline II helixtrans-97.3144.9175.6-64-172.3-174.7-60.50110.2
25H97.5Very high97.6Very high203 Ų20383.2 Ų83.294%0.9451%0.51SS*.PPolyproline II helixtrans-57.6143.2163.8-59.3-56.3000110.8
26G96.9Very high97.6Very high72 Ų7283.1 Ų83.174%0.74251%0.509SS*.SBendtrans165.9-173.1178.100000112.8G28G26-G28 VanDerWaalsContact C-N 3.34Å
27S97.1Very high97.7Very high134 Ų13484.4 Ų84.494%0.93751%0.51SS*.SBendtrans-916.7178.562.30000113.8
28G96.6Very high97.8Very high55 Ų5583.1 Ų83.157%0.56750%0.495SS*.SBendtrans-73.2171.6-178.800000112.8G26G26-G28 VanDerWaalsContact C-N 3.34Å
29P97.4Very high97.8Very high104 Ų10478.7 Ų78.768%0.67547%0.474SS*.PPolyproline II helixtrans-61.7155.416830.4-35000110V31P29-V31 HydrophobicContact CG-CG1 4.28Å; P29-V31 PolarHBondContact O-N 2.91Å
30A97.6Very high97.9Very high97 Ų9779.4 Ų79.480%0.80247%0.465SS*.PPolyproline II helixtrans-63.3127.5166.900000108.9E23E23-A30 WeakPolarHBondContact OE1-CA 3.46Å
31V97.8Very high98Very high40 Ų4071.8 Ų71.824%0.24242%0.424CS..  trans-123.4150.7-178.1-69.60000110.4E23 P29 L75E23-V31 HydrophobicContact CB-CG2 4.46Å; E23-V31 HydrophobicContact CG-CG2 3.78Å; E23-V31 WeakPolarHBondContact OE1-CG2 3.36Å; E23-V31 PolarHBondContact OE1-N 2.91Å; P29-V31 HydrophobicContact CG-CG1 4.28Å; P29-V31 PolarHBondContact O-N 2.91Å; V31-L75 HydrophobicContact CB-CB 4.09Å; V31-L75 HydrophobicContact CB-CD1 4.42Å; V31-L75 HydrophobicContact CG1-CB 4.34Å; V31-L75 HydrophobicContact CG2-CB 4.4Å; V31-L75 HydrophobicContact CG2-CD1 3.91Å
32P97.6Very high98Very high56 Ų5672 Ų7236%0.36443%0.426SS..  trans-64.8151.4175.228.2-34.5000110.8K34P32-K34 HydrophobicContact CB-CB 4.39Å; P32-K34 PolarHBondContact O-N 2.84Å
33E98.1Very high98Very high112 Ų11270.1 Ų70.152%0.52341%0.407SS..SBendtrans-77.146.2171.4-60.9-162.7137.400112.2D20 V21 E23D20-E33 PolarHBondContact N-O 3.43Å; V21-E33 PolarHBondContact N-O 2.98Å; V21-E33 CarbonylContact O-C 3.48Å; V21-E33 VanDerWaalsContact O-C 3.22Å; V21-E33 WeakPolarHBondContact O-CA 3.46Å; V21-E33 WeakPolarHBondContact O-CB 3.15Å; E23-E33 HydrophobicContact CB-CG 4.17Å; E23-E33 PolarHBondContact N-OE1 2.91Å
34K98.4Very high98Very high77 Ų7771.1 Ų71.134%0.33541%0.407SS..  trans-142.5153.9-176.8-65.7177.7179.3-70.60109M18 P32 L75 A76 D77M18-K34 VanDerWaalsContact O-CA 3.26Å; M18-K34 WeakPolarHBondContact O-CA 3.26Å; P32-K34 HydrophobicContact CB-CB 4.39Å; P32-K34 PolarHBondContact O-N 2.84Å; K34-L75 CarbonylContact O-C 3.51Å; K34-L75 WeakPolarHBondContact O-CA 3.36Å; K34-A76 CarbonylContact C-O 3.57Å; K34-A76 WeakPolarHBondContact CB-O 3.16Å; K34-A76 PolarHBondContact O-N 2.77Å; K34-D77 HydrophobicContact CD-CB 3.7Å; K34-D77 WeakPolarHBondContact CD-OD2 3.42Å; K34-D77 WeakPolarHBondContact CE-OD2 3.46Å
35A98.4Very high98Very high15 Ų1563.2 Ų63.212%0.12438%0.375CS..EExtended strand (participates in β ladder)trans-132.5152.5172.400000110.6G17 M18 V21 M74 L75 A76G17-A35 CarbonylContact C-O 3.56Å; G17-A35 WeakPolarHBondContact CA-O 3.3Å; M18-A35 HydrophobicContact CB-CB 4.48Å; M18-A35 PolarHBondContact N-O 3.48Å; M18-A35 PolarHBondContact O-N 2.83Å; V21-A35 HydrophobicContact CB-CB 4.46Å; V21-A35 HydrophobicContact CG1-CB 4.31Å; V21-A35 HydrophobicContact CG2-CB 3.98Å; A35-M74 CarbonylContact C-O 3.58Å; A35-M74 WeakPolarHBondContact CA-O 3.43Å; A35-M74 WeakPolarHBondContact CB-O 3.41Å; A35-L75 HydrophobicContact CB-CD2 4.19Å; A35-A76 CarbonylContact C-O 3.57Å
36V98.7Very high98Very high1 Ų154.2 Ų54.21%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-118.6136.3166179.60000108C15 D16 M74 E78 L84C15-V36 WeakPolarHBondContact SG-CG1 3.38Å; D16-V36 WeakPolarHBondContact O-CA 3.45Å; V36-M74 HydrophobicContact CB-CE 4.44Å; V36-M74 HydrophobicContact CB-CG 3.61Å; V36-M74 HydrophobicContact CB-SD 3.92Å; V36-M74 HydrophobicContact CG1-CE 4.4Å; V36-M74 HydrophobicContact CG1-CG 4.5Å; V36-M74 HydrophobicContact CG1-SD 4.37Å; V36-M74 HydrophobicContact CG2-CG 4.42Å; V36-M74 PolarHBondContact N-O 3.18Å; V36-M74 WeakPolarHBondContact O-CG 3.43Å; V36-M74 PolarHBondContact O-N 3.47Å; V36-E78 HydrophobicContact CG2-CB 3.82Å; V36-L84 HydrophobicContact CG1-CD1 4Å; V36-L84 HydrophobicContact CG2-CD1 4.35Å
37R98.7Very high97.9Very high77 Ų7751.1 Ų51.129%0.29130%0.301SS..EExtended strand (participates in β ladder)trans-122115.8178.4175.817268.9109.713.3110C15 D16 S39 C72 L73C15-R37 WeakPolarHBondContact CA-O 3.46Å; D16-R37 PolarHBondContact N-O 3.2Å; D16-R37 VanDerWaalsContact N-O 3.16Å; D16-R37 PolarHBondContact O-N 3.2Å; D16-R37 IonicContact OD1-CZ 3.5Å; D16-R37 IonicContact OD1-NE 3.46Å; D16-R37 PolarHBondContact OD1-NE 3.32Å; D16-R37 IonicContact OD1-NH2 2.83Å; D16-R37 PolarHBondContact OD1-NH2 3.14Å; D16-R37 IonicContact OD2-NH2 3.62Å; R37-S39 WeakPolarHBondContact CG-OG 3.32Å; R37-C72 WeakPolarHBondContact CA-O 2.7Å; R37-L73 HydrophobicContact CB-CD2 3.93Å; R37-L73 HydrophobicContact CG-CD2 3.51Å
38F98.8Very high97.5Very high4 Ų450.2 Ų50.22%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-94.9128.1167.9-161.2-78.6000109.4E13 C15 L71 C72 L88 L91 Y123E13-F38 HydrophobicContact CB-CE1 4.41Å; E13-F38 HydrophobicContact CB-CZ 4.17Å; C15-F38 HydrophobicContact CB-CD2 3.87Å; C15-F38 HydrophobicContact CB-CE2 4.37Å; F38-L71 HydrophobicContact CD1-CB 4.35Å; F38-L71 HydrophobicContact CD1-CD2 4.03Å; F38-L71 HydrophobicContact CE1-CD2 4.18Å; F38-L71 PolarHBondContact O-N 3.34Å; F38-C72 HydrophobicContact CB-CB 4.05Å; F38-C72 PolarHBondContact N-O 2.91Å; F38-C72 PolarHBondContact O-N 2.97Å; F38-L88 HydrophobicContact CB-CD2 4Å; F38-L88 HydrophobicContact CD2-CD1 4.21Å; F38-L88 HydrophobicContact CD2-CD2 3.9Å; F38-L88 HydrophobicContact CG-CD2 4.2Å; F38-L91 HydrophobicContact CD1-CD1 4.46Å; F38-L91 HydrophobicContact CG-CD1 4.45Å; F38-Y123 WeakPolarHBondContact CE2-OH 3.38Å
39S98.8Very high96.9Very high0 Ų054 Ų540%028%0.284CS..EExtended strand (participates in β ladder)trans-137.9164.6-175.9-57.50000111.2S14 R37 C68 K69S14-S39 PolarHBondContact N-O 3.22Å; S14-S39 PolarHBondContact O-N 2.85Å; S14-S39 VanDerWaalsContact O-O 3.12Å; R37-S39 WeakPolarHBondContact CG-OG 3.32Å; S39-C68 VanDerWaalsContact CB-SG 3.51Å; S39-K69 CarbonylContact C-O 3.42Å; S39-K69 VanDerWaalsContact CA-O 3.25Å; S39-K69 WeakPolarHBondContact CA-O 3.45Å; S39-K69 VanDerWaalsContact CB-O 3.32Å; S39-K69 WeakPolarHBondContact CB-O 3.36Å
40F98.8Very high96.2Very high56 Ų5652.3 Ų52.325%0.24629%0.286CS..EExtended strand (participates in β ladder)trans-139.4155.5172.271.5-81.7000112.2V11 K12 V42 K69 L71V11-F40 HydrophobicContact CG1-CB 3.7Å; V11-F40 HydrophobicContact CG1-CD2 3.92Å; V11-F40 HydrophobicContact CG1-CG 4.21Å; K12-F40 CarbonylContact O-C 3.57Å; K12-F40 WeakPolarHBondContact O-CA 3.48Å; F40-V42 HydrophobicContact CE2-CG2 4.42Å; F40-K69 HydrophobicContact CD1-CB 4.29Å; F40-K69 HydrophobicContact CE1-CB 3.93Å; F40-K69 HydrophobicContact CE2-CB 4.35Å; F40-K69 HydrophobicContact CE2-CD 4.19Å; F40-K69 HydrophobicContact CZ-CB 3.97Å; F40-K69 HydrophobicContact CZ-CD 4.07Å; F40-K69 PolarHBondContact N-O 2.76Å; F40-K69 PolarHBondContact O-N 3.08Å; F40-L71 HydrophobicContact CD1-CB 4.01Å; F40-L71 HydrophobicContact CD1-CD2 4.31Å; F40-L71 HydrophobicContact CE1-CB 4.28Å; F40-L71 HydrophobicContact CE1-CD1 4.26Å
41T98.8Very high95.4Very high0 Ų053.4 Ų53.40%029%0.287CS..EExtended strand (participates in β ladder)trans-129129173-56.80000108.7V11 K12 M43 E59 C67V11-T41 CarbonylContact C-O 3.52Å; V11-T41 WeakPolarHBondContact CA-O 3.25Å; K12-T41 PolarHBondContact N-O 2.81Å; K12-T41 PolarHBondContact O-N 2.92Å; T41-M43 HydrophobicContact CG2-SD 3.93Å; T41-M43 PolarHBondContact O-N 2.83Å; T41-E59 HydrophobicContact CG2-CG 4.32Å; T41-C67 HydrophobicContact CG2-CB 3.93Å; T41-C67 PolarHBondContact OG1-O 3.5Å
42V98.7Very high94.8Very high44 Ų4458.2 Ų58.227%0.26731%0.307SS..EExtended strand (participates in β ladder)trans-74.6107.9168.5177.10000107.1V9 F40 V45 F57V9-V42 HydrophobicContact CG1-CG1 3.77Å; V9-V42 HydrophobicContact CG1-CG2 4.42Å; F40-V42 HydrophobicContact CE2-CG2 4.42Å; V42-V45 HydrophobicContact CG1-CG2 4.05Å; V42-F57 HydrophobicContact CG1-CD1 4.27Å; V42-F57 HydrophobicContact CG1-CE1 4.11Å; V42-F57 WeakPolarHBondContact O-CE1 3.47Å
43M98.4Very high94.3Very high53 Ų5360.7 Ų60.726%0.26132%0.317SS..EExtended strand (participates in β ladder)trans-84.7-43.3-174.2-67.9-67-63.800111.7V10 K12 T41 E58 E59 P62V10-M43 PolarHBondContact O-N 3.12Å; K12-M43 HydrophobicContact CB-CG 3.49Å; K12-M43 VanDerWaalsContact CB-CG 3.49Å; K12-M43 HydrophobicContact CB-SD 3.83Å; K12-M43 HydrophobicContact CD-SD 4.13Å; T41-M43 HydrophobicContact CG2-SD 3.93Å; T41-M43 PolarHBondContact O-N 2.83Å; M43-E58 WeakPolarHBondContact O-CA 3.38Å; M43-E59 PolarHBondContact O-N 3.46Å; M43-P62 HydrophobicContact CE-CB 3.37Å; M43-P62 HydrophobicContact CE-CG 4.27Å; M43-P62 HydrophobicContact SD-CB 3.67Å
44R97.9Very high94Very high107 Ų10758.2 Ų58.240%0.40431%0.31SS..EExtended strand (participates in β ladder)trans-154.1141.6-172.6-169174.163.6-170.80.5110.6V10 T46 K55 F57V10-R44 HydrophobicContact CB-CB 4.32Å; V10-R44 HydrophobicContact CG2-CB 4.49Å; V10-R44 PolarHBondContact N-O 2.78Å; V10-R44 PolarHBondContact O-N 3.46Å; R44-T46 HydrophobicContact CG-CG2 4Å; R44-K55 HydrophobicContact CG-CD 4.16Å; R44-K55 HydrophobicContact CG-CG 3.92Å; R44-F57 CarbonylContact C-O 3.48Å; R44-F57 VanDerWaalsContact CA-O 3.3Å; R44-F57 WeakPolarHBondContact CA-O 3.5Å; R44-F57 VanDerWaalsContact CG-O 3.32Å; R44-F57 WeakPolarHBondContact CG-O 3.4Å
45V97.9Very high93.8Very high21 Ų2159.9 Ų59.913%0.12732%0.317CS..EExtended strand (participates in β ladder)trans-120124.1167.3-174.10000108.3F7 T8 V9 V42 I56 F57F7-V45 HydrophobicContact CB-CG1 4.12Å; F7-V45 HydrophobicContact CD1-CG1 3.94Å; F7-V45 HydrophobicContact CG-CG1 4.46Å; T8-V45 WeakPolarHBondContact O-CA 3.38Å; V9-V45 HydrophobicContact CG1-CG2 4.34Å; V9-V45 HydrophobicContact CG2-CG1 4.4Å; V9-V45 HydrophobicContact CG2-CG2 4.32Å; V42-V45 HydrophobicContact CG1-CG2 4.05Å; V45-I56 PolarHBondContact O-N 2.83Å; V45-F57 HydrophobicContact CB-CB 4.01Å; V45-F57 HydrophobicContact CG2-CB 4.12Å; V45-F57 HydrophobicContact CG2-CD1 4.11Å; V45-F57 PolarHBondContact N-O 2.83Å; V45-F57 PolarHBondContact O-N 2.91Å; V45-F57 VanDerWaalsContact O-N 3.14Å
46T97Very high93.7Very high13 Ų1364 Ų648%0.0834%0.336CS..EExtended strand (participates in β ladder)trans-118.6156.7174.259.40000110.2F7 T8 R44 V54 K55F7-T46 CarbonylContact C-O 3.59Å; F7-T46 VanDerWaalsContact CA-O 3.26Å; F7-T46 WeakPolarHBondContact CA-O 3.42Å; T8-T46 PolarHBondContact N-O 2.94Å; T8-T46 PolarHBondContact O-N 2.83Å; R44-T46 HydrophobicContact CG-CG2 4Å; T46-V54 CarbonylContact C-O 3.57Å; T46-V54 WeakPolarHBondContact CA-O 3.46Å; T46-V54 WeakPolarHBondContact CB-O 3.21Å; T46-K55 HydrophobicContact CG2-CB 4.39Å
47V94.8Very high93.6Very high8 Ų867.9 Ų67.95%0.04835%0.353CS..EExtended strand (participates in β ladder)trans-131.1140.6171.369.10000108.9V3 F7 H49 V54 I56V3-V47 HydrophobicContact CG1-CG2 3.81Å; F7-V47 HydrophobicContact CD1-CB 3.73Å; F7-V47 HydrophobicContact CD1-CG2 4Å; F7-V47 HydrophobicContact CE1-CB 3.77Å; F7-V47 HydrophobicContact CE1-CG1 4.36Å; F7-V47 HydrophobicContact CE1-CG2 3.91Å; F7-V47 HydrophobicContact CE2-CG2 4.38Å; F7-V47 HydrophobicContact CG-CB 4.4Å; F7-V47 HydrophobicContact CG-CG2 4.31Å; F7-V47 HydrophobicContact CZ-CB 4.46Å; F7-V47 HydrophobicContact CZ-CG2 4.1Å; V47-H49 PolarHBondContact O-N 2.77Å; V47-V54 HydrophobicContact CG1-CB 4.45Å; V47-V54 PolarHBondContact N-O 2.84Å; V47-V54 PolarHBondContact O-N 2.83Å; V47-I56 HydrophobicContact CB-CG1 4.27Å; V47-I56 HydrophobicContact CG1-CD1 3.75Å; V47-I56 HydrophobicContact CG1-CG1 3.76Å
48E88.2Confident93.6Very high114 Ų11469 Ų6953%0.53336%0.361SS..EExtended strand (participates in β ladder)trans-74.2126173.4-170.4169.2-152.700109.2
49H83.5Confident93.6Very high136 Ų13670.7 Ų70.763%0.6337%0.369SS*.EExtended strand (participates in β ladder)trans-132.497.7176.3-172.9-104.5000109.1V47 S51 Q52 V54V47-H49 PolarHBondContact O-N 2.77Å; H49-S51 PolarHBondContact O-N 3.42Å; H49-Q52 PolarHBondContact N-O 2.85Å; H49-Q52 PolarHBondContact O-N 3.19Å; H49-V54 HydrophobicContact CB-CG2 3.96Å
50G82.4Confident93.6Very high68 Ų6875.8 Ų75.870%0.70140%0.403SS*.THydrogen-bonded Turntrans70.6-121.5-17000000110.7
51S81.5Confident93.5Very high119 Ų11980.1 Ų80.183%0.83242%0.421SS*.THydrogen-bonded Turntrans-99.69.9179.367.70000113.9H49H49-S51 PolarHBondContact O-N 3.42Å
52Q85.4Confident93.4Very high141 Ų14182.3 Ų82.366%0.65944%0.435SS*.EExtended strand (participates in β ladder)trans-126.5142-175.6-66.6-174.3-6.100111.5H49H49-Q52 PolarHBondContact N-O 2.85Å; H49-Q52 PolarHBondContact O-N 3.19Å
53N87.4Confident93.3Very high109 Ų10986.9 Ų86.958%0.58346%0.458SS*.EExtended strand (participates in β ladder)trans-86.1112.1169.4-78.6-46000109.7
54V92.3Very high93.3Very high60 Ų6085.2 Ų85.236%0.36445%0.452SS..EExtended strand (participates in β ladder)trans-92.5130.6177.9-178.40000109.2T46 V47 H49 I56T46-V54 CarbonylContact C-O 3.57Å; T46-V54 WeakPolarHBondContact CA-O 3.46Å; T46-V54 WeakPolarHBondContact CB-O 3.21Å; V47-V54 HydrophobicContact CG1-CB 4.45Å; V47-V54 PolarHBondContact N-O 2.84Å; V47-V54 PolarHBondContact O-N 2.83Å; H49-V54 HydrophobicContact CB-CG2 3.96Å; V54-I56 HydrophobicContact CG1-CD1 4.31Å
55K94.1Very high93.2Very high111 Ų11187.6 Ų87.648%0.48347%0.468SS..EExtended strand (participates in β ladder)trans-81.3120.3177.6-170.7178.274.4-1760110.5R44 T46 E58R44-K55 HydrophobicContact CG-CD 4.16Å; R44-K55 HydrophobicContact CG-CG 3.92Å; T46-K55 HydrophobicContact CG2-CB 4.39Å; K55-E58 HydrophobicContact CD-CB 3.98Å; K55-E58 WeakPolarHBondContact CE-OE2 3.15Å; K55-E58 IonicContact NZ-OE1 3.9Å; K55-E58 IonicContact NZ-OE2 2.62Å; K55-E58 PolarHBondContact NZ-OE2 2.85Å
56I95.1Very high93.2Very high102 Ų10293.7 Ų93.752%0.52350%0.499SS..EExtended strand (participates in β ladder)trans-98.2-37.3-179.2-56.9-57.1000111.1F7 V45 V47 V54F7-I56 HydrophobicContact CE1-CG1 4.3Å; V45-I56 PolarHBondContact O-N 2.83Å; V47-I56 HydrophobicContact CB-CG1 4.27Å; V47-I56 HydrophobicContact CG1-CD1 3.75Å; V47-I56 HydrophobicContact CG1-CG1 3.76Å; V54-I56 HydrophobicContact CG1-CD1 4.31Å
57F97.5Very high93.2Very high82 Ų8293.6 Ų93.636%0.3650%0.498SS..EExtended strand (participates in β ladder)trans-140.5145178.6170.1-95.7000110V42 R44 V45 E59V42-F57 HydrophobicContact CG1-CD1 4.27Å; V42-F57 HydrophobicContact CG1-CE1 4.11Å; V42-F57 WeakPolarHBondContact O-CE1 3.47Å; R44-F57 CarbonylContact C-O 3.48Å; R44-F57 VanDerWaalsContact CA-O 3.3Å; R44-F57 WeakPolarHBondContact CA-O 3.5Å; R44-F57 VanDerWaalsContact CG-O 3.32Å; R44-F57 WeakPolarHBondContact CG-O 3.4Å; V45-F57 HydrophobicContact CB-CB 4.01Å; V45-F57 HydrophobicContact CG2-CB 4.12Å; V45-F57 HydrophobicContact CG2-CD1 4.11Å; V45-F57 PolarHBondContact N-O 2.83Å; V45-F57 PolarHBondContact O-N 2.91Å; V45-F57 VanDerWaalsContact O-N 3.14Å; F57-E59 HydrophobicContact CE1-CB 4.21Å; F57-E59 HydrophobicContact CZ-CB 4.12Å
58E98.3Very high93.4Very high101 Ų10194.3 Ų94.347%0.47250%0.504SS..EExtended strand (participates in β ladder)trans-144.1133.6167.5-173.8165-126.100108.4M43 K55 P60M43-E58 WeakPolarHBondContact O-CA 3.38Å; K55-E58 HydrophobicContact CD-CB 3.98Å; K55-E58 WeakPolarHBondContact CE-OE2 3.15Å; K55-E58 IonicContact NZ-OE1 3.9Å; K55-E58 IonicContact NZ-OE2 2.62Å; K55-E58 PolarHBondContact NZ-OE2 2.85Å; E58-P60 VanDerWaalsContact O-CD 3.25Å; E58-P60 WeakPolarHBondContact O-CD 3.16Å
59E98.4Very high93.9Very high39 Ų3994.4 Ų94.418%0.18250%0.502CS..  trans-69.2114.8178.2175.450.6-118.800109.7T41 M43 F57 K61 P62 C67T41-E59 HydrophobicContact CG2-CG 4.32Å; M43-E59 PolarHBondContact O-N 3.46Å; F57-E59 HydrophobicContact CE1-CB 4.21Å; F57-E59 HydrophobicContact CZ-CB 4.12Å; E59-K61 VanDerWaalsContact C-N 3.26Å; E59-K61 PolarHBondContact O-N 2.88Å; E59-K61 PolarHBondContact OE1-N 3.13Å; E59-P62 HydrophobicContact CG-CB 4.37Å; E59-C67 HydrophobicContact CG-CB 3.97Å; E59-C67 WeakPolarHBondContact OE2-CB 3.39Å
60P98.1Very high94.6Very high108 Ų10892 Ų9270%0.70150%0.499SS*.SBendtrans-68.2-25.3-176.927.3-37.4000113.3E58E58-P60 VanDerWaalsContact O-CD 3.25Å; E58-P60 WeakPolarHBondContact O-CD 3.16Å
61K98.1Very high95.4Very high147 Ų14793 Ų9364%0.63949%0.488SS*.SBendtrans-131.675.7-179.4-63.6-175-179.1-178.30109.9E59 N63 S64 C67E59-K61 VanDerWaalsContact C-N 3.26Å; E59-K61 PolarHBondContact O-N 2.88Å; E59-K61 PolarHBondContact OE1-N 3.13Å; K61-N63 PolarHBondContact O-N 3.25Å; K61-S64 WeakPolarHBondContact O-CB 3.32Å; K61-S64 PolarHBondContact O-N 3.3Å; K61-C67 PolarHBondContact O-SG 3.08Å
62P96.2Very high96.2Very high45 Ų4588.5 Ų88.529%0.29246%0.456SS..THydrogen-bonded Turntrans-65.6-11.1-168.225.7-36.1000115.7K12 M43 E59K12-P62 PolarHBondContact NZ-O 3.31Å; M43-P62 HydrophobicContact CE-CB 3.37Å; M43-P62 HydrophobicContact CE-CG 4.27Å; M43-P62 HydrophobicContact SD-CB 3.67Å; E59-P62 HydrophobicContact CG-CB 4.37Å
63N96.3Very high96.8Very high140 Ų14087.8 Ų87.875%0.74946%0.456SS*.THydrogen-bonded Turntrans-114.616.8176.8-62.1-30.9000112.1K12 K61K12-N63 PolarHBondContact NZ-OD1 3.02Å; K61-N63 PolarHBondContact O-N 3.25Å
64S97.8Very high97.3Very high19 Ų1983.2 Ų83.213%0.13343%0.431CS..  trans-72.3140.8172.6179.40000110.7K61 L66 C67 C68K61-S64 WeakPolarHBondContact O-CB 3.32Å; K61-S64 PolarHBondContact O-N 3.3Å; S64-L66 PolarHBondContact O-N 3Å; S64-L66 WeakPolarHBondContact OG-CB 3.47Å; S64-L66 PolarHBondContact OG-N 2.93Å; S64-C67 PolarHBondContact O-N 2.98Å; S64-C67 PolarHBondContact O-SG 2.77Å; S64-C68 PolarHBondContact O-N 2.83Å
65E96.3Very high97.6Very high156 Ų15684.9 Ų84.973%0.72944%0.437SS*.THydrogen-bonded Turntrans-58.9-26.2169.970.6-78-172.700112.2C67E65-C67 VanDerWaalsContact C-N 3.35Å; E65-C67 PolarHBondContact O-N 2.81Å
66L98.1Very high97.8Very high149 Ų14979.7 Ų79.778%0.7842%0.415SS*.THydrogen-bonded Turntrans-72.1-26.7-179.9-58.2177.5000113.3S64S64-L66 PolarHBondContact O-N 3Å; S64-L66 WeakPolarHBondContact OG-CB 3.47Å; S64-L66 PolarHBondContact OG-N 2.93Å
67C98Very high98Very high11 Ų1176.7 Ų76.77%0.07440%0.401CS..THydrogen-bonded Turntrans-99.8-17.5-177.971.80000113T41 E59 K61 S64 E65 K69T41-C67 HydrophobicContact CG2-CB 3.93Å; T41-C67 PolarHBondContact OG1-O 3.5Å; E59-C67 HydrophobicContact CG-CB 3.97Å; E59-C67 WeakPolarHBondContact OE2-CB 3.39Å; K61-C67 PolarHBondContact O-SG 3.08Å; S64-C67 PolarHBondContact O-N 2.98Å; S64-C67 PolarHBondContact O-SG 2.77Å; E65-C67 VanDerWaalsContact C-N 3.35Å; E65-C67 PolarHBondContact O-N 2.81Å; C67-K69 PolarHBondContact O-N 2.99Å; C67-K69 VanDerWaalsContact O-N 3.12Å
68C98.3Very high97.9Very high24 Ų2473.9 Ų73.916%0.16239%0.389CS..  trans-80.190.8179-166.20000110.5S39 S64S39-C68 VanDerWaalsContact CB-SG 3.51Å; S64-C68 PolarHBondContact O-N 2.83Å
69K98.6Very high97.8Very high115 Ų11572.1 Ų72.150%0.539%0.387SS..EExtended strand (participates in β ladder)trans-78.5121.5-175.8-60-165.9177.3-167.50110.2S39 F40 C67S39-K69 CarbonylContact C-O 3.42Å; S39-K69 VanDerWaalsContact CA-O 3.25Å; S39-K69 WeakPolarHBondContact CA-O 3.45Å; S39-K69 VanDerWaalsContact CB-O 3.32Å; S39-K69 WeakPolarHBondContact CB-O 3.36Å; F40-K69 HydrophobicContact CD1-CB 4.29Å; F40-K69 HydrophobicContact CE1-CB 3.93Å; F40-K69 HydrophobicContact CE2-CB 4.35Å; F40-K69 HydrophobicContact CE2-CD 4.19Å; F40-K69 HydrophobicContact CZ-CB 3.97Å; F40-K69 HydrophobicContact CZ-CD 4.07Å; F40-K69 PolarHBondContact N-O 2.76Å; F40-K69 PolarHBondContact O-N 3.08Å; C67-K69 PolarHBondContact O-N 2.99Å; C67-K69 VanDerWaalsContact O-N 3.12Å
70P98.4Very high97.8Very high86 Ų8673.3 Ų73.356%0.55840%0.395SS*.EExtended strand (participates in β ladder)trans-68136.6175.729.5-34000109.9L73P70-L73 HydrophobicContact CB-CD2 4.43Å
71L98.6Very high97.8Very high89 Ų8970.6 Ų70.647%0.46637%0.373SS..EExtended strand (participates in β ladder)trans-115-41.5177.4-177.160.6000111.7F38 F40 L91F38-L71 HydrophobicContact CD1-CB 4.35Å; F38-L71 HydrophobicContact CD1-CD2 4.03Å; F38-L71 HydrophobicContact CE1-CD2 4.18Å; F38-L71 PolarHBondContact O-N 3.34Å; F40-L71 HydrophobicContact CD1-CB 4.01Å; F40-L71 HydrophobicContact CD1-CD2 4.31Å; F40-L71 HydrophobicContact CE1-CB 4.28Å; F40-L71 HydrophobicContact CE1-CD1 4.26Å; L71-L91 HydrophobicContact CD2-CD1 4.42Å; L71-L91 HydrophobicContact CD2-CD2 4.25Å; L71-L91 HydrophobicContact CG-CD1 4.49Å; L71-L91 HydrophobicContact CG-CD2 4.29Å
72C98.7Very high97.8Very high24 Ų2470.3 Ų70.316%0.16237%0.373CS..EExtended strand (participates in β ladder)trans-141.3133.5177.1-177.50000110.5R37 F38 L91R37-C72 WeakPolarHBondContact CA-O 2.7Å; F38-C72 HydrophobicContact CB-CB 4.05Å; F38-C72 PolarHBondContact N-O 2.91Å; F38-C72 PolarHBondContact O-N 2.97Å; C72-L91 HydrophobicContact CB-CD1 3.61Å
73L98.6Very high97.9Very high127 Ų12770.5 Ų70.567%0.66537%0.374SS*.EExtended strand (participates in β ladder)trans-122.5123.1174.6-57.3177.9000107.3R37 P70R37-L73 HydrophobicContact CB-CD2 3.93Å; R37-L73 HydrophobicContact CG-CD2 3.51Å; P70-L73 HydrophobicContact CB-CD2 4.43Å
74M98.3Very high98Very high13 Ų1363.9 Ų63.96%0.06434%0.339CS..EExtended strand (participates in β ladder)trans-131.1144.117864.3-172.784.700110.6A35 V36 A76 L84 I87 L88A35-M74 CarbonylContact C-O 3.58Å; A35-M74 WeakPolarHBondContact CA-O 3.43Å; A35-M74 WeakPolarHBondContact CB-O 3.41Å; V36-M74 HydrophobicContact CB-CE 4.44Å; V36-M74 HydrophobicContact CB-CG 3.61Å; V36-M74 HydrophobicContact CB-SD 3.92Å; V36-M74 HydrophobicContact CG1-CE 4.4Å; V36-M74 HydrophobicContact CG1-CG 4.5Å; V36-M74 HydrophobicContact CG1-SD 4.37Å; V36-M74 HydrophobicContact CG2-CG 4.42Å; V36-M74 PolarHBondContact N-O 3.18Å; V36-M74 WeakPolarHBondContact O-CG 3.43Å; V36-M74 PolarHBondContact O-N 3.47Å; M74-A76 HydrophobicContact CB-CB 4.4Å; M74-A76 HydrophobicContact CG-CB 3.85Å; M74-A76 PolarHBondContact O-N 3.36Å; M74-A76 HydrophobicContact SD-CB 3.97Å; M74-L84 HydrophobicContact SD-CD1 4.26Å; M74-I87 HydrophobicContact CB-CD1 3.86Å; M74-I87 HydrophobicContact CB-CG2 4.33Å; M74-I87 HydrophobicContact CE-CB 3.95Å; M74-I87 HydrophobicContact CE-CG2 3.35Å; M74-I87 HydrophobicContact CG-CD1 4.36Å; M74-I87 HydrophobicContact SD-CB 3.93Å; M74-I87 HydrophobicContact SD-CD1 3.75Å; M74-I87 HydrophobicContact SD-CG1 4.43Å; M74-I87 HydrophobicContact SD-CG2 3.81Å; M74-L88 HydrophobicContact CE-CD1 4.44Å; M74-L88 HydrophobicContact CE-CD2 3.4Å; M74-L88 HydrophobicContact CE-CG 3.72Å
75L98.5Very high98Very high94 Ų9464.5 Ų64.549%0.49234%0.342SS..SBendtrans-89.185.9167.3-62.4177.2000107.4V21 V31 K34 A35V21-L75 HydrophobicContact CG1-CD2 4.13Å; V31-L75 HydrophobicContact CB-CB 4.09Å; V31-L75 HydrophobicContact CB-CD1 4.42Å; V31-L75 HydrophobicContact CG1-CB 4.34Å; V31-L75 HydrophobicContact CG2-CB 4.4Å; V31-L75 HydrophobicContact CG2-CD1 3.91Å; K34-L75 CarbonylContact O-C 3.51Å; K34-L75 WeakPolarHBondContact O-CA 3.36Å; A35-L75 HydrophobicContact CB-CD2 4.19Å
76A98.1Very high98.1Very high2 Ų260.2 Ų60.22%0.01733%0.333CS..SBendtrans-146160-176.900000109.5K34 A35 M74 T83K34-A76 CarbonylContact C-O 3.57Å; K34-A76 WeakPolarHBondContact CB-O 3.16Å; K34-A76 PolarHBondContact O-N 2.77Å; A35-A76 CarbonylContact C-O 3.57Å; M74-A76 HydrophobicContact CB-CB 4.4Å; M74-A76 HydrophobicContact CG-CB 3.85Å; M74-A76 PolarHBondContact O-N 3.36Å; M74-A76 HydrophobicContact SD-CB 3.97Å; A76-T83 HydrophobicContact CB-CG2 3.79Å
77D97.9Very high98.1Very high40 Ų4056.2 Ų56.221%0.21431%0.312CS..  trans-88131165.1-164.3-31.2000108.3K34 S79 D80K34-D77 HydrophobicContact CD-CB 3.7Å; K34-D77 WeakPolarHBondContact CD-OD2 3.42Å; K34-D77 WeakPolarHBondContact CE-OD2 3.46Å; D77-S79 PolarHBondContact O-N 2.89Å; D77-S79 VanDerWaalsContact O-N 3.12Å; D77-S79 VanDerWaalsContact OD1-CB 3.27Å; D77-S79 WeakPolarHBondContact OD1-CB 3.27Å; D77-S79 PolarHBondContact OD1-N 3.19Å; D77-S79 PolarHBondContact OD1-OG 3.45Å; D77-D80 HydrophobicContact CB-CB 4.2Å; D77-D80 WeakPolarHBondContact O-CB 3.43Å; D77-D80 PolarHBondContact O-N 3.26Å
78E97.1Very high98.2Very high23 Ų2355.7 Ų55.711%0.10731%0.308CS..THydrogen-bonded Turntrans-61.2-17.917264.8178.8-175.100112.8G17 V36 K126 L127G17-E78 VanDerWaalsContact CA-OE2 3.32Å; G17-E78 WeakPolarHBondContact CA-OE2 3.4Å; G17-E78 PolarHBondContact N-OE2 2.89Å; G17-E78 VanDerWaalsContact N-OE2 3.14Å; V36-E78 HydrophobicContact CG2-CB 3.82Å; E78-K126 WeakPolarHBondContact OE1-CD 3.3Å; E78-K126 WeakPolarHBondContact OE1-CE 3.43Å; E78-K126 IonicContact OE1-NZ 3.38Å; E78-K126 PolarHBondContact OE1-NZ 3.37Å; E78-L127 HydrophobicContact CB-CD1 4.24Å
79S95.9Very high98.2Very high63 Ų6357.4 Ų57.444%0.44132%0.32SS..THydrogen-bonded Turntrans-88.2-8.7177.7-310000112.6D77 H81 K126D77-S79 PolarHBondContact O-N 2.89Å; D77-S79 VanDerWaalsContact O-N 3.12Å; D77-S79 VanDerWaalsContact OD1-CB 3.27Å; D77-S79 WeakPolarHBondContact OD1-CB 3.27Å; D77-S79 PolarHBondContact OD1-N 3.19Å; D77-S79 PolarHBondContact OD1-OG 3.45Å; S79-H81 PolarHBondContact O-N 2.78Å; S79-K126 PolarHBondContact OG-NZ 2.89Å
80D97.9Very high98.2Very high64 Ų6455.1 Ų55.134%0.34232%0.317SS..  trans-8890.8169.5-178.7-30.3000107.9D77 E82 T83 L84D77-D80 HydrophobicContact CB-CB 4.2Å; D77-D80 WeakPolarHBondContact O-CB 3.43Å; D77-D80 PolarHBondContact O-N 3.26Å; D80-E82 VanDerWaalsContact C-N 3.31Å; D80-E82 PolarHBondContact O-N 3.42Å; D80-E82 PolarHBondContact OD1-N 3.37Å; D80-T83 PolarHBondContact O-N 3.43Å; D80-T83 WeakPolarHBondContact OD1-CB 3.47Å; D80-T83 PolarHBondContact OD1-N 2.88Å; D80-T83 PolarHBondContact OD1-OG1 2.88Å; D80-T83 PolarHBondContact OD2-OG1 3.16Å; D80-L84 VanDerWaalsContact O-CB 3.25Å; D80-L84 WeakPolarHBondContact O-CB 3.32Å; D80-L84 PolarHBondContact O-N 3.24Å
81H97.6Very high98.2Very high51 Ų5152.4 Ų52.424%0.23630%0.298CS..Hα-helixtrans-62.1-39.5-172.5-167.691.8000112S79 L84 T85 E130 F200S79-H81 PolarHBondContact O-N 2.78Å; H81-L84 PolarHBondContact O-N 3.43Å; H81-T85 WeakPolarHBondContact NE2-CG2 3.06Å; H81-T85 VanDerWaalsContact O-CB 3.31Å; H81-T85 WeakPolarHBondContact O-CB 3.49Å; H81-T85 VanDerWaalsContact O-CG2 3.25Å; H81-T85 WeakPolarHBondContact O-CG2 3.42Å; H81-T85 PolarHBondContact O-N 3.02Å; H81-T85 PolarHBondContact O-OG1 2.95Å; H81-E130 IonicContact CE1-OE1 2.74Å; H81-E130 IonicContact CG-OE1 2.87Å; H81-E130 IonicContact ND1-OE1 2.9Å; H81-E130 PolarHBondContact ND1-OE1 3.21Å; H81-F200 AromaticContact CE1-CE1 3.96Å
82E98.3Very high98.2Very high141 Ų14149.1 Ų49.166%0.65928%0.28SS*.Hα-helixtrans-62.2-49179.7-69.679.8178.900111.2D80 T85 A86D80-E82 VanDerWaalsContact C-N 3.31Å; D80-E82 PolarHBondContact O-N 3.42Å; D80-E82 PolarHBondContact OD1-N 3.37Å; E82-T85 PolarHBondContact O-OG1 3.34Å; E82-T85 VanDerWaalsContact O-OG1 3.12Å; E82-A86 WeakPolarHBondContact O-CB 3.46Å; E82-A86 PolarHBondContact O-N 3Å
83T98.3Very high98.2Very high50 Ų5051 Ų5131%0.30730%0.298SS..Hα-helixtrans-67.4-44.5178.6-59.90000111A76 D80 T85 A86 I87A76-T83 HydrophobicContact CB-CG2 3.79Å; D80-T83 PolarHBondContact O-N 3.43Å; D80-T83 WeakPolarHBondContact OD1-CB 3.47Å; D80-T83 PolarHBondContact OD1-N 2.88Å; D80-T83 PolarHBondContact OD1-OG1 2.88Å; D80-T83 PolarHBondContact OD2-OG1 3.16Å; T83-T85 PolarHBondContact O-N 3.49Å; T83-A86 PolarHBondContact O-N 3.33Å; T83-I87 HydrophobicContact CG2-CD1 3.82Å; T83-I87 WeakPolarHBondContact O-CG1 3.33Å; T83-I87 PolarHBondContact O-N 3.45Å
84L98.3Very high98.2Very high0 Ų050.4 Ų50.40%029%0.292CS..Hα-helixtrans-59.3-49.3179.9-175.769.3000111.5V36 M74 D80 H81 I87 L88 L127 F200V36-L84 HydrophobicContact CG1-CD1 4Å; V36-L84 HydrophobicContact CG2-CD1 4.35Å; M74-L84 HydrophobicContact SD-CD1 4.26Å; D80-L84 VanDerWaalsContact O-CB 3.25Å; D80-L84 WeakPolarHBondContact O-CB 3.32Å; D80-L84 PolarHBondContact O-N 3.24Å; H81-L84 PolarHBondContact O-N 3.43Å; L84-I87 PolarHBondContact O-N 3.23Å; L84-L88 HydrophobicContact CD1-CD1 3.53Å; L84-L88 HydrophobicContact CD1-CG 4.18Å; L84-L88 HydrophobicContact CG-CD1 3.98Å; L84-L88 WeakPolarHBondContact O-CB 3.17Å; L84-L88 WeakPolarHBondContact O-CG 3.4Å; L84-L88 PolarHBondContact O-N 3.04Å; L84-L127 HydrophobicContact CD2-CD1 4.11Å; L84-F200 HydrophobicContact CD2-CZ 4.12Å; L84-F200 HydrophobicContact CG-CZ 4.25Å
85T98.3Very high98.2Very high32 Ų3250.1 Ų50.120%0.19629%0.29CS..Hα-helixtrans-67.8-39.8179.553.20000112.2H81 E82 T83 I87 S89 F200H81-T85 WeakPolarHBondContact NE2-CG2 3.06Å; H81-T85 VanDerWaalsContact O-CB 3.31Å; H81-T85 WeakPolarHBondContact O-CB 3.49Å; H81-T85 VanDerWaalsContact O-CG2 3.25Å; H81-T85 WeakPolarHBondContact O-CG2 3.42Å; H81-T85 PolarHBondContact O-N 3.02Å; H81-T85 PolarHBondContact O-OG1 2.95Å; E82-T85 PolarHBondContact O-OG1 3.34Å; E82-T85 VanDerWaalsContact O-OG1 3.12Å; T83-T85 PolarHBondContact O-N 3.49Å; T85-I87 VanDerWaalsContact C-N 3.29Å; T85-I87 PolarHBondContact O-N 2.99Å; T85-S89 WeakPolarHBondContact O-CB 3.43Å; T85-S89 PolarHBondContact O-N 2.83Å; T85-S89 PolarHBondContact O-OG 3.37Å; T85-F200 HydrophobicContact CG2-CD1 3.73Å; T85-F200 HydrophobicContact CG2-CD2 3.93Å; T85-F200 HydrophobicContact CG2-CE1 3.63Å; T85-F200 HydrophobicContact CG2-CE2 3.83Å; T85-F200 HydrophobicContact CG2-CG 3.87Å; T85-F200 HydrophobicContact CG2-CZ 3.68Å
86A98.6Very high98.2Very high66 Ų6649.1 Ų49.155%0.54528%0.283SS..Hα-helixtrans-59.4-40.8176.600000111.9E82 T83E82-A86 WeakPolarHBondContact O-CB 3.46Å; E82-A86 PolarHBondContact O-N 3Å; T83-A86 PolarHBondContact O-N 3.33Å
87I98.5Very high98.2Very high65 Ų6551.7 Ų51.733%0.33330%0.304SS..Hα-helixtrans-81.1-40.2-178.7-62.4174.3000112.2M74 T83 L84 T85 P90M74-I87 HydrophobicContact CB-CD1 3.86Å; M74-I87 HydrophobicContact CB-CG2 4.33Å; M74-I87 HydrophobicContact CE-CB 3.95Å; M74-I87 HydrophobicContact CE-CG2 3.35Å; M74-I87 HydrophobicContact CG-CD1 4.36Å; M74-I87 HydrophobicContact SD-CB 3.93Å; M74-I87 HydrophobicContact SD-CD1 3.75Å; M74-I87 HydrophobicContact SD-CG1 4.43Å; M74-I87 HydrophobicContact SD-CG2 3.81Å; T83-I87 HydrophobicContact CG2-CD1 3.82Å; T83-I87 WeakPolarHBondContact O-CG1 3.33Å; T83-I87 PolarHBondContact O-N 3.45Å; L84-I87 PolarHBondContact O-N 3.23Å; T85-I87 VanDerWaalsContact C-N 3.29Å; T85-I87 PolarHBondContact O-N 2.99Å; I87-P90 WeakPolarHBondContact O-CD 3.19Å
88L98.7Very high98.2Very high0 Ų053 Ų530%031%0.309CS..Hα-helixtrans-86.5-24.6-174.3-68.1-176.5000114.1F38 M74 L84 P90 L91 I92 F200 I201F38-L88 HydrophobicContact CB-CD2 4Å; F38-L88 HydrophobicContact CD2-CD1 4.21Å; F38-L88 HydrophobicContact CD2-CD2 3.9Å; F38-L88 HydrophobicContact CG-CD2 4.2Å; M74-L88 HydrophobicContact CE-CD1 4.44Å; M74-L88 HydrophobicContact CE-CD2 3.4Å; M74-L88 HydrophobicContact CE-CG 3.72Å; L84-L88 HydrophobicContact CD1-CD1 3.53Å; L84-L88 HydrophobicContact CD1-CG 4.18Å; L84-L88 HydrophobicContact CG-CD1 3.98Å; L84-L88 WeakPolarHBondContact O-CB 3.17Å; L84-L88 WeakPolarHBondContact O-CG 3.4Å; L84-L88 PolarHBondContact O-N 3.04Å; L88-P90 VanDerWaalsContact C-N 3.32Å; L88-L91 HydrophobicContact CD2-CD1 3.87Å; L88-L91 WeakPolarHBondContact O-CB 3.27Å; L88-L91 PolarHBondContact O-N 3.37Å; L88-I92 WeakPolarHBondContact O-CG1 3.38Å; L88-I92 PolarHBondContact O-N 3.01Å; L88-I92 VanDerWaalsContact O-N 3.08Å; L88-F200 HydrophobicContact CB-CE2 4.27Å; L88-I201 HydrophobicContact CD1-CD1 4.04Å
89S98.5Very high98.2Very high60 Ų6055.9 Ų55.942%0.4232%0.322SS..Hα-helixtrans-55.7-34.2-177.658.30000115.2T85 I92 A93T85-S89 WeakPolarHBondContact O-CB 3.43Å; T85-S89 PolarHBondContact O-N 2.83Å; T85-S89 PolarHBondContact O-OG 3.37Å; S89-I92 PolarHBondContact O-N 3.03Å; S89-A93 PolarHBondContact O-N 2.87Å
90P98.8Very high98.1Very high67 Ų6758.1 Ų58.144%0.43534%0.337SS..Hα-helixtrans-61.6-42.3171.8-23.236000113I87 L88 I92 A93 E94I87-P90 WeakPolarHBondContact O-CD 3.19Å; L88-P90 VanDerWaalsContact C-N 3.32Å; P90-I92 VanDerWaalsContact C-N 3.31Å; P90-I92 PolarHBondContact O-N 3.34Å; P90-A93 WeakPolarHBondContact O-CB 3.35Å; P90-A93 PolarHBondContact O-N 3.28Å; P90-E94 WeakPolarHBondContact O-CG 3.34Å; P90-E94 PolarHBondContact O-N 2.95Å
91L98.7Very high98.1Very high30 Ų3057.8 Ų57.816%0.15734%0.34CS..Hα-helixtrans-65.5-37.5177.7-59.9177000111.4F38 L71 C72 L88 E94 R95F38-L91 HydrophobicContact CD1-CD1 4.46Å; F38-L91 HydrophobicContact CG-CD1 4.45Å; L71-L91 HydrophobicContact CD2-CD1 4.42Å; L71-L91 HydrophobicContact CD2-CD2 4.25Å; L71-L91 HydrophobicContact CG-CD1 4.49Å; L71-L91 HydrophobicContact CG-CD2 4.29Å; C72-L91 HydrophobicContact CB-CD1 3.61Å; L88-L91 HydrophobicContact CD2-CD1 3.87Å; L88-L91 WeakPolarHBondContact O-CB 3.27Å; L88-L91 PolarHBondContact O-N 3.37Å; L91-E94 PolarHBondContact O-N 3.49Å; L91-R95 VanDerWaalsContact O-CB 3.26Å; L91-R95 WeakPolarHBondContact O-CB 3.5Å; L91-R95 PolarHBondContact O-N 2.95Å
92I98.5Very high98Very high19 Ų1960.5 Ų60.510%0.09735%0.353CS..Hα-helixtrans-66.6-40.3175-55-50000110.8L88 S89 P90 E94 R95 E96 F200 I201L88-I92 WeakPolarHBondContact O-CG1 3.38Å; L88-I92 PolarHBondContact O-N 3.01Å; L88-I92 VanDerWaalsContact O-N 3.08Å; S89-I92 PolarHBondContact O-N 3.03Å; P90-I92 VanDerWaalsContact C-N 3.31Å; P90-I92 PolarHBondContact O-N 3.34Å; I92-E94 PolarHBondContact O-N 3.08Å; I92-R95 WeakPolarHBondContact O-CB 3.45Å; I92-R95 PolarHBondContact O-N 3.36Å; I92-E96 HydrophobicContact CG2-CG 4.46Å; I92-E96 WeakPolarHBondContact O-CG 3.42Å; I92-E96 PolarHBondContact O-N 3.04Å; I92-F200 WeakPolarHBondContact CG2-O 3.42Å; I92-I201 HydrophobicContact CD1-CB 4.25Å; I92-I201 HydrophobicContact CD1-CD1 4.06Å; I92-I201 HydrophobicContact CD1-CG1 3.8Å; I92-I201 HydrophobicContact CD1-CG2 3.87Å; I92-I201 HydrophobicContact CG1-CG1 4.04Å
93A98.5Very high98Very high64 Ų6457.5 Ų57.553%0.52934%0.341SS..Hα-helixtrans-62.2-43.3175.500000112S89 P90 E96 A97S89-A93 PolarHBondContact O-N 2.87Å; P90-A93 WeakPolarHBondContact O-CB 3.35Å; P90-A93 PolarHBondContact O-N 3.28Å; A93-E96 PolarHBondContact O-N 3.25Å; A93-A97 PolarHBondContact O-N 3.39Å
94E98.7Very high98Very high114 Ų11460.8 Ų60.853%0.53336%0.356SS..Hα-helixtrans-61.4-47.1174.1-71.9172.5-173.700111.5P90 L91 I92 E96 A97 M98P90-E94 WeakPolarHBondContact O-CG 3.34Å; P90-E94 PolarHBondContact O-N 2.95Å; L91-E94 PolarHBondContact O-N 3.49Å; I92-E94 PolarHBondContact O-N 3.08Å; E94-E96 PolarHBondContact O-N 3.41Å; E94-A97 PolarHBondContact O-N 3.43Å; E94-M98 VanDerWaalsContact O-CG 3.27Å; E94-M98 WeakPolarHBondContact O-CG 3.49Å; E94-M98 PolarHBondContact O-N 3.02Å
95R98.4Very high97.9Very high7 Ų764.8 Ų64.83%0.02638%0.377CS..Hα-helixtrans-55.7-47.8175.9177.9-163.2-177-91.55.9112E13 L91 I92 M98 K99 F118 E202E13-R95 VanDerWaalsContact CD-NE 3.31Å; E13-R95 WeakPolarHBondContact OE1-CD 3.46Å; E13-R95 IonicContact OE1-NE 3.7Å; E13-R95 PolarHBondContact OE1-NE 2.88Å; E13-R95 VanDerWaalsContact OE1-NE 3.08Å; E13-R95 IonicContact OE2-CZ 3.71Å; E13-R95 IonicContact OE2-NE 2.71Å; E13-R95 PolarHBondContact OE2-NE 2.83Å; E13-R95 IonicContact OE2-NH2 3.92Å; E13-R95 PolarHBondContact OE2-NH2 2.62Å; L91-R95 VanDerWaalsContact O-CB 3.26Å; L91-R95 WeakPolarHBondContact O-CB 3.5Å; L91-R95 PolarHBondContact O-N 2.95Å; I92-R95 WeakPolarHBondContact O-CB 3.45Å; I92-R95 PolarHBondContact O-N 3.36Å; R95-M98 PolarHBondContact O-N 3.27Å; R95-K99 WeakPolarHBondContact O-CG 3.26Å; R95-K99 PolarHBondContact O-N 2.77Å; R95-F118 HydrophobicContact CG-CB 4.27Å; R95-F118 HydrophobicContact CG-CD1 4.3Å; R95-F118 HydrophobicContact CG-CD2 3.75Å; R95-F118 HydrophobicContact CG-CE2 4.09Å; R95-F118 HydrophobicContact CG-CG 3.85Å; R95-E202 IonicContact CZ-OE2 3.84Å; R95-E202 IonicContact NH1-OE2 3.13Å; R95-E202 PolarHBondContact NH1-OE2 3Å; R95-E202 PolarHBondContact NH2-O 3.4Å; R95-E202 VanDerWaalsContact NH2-O 3.13Å; R95-E202 IonicContact NH2-OE2 2.68Å; R95-E202 PolarHBondContact NH2-OE2 3.49Å
96E97.9Very high97.9Very high74 Ų7470 Ų7035%0.34640%0.399SS..Hα-helixtrans-64.7-39.6178.7-70.5-48.6121.900112.5I92 A93 E94 M98 K99I92-E96 HydrophobicContact CG2-CG 4.46Å; I92-E96 WeakPolarHBondContact O-CG 3.42Å; I92-E96 PolarHBondContact O-N 3.04Å; A93-E96 PolarHBondContact O-N 3.25Å; E94-E96 PolarHBondContact O-N 3.41Å; E96-M98 VanDerWaalsContact C-N 3.3Å; E96-M98 PolarHBondContact O-N 2.86Å; E96-K99 PolarHBondContact O-N 3.22Å; E96-K99 WeakPolarHBondContact OE1-CD 3.45Å; E96-K99 IonicContact OE1-NZ 3.56Å; E96-K99 PolarHBondContact OE1-NZ 2.95Å; E96-K99 IonicContact OE2-NZ 3.32Å; E96-K99 PolarHBondContact OE2-NZ 3.13Å
97A98.4Very high97.7Very high56 Ų5670.6 Ų70.646%0.46339%0.392SS..Hα-helixtrans-62.1-39.6172.700000111.6A93 E94 S100 S101A93-A97 PolarHBondContact O-N 3.39Å; E94-A97 PolarHBondContact O-N 3.43Å; A97-S100 PolarHBondContact O-N 3.26Å; A97-S100 PolarHBondContact O-OG 2.62Å; A97-S101 WeakPolarHBondContact O-CB 3.49Å; A97-S101 PolarHBondContact O-N 2.8Å; A97-S101 PolarHBondContact O-OG 2.74Å
98M98.3Very high97.4Very high66 Ų6671.5 Ų71.533%0.32542%0.416SS..Hα-helixtrans-68.1-32.5177.9-71.6177.67500113.4E94 R95 E96 S100 S101 F116 F118E94-M98 VanDerWaalsContact O-CG 3.27Å; E94-M98 WeakPolarHBondContact O-CG 3.49Å; E94-M98 PolarHBondContact O-N 3.02Å; R95-M98 PolarHBondContact O-N 3.27Å; E96-M98 VanDerWaalsContact C-N 3.3Å; E96-M98 PolarHBondContact O-N 2.86Å; M98-S100 PolarHBondContact O-N 3.38Å; M98-S101 WeakPolarHBondContact CA-OG 3.32Å; M98-S101 PolarHBondContact O-N 2.78Å; M98-S101 PolarHBondContact O-OG 2.65Å; M98-F116 HydrophobicContact CE-CD1 4.39Å; M98-F116 HydrophobicContact CE-CD2 3.71Å; M98-F116 HydrophobicContact CE-CE1 4.45Å; M98-F116 HydrophobicContact CE-CE2 3.78Å; M98-F116 HydrophobicContact CE-CG 4.03Å; M98-F116 HydrophobicContact CE-CZ 4.16Å; M98-F118 HydrophobicContact CB-CE2 3.67Å; M98-F118 HydrophobicContact CB-CZ 3.8Å; M98-F118 HydrophobicContact CE-CZ 3.82Å; M98-F118 HydrophobicContact SD-CZ 3.93Å
99K97.3Very high97.3Very high85 Ų8574.2 Ų74.237%0.3744%0.444SS..Hα-helixtrans-61.8-27.8177.7-78.2170.156.7-1660113.6R95 E96 F118 E202R95-K99 WeakPolarHBondContact O-CG 3.26Å; R95-K99 PolarHBondContact O-N 2.77Å; E96-K99 PolarHBondContact O-N 3.22Å; E96-K99 WeakPolarHBondContact OE1-CD 3.45Å; E96-K99 IonicContact OE1-NZ 3.56Å; E96-K99 PolarHBondContact OE1-NZ 2.95Å; E96-K99 IonicContact OE2-NZ 3.32Å; E96-K99 PolarHBondContact OE2-NZ 3.13Å; K99-F118 HydrophobicContact CD-CD2 4.42Å; K99-F118 HydrophobicContact CG-CD2 3.71Å; K99-F118 HydrophobicContact CG-CE2 4.16Å; K99-E202 IonicContact NZ-OE1 3.76Å; K99-E202 IonicContact NZ-OE2 3.63Å; K99-E202 PolarHBondContact NZ-OE2 3.06Å
100S94.6Very high97.1Very high109 Ų10973 Ų7376%0.76243%0.433SS*.THydrogen-bonded Turntrans-110.110.5-175.857.50000113.5A97 M98A97-S100 PolarHBondContact O-N 3.26Å; A97-S100 PolarHBondContact O-OG 2.62Å; M98-S100 PolarHBondContact O-N 3.38Å
101S96.5Very high97Very high57 Ų5773.2 Ų73.240%0.39944%0.435SS..  trans-127171.8-178.159.70000112.6A97 M98A97-S101 WeakPolarHBondContact O-CB 3.49Å; A97-S101 PolarHBondContact O-N 2.8Å; A97-S101 PolarHBondContact O-OG 2.74Å; M98-S101 WeakPolarHBondContact CA-OG 3.32Å; M98-S101 PolarHBondContact O-N 2.78Å; M98-S101 PolarHBondContact O-OG 2.65Å
102E96.9Very high96.9Very high109 Ų10973.7 Ų73.751%0.50943%0.434SS..  trans-121.4133.4174.6-63.7-177.3177.100108.7T113 F114 K115E102-T113 HydrophobicContact CB-CG2 3.73Å; E102-T113 HydrophobicContact CG-CG2 4.17Å; E102-T113 WeakPolarHBondContact OE2-CG2 3.47Å; E102-F114 CarbonylContact C-O 3.52Å; E102-F114 WeakPolarHBondContact CA-O 3.32Å; E102-K115 HydrophobicContact CG-CD 4.48Å; E102-K115 HydrophobicContact CG-CG 3.96Å; E102-K115 WeakPolarHBondContact OE1-CE 3.39Å; E102-K115 IonicContact OE1-NZ 2.83Å; E102-K115 PolarHBondContact OE1-NZ 3.44Å
103L97.8Very high96.8Very high78 Ų7874.4 Ų74.441%0.40844%0.439SS..EExtended strand (participates in β ladder)trans-92.8119.2174.5174.368.3000109.6L105 T113 F114 F116L103-L105 HydrophobicContact CG-CB 4.49Å; L103-T113 CarbonylContact O-C 3.55Å; L103-T113 WeakPolarHBondContact O-CA 3.26Å; L103-F114 HydrophobicContact CB-CB 4.31Å; L103-F114 PolarHBondContact N-O 3.06Å; L103-F114 PolarHBondContact O-N 3.43Å; L103-F116 HydrophobicContact CB-CE2 3.82Å; L103-F116 HydrophobicContact CB-CZ 4.45Å; L103-F116 HydrophobicContact CD2-CE2 4.02Å; L103-F116 HydrophobicContact CD2-CZ 3.86Å
104L97.6Very high96.8Very high119 Ų11972.5 Ų72.562%0.62342%0.419SS*.EExtended strand (participates in β ladder)trans-89.2120168-17370.2000109.4P111 R112L104-P111 HydrophobicContact CD1-CB 3.87Å; L104-P111 HydrophobicContact CG-CB 4.45Å; L104-R112 WeakPolarHBondContact CA-O 3.42Å
105L97.2Very high96.7Very high83 Ų8370.8 Ų70.844%0.43541%0.41SS..EExtended strand (participates in β ladder)trans-134.4127.4-179.3-177.266.8000110.4L103 M107 R112 F114L103-L105 HydrophobicContact CG-CB 4.49Å; L105-M107 HydrophobicContact CD2-CG 4.04Å; L105-M107 HydrophobicContact CD2-SD 4.16Å; L105-M107 HydrophobicContact CG-CG 4.07Å; L105-M107 PolarHBondContact O-N 3.14Å; L105-R112 PolarHBondContact N-O 3.33Å; L105-R112 PolarHBondContact O-N 3.49Å; L105-F114 HydrophobicContact CB-CD2 4.25Å; L105-F114 HydrophobicContact CB-CE2 4.05Å
106E96.6Very high96.7Very high141 Ų14172.2 Ų72.266%0.65942%0.417SS*.EExtended strand (participates in β ladder)trans-74.9121.9174.1-166.7-177.8157.800110.6
107M95.2Very high96.8Very high80 Ų8072.4 Ų72.439%0.39442%0.419SS..EExtended strand (participates in β ladder)trans-135.6111.7-178.7-71.5-173.870.300111.1L105 G109 I110 R112 F114L105-M107 HydrophobicContact CD2-CG 4.04Å; L105-M107 HydrophobicContact CD2-SD 4.16Å; L105-M107 HydrophobicContact CG-CG 4.07Å; L105-M107 PolarHBondContact O-N 3.14Å; M107-G109 VanDerWaalsContact C-N 3.34Å; M107-I110 PolarHBondContact N-O 2.91Å; M107-I110 PolarHBondContact O-N 3.2Å; M107-R112 PolarHBondContact O-NH1 3.08Å; M107-F114 HydrophobicContact SD-CE2 3.93Å; M107-F114 HydrophobicContact SD-CZ 3.48Å; M107-F114 WeakPolarHBondContact SD-CZ 3.48Å
108G93.1Very high96.8Very high83 Ų8371 Ų7186%0.85640%0.403SS*.THydrogen-bonded Turntrans65.936.6-177.800000112.8I110G108-I110 VanDerWaalsContact C-N 3.31Å; G108-I110 PolarHBondContact O-N 2.93Å
109G94.8Very high96.8Very high57 Ų5773.4 Ų73.459%0.58841%0.408SS*.THydrogen-bonded Turntrans78.57.7-17900000115M107M107-G109 VanDerWaalsContact C-N 3.34Å
110I96.1Very high96.8Very high34 Ų3469.4 Ų69.417%0.17439%0.391CS..EExtended strand (participates in β ladder)trans-123.2122.8-177.4-54.1176.7000108.9Y2 M107 G108 R112Y2-I110 HydrophobicContact CD1-CD1 3.45Å; Y2-I110 VanDerWaalsContact CD1-CD1 3.45Å; Y2-I110 HydrophobicContact CE1-CD1 4.2Å; Y2-I110 HydrophobicContact CG-CD1 4.16Å; M107-I110 PolarHBondContact N-O 2.91Å; M107-I110 PolarHBondContact O-N 3.2Å; G108-I110 VanDerWaalsContact C-N 3.31Å; G108-I110 PolarHBondContact O-N 2.93Å; I110-R112 HydrophobicContact CG2-CG 4.43Å; I110-R112 PolarHBondContact O-N 3.45Å
111P96.7Very high97Very high73 Ų7365.9 Ų65.947%0.47437%0.365SS..EExtended strand (participates in β ladder)trans-62.9122.5169.4-20.132.4000110.2S4 L104S4-P111 WeakPolarHBondContact CB-O 3.48Å; L104-P111 HydrophobicContact CD1-CB 3.87Å; L104-P111 HydrophobicContact CG-CB 4.45Å
112R96.1Very high97.1Very high40 Ų4064.2 Ų64.215%0.15136%0.356CS..EExtended strand (participates in β ladder)trans-120.8144177.6-60.4-156177.197.18111.2D1 V3 S4 F7 L104 L105 M107 I110 F114D1-R112 PolarHBondContact O-NH2 3.47Å; V3-R112 WeakPolarHBondContact O-CD 3.25Å; V3-R112 PolarHBondContact O-NE 2.7Å; S4-R112 CarbonylContact O-C 3.56Å; S4-R112 VanDerWaalsContact O-CA 3.28Å; S4-R112 WeakPolarHBondContact O-CA 3.14Å; F7-R112 HydrophobicContact CD2-CB 4.41Å; F7-R112 HydrophobicContact CE2-CB 4.16Å; F7-R112 HydrophobicContact CE2-CG 4.28Å; L104-R112 WeakPolarHBondContact CA-O 3.42Å; L105-R112 PolarHBondContact N-O 3.33Å; L105-R112 PolarHBondContact O-N 3.49Å; M107-R112 PolarHBondContact O-NH1 3.08Å; I110-R112 HydrophobicContact CG2-CG 4.43Å; I110-R112 PolarHBondContact O-N 3.45Å; R112-F114 HydrophobicContact CB-CE2 3.62Å; R112-F114 HydrophobicContact CB-CZ 3.93Å
113T96.9Very high97.2Very high33 Ų3359.3 Ų59.320%0.20233%0.333CS..EExtended strand (participates in β ladder)trans-105.7131.2-176.8-56.70000110.7S4 F7 E102 L103S4-T113 PolarHBondContact O-N 3.02Å; F7-T113 WeakPolarHBondContact CD2-O 3.49Å; F7-T113 PolarHBondContact N-O 3.47Å; E102-T113 HydrophobicContact CB-CG2 3.73Å; E102-T113 HydrophobicContact CG-CG2 4.17Å; E102-T113 WeakPolarHBondContact OE2-CG2 3.47Å; L103-T113 CarbonylContact O-C 3.55Å; L103-T113 WeakPolarHBondContact O-CA 3.26Å
114F97.7Very high97.2Very high24 Ų2457.3 Ų57.311%0.10532%0.323CS..EExtended strand (participates in β ladder)trans-123.8137.9-178-61.3-92.3000111.8F7 V9 E102 L103 L105 M107 R112 F116F7-F114 HydrophobicContact CB-CD1 3.49Å; F7-F114 VanDerWaalsContact CB-CD1 3.49Å; F7-F114 HydrophobicContact CB-CE1 3.68Å; F7-F114 HydrophobicContact CB-CG 4.32Å; F7-F114 HydrophobicContact CD2-CD1 4.44Å; F7-F114 HydrophobicContact CD2-CE1 4.03Å; F7-F114 HydrophobicContact CD2-CZ 4.24Å; F7-F114 HydrophobicContact CG-CD1 4.15Å; F7-F114 AromaticContact CG-CE1 3.82Å; F7-F114 HydrophobicContact CG-CE1 3.82Å; F7-F114 HydrophobicContact CG-CZ 4.46Å; F7-F114 CarbonylContact O-C 3.46Å; F7-F114 WeakPolarHBondContact O-CA 3.34Å; V9-F114 HydrophobicContact CG2-CB 4.35Å; V9-F114 HydrophobicContact CG2-CD1 3.71Å; V9-F114 HydrophobicContact CG2-CG 4.47Å; E102-F114 CarbonylContact C-O 3.52Å; E102-F114 WeakPolarHBondContact CA-O 3.32Å; L103-F114 HydrophobicContact CB-CB 4.31Å; L103-F114 PolarHBondContact N-O 3.06Å; L103-F114 PolarHBondContact O-N 3.43Å; L105-F114 HydrophobicContact CB-CD2 4.25Å; L105-F114 HydrophobicContact CB-CE2 4.05Å; M107-F114 HydrophobicContact SD-CE2 3.93Å; M107-F114 HydrophobicContact SD-CZ 3.48Å; M107-F114 WeakPolarHBondContact SD-CZ 3.48Å; R112-F114 HydrophobicContact CB-CE2 3.62Å; R112-F114 HydrophobicContact CB-CZ 3.93Å; F114-F116 HydrophobicContact CB-CE2 4.22Å; F114-F116 HydrophobicContact CB-CZ 4.18Å
115K97.6Very high97.2Very high79 Ų7955.7 Ų55.734%0.34331%0.312SS..EExtended strand (participates in β ladder)trans-112.9146.5168.8-68.4179.3-179.5-176.60108.9P6 F7 V9 E102P6-K115 HydrophobicContact CB-CD 4.42Å; F7-K115 PolarHBondContact O-N 2.9Å; V9-K115 PolarHBondContact N-O 3.44Å; E102-K115 HydrophobicContact CG-CD 4.48Å; E102-K115 HydrophobicContact CG-CG 3.96Å; E102-K115 WeakPolarHBondContact OE1-CE 3.39Å; E102-K115 IonicContact OE1-NZ 2.83Å; E102-K115 PolarHBondContact OE1-NZ 3.44Å
116F98.3Very high97.3Very high37 Ų3756.1 Ų56.116%0.16231%0.311CS..EExtended strand (participates in β ladder)trans-114.5135.4-178.3-62.8-86000111.4V9 V11 M98 L103 F114 F118V9-F116 HydrophobicContact CB-CD1 3.73Å; V9-F116 HydrophobicContact CB-CE1 3.87Å; V9-F116 HydrophobicContact CG1-CD1 4.05Å; V9-F116 HydrophobicContact CG1-CE1 4.04Å; V9-F116 HydrophobicContact CG2-CD1 4.33Å; V9-F116 HydrophobicContact CG2-CE1 4.04Å; V9-F116 WeakPolarHBondContact O-CA 3.36Å; V11-F116 HydrophobicContact CG2-CD1 4.01Å; M98-F116 HydrophobicContact CE-CD1 4.39Å; M98-F116 HydrophobicContact CE-CD2 3.71Å; M98-F116 HydrophobicContact CE-CE1 4.45Å; M98-F116 HydrophobicContact CE-CE2 3.78Å; M98-F116 HydrophobicContact CE-CG 4.03Å; M98-F116 HydrophobicContact CE-CZ 4.16Å; L103-F116 HydrophobicContact CB-CE2 3.82Å; L103-F116 HydrophobicContact CB-CZ 4.45Å; L103-F116 HydrophobicContact CD2-CE2 4.02Å; L103-F116 HydrophobicContact CD2-CZ 3.86Å; F114-F116 HydrophobicContact CB-CE2 4.22Å; F114-F116 HydrophobicContact CB-CZ 4.18Å; F116-F118 HydrophobicContact CB-CD2 4.27Å; F116-F118 HydrophobicContact CB-CE1 4.37Å; F116-F118 HydrophobicContact CB-CE2 3.59Å; F116-F118 HydrophobicContact CB-CZ 3.65Å; F116-F118 HydrophobicContact CG-CZ 4.17Å
117I98.5Very high97.4Very high77 Ų7749.6 Ų49.640%0.39528%0.28SS..EExtended strand (participates in β ladder)trans-116.4107.6166.9-60.7177.4000106.6T8 V9 V10 V11 R119T8-I117 HydrophobicContact CG2-CD1 3.49Å; T8-I117 VanDerWaalsContact CG2-CD1 3.49Å; T8-I117 HydrophobicContact CG2-CG1 3.85Å; V9-I117 PolarHBondContact O-N 2.82Å; V10-I117 WeakPolarHBondContact CA-O 3.48Å; V11-I117 PolarHBondContact N-O 3.14Å; I117-R119 HydrophobicContact CG2-CG 4.26Å
118F98.8Very high97.5Very high28 Ų2846.7 Ų46.712%0.12327%0.267CS..EExtended strand (participates in β ladder)trans-85.3133.2175.9-59-81.3000110.2V11 E13 R95 M98 K99 F116V11-F118 HydrophobicContact CB-CD1 3.86Å; V11-F118 HydrophobicContact CB-CE1 4.24Å; V11-F118 HydrophobicContact CG1-CD1 4.03Å; V11-F118 HydrophobicContact CG1-CE1 4.32Å; V11-F118 HydrophobicContact CG2-CD1 4.4Å; V11-F118 HydrophobicContact CG2-CE1 4.33Å; V11-F118 CarbonylContact O-C 3.56Å; V11-F118 WeakPolarHBondContact O-CA 3.28Å; E13-F118 HydrophobicContact CG-CB 4.34Å; E13-F118 HydrophobicContact CG-CD1 4.22Å; E13-F118 WeakPolarHBondContact OE2-CB 3.37Å; R95-F118 HydrophobicContact CG-CB 4.27Å; R95-F118 HydrophobicContact CG-CD1 4.3Å; R95-F118 HydrophobicContact CG-CD2 3.75Å; R95-F118 HydrophobicContact CG-CE2 4.09Å; R95-F118 HydrophobicContact CG-CG 3.85Å; M98-F118 HydrophobicContact CB-CE2 3.67Å; M98-F118 HydrophobicContact CB-CZ 3.8Å; M98-F118 HydrophobicContact CE-CZ 3.82Å; M98-F118 HydrophobicContact SD-CZ 3.93Å; K99-F118 HydrophobicContact CD-CD2 4.42Å; K99-F118 HydrophobicContact CG-CD2 3.71Å; K99-F118 HydrophobicContact CG-CE2 4.16Å; F116-F118 HydrophobicContact CB-CD2 4.27Å; F116-F118 HydrophobicContact CB-CE1 4.37Å; F116-F118 HydrophobicContact CB-CE2 3.59Å; F116-F118 HydrophobicContact CB-CZ 3.65Å; F116-F118 HydrophobicContact CG-CZ 4.17Å
119R98.6Very high97.8Very high116 Ų11643 Ų4344%0.43823%0.227SC..EExtended strand (participates in β ladder)trans-126.894.7178.2-62.8-164.975.990.1-2.2109.2V10 V11 E13 I117 T121 V204V10-R119 HydrophobicContact CG1-CG 4.18Å; V11-R119 PolarHBondContact O-N 2.95Å; E13-R119 PolarHBondContact N-O 3.39Å; I117-R119 HydrophobicContact CG2-CG 4.26Å; R119-T121 HydrophobicContact CB-CG2 4.36Å; R119-T121 PolarHBondContact O-N 2.98Å; R119-T121 PolarHBondContact O-OG1 2.91Å; R119-V204 HydrophobicContact CB-CG2 4Å; R119-V204 HydrophobicContact CG-CG2 4.33Å
120G98.3Very high97.9Very high1 Ų143.5 Ų43.51%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-70.292.9174.600000111.4Y123 V204G120-Y123 VanDerWaalsContact CA-CE2 3.43Å; G120-V204 PolarHBondContact O-N 2.86Å
121T98.4Very high98.1Very high35 Ų3542 Ų4222%0.21521%0.206CC..EExtended strand (participates in β ladder)trans-131.8-15.4-173.548.70000113.9K12 E13 R119 Y123 V204K12-T121 WeakPolarHBondContact CG-OG1 3.48Å; E13-T121 PolarHBondContact O-N 2.84Å; R119-T121 HydrophobicContact CB-CG2 4.36Å; R119-T121 PolarHBondContact O-N 2.98Å; R119-T121 PolarHBondContact O-OG1 2.91Å; T121-Y123 VanDerWaalsContact C-N 3.3Å; T121-Y123 PolarHBondContact O-N 2.91Å; T121-V204 HydrophobicContact CG2-CB 3.74Å; T121-V204 HydrophobicContact CG2-CG1 4.07Å; T121-V204 HydrophobicContact CG2-CG2 4.35Å
122G97.9Very high98.2Very high21 Ų2138.7 Ų38.722%0.21619%0.185CC..EExtended strand (participates in β ladder)trans-92.757.3175.900000112.1E13 S14 C15E13-G122 PolarHBondContact O-N 3.31Å; S14-G122 CarbonylContact C-O 3.48Å; S14-G122 WeakPolarHBondContact CA-O 3.39Å; S14-G122 WeakPolarHBondContact CB-O 3.32Å; C15-G122 PolarHBondContact N-O 2.98Å
123Y98.4Very high98.3Very high6 Ų636.8 Ų36.82%0.02418%0.178CC..  trans-127135.8177.9-58.4-104.4000106.9E13 C15 F38 G120 T121 L127E13-Y123 HydrophobicContact CB-CE2 4.44Å; C15-Y123 HydrophobicContact CB-CD1 3.68Å; C15-Y123 HydrophobicContact CB-CE1 3.33Å; F38-Y123 WeakPolarHBondContact CE2-OH 3.38Å; G120-Y123 VanDerWaalsContact CA-CE2 3.43Å; T121-Y123 VanDerWaalsContact C-N 3.3Å; T121-Y123 PolarHBondContact O-N 2.91Å; Y123-L127 HydrophobicContact CD1-CD2 3.76Å; Y123-L127 HydrophobicContact CD1-CG 4.12Å; Y123-L127 HydrophobicContact CE1-CD2 4.5Å
124D98.2Very high98.4Very high36 Ų3635.8 Ų35.819%0.19317%0.171CC..  trans-70.8165.5171.277.7-2.1000110.7K126 L127 V128D124-K126 PolarHBondContact O-N 2.84Å; D124-K126 PolarHBondContact OD1-N 3.06Å; D124-L127 PolarHBondContact O-N 3.18Å; D124-L127 WeakPolarHBondContact OD1-CB 3.28Å; D124-L127 PolarHBondContact OD1-N 3.37Å; D124-V128 WeakPolarHBondContact O-CG2 3.3Å; D124-V128 PolarHBondContact O-N 3.32Å
125E98.6Very high98.4Very high86 Ų8636.3 Ų36.340%0.40217%0.174SC..Hα-helixtrans-61.5-33.1-176.8-166-169.1151.300112.2R129 T144E125-R129 WeakPolarHBondContact O-CB 3.39Å; E125-R129 VanDerWaalsContact O-CG 3.24Å; E125-R129 WeakPolarHBondContact O-CG 3.41Å; E125-R129 PolarHBondContact O-N 3.28Å; E125-R129 IonicContact OE1-CZ 3.36Å; E125-R129 VanDerWaalsContact OE1-CZ 3.23Å; E125-R129 IonicContact OE1-NE 2.78Å; E125-R129 PolarHBondContact OE1-NE 2.88Å; E125-R129 IonicContact OE1-NH2 2.68Å; E125-R129 PolarHBondContact OE1-NH2 3.32Å; E125-T144 HydrophobicContact CG-CG2 3.71Å
126K98.2Very high98.4Very high92 Ų9236.1 Ų36.140%0.419%0.187SC..Hα-helixtrans-61.2-52.2178.5179.9-166168.7-161.10110E78 S79 D124 R129 E130E78-K126 WeakPolarHBondContact OE1-CD 3.3Å; E78-K126 WeakPolarHBondContact OE1-CE 3.43Å; E78-K126 IonicContact OE1-NZ 3.38Å; E78-K126 PolarHBondContact OE1-NZ 3.37Å; S79-K126 PolarHBondContact OG-NZ 2.89Å; D124-K126 PolarHBondContact O-N 2.84Å; D124-K126 PolarHBondContact OD1-N 3.06Å; K126-R129 PolarHBondContact O-N 3.42Å; K126-E130 PolarHBondContact O-N 2.93Å
127L98.2Very high98.2Very high3 Ų336.8 Ų36.82%0.01620%0.196CC..Hα-helixtrans-70.3-37.3-178.5-171.561.3000111.6C15 E78 L84 Y123 D124 R129 E130 V131C15-L127 HydrophobicContact CB-CD2 3.68Å; C15-L127 VanDerWaalsContact O-CD2 3.27Å; C15-L127 WeakPolarHBondContact O-CD2 3.17Å; E78-L127 HydrophobicContact CB-CD1 4.24Å; L84-L127 HydrophobicContact CD2-CD1 4.11Å; Y123-L127 HydrophobicContact CD1-CD2 3.76Å; Y123-L127 HydrophobicContact CD1-CG 4.12Å; Y123-L127 HydrophobicContact CE1-CD2 4.5Å; D124-L127 PolarHBondContact O-N 3.18Å; D124-L127 WeakPolarHBondContact OD1-CB 3.28Å; D124-L127 PolarHBondContact OD1-N 3.37Å; L127-R129 VanDerWaalsContact C-N 3.29Å; L127-R129 PolarHBondContact O-N 2.88Å; L127-E130 PolarHBondContact O-N 3.44Å; L127-V131 HydrophobicContact CD1-CG1 3.86Å; L127-V131 HydrophobicContact CG-CG1 4.14Å; L127-V131 WeakPolarHBondContact O-CG1 3.31Å; L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 3.1Å
128V98.7Very high98.1Very high20 Ų2036.6 Ų36.612%0.12121%0.214CC..Hα-helixtrans-55.2-48.2171.6171.20000110.2D124 E130 V131 E132 T144D124-V128 WeakPolarHBondContact O-CG2 3.3Å; D124-V128 PolarHBondContact O-N 3.32Å; V128-E130 VanDerWaalsContact C-N 3.34Å; V128-E130 PolarHBondContact O-N 3.1Å; V128-V131 PolarHBondContact O-N 2.94Å; V128-E132 HydrophobicContact CG1-CG 4.28Å; V128-E132 WeakPolarHBondContact O-CB 3.35Å; V128-E132 PolarHBondContact O-N 3.39Å; V128-T144 HydrophobicContact CG1-CG2 3.92Å
129R98.6Very high98.1Very high4 Ų435.8 Ų35.82%0.01521%0.212CC..Hα-helixtrans-61.1-44179.2-72.5170.3173.6-76.1-3.1111.9E125 K126 L127 G133 L134 E135 S137 Y141 I142 T144E125-R129 WeakPolarHBondContact O-CB 3.39Å; E125-R129 VanDerWaalsContact O-CG 3.24Å; E125-R129 WeakPolarHBondContact O-CG 3.41Å; E125-R129 PolarHBondContact O-N 3.28Å; E125-R129 IonicContact OE1-CZ 3.36Å; E125-R129 VanDerWaalsContact OE1-CZ 3.23Å; E125-R129 IonicContact OE1-NE 2.78Å; E125-R129 PolarHBondContact OE1-NE 2.88Å; E125-R129 IonicContact OE1-NH2 2.68Å; E125-R129 PolarHBondContact OE1-NH2 3.32Å; K126-R129 PolarHBondContact O-N 3.42Å; L127-R129 VanDerWaalsContact C-N 3.29Å; L127-R129 PolarHBondContact O-N 2.88Å; R129-G133 PolarHBondContact O-N 2.97Å; R129-G133 VanDerWaalsContact O-N 3.08Å; R129-L134 HydrophobicContact CB-CB 3.97Å; R129-L134 HydrophobicContact CG-CB 3.95Å; R129-L134 HydrophobicContact CG-CD1 4.18Å; R129-L134 PolarHBondContact O-N 2.75Å; R129-E135 VanDerWaalsContact CD-O 3.28Å; R129-E135 WeakPolarHBondContact CD-O 3.49Å; R129-E135 PolarHBondContact NH1-O 2.93Å; R129-S137 WeakPolarHBondContact CD-OG 3.33Å; R129-Y141 PolarHBondContact NH1-O 3.28Å; R129-Y141 PolarHBondContact NH2-O 2.65Å; R129-I142 PolarHBondContact NH2-O 2.92Å; R129-T144 HydrophobicContact CG-CG2 3.78Å
130E98.2Very high98.1Very high69 Ų6933 Ų3332%0.32221%0.207SC..Hα-helixtrans-60.6-48.2178.6-169.560.4-146.700112.3H81 K126 L127 V128H81-E130 IonicContact CE1-OE1 2.74Å; H81-E130 IonicContact CG-OE1 2.87Å; H81-E130 IonicContact ND1-OE1 2.9Å; H81-E130 PolarHBondContact ND1-OE1 3.21Å; K126-E130 PolarHBondContact O-N 2.93Å; L127-E130 PolarHBondContact O-N 3.44Å; V128-E130 VanDerWaalsContact C-N 3.34Å; V128-E130 PolarHBondContact O-N 3.1Å
131V98.3Very high98.1Very high1 Ų133.5 Ų33.51%0.00621%0.209CC..Hα-helixtrans-83.5-22.7-173.8-52.30000114L127 V128 P199 F200 I201 T203L127-V131 HydrophobicContact CD1-CG1 3.86Å; L127-V131 HydrophobicContact CG-CG1 4.14Å; L127-V131 WeakPolarHBondContact O-CG1 3.31Å; L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 3.1Å; V128-V131 PolarHBondContact O-N 2.94Å; V131-P199 CarbonylContact O-C 3.22Å; V131-P199 WeakPolarHBondContact O-CA 3.41Å; V131-F200 HydrophobicContact CB-CD1 4.19Å; V131-F200 HydrophobicContact CB-CE1 3.74Å; V131-F200 HydrophobicContact CB-CZ 4.27Å; V131-F200 HydrophobicContact CG1-CE1 3.62Å; V131-F200 HydrophobicContact CG1-CZ 3.84Å; V131-F200 PolarHBondContact O-N 3.21Å; V131-I201 HydrophobicContact CB-CB 3.95Å; V131-I201 HydrophobicContact CB-CD1 4.19Å; V131-I201 HydrophobicContact CB-CG1 3.99Å; V131-I201 HydrophobicContact CG1-CD1 3.91Å; V131-I201 HydrophobicContact CG1-CG1 4.25Å; V131-I201 HydrophobicContact CG2-CB 3.99Å; V131-I201 PolarHBondContact O-N 3.44Å; V131-T203 HydrophobicContact CG2-CG2 3.66Å
132E98.8Very high98.1Very high4 Ų434.4 Ų34.42%0.01921%0.212CC..THydrogen-bonded Turntrans-95.47.3173.7-69.1-74.9-172.500113.1V128 L134 H166 N169 P199 T203V128-E132 HydrophobicContact CG1-CG 4.28Å; V128-E132 WeakPolarHBondContact O-CB 3.35Å; V128-E132 PolarHBondContact O-N 3.39Å; E132-L134 VanDerWaalsContact C-N 3.3Å; E132-L134 HydrophobicContact CB-CD1 4.49Å; E132-L134 HydrophobicContact CB-CG 4.1Å; E132-L134 PolarHBondContact O-N 2.83Å; E132-H166 IonicContact OE1-ND1 3.55Å; E132-H166 WeakPolarHBondContact OE2-CA 3.3Å; E132-H166 IonicContact OE2-CG 3.39Å; E132-H166 IonicContact OE2-ND1 3.18Å; E132-H166 PolarHBondContact OE2-ND1 3Å; E132-N169 PolarHBondContact OE2-ND2 3.5Å; E132-N169 VanDerWaalsContact OE2-ND2 3.14Å; E132-P199 WeakPolarHBondContact O-CG 3.44Å; E132-T203 HydrophobicContact CG-CG2 4.04Å; E132-T203 WeakPolarHBondContact CG-OG1 3.25Å; E132-T203 WeakPolarHBondContact OE1-CA 3.39Å; E132-T203 WeakPolarHBondContact OE1-CB 3.35Å; E132-T203 PolarHBondContact OE1-N 3.22Å; E132-T203 PolarHBondContact OE1-OG1 3.18Å
133G98.4Very high98.1Very high1 Ų134.9 Ų34.91%0.0121%0.211CC..THydrogen-bonded Turntrans69.224.3172.700000115.2R129 V195 S196 A197R129-G133 PolarHBondContact O-N 2.97Å; R129-G133 VanDerWaalsContact O-N 3.08Å; G133-V195 WeakPolarHBondContact O-CA 3.3Å; G133-S196 PolarHBondContact O-N 3.32Å; G133-S196 VanDerWaalsContact O-N 3.12Å; G133-A197 WeakPolarHBondContact CA-O 3.5Å; G133-A197 PolarHBondContact O-N 2.92Å
134L98.7Very high98.1Very high12 Ų1235.5 Ų35.56%0.06322%0.216CC..BIsolated β-bridgetrans-88.6150.3179-47.3-175000110.4R129 E132 T144 V195R129-L134 HydrophobicContact CB-CB 3.97Å; R129-L134 HydrophobicContact CG-CB 3.95Å; R129-L134 HydrophobicContact CG-CD1 4.18Å; R129-L134 PolarHBondContact O-N 2.75Å; E132-L134 VanDerWaalsContact C-N 3.3Å; E132-L134 HydrophobicContact CB-CD1 4.49Å; E132-L134 HydrophobicContact CB-CG 4.1Å; E132-L134 PolarHBondContact O-N 2.83Å; L134-T144 HydrophobicContact CD1-CG2 3.88Å; L134-V195 HydrophobicContact CD2-CG2 3.71Å
135E98.4Very high98.1Very high35 Ų3535.2 Ų35.216%0.16421%0.214CC..PPolyproline II helixtrans-56.3150.3166.6-71.5170.5-175.700112.2R129 S139 R189 G194R129-E135 VanDerWaalsContact CD-O 3.28Å; R129-E135 WeakPolarHBondContact CD-O 3.49Å; R129-E135 PolarHBondContact NH1-O 2.93Å; E135-S139 WeakPolarHBondContact OE2-CB 3.22Å; E135-S139 PolarHBondContact OE2-OG 3.47Å; E135-R189 WeakPolarHBondContact OE1-CD 3.32Å; E135-R189 WeakPolarHBondContact OE1-CG 3.26Å; E135-R189 IonicContact OE1-CZ 3.34Å; E135-R189 IonicContact OE1-NE 2.64Å; E135-R189 PolarHBondContact OE1-NE 2.87Å; E135-R189 IonicContact OE1-NH2 3.74Å; E135-R189 IonicContact OE2-CZ 3.74Å; E135-R189 IonicContact OE2-NE 2.87Å; E135-R189 PolarHBondContact OE2-NE 3.38Å; E135-R189 IonicContact OE2-NH2 2.96Å; E135-R189 PolarHBondContact OE2-NH2 2.71Å; E135-G194 WeakPolarHBondContact CG-O 3.37Å; E135-G194 PolarHBondContact N-O 3.43Å
136A97.1Very high98.1Very high75 Ų7531.6 Ų31.662%0.6220%0.198SC*.PPolyproline II helixtrans-56.7162.7179.400000113.5G138 S139A136-G138 PolarHBondContact O-N 2.88Å; A136-S139 VanDerWaalsContact O-CB 3.22Å; A136-S139 WeakPolarHBondContact O-CB 3.4Å; A136-S139 PolarHBondContact O-N 2.83Å
137S95.4Very high98.1Very high50 Ų5029 Ų2935%0.3519%0.188SC..THydrogen-bonded Turntrans-59.9-16.1-172.7-43.90000115.4R129 S139 R150R129-S137 WeakPolarHBondContact CD-OG 3.33Å; S137-S139 PolarHBondContact O-N 2.99Å; S137-R150 PolarHBondContact O-NH2 3.23Å
138G96.4Very high98.1Very high74 Ų7429.3 Ų29.376%0.76319%0.192SC*.THydrogen-bonded Turntrans-75.4-6171.400000114.7A136A136-G138 PolarHBondContact O-N 2.88Å
139S98Very high98.1Very high11 Ų1129.6 Ų29.68%0.07719%0.194CC..SBendtrans-59.7160.9179.5-178.90000112.9E135 A136 S137 Y141 R150 R189E135-S139 WeakPolarHBondContact OE2-CB 3.22Å; E135-S139 PolarHBondContact OE2-OG 3.47Å; A136-S139 VanDerWaalsContact O-CB 3.22Å; A136-S139 WeakPolarHBondContact O-CB 3.4Å; A136-S139 PolarHBondContact O-N 2.83Å; S137-S139 PolarHBondContact O-N 2.99Å; S139-Y141 VanDerWaalsContact C-N 3.28Å; S139-Y141 PolarHBondContact OG-N 2.55Å; S139-R150 PolarHBondContact O-NH2 3.4Å; S139-R189 PolarHBondContact OG-NH2 3.17Å
140V98.3Very high98.1Very high56 Ų5634.7 Ų34.734%0.33921%0.213SC..SBendtrans-65.6-32.616467.60000111I142 T149 R150V140-I142 PolarHBondContact O-N 2.79Å; V140-T149 HydrophobicContact CG2-CG2 4.05Å; V140-T149 CarbonylContact O-C 3.35Å; V140-T149 WeakPolarHBondContact O-CA 3.37Å; V140-R150 PolarHBondContact O-N 2.92Å
141Y98.6Very high98.1Very high12 Ų1236.7 Ų36.75%0.04723%0.225CC..BIsolated β-bridgetrans-80.898.2173.6-60.3-72.8000109.6R129 S139 T149 R189 D190 K193R129-Y141 PolarHBondContact NH1-O 3.28Å; R129-Y141 PolarHBondContact NH2-O 2.65Å; S139-Y141 VanDerWaalsContact C-N 3.28Å; S139-Y141 PolarHBondContact OG-N 2.55Å; Y141-T149 HydrophobicContact CD1-CG2 4.31Å; Y141-T149 HydrophobicContact CE1-CG2 3.98Å; Y141-R189 HydrophobicContact CE2-CG 4.39Å; Y141-D190 WeakPolarHBondContact OH-CA 3.25Å; Y141-D190 WeakPolarHBondContact OH-CB 3.46Å; Y141-D190 PolarHBondContact OH-OD1 3.11Å; Y141-K193 HydrophobicContact CD1-CB 4.09Å; Y141-K193 HydrophobicContact CD1-CD 4.41Å; Y141-K193 HydrophobicContact CE1-CB 4.03Å; Y141-K193 HydrophobicContact CE1-CD 3.7Å
142I98.3Very high98.1Very high55 Ų5541.4 Ų41.428%0.28225%0.247SC..  trans-81.1-19.1-165-169.1167000113.9R129 V140 A148 R150 A153R129-I142 PolarHBondContact NH2-O 2.92Å; V140-I142 PolarHBondContact O-N 2.79Å; I142-A148 PolarHBondContact N-O 3.21Å; I142-R150 HydrophobicContact CB-CB 4.34Å; I142-R150 HydrophobicContact CD1-CB 4.4Å; I142-R150 HydrophobicContact CD1-CG 4.03Å; I142-A153 HydrophobicContact CG2-CB 3.91Å
143C98.4Very high98.1Very high30 Ų3042.1 Ų42.120%0.20325%0.254CS..  trans-115.6140.8-168.1-1660000112.2L145 C146 R164C143-L145 VanDerWaalsContact C-N 3.32Å; C143-L145 PolarHBondContact SG-N 2.76Å; C143-C146 WeakPolarHBondContact CB-SG 3.32Å; C143-C146 PolarHBondContact SG-N 3.28Å; C143-C146 VanDerWaalsContact SG-N 3.42Å; C143-C146 VanDerWaalsContact SG-SG 3.6Å; C143-R164 PolarHBondContact O-NE 3.49Å
144T98.7Very high98.1Very high20 Ų2045.5 Ų45.512%0.12328%0.277CS..SBendtrans-85.1-7.5169.959.10000112.7E125 V128 R129 L134 R164E125-T144 HydrophobicContact CG-CG2 3.71Å; V128-T144 HydrophobicContact CG1-CG2 3.92Å; R129-T144 HydrophobicContact CG-CG2 3.78Å; L134-T144 HydrophobicContact CD1-CG2 3.88Å; T144-R164 VanDerWaalsContact O-CD 3.27Å; T144-R164 WeakPolarHBondContact O-CD 3.46Å
145L98.6Very high98.1Very high29 Ų2951.7 Ų51.715%0.15231%0.306CS..SBendtrans-108-27.4-178.5-5987.2000113.3C143 I162 T163 R164 P205 I207C143-L145 VanDerWaalsContact C-N 3.32Å; C143-L145 PolarHBondContact SG-N 2.76Å; L145-I162 HydrophobicContact CB-CG1 4.35Å; L145-I162 HydrophobicContact CB-CG2 4.4Å; L145-I162 HydrophobicContact CD2-CD1 4.07Å; L145-I162 HydrophobicContact CD2-CG1 4.11Å; L145-I162 CarbonylContact O-C 3.59Å; L145-I162 WeakPolarHBondContact O-CA 3.19Å; L145-T163 PolarHBondContact O-N 3.02Å; L145-R164 PolarHBondContact O-N 3.3Å; L145-P205 HydrophobicContact CD2-CB 4.38Å; L145-P205 HydrophobicContact CG-CB 4.2Å; L145-I207 HydrophobicContact CD1-CG1 4.5Å
146C98.4Very high98Very high11 Ų1153 Ų537%0.07431%0.314CS..SBendtrans-135.6174.1-178.475.90000112.3C143 S161 T163 R164C143-C146 WeakPolarHBondContact CB-SG 3.32Å; C143-C146 PolarHBondContact SG-N 3.28Å; C143-C146 VanDerWaalsContact SG-N 3.42Å; C143-C146 VanDerWaalsContact SG-SG 3.6Å; C146-S161 VanDerWaalsContact CB-O 3.24Å; C146-S161 WeakPolarHBondContact CB-O 3.33Å; C146-T163 WeakPolarHBondContact CA-OG1 3.22Å; C146-R164 PolarHBondContact O-NE 3.32Å
147D98.5Very high98Very high36 Ų3655.5 Ų55.519%0.19332%0.316CS..  trans-96.35.2-174.2-61.5-41.6000114.4T149 T163 R164 R172 K193D147-T149 PolarHBondContact O-N 3.24Å; D147-T163 PolarHBondContact OD2-OG1 3.24Å; D147-R164 IonicContact OD1-CZ 3.45Å; D147-R164 IonicContact OD1-NE 2.77Å; D147-R164 PolarHBondContact OD1-NE 3.5Å; D147-R164 IonicContact OD1-NH2 3.54Å; D147-R172 IonicContact OD1-CZ 3.22Å; D147-R172 IonicContact OD1-NH1 3.23Å; D147-R172 PolarHBondContact OD1-NH1 3.28Å; D147-R172 IonicContact OD1-NH2 2.8Å; D147-R172 PolarHBondContact OD1-NH2 3.01Å; D147-R172 VanDerWaalsContact OD1-NH2 3.1Å; D147-R172 IonicContact OD2-CZ 3.93Å; D147-R172 IonicContact OD2-NH1 2.79Å; D147-R172 IonicContact OD2-NH2 3.26Å; D147-R172 PolarHBondContact OD2-NH2 3.23Å; D147-K193 HydrophobicContact CB-CB 4.24Å; D147-K193 HydrophobicContact CB-CD 4.11Å; D147-K193 HydrophobicContact CB-CG 3.88Å
148A98.3Very high98.1Very high11 Ų1158.4 Ų58.49%0.09133%0.331CS..  trans-61.7136.7-176.400000111.5I142 A153I142-A148 PolarHBondContact N-O 3.21Å; A148-A153 HydrophobicContact CB-CB 4.44Å
149T98.6Very high98.2Very high25 Ų2562.8 Ų62.815%0.15333%0.33CS..BIsolated β-bridgetrans-72.7159.9164.963.90000110.5V140 Y141 D147 L151 E152 A153V140-T149 HydrophobicContact CG2-CG2 4.05Å; V140-T149 CarbonylContact O-C 3.35Å; V140-T149 WeakPolarHBondContact O-CA 3.37Å; Y141-T149 HydrophobicContact CD1-CG2 4.31Å; Y141-T149 HydrophobicContact CE1-CG2 3.98Å; D147-T149 PolarHBondContact O-N 3.24Å; T149-L151 PolarHBondContact O-N 3.48Å; T149-E152 WeakPolarHBondContact CB-OE2 3.5Å; T149-E152 PolarHBondContact N-OE2 2.77Å; T149-E152 PolarHBondContact O-N 3.29Å; T149-E152 WeakPolarHBondContact OG1-CB 3.49Å; T149-E152 WeakPolarHBondContact OG1-CG 3.47Å; T149-E152 PolarHBondContact OG1-N 2.71Å; T149-E152 PolarHBondContact OG1-OE2 2.86Å; T149-A153 VanDerWaalsContact O-CB 3.3Å; T149-A153 WeakPolarHBondContact O-CB 3.04Å; T149-A153 PolarHBondContact O-N 3.12Å
150R98.2Very high98.2Very high111 Ų11165.9 Ų65.942%0.41934%0.343SS..Hα-helixtrans-57.7-37.2175.5-175.5173.4-50.8-94.6-0.2111.9S137 S139 V140 I142 S154S137-R150 PolarHBondContact O-NH2 3.23Å; S139-R150 PolarHBondContact O-NH2 3.4Å; V140-R150 PolarHBondContact O-N 2.92Å; I142-R150 HydrophobicContact CB-CB 4.34Å; I142-R150 HydrophobicContact CD1-CB 4.4Å; I142-R150 HydrophobicContact CD1-CG 4.03Å; R150-S154 WeakPolarHBondContact O-CB 3.03Å; R150-S154 PolarHBondContact O-N 3.48Å
151L98.4Very high98.1Very high112 Ų11267.2 Ų67.259%0.58636%0.355SS*.Hα-helixtrans-67.6-50.7177.3179.661.1000111T149 A153 S154 Q155T149-L151 PolarHBondContact O-N 3.48Å; L151-A153 VanDerWaalsContact C-N 3.32Å; L151-A153 PolarHBondContact O-N 3.02Å; L151-S154 PolarHBondContact O-N 3.42Å; L151-S154 VanDerWaalsContact O-N 3.14Å; L151-S154 PolarHBondContact O-OG 2.93Å; L151-Q155 WeakPolarHBondContact O-CG 3.27Å; L151-Q155 PolarHBondContact O-N 3.49Å
152E98.2Very high98.1Very high100 Ų10071.8 Ų71.847%0.46738%0.379SS..Hα-helixtrans-59.7-44.1177.3-71.4164.2153.900111.4T149 S154 Q155 N156T149-E152 WeakPolarHBondContact CB-OE2 3.5Å; T149-E152 PolarHBondContact N-OE2 2.77Å; T149-E152 PolarHBondContact O-N 3.29Å; T149-E152 WeakPolarHBondContact OG1-CB 3.49Å; T149-E152 WeakPolarHBondContact OG1-CG 3.47Å; T149-E152 PolarHBondContact OG1-N 2.71Å; T149-E152 PolarHBondContact OG1-OE2 2.86Å; E152-S154 VanDerWaalsContact C-N 3.28Å; E152-S154 PolarHBondContact O-N 2.99Å; E152-Q155 PolarHBondContact O-N 3.4Å; E152-Q155 VanDerWaalsContact O-N 3.1Å; E152-N156 WeakPolarHBondContact O-CB 3.49Å; E152-N156 PolarHBondContact O-N 3.39Å
153A98.2Very high98.1Very high19 Ų1971.9 Ų71.916%0.15738%0.382CS..Hα-helixtrans-60.9-37.417700000111.9I142 A148 T149 L151 Q155 L157I142-A153 HydrophobicContact CG2-CB 3.91Å; A148-A153 HydrophobicContact CB-CB 4.44Å; T149-A153 VanDerWaalsContact O-CB 3.3Å; T149-A153 WeakPolarHBondContact O-CB 3.04Å; T149-A153 PolarHBondContact O-N 3.12Å; L151-A153 VanDerWaalsContact C-N 3.32Å; L151-A153 PolarHBondContact O-N 3.02Å; A153-Q155 VanDerWaalsContact C-N 3.29Å; A153-Q155 PolarHBondContact O-N 2.89Å; A153-L157 WeakPolarHBondContact O-CA 3.49Å; A153-L157 PolarHBondContact O-N 3.03Å
154S98.1Very high98.1Very high71 Ų7170.7 Ų70.750%0.49737%0.373SS..Hα-helixtrans-68.8-24.6176.575.90000114R150 L151 E152R150-S154 WeakPolarHBondContact O-CB 3.03Å; R150-S154 PolarHBondContact O-N 3.48Å; L151-S154 PolarHBondContact O-N 3.42Å; L151-S154 VanDerWaalsContact O-N 3.14Å; L151-S154 PolarHBondContact O-OG 2.93Å; E152-S154 VanDerWaalsContact C-N 3.28Å; E152-S154 PolarHBondContact O-N 2.99Å
155Q98.3Very high98.1Very high142 Ų14272 Ų7266%0.66438%0.383SS*.Hα-helixtrans-89.4-43.7179.2-67.9172.4-15.800111.7L151 E152 A153L151-Q155 WeakPolarHBondContact O-CG 3.27Å; L151-Q155 PolarHBondContact O-N 3.49Å; E152-Q155 PolarHBondContact O-N 3.4Å; E152-Q155 VanDerWaalsContact O-N 3.1Å; A153-Q155 VanDerWaalsContact C-N 3.29Å; A153-Q155 PolarHBondContact O-N 2.89Å
156N97.4Very high98.1Very high64 Ų6472.2 Ų72.234%0.34238%0.383SS..Hα-helixtrans-83.7-40.8-176.3-174.7-12.3000112E152 V158 F159E152-N156 WeakPolarHBondContact O-CB 3.49Å; E152-N156 PolarHBondContact O-N 3.39Å; N156-V158 PolarHBondContact O-N 3.38Å; N156-F159 PolarHBondContact ND2-O 2.84Å; N156-F159 WeakPolarHBondContact OD1-CA 3.25Å; N156-F159 WeakPolarHBondContact OD1-CB 3.09Å; N156-F159 WeakPolarHBondContact OD1-CD2 3.31Å; N156-F159 PolarHBondContact OD1-N 2.89Å
157L96.5Very high98.1Very high126 Ų12674.4 Ų74.466%0.6640%0.402SS*.SBendtrans63-58.4-179.3-57.8168.6000114.6A153 H160A153-L157 WeakPolarHBondContact O-CA 3.49Å; A153-L157 PolarHBondContact O-N 3.03Å; L157-H160 PolarHBondContact O-ND1 3.03Å
158V97.7Very high98.2Very high111 Ų11175.2 Ų75.267%0.67341%0.405SS*.SBendtrans-118.1-19-163-60.60000115N156 H160N156-V158 PolarHBondContact O-N 3.38Å; V158-H160 PolarHBondContact O-N 3.38Å
159F97.8Very high98.2Very high167 Ų16774.9 Ų74.973%0.73240%0.401SS*.  trans-97.977-177.9-54.6-73.1000112.1N156N156-F159 PolarHBondContact ND2-O 2.84Å; N156-F159 WeakPolarHBondContact OD1-CA 3.25Å; N156-F159 WeakPolarHBondContact OD1-CB 3.09Å; N156-F159 WeakPolarHBondContact OD1-CD2 3.31Å; N156-F159 PolarHBondContact OD1-N 2.89Å
160H97.9Very high98.2Very high76 Ų7676.4 Ų76.435%0.35241%0.408SS..  trans-126147.2173.1-54.694.2000109.9L157 V158L157-H160 PolarHBondContact O-ND1 3.03Å; V158-H160 PolarHBondContact O-N 3.38Å
161S98.1Very high98.2Very high83 Ų8377.3 Ų77.358%0.5842%0.417SS*.  trans-109.4153.9169.357.60000110.2C146 T163C146-S161 VanDerWaalsContact CB-O 3.24Å; C146-S161 WeakPolarHBondContact CB-O 3.33Å; S161-T163 PolarHBondContact O-N 2.99Å
162I98.6Very high98.2Very high109 Ų10973.1 Ų73.156%0.55939%0.394SS*.  trans-68.5117.2168.7-57.3177.8000107.3L145 P205L145-I162 HydrophobicContact CB-CG1 4.35Å; L145-I162 HydrophobicContact CB-CG2 4.4Å; L145-I162 HydrophobicContact CD2-CD1 4.07Å; L145-I162 HydrophobicContact CD2-CG1 4.11Å; L145-I162 CarbonylContact O-C 3.59Å; L145-I162 WeakPolarHBondContact O-CA 3.19Å; I162-P205 HydrophobicContact CG2-CB 3.74Å; I162-P205 HydrophobicContact CG2-CG 4.32Å
163T97.8Very high98.3Very high56 Ų5670.6 Ų70.634%0.34438%0.38SS..  trans-110.4-42.5176.458.50000111L145 C146 D147 S161L145-T163 PolarHBondContact O-N 3.02Å; C146-T163 WeakPolarHBondContact CA-OG1 3.22Å; D147-T163 PolarHBondContact OD2-OG1 3.24Å; S161-T163 PolarHBondContact O-N 2.99Å
164R98.6Very high98.3Very high6 Ų673 Ų732%0.02339%0.388CS..  trans-67.8146.8-175.2-65.5178.7-178.7-97.43.1112.7C143 T144 L145 C146 D147 K193 P205C143-R164 PolarHBondContact O-NE 3.49Å; T144-R164 VanDerWaalsContact O-CD 3.27Å; T144-R164 WeakPolarHBondContact O-CD 3.46Å; L145-R164 PolarHBondContact O-N 3.3Å; C146-R164 PolarHBondContact O-NE 3.32Å; D147-R164 IonicContact OD1-CZ 3.45Å; D147-R164 IonicContact OD1-NE 2.77Å; D147-R164 PolarHBondContact OD1-NE 3.5Å; D147-R164 IonicContact OD1-NH2 3.54Å; R164-K193 PolarHBondContact NH2-O 3.04Å; R164-P205 VanDerWaalsContact O-CG 3.26Å; R164-P205 WeakPolarHBondContact O-CG 3.48Å
165S98.7Very high98.3Very high46 Ų4671.4 Ų71.432%0.32238%0.375SS..  trans-152161.1169.264.10000109.9A167 E168 N169S165-A167 VanDerWaalsContact C-N 3.28Å; S165-A167 PolarHBondContact O-N 3.47Å; S165-E168 PolarHBondContact O-N 2.84Å; S165-E168 VanDerWaalsContact O-N 3.13Å; S165-E168 WeakPolarHBondContact OG-CB 3.38Å; S165-E168 PolarHBondContact OG-N 3.04Å; S165-N169 VanDerWaalsContact O-CG 3.26Å; S165-N169 PolarHBondContact O-N 3Å; S165-N169 PolarHBondContact O-ND2 3.25Å
166H98.7Very high98.4Very high34 Ų3467.8 Ų67.816%0.15736%0.356CS..Hα-helixtrans-54.4-44.3176-174.768.7000112.9E132 E168 N169 L170 I201 E202E132-H166 IonicContact OE1-ND1 3.55Å; E132-H166 WeakPolarHBondContact OE2-CA 3.3Å; E132-H166 IonicContact OE2-CG 3.39Å; E132-H166 IonicContact OE2-ND1 3.18Å; E132-H166 PolarHBondContact OE2-ND1 3Å; H166-E168 PolarHBondContact O-N 3.28Å; H166-N169 PolarHBondContact O-N 3.27Å; H166-L170 WeakPolarHBondContact O-CG 3.48Å; H166-L170 PolarHBondContact O-N 3.13Å; H166-I201 PolarHBondContact CE1-O 3.13Å; H166-I201 PolarHBondContact ND1-O 2.68Å; H166-E202 HydrophobicContact CB-CB 4.05Å; H166-E202 HydrophobicContact CB-CG 3.67Å; H166-E202 WeakPolarHBondContact ND1-CA 3.39Å
167A98.6Very high98.4Very high58 Ų5871.9 Ų71.948%0.47937%0.367SS..Hα-helixtrans-62.9-40.7178.300000112.3S165 L170 Q171S165-A167 VanDerWaalsContact C-N 3.28Å; S165-A167 PolarHBondContact O-N 3.47Å; A167-L170 PolarHBondContact O-N 3.24Å; A167-Q171 WeakPolarHBondContact O-CG 3.34Å; A167-Q171 PolarHBondContact O-N 2.99Å
168E98.8Very high98.5Very high52 Ų5269 Ų6924%0.24336%0.357CS..Hα-helixtrans-69.1-40.7176-172.9-178.8-169.900111.7S165 H166 L170 Q171 R172S165-E168 PolarHBondContact O-N 2.84Å; S165-E168 VanDerWaalsContact O-N 3.13Å; S165-E168 WeakPolarHBondContact OG-CB 3.38Å; S165-E168 PolarHBondContact OG-N 3.04Å; H166-E168 PolarHBondContact O-N 3.28Å; E168-L170 VanDerWaalsContact C-N 3.29Å; E168-L170 PolarHBondContact O-N 3.39Å; E168-Q171 WeakPolarHBondContact O-CB 3.24Å; E168-Q171 PolarHBondContact O-N 3.05Å; E168-Q171 VanDerWaalsContact O-N 3.11Å; E168-R172 VanDerWaalsContact CD-NH2 3.32Å; E168-R172 HydrophobicContact CG-CG 4.31Å; E168-R172 WeakPolarHBondContact O-CG 3.42Å; E168-R172 PolarHBondContact O-N 2.82Å; E168-R172 IonicContact OE1-CZ 3.48Å; E168-R172 VanDerWaalsContact OE1-CZ 3.26Å; E168-R172 IonicContact OE1-NE 2.79Å; E168-R172 PolarHBondContact OE1-NE 3.42Å; E168-R172 VanDerWaalsContact OE1-NE 3.13Å; E168-R172 IonicContact OE1-NH2 2.71Å; E168-R172 PolarHBondContact OE1-NH2 3.06Å; E168-R172 IonicContact OE2-NH2 3.57Å
169N98.8Very high98.6Very high4 Ų465.7 Ų65.72%0.02134%0.336CS..Hα-helixtrans-60.4-39.9176.4-66.7-24.3000111E132 S165 H166 Q171 R172 Y173 V195 P199E132-N169 PolarHBondContact OE2-ND2 3.5Å; E132-N169 VanDerWaalsContact OE2-ND2 3.14Å; S165-N169 VanDerWaalsContact O-CG 3.26Å; S165-N169 PolarHBondContact O-N 3Å; S165-N169 PolarHBondContact O-ND2 3.25Å; H166-N169 PolarHBondContact O-N 3.27Å; N169-Q171 VanDerWaalsContact C-N 3.34Å; N169-Q171 PolarHBondContact O-N 3.25Å; N169-R172 PolarHBondContact O-N 3.43Å; N169-Y173 WeakPolarHBondContact O-CB 3.43Å; N169-Y173 PolarHBondContact O-N 3.2Å; N169-V195 HydrophobicContact CB-CG1 4.45Å; N169-V195 WeakPolarHBondContact O-CG1 3.39Å; N169-P199 HydrophobicContact CB-CB 4.41Å; N169-P199 HydrophobicContact CB-CG 3.47Å; N169-P199 VanDerWaalsContact CB-CG 3.47Å
170L98.9Very high98.6Very high57 Ų5761 Ų6130%0.29832%0.321SS..Hα-helixtrans-59.8-44.2173.8-76.6166.3000111.7H166 A167 E168 Y173 E174 K198 P199H166-L170 WeakPolarHBondContact O-CG 3.48Å; H166-L170 PolarHBondContact O-N 3.13Å; A167-L170 PolarHBondContact O-N 3.24Å; E168-L170 VanDerWaalsContact C-N 3.29Å; E168-L170 PolarHBondContact O-N 3.39Å; L170-Y173 PolarHBondContact O-N 2.86Å; L170-E174 PolarHBondContact O-N 3.47Å; L170-K198 HydrophobicContact CD2-CG 4.43Å; L170-P199 HydrophobicContact CD2-CB 4.24Å; L170-P199 HydrophobicContact CD2-CG 4.28Å; L170-P199 HydrophobicContact CG-CB 4.31Å; L170-P199 HydrophobicContact CG-CG 4.25Å
171Q98.8Very high98.6Very high130 Ų13063.9 Ų63.961%0.60733%0.33SS*.Hα-helixtrans-63.9-44.2177-68.2171.5200111.7A167 E168 N169 Y173 E174 V175A167-Q171 WeakPolarHBondContact O-CG 3.34Å; A167-Q171 PolarHBondContact O-N 2.99Å; E168-Q171 WeakPolarHBondContact O-CB 3.24Å; E168-Q171 PolarHBondContact O-N 3.05Å; E168-Q171 VanDerWaalsContact O-N 3.11Å; N169-Q171 VanDerWaalsContact C-N 3.34Å; N169-Q171 PolarHBondContact O-N 3.25Å; Q171-Y173 VanDerWaalsContact C-N 3.34Å; Q171-Y173 PolarHBondContact O-N 3.44Å; Q171-E174 PolarHBondContact O-N 2.79Å; Q171-V175 WeakPolarHBondContact O-CG2 3.38Å; Q171-V175 PolarHBondContact O-N 2.86Å
172R98.8Very high98.6Very high25 Ų2568 Ų689%0.09434%0.34CS..Hα-helixtrans-62.9-40.1177.7-71.8174.6178.7-160.44.3111.8D147 E168 N169 V175 W176 V192 V195D147-R172 IonicContact OD1-CZ 3.22Å; D147-R172 IonicContact OD1-NH1 3.23Å; D147-R172 PolarHBondContact OD1-NH1 3.28Å; D147-R172 IonicContact OD1-NH2 2.8Å; D147-R172 PolarHBondContact OD1-NH2 3.01Å; D147-R172 VanDerWaalsContact OD1-NH2 3.1Å; D147-R172 IonicContact OD2-CZ 3.93Å; D147-R172 IonicContact OD2-NH1 2.79Å; D147-R172 IonicContact OD2-NH2 3.26Å; D147-R172 PolarHBondContact OD2-NH2 3.23Å; E168-R172 VanDerWaalsContact CD-NH2 3.32Å; E168-R172 HydrophobicContact CG-CG 4.31Å; E168-R172 WeakPolarHBondContact O-CG 3.42Å; E168-R172 PolarHBondContact O-N 2.82Å; E168-R172 IonicContact OE1-CZ 3.48Å; E168-R172 VanDerWaalsContact OE1-CZ 3.26Å; E168-R172 IonicContact OE1-NE 2.79Å; E168-R172 PolarHBondContact OE1-NE 3.42Å; E168-R172 VanDerWaalsContact OE1-NE 3.13Å; E168-R172 IonicContact OE1-NH2 2.71Å; E168-R172 PolarHBondContact OE1-NH2 3.06Å; E168-R172 IonicContact OE2-NH2 3.57Å; N169-R172 PolarHBondContact O-N 3.43Å; R172-V175 WeakPolarHBondContact O-CB 3.42Å; R172-V175 PolarHBondContact O-N 3.13Å; R172-W176 PolarHBondContact O-N 3.3Å; R172-V192 HydrophobicContact CB-CB 4.17Å; R172-V192 WeakPolarHBondContact O-CG1 3.2Å; R172-V195 HydrophobicContact CB-CB 3.85Å; R172-V195 HydrophobicContact CB-CG1 4.09Å; R172-V195 HydrophobicContact CB-CG2 4Å
173Y98.9Very high98.7Very high46 Ų4664.6 Ų64.618%0.1832%0.322CS..Hα-helixtrans-62.4-41.3172.9172.7-101.8000112.3N169 L170 Q171 V175 W176 R177 A197 K198N169-Y173 WeakPolarHBondContact O-CB 3.43Å; N169-Y173 PolarHBondContact O-N 3.2Å; L170-Y173 PolarHBondContact O-N 2.86Å; Q171-Y173 VanDerWaalsContact C-N 3.34Å; Q171-Y173 PolarHBondContact O-N 3.44Å; Y173-V175 VanDerWaalsContact C-N 3.3Å; Y173-V175 PolarHBondContact O-N 3.31Å; Y173-W176 WeakPolarHBondContact O-CB 3.46Å; Y173-W176 PolarHBondContact O-N 2.99Å; Y173-R177 HydrophobicContact CE1-CB 4.43Å; Y173-R177 WeakPolarHBondContact O-CB 3.3Å; Y173-R177 PolarHBondContact O-N 2.79Å; Y173-A197 VanDerWaalsContact CD2-O 3.25Å; Y173-A197 WeakPolarHBondContact CD2-O 3.36Å; Y173-K198 HydrophobicContact CD1-CB 3.76Å; Y173-K198 HydrophobicContact CD1-CD 4.14Å; Y173-K198 HydrophobicContact CD1-CG 3.64Å; Y173-K198 HydrophobicContact CD2-CB 4.14Å; Y173-K198 HydrophobicContact CE1-CB 3.55Å; Y173-K198 HydrophobicContact CE1-CD 3.75Å; Y173-K198 HydrophobicContact CE1-CG 3.65Å; Y173-K198 HydrophobicContact CE2-CB 3.95Å; Y173-K198 HydrophobicContact CG-CB 4.03Å; Y173-K198 HydrophobicContact CG-CG 4.26Å
174E98.8Very high98.7Very high69 Ų6964.3 Ų64.332%0.32232%0.322SS..Hα-helixtrans-65.3-35.6176-69.3-55.9147.900111.9L170 Q171 R177 S178L170-E174 PolarHBondContact O-N 3.47Å; Q171-E174 PolarHBondContact O-N 2.79Å; E174-R177 IonicContact OE2-CZ 2.76Å; E174-R177 IonicContact OE2-NE 3.79Å; E174-R177 PolarHBondContact OE2-NE 3.3Å; E174-R177 IonicContact OE2-NH2 3.52Å; E174-R177 PolarHBondContact OE2-NH2 3Å; E174-S178 VanDerWaalsContact O-CB 3.27Å; E174-S178 WeakPolarHBondContact O-CB 3.27Å; E174-S178 PolarHBondContact O-N 3.39Å; E174-S178 PolarHBondContact O-OG 3.14Å
175V98.9Very high98.7Very high38 Ų3868 Ų6823%0.2335%0.345CS..Hα-helixtrans-62.9-47.1170.3173.90000111Q171 R172 Y173 R177 N179 P180 Y181 L188 R191 V192Q171-V175 WeakPolarHBondContact O-CG2 3.38Å; Q171-V175 PolarHBondContact O-N 2.86Å; R172-V175 WeakPolarHBondContact O-CB 3.42Å; R172-V175 PolarHBondContact O-N 3.13Å; Y173-V175 VanDerWaalsContact C-N 3.3Å; Y173-V175 PolarHBondContact O-N 3.31Å; V175-R177 PolarHBondContact O-N 3.45Å; V175-N179 WeakPolarHBondContact O-CA 3.48Å; V175-N179 PolarHBondContact O-N 3.06Å; V175-P180 HydrophobicContact CG1-CG 4.42Å; V175-P180 WeakPolarHBondContact O-CD 3.24Å; V175-Y181 HydrophobicContact CG1-CE2 4.43Å; V175-L188 HydrophobicContact CG1-CD1 4.14Å; V175-R191 HydrophobicContact CG1-CG 4.32Å; V175-V192 HydrophobicContact CB-CG1 4.06Å; V175-V192 HydrophobicContact CG1-CG1 3.83Å
176W98.9Very high98.7Very high67 Ų6772.1 Ų72.125%0.25436%0.359SS..Hα-helixtrans-56.8-50.7177170.9-101.6000111.8R172 Y173 V185 L188 R189 V192 S196R172-W176 PolarHBondContact O-N 3.3Å; Y173-W176 WeakPolarHBondContact O-CB 3.46Å; Y173-W176 PolarHBondContact O-N 2.99Å; W176-V185 HydrophobicContact CH2-CG2 3.85Å; W176-V185 HydrophobicContact CZ3-CG2 4.36Å; W176-L188 HydrophobicContact CD2-CD2 4.38Å; W176-L188 HydrophobicContact CE3-CD2 3.82Å; W176-L188 HydrophobicContact CE3-CG 3.8Å; W176-L188 HydrophobicContact CZ3-CD2 4.2Å; W176-L188 HydrophobicContact CZ3-CG 4.21Å; W176-L188 WeakPolarHBondContact O-CD2 3.32Å; W176-R189 HydrophobicContact CZ3-CB 4.12Å; W176-V192 HydrophobicContact CB-CG1 4.14Å; W176-V192 HydrophobicContact CB-CG2 4.41Å; W176-V192 HydrophobicContact CE3-CG2 3.92Å; W176-S196 PolarHBondContact NE1-O 2.67Å; W176-S196 VanDerWaalsContact NE1-O 3.17Å
177R98.7Very high98.7Very high150 Ų15076 Ų7657%0.56638%0.377SS*.Hα-helixtrans-69.8-37.1-176.1-172.6-173.266.678.71.7112.9Y173 E174 V175Y173-R177 HydrophobicContact CE1-CB 4.43Å; Y173-R177 WeakPolarHBondContact O-CB 3.3Å; Y173-R177 PolarHBondContact O-N 2.79Å; E174-R177 IonicContact OE2-CZ 2.76Å; E174-R177 IonicContact OE2-NE 3.79Å; E174-R177 PolarHBondContact OE2-NE 3.3Å; E174-R177 IonicContact OE2-NH2 3.52Å; E174-R177 PolarHBondContact OE2-NH2 3Å; V175-R177 PolarHBondContact O-N 3.45Å
178S98.7Very high98.7Very high66 Ų6673.6 Ų73.646%0.46236%0.357SS..Hα-helixtrans-88.9-20.8-176.762.90000114E174 P180E174-S178 VanDerWaalsContact O-CB 3.27Å; E174-S178 WeakPolarHBondContact O-CB 3.27Å; E174-S178 PolarHBondContact O-N 3.39Å; E174-S178 PolarHBondContact O-OG 3.14Å; S178-P180 WeakPolarHBondContact OG-CD 3.49Å
179N98.6Very high98.7Very high41 Ų4175.1 Ų75.122%0.21936%0.36CS..  trans37.262.8-173.2-169.61.7000112.6V175 Y181 H182 E183 L188V175-N179 WeakPolarHBondContact O-CA 3.48Å; V175-N179 PolarHBondContact O-N 3.06Å; N179-Y181 PolarHBondContact O-N 3.08Å; N179-Y181 VanDerWaalsContact O-N 3.11Å; N179-H182 PolarHBondContact O-N 2.92Å; N179-H182 VanDerWaalsContact O-N 3.14Å; N179-H182 WeakPolarHBondContact OD1-CA 3.28Å; N179-H182 PolarHBondContact OD1-N 3.43Å; N179-H182 VanDerWaalsContact OD1-N 3.11Å; N179-E183 PolarHBondContact ND2-N 3.45Å; N179-E183 PolarHBondContact ND2-O 3.34Å; N179-E183 PolarHBondContact OD1-N 2.82Å; N179-L188 HydrophobicContact CB-CD2 3.88Å
180P98.5Very high98.7Very high67 Ų6778.4 Ų78.444%0.43538%0.378SS..THydrogen-bonded Turntrans-69.5-13.1-171.429.7-33.9000112.9V175 S178V175-P180 HydrophobicContact CG1-CG 4.42Å; V175-P180 WeakPolarHBondContact O-CD 3.24Å; S178-P180 WeakPolarHBondContact OG-CD 3.49Å
181Y98.4Very high98.7Very high137 Ų13781 Ų8154%0.53738%0.383SS..THydrogen-bonded Turntrans-101-0.5-179.9-56.6-70.5000113.1V175 N179 E183 R191V175-Y181 HydrophobicContact CG1-CE2 4.43Å; N179-Y181 PolarHBondContact O-N 3.08Å; N179-Y181 VanDerWaalsContact O-N 3.11Å; Y181-E183 PolarHBondContact O-N 2.96Å; Y181-R191 VanDerWaalsContact CD2-CD 3.49Å; Y181-R191 VanDerWaalsContact CD2-NE 3.33Å
182H98.3Very high98.7Very high171 Ų17174.8 Ų74.879%0.79236%0.355SS*.  trans52.238.9-177.2-56.5-69000113.4N179N179-H182 PolarHBondContact O-N 2.92Å; N179-H182 VanDerWaalsContact O-N 3.14Å; N179-H182 WeakPolarHBondContact OD1-CA 3.28Å; N179-H182 PolarHBondContact OD1-N 3.43Å; N179-H182 VanDerWaalsContact OD1-N 3.11Å
183E98.7Very high98.7Very high37 Ų3776 Ų7617%0.17336%0.361CS..  trans-76.5155.9-179.8-74.7171.7153.400111.4N179 Y181 E187 L188 R191N179-E183 PolarHBondContact ND2-N 3.45Å; N179-E183 PolarHBondContact ND2-O 3.34Å; N179-E183 PolarHBondContact OD1-N 2.82Å; Y181-E183 PolarHBondContact O-N 2.96Å; E183-E187 HydrophobicContact CB-CB 3.9Å; E183-E187 HydrophobicContact CG-CB 4.22Å; E183-L188 HydrophobicContact CB-CB 4.07Å; E183-R191 IonicContact OE1-CZ 3.16Å; E183-R191 IonicContact OE1-NE 2.77Å; E183-R191 PolarHBondContact OE1-NE 3.11Å; E183-R191 IonicContact OE1-NH2 3.1Å; E183-R191 PolarHBondContact OE1-NH2 3.33Å; E183-R191 VanDerWaalsContact OE2-CD 3.27Å; E183-R191 WeakPolarHBondContact OE2-CD 3.42Å; E183-R191 IonicContact OE2-CZ 3.81Å; E183-R191 IonicContact OE2-NE 3.26Å; E183-R191 PolarHBondContact OE2-NE 2.87Å
184S98.6Very high98.6Very high50 Ų5073.9 Ų73.935%0.3535%0.353SS..  trans-62.1165.4164.963.20000110.9E186 E187 L188S184-E186 VanDerWaalsContact C-N 3.28Å; S184-E186 PolarHBondContact O-N 2.92Å; S184-E187 WeakPolarHBondContact CB-OE2 3.19Å; S184-E187 PolarHBondContact N-OE2 3.39Å; S184-E187 PolarHBondContact O-N 3.48Å; S184-E187 WeakPolarHBondContact OG-CB 3.47Å; S184-E187 VanDerWaalsContact OG-CG 3.25Å; S184-E187 WeakPolarHBondContact OG-CG 3.49Å; S184-E187 PolarHBondContact OG-N 2.76Å; S184-E187 PolarHBondContact OG-OE2 2.7Å; S184-L188 VanDerWaalsContact O-CB 3.24Å; S184-L188 WeakPolarHBondContact O-CB 3.45Å; S184-L188 PolarHBondContact O-N 3.12Å
185V98.6Very high98.6Very high83 Ų8370.6 Ų70.650%0.50334%0.337SS..Hα-helixtrans-63.7-36-178.165.10000111.9W176 R189W176-V185 HydrophobicContact CH2-CG2 3.85Å; W176-V185 HydrophobicContact CZ3-CG2 4.36Å; V185-R189 WeakPolarHBondContact O-CB 3.39Å; V185-R189 PolarHBondContact O-N 3.45Å
186E98.4Very high98.6Very high132 Ų13270.8 Ų70.862%0.61734%0.34SS*.Hα-helixtrans-69-44.3177.8-65.474.6-162.500112.2S184 D190S184-E186 VanDerWaalsContact C-N 3.28Å; S184-E186 PolarHBondContact O-N 2.92Å; E186-D190 PolarHBondContact O-N 2.76Å
187E98.7Very high98.6Very high115 Ų11569.4 Ų69.454%0.53734%0.343SS..Hα-helixtrans-65.6-44.4177-71.4165.514800111.2E183 S184 D190 R191E183-E187 HydrophobicContact CB-CB 3.9Å; E183-E187 HydrophobicContact CG-CB 4.22Å; S184-E187 WeakPolarHBondContact CB-OE2 3.19Å; S184-E187 PolarHBondContact N-OE2 3.39Å; S184-E187 PolarHBondContact O-N 3.48Å; S184-E187 WeakPolarHBondContact OG-CB 3.47Å; S184-E187 VanDerWaalsContact OG-CG 3.25Å; S184-E187 WeakPolarHBondContact OG-CG 3.49Å; S184-E187 PolarHBondContact OG-N 2.76Å; S184-E187 PolarHBondContact OG-OE2 2.7Å; E187-D190 PolarHBondContact O-N 2.84Å; E187-R191 PolarHBondContact O-N 3.25Å
188L98.8Very high98.6Very high9 Ų967.5 Ų67.55%0.04734%0.339CS..Hα-helixtrans-64.2-43.2178.1-17662.4000111.2V175 W176 N179 E183 S184 D190 R191 V192V175-L188 HydrophobicContact CG1-CD1 4.14Å; W176-L188 HydrophobicContact CD2-CD2 4.38Å; W176-L188 HydrophobicContact CE3-CD2 3.82Å; W176-L188 HydrophobicContact CE3-CG 3.8Å; W176-L188 HydrophobicContact CZ3-CD2 4.2Å; W176-L188 HydrophobicContact CZ3-CG 4.21Å; W176-L188 WeakPolarHBondContact O-CD2 3.32Å; N179-L188 HydrophobicContact CB-CD2 3.88Å; E183-L188 HydrophobicContact CB-CB 4.07Å; S184-L188 VanDerWaalsContact O-CB 3.24Å; S184-L188 WeakPolarHBondContact O-CB 3.45Å; S184-L188 PolarHBondContact O-N 3.12Å; L188-D190 VanDerWaalsContact C-N 3.28Å; L188-D190 PolarHBondContact O-N 3.42Å; L188-R191 WeakPolarHBondContact O-CB 3.17Å; L188-R191 PolarHBondContact O-N 3.27Å; L188-R191 VanDerWaalsContact O-N 3.17Å; L188-V192 HydrophobicContact CD1-CG1 4.43Å; L188-V192 WeakPolarHBondContact O-CG2 3.45Å; L188-V192 PolarHBondContact O-N 2.98Å
189R98.7Very high98.6Very high83 Ų8364.6 Ų64.631%0.31332%0.318SS..Hα-helixtrans-57.9-41.6174.7179.6-172.5177.8-133.13.2111.4E135 S139 Y141 W176 V185 K193 G194E135-R189 WeakPolarHBondContact OE1-CD 3.32Å; E135-R189 WeakPolarHBondContact OE1-CG 3.26Å; E135-R189 IonicContact OE1-CZ 3.34Å; E135-R189 IonicContact OE1-NE 2.64Å; E135-R189 PolarHBondContact OE1-NE 2.87Å; E135-R189 IonicContact OE1-NH2 3.74Å; E135-R189 IonicContact OE2-CZ 3.74Å; E135-R189 IonicContact OE2-NE 2.87Å; E135-R189 PolarHBondContact OE2-NE 3.38Å; E135-R189 IonicContact OE2-NH2 2.96Å; E135-R189 PolarHBondContact OE2-NH2 2.71Å; S139-R189 PolarHBondContact OG-NH2 3.17Å; Y141-R189 HydrophobicContact CE2-CG 4.39Å; W176-R189 HydrophobicContact CZ3-CB 4.12Å; V185-R189 WeakPolarHBondContact O-CB 3.39Å; V185-R189 PolarHBondContact O-N 3.45Å; R189-K193 WeakPolarHBondContact O-CA 3.46Å; R189-K193 PolarHBondContact O-N 2.82Å; R189-G194 PolarHBondContact O-N 3.27Å; R189-G194 VanDerWaalsContact O-N 3.07Å
190D98.7Very high98.5Very high73 Ų7364.3 Ų64.339%0.3932%0.315SS..Hα-helixtrans-69.8-38.4175.3-175.464000112.8Y141 E186 E187 L188 V192 K193Y141-D190 WeakPolarHBondContact OH-CA 3.25Å; Y141-D190 WeakPolarHBondContact OH-CB 3.46Å; Y141-D190 PolarHBondContact OH-OD1 3.11Å; E186-D190 PolarHBondContact O-N 2.76Å; E187-D190 PolarHBondContact O-N 2.84Å; L188-D190 VanDerWaalsContact C-N 3.28Å; L188-D190 PolarHBondContact O-N 3.42Å; D190-V192 VanDerWaalsContact C-N 3.31Å; D190-V192 PolarHBondContact O-N 3.04Å; D190-K193 WeakPolarHBondContact O-CD 3.42Å; D190-K193 WeakPolarHBondContact O-CE 3.48Å; D190-K193 PolarHBondContact O-N 2.82Å; D190-K193 PolarHBondContact O-NZ 3.37Å; D190-K193 IonicContact OD1-NZ 3.48Å; D190-K193 PolarHBondContact OD1-NZ 3.2Å; D190-K193 IonicContact OD2-NZ 2.71Å; D190-K193 PolarHBondContact OD2-NZ 2.93Å
191R98.6Very high98.5Very high111 Ų11161.1 Ų61.142%0.41930%0.295SS..Hα-helixtrans-57.5-44.7173.6175174.9-63.6-75.7-3.2112.2V175 Y181 E183 E187 L188 K193V175-R191 HydrophobicContact CG1-CG 4.32Å; Y181-R191 VanDerWaalsContact CD2-CD 3.49Å; Y181-R191 VanDerWaalsContact CD2-NE 3.33Å; E183-R191 IonicContact OE1-CZ 3.16Å; E183-R191 IonicContact OE1-NE 2.77Å; E183-R191 PolarHBondContact OE1-NE 3.11Å; E183-R191 IonicContact OE1-NH2 3.1Å; E183-R191 PolarHBondContact OE1-NH2 3.33Å; E183-R191 VanDerWaalsContact OE2-CD 3.27Å; E183-R191 WeakPolarHBondContact OE2-CD 3.42Å; E183-R191 IonicContact OE2-CZ 3.81Å; E183-R191 IonicContact OE2-NE 3.26Å; E183-R191 PolarHBondContact OE2-NE 2.87Å; E187-R191 PolarHBondContact O-N 3.25Å; L188-R191 WeakPolarHBondContact O-CB 3.17Å; L188-R191 PolarHBondContact O-N 3.27Å; L188-R191 VanDerWaalsContact O-N 3.17Å; R191-K193 VanDerWaalsContact C-N 3.32Å
192V98.8Very high98.5Very high1 Ų157.4 Ų57.41%0.00628%0.282CS..THydrogen-bonded Turntrans-89.2-0.1-178.1-54.20000113.3R172 V175 W176 L188 D190 G194 V195R172-V192 HydrophobicContact CB-CB 4.17Å; R172-V192 WeakPolarHBondContact O-CG1 3.2Å; V175-V192 HydrophobicContact CB-CG1 4.06Å; V175-V192 HydrophobicContact CG1-CG1 3.83Å; W176-V192 HydrophobicContact CB-CG1 4.14Å; W176-V192 HydrophobicContact CB-CG2 4.41Å; W176-V192 HydrophobicContact CE3-CG2 3.92Å; L188-V192 HydrophobicContact CD1-CG1 4.43Å; L188-V192 WeakPolarHBondContact O-CG2 3.45Å; L188-V192 PolarHBondContact O-N 2.98Å; D190-V192 VanDerWaalsContact C-N 3.31Å; D190-V192 PolarHBondContact O-N 3.04Å; V192-G194 VanDerWaalsContact C-N 3.27Å; V192-G194 PolarHBondContact O-N 3.48Å; V192-V195 HydrophobicContact CB-CB 4.49Å; V192-V195 WeakPolarHBondContact CG2-O 3.3Å; V192-V195 WeakPolarHBondContact O-CG2 3.39Å; V192-V195 PolarHBondContact O-N 2.77Å
193K98.7Very high98.5Very high51 Ų5149.8 Ų49.822%0.22225%0.247CC..THydrogen-bonded Turntrans50.746.2179.4-49.8-69.5168.5-151.60112.2Y141 D147 R164 R189 D190 R191 V195Y141-K193 HydrophobicContact CD1-CB 4.09Å; Y141-K193 HydrophobicContact CD1-CD 4.41Å; Y141-K193 HydrophobicContact CE1-CB 4.03Å; Y141-K193 HydrophobicContact CE1-CD 3.7Å; D147-K193 HydrophobicContact CB-CB 4.24Å; D147-K193 HydrophobicContact CB-CD 4.11Å; D147-K193 HydrophobicContact CB-CG 3.88Å; R164-K193 PolarHBondContact NH2-O 3.04Å; R189-K193 WeakPolarHBondContact O-CA 3.46Å; R189-K193 PolarHBondContact O-N 2.82Å; D190-K193 WeakPolarHBondContact O-CD 3.42Å; D190-K193 WeakPolarHBondContact O-CE 3.48Å; D190-K193 PolarHBondContact O-N 2.82Å; D190-K193 PolarHBondContact O-NZ 3.37Å; D190-K193 IonicContact OD1-NZ 3.48Å; D190-K193 PolarHBondContact OD1-NZ 3.2Å; D190-K193 IonicContact OD2-NZ 2.71Å; D190-K193 PolarHBondContact OD2-NZ 2.93Å; R191-K193 VanDerWaalsContact C-N 3.32Å; K193-V195 PolarHBondContact O-N 3.1Å
194G98.2Very high98.5Very high1 Ų149.4 Ų49.41%0.0125%0.248CC..THydrogen-bonded Turntrans74.220.2176.800000115.8E135 R189 V192E135-G194 WeakPolarHBondContact CG-O 3.37Å; E135-G194 PolarHBondContact N-O 3.43Å; R189-G194 PolarHBondContact O-N 3.27Å; R189-G194 VanDerWaalsContact O-N 3.07Å; V192-G194 VanDerWaalsContact C-N 3.27Å; V192-G194 PolarHBondContact O-N 3.48Å
195V98.8Very high98.4Very high0 Ų049.1 Ų49.10%025%0.245CC..BIsolated β-bridgetrans-86.2102.5165.1-176.60000109G133 L134 N169 R172 V192 K193G133-V195 WeakPolarHBondContact O-CA 3.3Å; L134-V195 HydrophobicContact CD2-CG2 3.71Å; N169-V195 HydrophobicContact CB-CG1 4.45Å; N169-V195 WeakPolarHBondContact O-CG1 3.39Å; R172-V195 HydrophobicContact CB-CB 3.85Å; R172-V195 HydrophobicContact CB-CG1 4.09Å; R172-V195 HydrophobicContact CB-CG2 4Å; V192-V195 HydrophobicContact CB-CB 4.49Å; V192-V195 WeakPolarHBondContact CG2-O 3.3Å; V192-V195 WeakPolarHBondContact O-CG2 3.39Å; V192-V195 PolarHBondContact O-N 2.77Å; K193-V195 PolarHBondContact O-N 3.1Å
196S98.3Very high98.4Very high42 Ų4247.8 Ų47.829%0.29424%0.239SC..  trans-123.5-3.7-174.660.40000114.1G133 W176G133-S196 PolarHBondContact O-N 3.32Å; G133-S196 VanDerWaalsContact O-N 3.12Å; W176-S196 PolarHBondContact NE1-O 2.67Å; W176-S196 VanDerWaalsContact NE1-O 3.17Å
197A98.6Very high98.4Very high38 Ų3846.8 Ų46.831%0.31424%0.237SC..SBendtrans-124.8161.3174.100000110G133 Y173 P199G133-A197 WeakPolarHBondContact CA-O 3.5Å; G133-A197 PolarHBondContact O-N 2.92Å; Y173-A197 VanDerWaalsContact CD2-O 3.25Å; Y173-A197 WeakPolarHBondContact CD2-O 3.36Å; A197-P199 WeakPolarHBondContact O-CD 3.34Å
198K98.7Very high98.4Very high109 Ų10943.3 Ų43.347%0.47422%0.222SC..  trans-79.9121.5-177.3-168.2172.3-178.11730109.7L170 Y173L170-K198 HydrophobicContact CD2-CG 4.43Å; Y173-K198 HydrophobicContact CD1-CB 3.76Å; Y173-K198 HydrophobicContact CD1-CD 4.14Å; Y173-K198 HydrophobicContact CD1-CG 3.64Å; Y173-K198 HydrophobicContact CD2-CB 4.14Å; Y173-K198 HydrophobicContact CE1-CB 3.55Å; Y173-K198 HydrophobicContact CE1-CD 3.75Å; Y173-K198 HydrophobicContact CE1-CG 3.65Å; Y173-K198 HydrophobicContact CE2-CB 3.95Å; Y173-K198 HydrophobicContact CG-CB 4.03Å; Y173-K198 HydrophobicContact CG-CG 4.26Å
199P98.6Very high98.3Very high5 Ų545.8 Ų45.83%0.03224%0.244CC..  trans-58.8140170.2-20.530.8000110.8V131 E132 N169 L170 A197V131-P199 CarbonylContact O-C 3.22Å; V131-P199 WeakPolarHBondContact O-CA 3.41Å; E132-P199 WeakPolarHBondContact O-CG 3.44Å; N169-P199 HydrophobicContact CB-CB 4.41Å; N169-P199 HydrophobicContact CB-CG 3.47Å; N169-P199 VanDerWaalsContact CB-CG 3.47Å; L170-P199 HydrophobicContact CD2-CB 4.24Å; L170-P199 HydrophobicContact CD2-CG 4.28Å; L170-P199 HydrophobicContact CG-CB 4.31Å; L170-P199 HydrophobicContact CG-CG 4.25Å; A197-P199 WeakPolarHBondContact O-CD 3.34Å
200F97.4Very high98.3Very high36 Ų3647 Ų4716%0.15826%0.256CS..  trans-132.3-16.6177.884.5-85.3000114.8H81 L84 T85 L88 I92 V131H81-F200 AromaticContact CE1-CE1 3.96Å; L84-F200 HydrophobicContact CD2-CZ 4.12Å; L84-F200 HydrophobicContact CG-CZ 4.25Å; T85-F200 HydrophobicContact CG2-CD1 3.73Å; T85-F200 HydrophobicContact CG2-CD2 3.93Å; T85-F200 HydrophobicContact CG2-CE1 3.63Å; T85-F200 HydrophobicContact CG2-CE2 3.83Å; T85-F200 HydrophobicContact CG2-CG 3.87Å; T85-F200 HydrophobicContact CG2-CZ 3.68Å; L88-F200 HydrophobicContact CB-CE2 4.27Å; I92-F200 WeakPolarHBondContact CG2-O 3.42Å; V131-F200 HydrophobicContact CB-CD1 4.19Å; V131-F200 HydrophobicContact CB-CE1 3.74Å; V131-F200 HydrophobicContact CB-CZ 4.27Å; V131-F200 HydrophobicContact CG1-CE1 3.62Å; V131-F200 HydrophobicContact CG1-CZ 3.84Å; V131-F200 PolarHBondContact O-N 3.21Å
201I98.3Very high98.3Very high0 Ų047.7 Ų47.70%026%0.257CS..SBendtrans-118126.9170.3-51.5-171000108.3L88 I92 V131 H166 T203L88-I201 HydrophobicContact CD1-CD1 4.04Å; I92-I201 HydrophobicContact CD1-CB 4.25Å; I92-I201 HydrophobicContact CD1-CD1 4.06Å; I92-I201 HydrophobicContact CD1-CG1 3.8Å; I92-I201 HydrophobicContact CD1-CG2 3.87Å; I92-I201 HydrophobicContact CG1-CG1 4.04Å; V131-I201 HydrophobicContact CB-CB 3.95Å; V131-I201 HydrophobicContact CB-CD1 4.19Å; V131-I201 HydrophobicContact CB-CG1 3.99Å; V131-I201 HydrophobicContact CG1-CD1 3.91Å; V131-I201 HydrophobicContact CG1-CG1 4.25Å; V131-I201 HydrophobicContact CG2-CB 3.99Å; V131-I201 PolarHBondContact O-N 3.44Å; H166-I201 PolarHBondContact CE1-O 3.13Å; H166-I201 PolarHBondContact ND1-O 2.68Å; I201-T203 PolarHBondContact O-N 3.32Å
202E98.6Very high98.2Very high59 Ų5944.5 Ų44.528%0.27625%0.251SS..  trans-74.4106.2170-180-165.1-169.600110.2R95 K99 H166R95-E202 IonicContact CZ-OE2 3.84Å; R95-E202 IonicContact NH1-OE2 3.13Å; R95-E202 PolarHBondContact NH1-OE2 3Å; R95-E202 PolarHBondContact NH2-O 3.4Å; R95-E202 VanDerWaalsContact NH2-O 3.13Å; R95-E202 IonicContact NH2-OE2 2.68Å; R95-E202 PolarHBondContact NH2-OE2 3.49Å; K99-E202 IonicContact NZ-OE1 3.76Å; K99-E202 IonicContact NZ-OE2 3.63Å; K99-E202 PolarHBondContact NZ-OE2 3.06Å; H166-E202 HydrophobicContact CB-CB 4.05Å; H166-E202 HydrophobicContact CB-CG 3.67Å; H166-E202 WeakPolarHBondContact ND1-CA 3.39Å
203T98.4Very high98.2Very high10 Ų1049.8 Ų49.86%0.06128%0.279CS..  trans-94.1157.517071.30000110.6V131 E132 I201V131-T203 HydrophobicContact CG2-CG2 3.66Å; E132-T203 HydrophobicContact CG-CG2 4.04Å; E132-T203 WeakPolarHBondContact CG-OG1 3.25Å; E132-T203 WeakPolarHBondContact OE1-CA 3.39Å; E132-T203 WeakPolarHBondContact OE1-CB 3.35Å; E132-T203 PolarHBondContact OE1-N 3.22Å; E132-T203 PolarHBondContact OE1-OG1 3.18Å; I201-T203 PolarHBondContact O-N 3.32Å
204V98.3Very high98.2Very high29 Ų2951.8 Ų51.818%0.17629%0.291CS..  trans-90.8126.7172.1172.50000107.9R119 G120 T121 S206R119-V204 HydrophobicContact CB-CG2 4Å; R119-V204 HydrophobicContact CG-CG2 4.33Å; G120-V204 PolarHBondContact O-N 2.86Å; T121-V204 HydrophobicContact CG2-CB 3.74Å; T121-V204 HydrophobicContact CG2-CG1 4.07Å; T121-V204 HydrophobicContact CG2-CG2 4.35Å; V204-S206 WeakPolarHBondContact O-CB 3.46Å; V204-S206 PolarHBondContact O-N 3.4Å
205P97.5Very high98.2Very high44 Ų4453.6 Ų53.629%0.28631%0.31SS..SBendtrans-56.8100.4172.3-2433.2000110.8L145 I162 R164L145-P205 HydrophobicContact CD2-CB 4.38Å; L145-P205 HydrophobicContact CG-CB 4.2Å; I162-P205 HydrophobicContact CG2-CB 3.74Å; I162-P205 HydrophobicContact CG2-CG 4.32Å; R164-P205 VanDerWaalsContact O-CG 3.26Å; R164-P205 WeakPolarHBondContact O-CG 3.48Å
206S98.1Very high98.2Very high55 Ų5557.7 Ų57.739%0.38533%0.332SS..  trans-153.3172.8-171.2-171.90000109V204V204-S206 WeakPolarHBondContact O-CB 3.46Å; V204-S206 PolarHBondContact O-N 3.4Å
207I98.3Very high98.2Very high111 Ų11158.5 Ų58.557%0.56934%0.341SS*.  trans-111.4131.9174-60.5172.5000107.6L145 A209 C212L145-I207 HydrophobicContact CD1-CG1 4.5Å; I207-A209 PolarHBondContact O-N 3.03Å; I207-C212 HydrophobicContact CG2-CB 3.67Å
208D98.1Very high98.2Very high42 Ų4259.3 Ų59.323%0.22535%0.348CS..  trans-75.7114.2163.9172.735.5000109.4L210 H211 C212D208-L210 VanDerWaalsContact C-N 3.29Å; D208-L210 PolarHBondContact O-N 2.97Å; D208-L210 PolarHBondContact OD1-N 3.46Å; D208-H211 WeakPolarHBondContact OD2-CB 3.47Å; D208-H211 IonicContact OD2-CE1 2.67Å; D208-H211 IonicContact OD2-CG 2.62Å; D208-H211 VanDerWaalsContact OD2-CG 3.32Å; D208-H211 PolarHBondContact OD2-N 2.93Å; D208-H211 IonicContact OD2-ND1 3.08Å; D208-H211 PolarHBondContact OD2-ND1 3.3Å; D208-C212 WeakPolarHBondContact O-CB 3.46Å; D208-C212 PolarHBondContact O-N 3.26Å
209A97.8Very high98.1Very high62 Ų6258.8 Ų58.851%0.51235%0.347SS..Hα-helixtrans-61.7-37.4-176.700000112.2I207 C212 D213I207-A209 PolarHBondContact O-N 3.03Å; A209-C212 PolarHBondContact O-N 2.76Å; A209-D213 PolarHBondContact O-N 2.75Å
210L97.8Very high98.1Very high107 Ų10764.2 Ų64.256%0.5637%0.37SS*.Hα-helixtrans-65.3-54.6-177.4175.961.9000111D208 C212 D213 I214D208-L210 VanDerWaalsContact C-N 3.29Å; D208-L210 PolarHBondContact O-N 2.97Å; D208-L210 PolarHBondContact OD1-N 3.46Å; L210-C212 VanDerWaalsContact C-N 3.27Å; L210-C212 PolarHBondContact O-N 2.84Å; L210-D213 PolarHBondContact O-N 3.11Å; L210-I214 HydrophobicContact CD1-CD1 4.03Å; L210-I214 HydrophobicContact CG-CD1 4.01Å; L210-I214 WeakPolarHBondContact O-CG1 3.28Å; L210-I214 PolarHBondContact O-N 3.45Å
211H98.1Very high98.2Very high89 Ų8965.7 Ų65.741%0.41238%0.375SS..Hα-helixtrans-69.7-26.3179.2-70.495.6000112.6D208 G215D208-H211 WeakPolarHBondContact OD2-CB 3.47Å; D208-H211 IonicContact OD2-CE1 2.67Å; D208-H211 IonicContact OD2-CG 2.62Å; D208-H211 VanDerWaalsContact OD2-CG 3.32Å; D208-H211 PolarHBondContact OD2-N 2.93Å; D208-H211 IonicContact OD2-ND1 3.08Å; D208-H211 PolarHBondContact OD2-ND1 3.3Å; H211-G215 PolarHBondContact O-N 2.85Å
212C98.2Very high98.2Very high44 Ų4470.6 Ų70.630%0.29740%0.397SS..Hα-helixtrans-63.5-47170.5-171.50000111.7I207 D208 A209 L210 G215 N216I207-C212 HydrophobicContact CG2-CB 3.67Å; D208-C212 WeakPolarHBondContact O-CB 3.46Å; D208-C212 PolarHBondContact O-N 3.26Å; A209-C212 PolarHBondContact O-N 2.76Å; L210-C212 VanDerWaalsContact C-N 3.27Å; L210-C212 PolarHBondContact O-N 2.84Å; C212-G215 PolarHBondContact O-N 3.38Å; C212-N216 VanDerWaalsContact O-CB 3.3Å; C212-N216 WeakPolarHBondContact O-CB 3.47Å; C212-N216 PolarHBondContact O-N 3.49Å; C212-N216 PolarHBondContact O-ND2 3.27Å; C212-N216 PolarHBondContact SG-ND2 3.06Å; C212-N216 VanDerWaalsContact SG-ND2 3.42Å
213D98.4Very high98.2Very high111 Ų11170.9 Ų70.959%0.59440%0.399SS*.Hα-helixtrans-62.6-44.2177-77.7-17.1000111.5A209 L210 A217A209-D213 PolarHBondContact O-N 2.75Å; L210-D213 PolarHBondContact O-N 3.11Å; D213-A217 WeakPolarHBondContact O-CB 3.38Å; D213-A217 PolarHBondContact O-N 3.24Å
214I98Very high98.2Very high94 Ų9475.2 Ų75.248%0.48242%0.417SS..Hα-helixtrans-60.4-48.9176.5-66.7166.2000110.7L210 A217 A218L210-I214 HydrophobicContact CD1-CD1 4.03Å; L210-I214 HydrophobicContact CG-CD1 4.01Å; L210-I214 WeakPolarHBondContact O-CG1 3.28Å; L210-I214 PolarHBondContact O-N 3.45Å; I214-A217 PolarHBondContact O-N 3.42Å; I214-A218 WeakPolarHBondContact O-CB 3.43Å; I214-A218 PolarHBondContact O-N 2.86Å
215G97.6Very high98.2Very high39 Ų3975.1 Ų75.140%0.40242%0.415SS..Hα-helixtrans-62.7-46.5-179.600000112.4H211 C212 A218 E219H211-G215 PolarHBondContact O-N 2.85Å; C212-G215 PolarHBondContact O-N 3.38Å; G215-A218 PolarHBondContact O-N 3.27Å; G215-E219 PolarHBondContact O-N 3.07Å
216N98.4Very high98.2Very high85 Ų8575 Ų7546%0.45541%0.412SS..Hα-helixtrans-62-48.7176.4-71.6-21.9000110.8C212 A218 E219 F220C212-N216 VanDerWaalsContact O-CB 3.3Å; C212-N216 WeakPolarHBondContact O-CB 3.47Å; C212-N216 PolarHBondContact O-N 3.49Å; C212-N216 PolarHBondContact O-ND2 3.27Å; C212-N216 PolarHBondContact SG-ND2 3.06Å; C212-N216 VanDerWaalsContact SG-ND2 3.42Å; N216-A218 VanDerWaalsContact C-N 3.28Å; N216-A218 PolarHBondContact O-N 2.96Å; N216-E219 PolarHBondContact O-N 3.12Å; N216-E219 VanDerWaalsContact O-N 3.1Å; N216-F220 VanDerWaalsContact O-CD2 3.31Å; N216-F220 WeakPolarHBondContact O-CD2 3.17Å; N216-F220 PolarHBondContact O-N 3.2Å
217A98.6Very high98.2Very high59 Ų5977.4 Ų77.449%0.48842%0.417SS..Hα-helixtrans-59.3-38.717800000112.2D213 I214 F220 Y221D213-A217 WeakPolarHBondContact O-CB 3.38Å; D213-A217 PolarHBondContact O-N 3.24Å; I214-A217 PolarHBondContact O-N 3.42Å; A217-F220 PolarHBondContact O-N 3.35Å; A217-Y221 VanDerWaalsContact O-CB 3.3Å; A217-Y221 WeakPolarHBondContact O-CB 3.39Å; A217-Y221 PolarHBondContact O-N 2.67Å
218A98.4Very high98.2Very high56 Ų5675.6 Ų75.646%0.46341%0.408SS..Hα-helixtrans-65-39.6174.800000112.5I214 G215 N216 Y221 K222I214-A218 WeakPolarHBondContact O-CB 3.43Å; I214-A218 PolarHBondContact O-N 2.86Å; G215-A218 PolarHBondContact O-N 3.27Å; N216-A218 VanDerWaalsContact C-N 3.28Å; N216-A218 PolarHBondContact O-N 2.96Å; A218-Y221 WeakPolarHBondContact O-CB 3.26Å; A218-Y221 PolarHBondContact O-N 3.14Å; A218-K222 PolarHBondContact O-N 2.81Å
219E98.3Very high98.2Very high97 Ų9773.9 Ų73.945%0.45340%0.4SS..Hα-helixtrans-68.7-40.5175.8-166.758.7-152.200111.4G215 N216 Y221 K222 I223G215-E219 PolarHBondContact O-N 3.07Å; N216-E219 PolarHBondContact O-N 3.12Å; N216-E219 VanDerWaalsContact O-N 3.1Å; E219-Y221 PolarHBondContact O-N 2.87Å; E219-K222 WeakPolarHBondContact O-CB 3.49Å; E219-K222 PolarHBondContact O-N 3.1Å; E219-I223 HydrophobicContact CG-CD1 4.38Å; E219-I223 WeakPolarHBondContact O-CG1 3.46Å; E219-I223 PolarHBondContact O-N 3.42Å
220F98.6Very high98.2Very high119 Ų11974.6 Ų74.652%0.52239%0.393SS..Hα-helixtrans-62.1-42.3171.5-88.4-89.2000112.2N216 A217 K222 I223 F224N216-F220 VanDerWaalsContact O-CD2 3.31Å; N216-F220 WeakPolarHBondContact O-CD2 3.17Å; N216-F220 PolarHBondContact O-N 3.2Å; A217-F220 PolarHBondContact O-N 3.35Å; F220-K222 VanDerWaalsContact C-N 3.26Å; F220-K222 PolarHBondContact O-N 3.25Å; F220-I223 PolarHBondContact O-N 3.02Å; F220-F224 HydrophobicContact CB-CE2 4.42Å; F220-F224 HydrophobicContact CD1-CZ 4.25Å; F220-F224 VanDerWaalsContact O-CD2 3.3Å; F220-F224 WeakPolarHBondContact O-CD2 3.22Å; F220-F224 VanDerWaalsContact O-CG 3.28Å; F220-F224 WeakPolarHBondContact O-CG 3.36Å; F220-F224 PolarHBondContact O-N 3.23Å
221Y98.6Very high98.2Very high67 Ų6770.9 Ų70.926%0.26338%0.375SS..Hα-helixtrans-58.7-40.3174.5174.1-110.1000111.2A217 A218 E219 Q225 Q246 L249 D250 L253A217-Y221 VanDerWaalsContact O-CB 3.3Å; A217-Y221 WeakPolarHBondContact O-CB 3.39Å; A217-Y221 PolarHBondContact O-N 2.67Å; A218-Y221 WeakPolarHBondContact O-CB 3.26Å; A218-Y221 PolarHBondContact O-N 3.14Å; E219-Y221 PolarHBondContact O-N 2.87Å; Y221-Q225 VanDerWaalsContact CZ-NE2 3.26Å; Y221-Q225 WeakPolarHBondContact O-CG 3.22Å; Y221-Q225 PolarHBondContact O-N 3.19Å; Y221-Q225 PolarHBondContact O-NE2 3.03Å; Y221-Q246 WeakPolarHBondContact OH-CG 3.27Å; Y221-Q246 PolarHBondContact OH-NE2 2.92Å; Y221-L249 HydrophobicContact CD2-CD2 3.51Å; Y221-L249 HydrophobicContact CD2-CG 4.38Å; Y221-L249 HydrophobicContact CE2-CD2 3.51Å; Y221-L249 HydrophobicContact CE2-CG 4.09Å; Y221-L249 HydrophobicContact CG-CD2 4.4Å; Y221-D250 WeakPolarHBondContact CE2-OD1 3.06Å; Y221-D250 PolarHBondContact OH-OD1 3.43Å; Y221-D250 PolarHBondContact OH-OD2 3.37Å; Y221-L253 HydrophobicContact CD2-CD1 4.32Å; Y221-L253 HydrophobicContact CE2-CD1 4.22Å
222K98.3Very high98.1Very high103 Ų10373.8 Ų73.845%0.44838%0.383SS..Hα-helixtrans-67.2-44.6173.6-171.8-179.9178.4-172.10112A218 E219 F220 F224 Q225 L226A218-K222 PolarHBondContact O-N 2.81Å; E219-K222 WeakPolarHBondContact O-CB 3.49Å; E219-K222 PolarHBondContact O-N 3.1Å; F220-K222 VanDerWaalsContact C-N 3.26Å; F220-K222 PolarHBondContact O-N 3.25Å; K222-F224 VanDerWaalsContact C-N 3.31Å; K222-F224 PolarHBondContact O-N 2.85Å; K222-Q225 WeakPolarHBondContact O-CB 3.46Å; K222-Q225 PolarHBondContact O-N 3.27Å; K222-Q225 VanDerWaalsContact O-N 3.13Å; K222-L226 HydrophobicContact CG-CD1 4.2Å; K222-L226 HydrophobicContact CG-CG 4.5Å; K222-L226 VanDerWaalsContact O-CG 3.3Å; K222-L226 WeakPolarHBondContact O-CG 2.99Å; K222-L226 PolarHBondContact O-N 2.86Å
223I98.6Very high98Very high65 Ų6577.4 Ų77.433%0.33339%0.394SS..Hα-helixtrans-54.5-48.6174.8-72.1159.5000110E219 F220 Q225 L226 E227E219-I223 HydrophobicContact CG-CD1 4.38Å; E219-I223 WeakPolarHBondContact O-CG1 3.46Å; E219-I223 PolarHBondContact O-N 3.42Å; F220-I223 PolarHBondContact O-N 3.02Å; I223-Q225 VanDerWaalsContact C-N 3.3Å; I223-Q225 PolarHBondContact O-N 3.29Å; I223-L226 PolarHBondContact O-N 2.83Å; I223-E227 HydrophobicContact CG2-CG 4.08Å; I223-E227 WeakPolarHBondContact O-CG 3.2Å; I223-E227 PolarHBondContact O-N 3.2Å
224F98.6Very high97.8Very high101 Ų10176.2 Ų76.244%0.44339%0.387SS..Hα-helixtrans-58.7-39.6178.4-62.8-32.7000113.2F220 K222 E227 I228 L249F220-F224 HydrophobicContact CB-CE2 4.42Å; F220-F224 HydrophobicContact CD1-CZ 4.25Å; F220-F224 VanDerWaalsContact O-CD2 3.3Å; F220-F224 WeakPolarHBondContact O-CD2 3.22Å; F220-F224 VanDerWaalsContact O-CG 3.28Å; F220-F224 WeakPolarHBondContact O-CG 3.36Å; F220-F224 PolarHBondContact O-N 3.23Å; K222-F224 VanDerWaalsContact C-N 3.31Å; K222-F224 PolarHBondContact O-N 2.85Å; F224-E227 PolarHBondContact O-N 2.71Å; F224-I228 VanDerWaalsContact O-CG1 3.3Å; F224-I228 WeakPolarHBondContact O-CG1 3.34Å; F224-I228 PolarHBondContact O-N 3.48Å; F224-L249 HydrophobicContact CB-CD1 4.07Å; F224-L249 HydrophobicContact CB-CD2 3.69Å
225Q98.2Very high97.6Very high27 Ų2775.8 Ų75.813%0.12639%0.391CS..Hα-helixtrans-63.9-42174.5-64.3171.142.500112.1Y221 K222 I223 I228 G229 W245 Q246 L249Y221-Q225 VanDerWaalsContact CZ-NE2 3.26Å; Y221-Q225 WeakPolarHBondContact O-CG 3.22Å; Y221-Q225 PolarHBondContact O-N 3.19Å; Y221-Q225 PolarHBondContact O-NE2 3.03Å; K222-Q225 WeakPolarHBondContact O-CB 3.46Å; K222-Q225 PolarHBondContact O-N 3.27Å; K222-Q225 VanDerWaalsContact O-N 3.13Å; I223-Q225 VanDerWaalsContact C-N 3.3Å; I223-Q225 PolarHBondContact O-N 3.29Å; Q225-I228 PolarHBondContact O-N 2.71Å; Q225-G229 PolarHBondContact O-N 2.86Å; Q225-W245 WeakPolarHBondContact O-CB 3.34Å; Q225-Q246 HydrophobicContact CG-CB 4.36Å; Q225-L249 HydrophobicContact CG-CB 4.45Å; Q225-L249 HydrophobicContact CG-CD2 3.62Å
226L98.1Very high97.5Very high42 Ų4281.3 Ų81.322%0.2241%0.411CS..Hα-helixtrans-69.8-34180-62174.4000111.9K222 I223 G229 E230 V231K222-L226 HydrophobicContact CG-CD1 4.2Å; K222-L226 HydrophobicContact CG-CG 4.5Å; K222-L226 VanDerWaalsContact O-CG 3.3Å; K222-L226 WeakPolarHBondContact O-CG 2.99Å; K222-L226 PolarHBondContact O-N 2.86Å; I223-L226 PolarHBondContact O-N 2.83Å; L226-G229 CarbonylContact O-C 3.51Å; L226-G229 PolarHBondContact O-N 2.99Å; L226-E230 PolarHBondContact O-N 3.49Å; L226-E230 VanDerWaalsContact O-N 3.11Å; L226-V231 HydrophobicContact CB-CB 4.34Å; L226-V231 HydrophobicContact CB-CG2 4.09Å; L226-V231 HydrophobicContact CD2-CG2 3.83Å; L226-V231 WeakPolarHBondContact O-CG2 3.46Å; L226-V231 PolarHBondContact O-N 3.19Å; L226-V231 VanDerWaalsContact O-N 3.11Å
227E98.3Very high97.3Very high105 Ų10578 Ų7849%0.49140%0.395SS..Hα-helixtrans-69.8-39.5174.9-70.9-52.6135.800112.3I223 F224 G229 E230I223-E227 HydrophobicContact CG2-CG 4.08Å; I223-E227 WeakPolarHBondContact O-CG 3.2Å; I223-E227 PolarHBondContact O-N 3.2Å; F224-E227 PolarHBondContact O-N 2.71Å; E227-G229 PolarHBondContact O-N 3.47Å; E227-E230 PolarHBondContact O-N 2.77Å
228I98Very high97.2Very high73 Ų7377.3 Ų77.337%0.37439%0.387SS..Hα-helixtrans-56.5-36.2170.6-72.8164.8000111.1F224 Q225 E230 W245 T248 L249F224-I228 VanDerWaalsContact O-CG1 3.3Å; F224-I228 WeakPolarHBondContact O-CG1 3.34Å; F224-I228 PolarHBondContact O-N 3.48Å; Q225-I228 PolarHBondContact O-N 2.71Å; I228-E230 VanDerWaalsContact C-N 3.34Å; I228-W245 HydrophobicContact CB-CB 4.35Å; I228-W245 HydrophobicContact CG2-CB 3.95Å; I228-W245 HydrophobicContact CG2-CG 4.13Å; I228-T248 HydrophobicContact CG2-CG2 4.39Å; I228-L249 HydrophobicContact CD1-CB 3.71Å; I228-L249 HydrophobicContact CD1-CD1 4.13Å; I228-L249 HydrophobicContact CD1-CG 4.41Å
229G97.2Very high97.1Very high6 Ų681.6 Ų81.66%0.06240%0.395CS..THydrogen-bonded Turntrans-84-3.7178.300000115.9Q225 L226 E227 V231 W245Q225-G229 PolarHBondContact O-N 2.86Å; L226-G229 CarbonylContact O-C 3.51Å; L226-G229 PolarHBondContact O-N 2.99Å; E227-G229 PolarHBondContact O-N 3.47Å; G229-V231 PolarHBondContact O-N 2.52Å; G229-W245 VanDerWaalsContact CA-CD2 3.42Å
230E97.9Very high97Very high77 Ų7782.1 Ų82.136%0.3640%0.398SS..THydrogen-bonded Turntrans45.847.9-172.5-58.5-1779800112.1L226 E227 I228 Y232 K233 N234L226-E230 PolarHBondContact O-N 3.49Å; L226-E230 VanDerWaalsContact O-N 3.11Å; E227-E230 PolarHBondContact O-N 2.77Å; I228-E230 VanDerWaalsContact C-N 3.34Å; E230-Y232 HydrophobicContact CB-CD1 4.28Å; E230-Y232 HydrophobicContact CB-CE1 3.71Å; E230-Y232 HydrophobicContact CG-CE1 4.02Å; E230-Y232 PolarHBondContact O-N 3.07Å; E230-Y232 PolarHBondContact OE1-OH 3.29Å; E230-K233 HydrophobicContact CB-CD 4.35Å; E230-K233 WeakPolarHBondContact O-CA 3.44Å; E230-K233 WeakPolarHBondContact O-CB 3.48Å; E230-K233 PolarHBondContact O-N 2.94Å; E230-K233 IonicContact OE1-NZ 2.65Å; E230-K233 PolarHBondContact OE1-NZ 3.36Å; E230-N234 PolarHBondContact O-N 2.68Å
231V97.6Very high96.9Very high30 Ų3079.9 Ų79.918%0.18239%0.389CS..THydrogen-bonded Turntrans-59.9-24.7-173.9172.60000112.6L226 G229 K233 N234 W245L226-V231 HydrophobicContact CB-CB 4.34Å; L226-V231 HydrophobicContact CB-CG2 4.09Å; L226-V231 HydrophobicContact CD2-CG2 3.83Å; L226-V231 WeakPolarHBondContact O-CG2 3.46Å; L226-V231 PolarHBondContact O-N 3.19Å; L226-V231 VanDerWaalsContact O-N 3.11Å; G229-V231 PolarHBondContact O-N 2.52Å; V231-K233 PolarHBondContact O-N 3.31Å; V231-N234 CarbonylContact O-C 3.28Å; V231-N234 VanDerWaalsContact O-C 3.28Å; V231-N234 PolarHBondContact O-N 3.22Å; V231-W245 HydrophobicContact CG2-CE3 4.41Å; V231-W245 HydrophobicContact CG2-CH2 3.63Å; V231-W245 HydrophobicContact CG2-CZ3 3.35Å
232Y96Very high96.8Very high149 Ų14981 Ų8158%0.58439%0.392SS*.THydrogen-bonded Turntrans-61.2-24.2171.271.7-85.4000113.5E230E230-Y232 HydrophobicContact CB-CD1 4.28Å; E230-Y232 HydrophobicContact CB-CE1 3.71Å; E230-Y232 HydrophobicContact CG-CE1 4.02Å; E230-Y232 PolarHBondContact O-N 3.07Å; E230-Y232 PolarHBondContact OE1-OH 3.29Å
233K96.5Very high96.8Very high120 Ų12082 Ų8252%0.52240%0.397SS..THydrogen-bonded Turntrans-96.2-35.3169.9-66.7173.5-178.7160.60112.3E230 V231 P235E230-K233 HydrophobicContact CB-CD 4.35Å; E230-K233 WeakPolarHBondContact O-CA 3.44Å; E230-K233 WeakPolarHBondContact O-CB 3.48Å; E230-K233 PolarHBondContact O-N 2.94Å; E230-K233 IonicContact OE1-NZ 2.65Å; E230-K233 PolarHBondContact OE1-NZ 3.36Å; V231-K233 PolarHBondContact O-N 3.31Å; K233-P235 VanDerWaalsContact O-CD 3.28Å; K233-P235 WeakPolarHBondContact O-CD 3.42Å
234N94Very high96.8Very high87 Ų8785.8 Ų85.847%0.46541%0.407SS..  trans-119.176.3-172.4-59.2-54.2000111.2E230 V231 N236E230-N234 PolarHBondContact O-N 2.68Å; V231-N234 CarbonylContact O-C 3.28Å; V231-N234 VanDerWaalsContact O-C 3.28Å; V231-N234 PolarHBondContact O-N 3.22Å; N234-N236 VanDerWaalsContact C-N 3.26Å; N234-N236 PolarHBondContact O-N 2.85Å
235P93.9Very high96.8Very high85 Ų8582.8 Ų82.855%0.55239%0.393SS*.THydrogen-bonded Turntrans-65.7-28-171.624.8-34.4000113.4K233K233-P235 VanDerWaalsContact O-CD 3.28Å; K233-P235 WeakPolarHBondContact O-CD 3.42Å
236N94.6Very high96.8Very high155 Ų15585.1 Ų85.183%0.82940%0.403SS*.THydrogen-bonded Turntrans-101.129.3-168.9-65.3-27.9000114.4N234N234-N236 VanDerWaalsContact C-N 3.26Å; N234-N236 PolarHBondContact O-N 2.85Å
237A94.6Very high96.8Very high14 Ų1485.9 Ų85.912%0.11642%0.416CS..  trans-62.3138.718000000113.3E241 R242 W245A237-E241 VanDerWaalsContact CA-OE2 3.26Å; A237-E241 WeakPolarHBondContact CA-OE2 3.49Å; A237-E241 HydrophobicContact CB-CB 4.3Å; A237-R242 PolarHBondContact O-NE 2.74Å; A237-W245 HydrophobicContact CB-CH2 3.17Å; A237-W245 HydrophobicContact CB-CZ2 3.84Å; A237-W245 HydrophobicContact CB-CZ3 3.93Å
238S96.4Very high96.8Very high45 Ų4584.6 Ų84.632%0.31542%0.416SS..  trans-68.8166-177.297.10000112.6E240 E241 R242S238-E240 VanDerWaalsContact C-N 3.27Å; S238-E240 WeakPolarHBondContact CB-OE2 3.42Å; S238-E240 PolarHBondContact O-N 3.25Å; S238-E240 PolarHBondContact OG-N 2.99Å; S238-E240 PolarHBondContact OG-OE2 3.44Å; S238-E241 PolarHBondContact N-OE2 3.48Å; S238-E241 PolarHBondContact O-N 2.98Å; S238-E241 PolarHBondContact OG-N 2.61Å; S238-R242 WeakPolarHBondContact O-CG 3.22Å; S238-R242 PolarHBondContact O-N 3.17Å
239K96.3Very high96.9Very high146 Ų14681.8 Ų81.864%0.63540%0.401SS*.Hα-helixtrans-62.5-36.8175.3-170.8176.5-177.11760111.6R242 K243K239-R242 PolarHBondContact O-N 3.18Å; K239-K243 WeakPolarHBondContact O-CG 3.27Å; K239-K243 PolarHBondContact O-N 2.9Å
240E97.3Very high96.9Very high109 Ų10984.6 Ų84.651%0.50942%0.415SS..Hα-helixtrans-68.1-39.8178-61.366.7-140.700111.3S238 K243 R244S238-E240 VanDerWaalsContact C-N 3.27Å; S238-E240 WeakPolarHBondContact CB-OE2 3.42Å; S238-E240 PolarHBondContact O-N 3.25Å; S238-E240 PolarHBondContact OG-N 2.99Å; S238-E240 PolarHBondContact OG-OE2 3.44Å; E240-K243 PolarHBondContact O-N 2.87Å; E240-R244 WeakPolarHBondContact O-CG 3.41Å; E240-R244 PolarHBondContact O-N 2.8Å
241E96.6Very high97Very high72 Ų7288.7 Ų88.734%0.33643%0.431SS..Hα-helixtrans-60.3-50.2172.8-80.1171156.200111.6A237 S238 K243 R244 W245A237-E241 VanDerWaalsContact CA-OE2 3.26Å; A237-E241 WeakPolarHBondContact CA-OE2 3.49Å; A237-E241 HydrophobicContact CB-CB 4.3Å; S238-E241 PolarHBondContact N-OE2 3.48Å; S238-E241 PolarHBondContact O-N 2.98Å; S238-E241 PolarHBondContact OG-N 2.61Å; E241-K243 VanDerWaalsContact C-N 3.29Å; E241-K243 PolarHBondContact O-N 3.19Å; E241-R244 WeakPolarHBondContact O-CA 3.4Å; E241-R244 WeakPolarHBondContact O-CB 3.46Å; E241-R244 PolarHBondContact O-N 2.85Å; E241-R244 IonicContact OE1-NH2 2.77Å; E241-W245 HydrophobicContact CB-CZ2 4.2Å; E241-W245 PolarHBondContact O-N 3.21Å
242R96.9Very high97Very high90 Ų9092.3 Ų92.334%0.3445%0.446SS..Hα-helixtrans-59-40.1177.4-68.3169.8-175.3-96.71.3112.1A237 S238 K239 R244 W245 Q246A237-R242 PolarHBondContact O-NE 2.74Å; S238-R242 WeakPolarHBondContact O-CG 3.22Å; S238-R242 PolarHBondContact O-N 3.17Å; K239-R242 PolarHBondContact O-N 3.18Å; R242-R244 VanDerWaalsContact C-N 3.33Å; R242-R244 PolarHBondContact O-N 2.64Å; R242-W245 HydrophobicContact CB-CE3 4.26Å; R242-W245 HydrophobicContact CG-CE3 3.87Å; R242-W245 HydrophobicContact CG-CZ3 3.67Å; R242-W245 PolarHBondContact O-N 3.04Å; R242-Q246 PolarHBondContact O-N 3.23Å
243K97.9Very high97.1Very high123 Ų12389.7 Ų89.754%0.53544%0.442SS..Hα-helixtrans-62-37.1173-77.5-179.6176.7-1740112.8K239 E240 E241 Q246 A247K239-K243 WeakPolarHBondContact O-CG 3.27Å; K239-K243 PolarHBondContact O-N 2.9Å; E240-K243 PolarHBondContact O-N 2.87Å; E241-K243 VanDerWaalsContact C-N 3.29Å; E241-K243 PolarHBondContact O-N 3.19Å; K243-Q246 PolarHBondContact O-N 3.4Å; K243-A247 PolarHBondContact O-N 2.98Å
244R98.2Very high97.2Very high145 Ų14594.7 Ų94.755%0.54746%0.457SS..Hα-helixtrans-67-39.1175.4-71.1-169.2-63.1-101.610.8111.7E240 E241 R242 A247 T248E240-R244 WeakPolarHBondContact O-CG 3.41Å; E240-R244 PolarHBondContact O-N 2.8Å; E241-R244 WeakPolarHBondContact O-CA 3.4Å; E241-R244 WeakPolarHBondContact O-CB 3.46Å; E241-R244 PolarHBondContact O-N 2.85Å; E241-R244 IonicContact OE1-NH2 2.77Å; R242-R244 VanDerWaalsContact C-N 3.33Å; R242-R244 PolarHBondContact O-N 2.64Å; R244-A247 PolarHBondContact O-N 3.38Å; R244-T248 WeakPolarHBondContact O-CB 3.12Å; R244-T248 PolarHBondContact O-N 3.17Å; R244-T248 PolarHBondContact O-OG1 2.87Å
245W98.3Very high97.3Very high38 Ų3898.7 Ų98.714%0.14447%0.47CS..Hα-helixtrans-64.8-42.1175.6-52.7-29.5000111.7Q225 I228 G229 V231 A237 E241 R242 T248 L249Q225-W245 WeakPolarHBondContact O-CB 3.34Å; I228-W245 HydrophobicContact CB-CB 4.35Å; I228-W245 HydrophobicContact CG2-CB 3.95Å; I228-W245 HydrophobicContact CG2-CG 4.13Å; G229-W245 VanDerWaalsContact CA-CD2 3.42Å; V231-W245 HydrophobicContact CG2-CE3 4.41Å; V231-W245 HydrophobicContact CG2-CH2 3.63Å; V231-W245 HydrophobicContact CG2-CZ3 3.35Å; A237-W245 HydrophobicContact CB-CH2 3.17Å; A237-W245 HydrophobicContact CB-CZ2 3.84Å; A237-W245 HydrophobicContact CB-CZ3 3.93Å; E241-W245 HydrophobicContact CB-CZ2 4.2Å; E241-W245 PolarHBondContact O-N 3.21Å; R242-W245 HydrophobicContact CB-CE3 4.26Å; R242-W245 HydrophobicContact CG-CE3 3.87Å; R242-W245 HydrophobicContact CG-CZ3 3.67Å; R242-W245 PolarHBondContact O-N 3.04Å; W245-T248 WeakPolarHBondContact O-CB 3.5Å; W245-T248 PolarHBondContact O-N 2.87Å; W245-L249 PolarHBondContact O-N 2.88Å
246Q98.3Very high97.3Very high76 Ų76106.2 Ų106.236%0.35549%0.488SS..Hα-helixtrans-56.5-53.6171.9-170.3-179.1100111.9Y221 Q225 R242 K243 T248 L249 D250Y221-Q246 WeakPolarHBondContact OH-CG 3.27Å; Y221-Q246 PolarHBondContact OH-NE2 2.92Å; Q225-Q246 HydrophobicContact CG-CB 4.36Å; R242-Q246 PolarHBondContact O-N 3.23Å; K243-Q246 PolarHBondContact O-N 3.4Å; Q246-T248 PolarHBondContact O-N 2.77Å; Q246-L249 WeakPolarHBondContact O-CB 3.24Å; Q246-L249 PolarHBondContact O-N 3.49Å; Q246-L249 VanDerWaalsContact O-N 3.1Å; Q246-D250 VanDerWaalsContact O-CG 3.25Å; Q246-D250 PolarHBondContact O-N 2.64Å
247A98.4Very high97.5Very high58 Ų58103.8 Ų103.848%0.47947%0.471SS..Hα-helixtrans-60.3-32.3178.400000112.8K243 R244 K251K243-A247 PolarHBondContact O-N 2.98Å; R244-A247 PolarHBondContact O-N 3.38Å; A247-K251 WeakPolarHBondContact O-CB 3.48Å; A247-K251 PolarHBondContact O-N 2.88Å; A247-K251 VanDerWaalsContact O-N 3.08Å
248T98.5Very high97.6Very high79 Ų79108.5 Ų108.549%0.48549%0.489SS..Hα-helixtrans-66.8-47.3175.3-59.30000111.1I228 R244 W245 Q246 H252I228-T248 HydrophobicContact CG2-CG2 4.39Å; R244-T248 WeakPolarHBondContact O-CB 3.12Å; R244-T248 PolarHBondContact O-N 3.17Å; R244-T248 PolarHBondContact O-OG1 2.87Å; W245-T248 WeakPolarHBondContact O-CB 3.5Å; W245-T248 PolarHBondContact O-N 2.87Å; Q246-T248 PolarHBondContact O-N 2.77Å; T248-H252 WeakPolarHBondContact O-CB 3.25Å; T248-H252 PolarHBondContact O-N 2.9Å
249L98.6Very high97.7Very high13 Ų13112 Ų1127%0.06850%0.499CS..Hα-helixtrans-60.7-49.1175.6-178.159.3000111.1Y221 F224 Q225 I228 W245 Q246 K251 H252 L253Y221-L249 HydrophobicContact CD2-CD2 3.51Å; Y221-L249 HydrophobicContact CD2-CG 4.38Å; Y221-L249 HydrophobicContact CE2-CD2 3.51Å; Y221-L249 HydrophobicContact CE2-CG 4.09Å; Y221-L249 HydrophobicContact CG-CD2 4.4Å; F224-L249 HydrophobicContact CB-CD1 4.07Å; F224-L249 HydrophobicContact CB-CD2 3.69Å; Q225-L249 HydrophobicContact CG-CB 4.45Å; Q225-L249 HydrophobicContact CG-CD2 3.62Å; I228-L249 HydrophobicContact CD1-CB 3.71Å; I228-L249 HydrophobicContact CD1-CD1 4.13Å; I228-L249 HydrophobicContact CD1-CG 4.41Å; W245-L249 PolarHBondContact O-N 2.88Å; Q246-L249 WeakPolarHBondContact O-CB 3.24Å; Q246-L249 PolarHBondContact O-N 3.49Å; Q246-L249 VanDerWaalsContact O-N 3.1Å; L249-K251 VanDerWaalsContact C-N 3.31Å; L249-K251 PolarHBondContact O-N 3.36Å; L249-H252 WeakPolarHBondContact O-CA 3.38Å; L249-H252 WeakPolarHBondContact O-CB 3.45Å; L249-H252 PolarHBondContact O-N 3.46Å; L249-L253 HydrophobicContact CD1-CD1 4.06Å; L249-L253 HydrophobicContact CD1-CD2 4.44Å; L249-L253 HydrophobicContact CD1-CG 3.97Å; L249-L253 HydrophobicContact CD2-CD1 4.5Å; L249-L253 HydrophobicContact CG-CD1 3.87Å; L249-L253 HydrophobicContact CG-CG 4.22Å; L249-L253 WeakPolarHBondContact O-CG 3.38Å; L249-L253 PolarHBondContact O-N 3.14Å
250D98.6Very high97.8Very high66 Ų66110 Ų11035%0.35349%0.491SS..Hα-helixtrans-59-43.2-178.5-67.4-18.9000112Y221 Q246 H252 R254Y221-D250 WeakPolarHBondContact CE2-OD1 3.06Å; Y221-D250 PolarHBondContact OH-OD1 3.43Å; Y221-D250 PolarHBondContact OH-OD2 3.37Å; Q246-D250 VanDerWaalsContact O-CG 3.25Å; Q246-D250 PolarHBondContact O-N 2.64Å; D250-H252 VanDerWaalsContact C-N 3.32Å; D250-H252 PolarHBondContact O-N 3.26Å; D250-R254 WeakPolarHBondContact O-CB 3.48Å; D250-R254 PolarHBondContact O-N 3.11Å; D250-R254 VanDerWaalsContact O-N 3.08Å
251K98.6Very high97.8Very high162 Ų162110.1 Ų110.170%0.70449%0.49SS*.Hα-helixtrans-65.9-36.9176-173.1177.2-179.11790111.7A247 L249 K255A247-K251 WeakPolarHBondContact O-CB 3.48Å; A247-K251 PolarHBondContact O-N 2.88Å; A247-K251 VanDerWaalsContact O-N 3.08Å; L249-K251 VanDerWaalsContact C-N 3.31Å; L249-K251 PolarHBondContact O-N 3.36Å; K251-K255 WeakPolarHBondContact O-CB 3.4Å; K251-K255 PolarHBondContact O-N 3.02Å
252H98.3Very high97.9Very high106 Ų106112.6 Ų112.649%0.49150%0.5SS..Hα-helixtrans-69.9-47.3178.7-164.395.2000111.9T248 L249 D250 R254 K255 R256T248-H252 WeakPolarHBondContact O-CB 3.25Å; T248-H252 PolarHBondContact O-N 2.9Å; L249-H252 WeakPolarHBondContact O-CA 3.38Å; L249-H252 WeakPolarHBondContact O-CB 3.45Å; L249-H252 PolarHBondContact O-N 3.46Å; D250-H252 VanDerWaalsContact C-N 3.32Å; D250-H252 PolarHBondContact O-N 3.26Å; H252-R254 VanDerWaalsContact C-N 3.28Å; H252-R254 PolarHBondContact O-N 2.97Å; H252-K255 PolarHBondContact O-N 3.11Å; H252-R256 PolarHBondContact O-N 2.67Å; H252-R256 VanDerWaalsContact O-N 3.13Å
253L98.2Very high98Very high95 Ų95114.2 Ų114.250%0.49751%0.512SS..Hα-helixtrans-60.1-36.6177.4-70.9175.6000112.1Y221 L249 K255Y221-L253 HydrophobicContact CD2-CD1 4.32Å; Y221-L253 HydrophobicContact CE2-CD1 4.22Å; L249-L253 HydrophobicContact CD1-CD1 4.06Å; L249-L253 HydrophobicContact CD1-CD2 4.44Å; L249-L253 HydrophobicContact CD1-CG 3.97Å; L249-L253 HydrophobicContact CD2-CD1 4.5Å; L249-L253 HydrophobicContact CG-CD1 3.87Å; L249-L253 HydrophobicContact CG-CG 4.22Å; L249-L253 WeakPolarHBondContact O-CG 3.38Å; L249-L253 PolarHBondContact O-N 3.14Å; L253-K255 VanDerWaalsContact C-N 3.33Å
254R97.9Very high98Very high224 Ų224113.5 Ų113.585%0.84551%0.51SS*.Hα-helixtrans-69.8-30.1174.5-177.4-179.5-66.9-113.90.1113.2D250 H252D250-R254 WeakPolarHBondContact O-CB 3.48Å; D250-R254 PolarHBondContact O-N 3.11Å; D250-R254 VanDerWaalsContact O-N 3.08Å; H252-R254 VanDerWaalsContact C-N 3.28Å; H252-R254 PolarHBondContact O-N 2.97Å
255K97.7Very high97.9Very high171 Ų171110.9 Ų110.974%0.74351%0.507SS*.Hα-helixtrans-81.5-34.8-173.7-179.5179.7177.3-176.30112.4K251 H252 L253K251-K255 WeakPolarHBondContact O-CB 3.4Å; K251-K255 PolarHBondContact O-N 3.02Å; H252-K255 PolarHBondContact O-N 3.11Å; L253-K255 VanDerWaalsContact C-N 3.33Å
256R93.9Very high97.9Very high243 Ų243117.5 Ų117.592%0.91754%0.54SS*.  trans-88.70-180-68.6-60.3-168174.52.9110.6H252H252-R256 PolarHBondContact O-N 2.67Å; H252-R256 VanDerWaalsContact O-N 3.13Å

Retrieved 256 of 256 residues in 421.2 ms (Link to these results)

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