A0A077ZD14_TRITR Loading...

VWA domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZD14, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 383 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
1M36.5Very low34.6Very low209 Ų209168.9 Ų168.9100%1.0381%0.81SS**  087.70-166.7176.4-106.900106Y3M1-Y3 PolarHBondContact O-N 3.05Å
2L30.5Very low35.4Very low164 Ų164167.7 Ų167.786%0.85980%0.802SS**  trans-84.8110.7-175.7-84.5151.5000107.5F4L2-F4 PolarHBondContact O-N 3.48Å
3Y32.7Very low36.5Very low177 Ų177158.3 Ų158.369%0.69477%0.765SS**  trans-71.2107175-72-91000108.2M1 F5M1-Y3 PolarHBondContact O-N 3.05Å; Y3-F5 VanDerWaalsContact C-N 3.35Å; Y3-F5 PolarHBondContact O-N 3.24Å
4F31.8Very low37.7Very low196 Ų196161.1 Ų161.186%0.8676%0.763SS**  trans-68.497.2163.6-82.6-93.3000107.3L2 K6L2-F4 PolarHBondContact O-N 3.48Å; F4-K6 VanDerWaalsContact C-N 3.27Å; F4-K6 PolarHBondContact O-N 3.31Å
5F34.2Very low39.5Very low180 Ų180153.7 Ų153.779%0.78973%0.728SS**  trans-65.399.4157.9-72.5-86.6000105.6Y3 D7Y3-F5 VanDerWaalsContact C-N 3.35Å; Y3-F5 PolarHBondContact O-N 3.24Å; F5-D7 PolarHBondContact O-N 2.79Å
6K31.3Very low41.6Very low191 Ų191146.3 Ų146.383%0.8370%0.697SS**  trans-65.4105.5167.8-171.3177.9-178.2-176.90104.8F4 I8F4-K6 VanDerWaalsContact C-N 3.27Å; F4-K6 PolarHBondContact O-N 3.31Å; K6-I8 VanDerWaalsContact C-N 3.33Å; K6-I8 PolarHBondContact O-N 3Å
7D33Very low44.4Very low144 Ų144139.6 Ų139.677%0.7767%0.669SS**  trans-48.5105168.5-66.7-48.7000106.6F5 E9F5-D7 PolarHBondContact O-N 2.79Å; D7-E9 PolarHBondContact O-N 3.41Å
8I33.5Very low47.1Very low158 Ų158131.9 Ų131.981%0.8163%0.632SS**  trans-67.994.3161.7-61173.4000101.3K6 E10K6-I8 VanDerWaalsContact C-N 3.33Å; K6-I8 PolarHBondContact O-N 3Å; I8-E10 PolarHBondContact O-N 3.08Å
9E36.2Very low49.7Very low172 Ų172124.9 Ų124.980%0.80460%0.599SS**  trans-42.5113.6165.9-79.7178.6155.900105.3D7 S11D7-E9 PolarHBondContact O-N 3.41Å; E9-S11 VanDerWaalsContact C-N 3.25Å; E9-S11 PolarHBondContact O-N 3.11Å
10E38.4Very low52.1Low174 Ų174118.8 Ų118.881%0.81357%0.569SS**  trans-46.5105.4165-77.9177.1151.300104.5I8 Q12I8-E10 PolarHBondContact O-N 3.08Å; E10-Q12 PolarHBondContact O-N 3.38Å
11S42.3Very low54.3Low93 Ų93113.1 Ų113.165%0.6554%0.542SS*.  trans-61.291.8174.153.20000104.5E9 C13E9-S11 VanDerWaalsContact C-N 3.25Å; E9-S11 PolarHBondContact O-N 3.11Å; S11-C13 PolarHBondContact O-N 2.91Å
12Q44.8Very low57.3Low154 Ų154103.1 Ų103.172%0.7249%0.493SS*.  trans-57.3104.6-174.4-85.6177-8.600106.3E10 R14E10-Q12 PolarHBondContact O-N 3.38Å; Q12-R14 PolarHBondContact O-N 2.94Å
13C48.9Very low60.5Low46 Ų4695.3 Ų95.331%0.31145%0.452SS..  trans-58.8109.1172.7-55.70000106.4S11 K192 C194S11-C13 PolarHBondContact O-N 2.91Å; C13-K192 HydrophobicContact CB-CB 4.05Å; C13-K192 HydrophobicContact CB-CD 4.25Å; C13-C194 HydrophobicContact CB-CB 4.07Å; C13-C194 WeakPolarHBondContact CB-SG 3.41Å; C13-C194 VanDerWaalsContact SG-CA 3.55Å; C13-C194 WeakPolarHBondContact SG-CB 3.31Å; C13-C194 CovalentContact SG-SG 2.06Å; C13-C194 PolarHBondContact SG-SG 3.47Å
14R53.9Low63.6Low197 Ų19786.9 Ų86.974%0.74342%0.419SS*.EExtended strand (participates in β ladder)trans-84.3129.6172.8-78.3-173.9176.9-174.8-1.6107.6Q12 S16Q12-R14 PolarHBondContact O-N 2.94Å; R14-S16 PolarHBondContact O-N 3.11Å
15E64.7Low66.7Low51 Ų5177.6 Ų77.624%0.23838%0.378CS..EExtended strand (participates in β ladder)trans-58.9132.2169.5-67173176.100107.4P49 S51 G54 K192E15-P49 HydrophobicContact CG-CB 4.37Å; E15-S51 PolarHBondContact OE2-OG 2.99Å; E15-G54 WeakPolarHBondContact OE2-CA 3.5Å; E15-K192 HydrophobicContact CG-CG 4.09Å
16S72.9Confident69.6Low34 Ų3469 Ų6924%0.23834%0.341CS..PPolyproline II helixtrans-72.8129.8174.3-76.70000109R14 V18 N193R14-S16 PolarHBondContact O-N 3.11Å; S16-V18 PolarHBondContact O-N 3.12Å; S16-N193 WeakPolarHBondContact OG-CB 3.13Å; S16-N193 PolarHBondContact OG-ND2 2.89Å
17P89.1Confident72.5Confident33 Ų3359.9 Ų59.921%0.21430%0.301CS..PPolyproline II helixtrans-63.2127.4-177.624.7-32.1000108.9G54 R113 E115 A116 K117P17-G54 WeakPolarHBondContact CA-O 3.5Å; P17-R113 VanDerWaalsContact CB-NH1 3.35Å; P17-E115 HydrophobicContact CB-CG 4.43Å; P17-E115 HydrophobicContact CG-CG 3.73Å; P17-A116 HydrophobicContact CB-CB 3.97Å; P17-A116 CarbonylContact O-C 3.48Å; P17-A116 WeakPolarHBondContact O-CA 2.78Å; P17-A116 WeakPolarHBondContact O-CB 3.47Å; P17-K117 PolarHBondContact O-N 2.51Å
18V93.6Very high75Confident1 Ų155 Ų551%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-129.2134.2177.3173.40000109.3S16 G54 T55 H56 R113 K117 I119 T190S16-V18 PolarHBondContact O-N 3.12Å; V18-G54 PolarHBondContact N-O 3.24Å; V18-T55 HydrophobicContact CB-CG2 4.33Å; V18-T55 HydrophobicContact CG1-CG2 4.25Å; V18-T55 CarbonylContact O-C 3.56Å; V18-T55 VanDerWaalsContact O-CA 3.22Å; V18-T55 WeakPolarHBondContact O-CA 3.5Å; V18-H56 PolarHBondContact O-N 3.01Å; V18-R113 PolarHBondContact O-NH2 3.33Å; V18-K117 CarbonylContact C-O 3.57Å; V18-K117 WeakPolarHBondContact CA-O 3.45Å; V18-K117 HydrophobicContact CG2-CB 4.24Å; V18-I119 HydrophobicContact CG1-CD1 3.57Å; V18-I119 HydrophobicContact CG1-CG1 3.83Å; V18-T190 HydrophobicContact CB-CG2 3.95Å; V18-T190 HydrophobicContact CG1-CG2 3.85Å; V18-T190 HydrophobicContact CG2-CG2 3.78Å
19D96.8Very high77.5Confident0 Ų050.1 Ų50.10%026%0.264CS..EExtended strand (participates in β ladder)trans-109.3110.4172.7-69.5-8000108.6F72 Y108 G112 R113 A116 K117 I119D19-F72 HydrophobicContact CB-CE1 4.14Å; D19-F72 HydrophobicContact CB-CE2 4.44Å; D19-F72 HydrophobicContact CB-CZ 3.83Å; D19-Y108 HydrophobicContact CB-CD1 4.27Å; D19-Y108 HydrophobicContact CB-CE1 4Å; D19-G112 WeakPolarHBondContact OD2-CA 3.31Å; D19-R113 IonicContact OD1-CZ 3.28Å; D19-R113 VanDerWaalsContact OD1-CZ 3.29Å; D19-R113 IonicContact OD1-NE 2.67Å; D19-R113 PolarHBondContact OD1-NE 2.91Å; D19-R113 IonicContact OD1-NH2 3.28Å; D19-R113 PolarHBondContact OD1-NH2 3.04Å; D19-R113 PolarHBondContact OD2-N 3.39Å; D19-A116 HydrophobicContact CB-CB 4.3Å; D19-K117 PolarHBondContact N-O 3.31Å; D19-I119 PolarHBondContact O-N 3.04Å
20L97.4Very high80Confident1 Ų141.9 Ų41.91%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-100.5117.8179.9171.361.4000109.9M22 L48 T55 H56 V57 A58 I119 V121L20-M22 HydrophobicContact CD1-CG 4.08Å; L20-M22 HydrophobicContact CD2-CG 4.11Å; L20-M22 HydrophobicContact CD2-SD 4.26Å; L20-M22 HydrophobicContact CG-CG 3.96Å; L20-L48 HydrophobicContact CD2-CD1 3.52Å; L20-T55 HydrophobicContact CB-CG2 4.07Å; L20-H56 PolarHBondContact N-O 3.37Å; L20-V57 HydrophobicContact CB-CG2 4.41Å; L20-V57 HydrophobicContact CD2-CG2 4.34Å; L20-V57 CarbonylContact O-C 3.6Å; L20-V57 VanDerWaalsContact O-CA 3.31Å; L20-V57 WeakPolarHBondContact O-CA 3.37Å; L20-A58 PolarHBondContact O-N 2.68Å; L20-I119 CarbonylContact C-O 3.58Å; L20-I119 WeakPolarHBondContact CA-O 3.19Å; L20-I119 HydrophobicContact CD1-CB 4.05Å; L20-I119 HydrophobicContact CD1-CG2 3.75Å; L20-V121 HydrophobicContact CD1-CB 4.42Å; L20-V121 HydrophobicContact CD1-CG2 3.68Å
21V98.6Very high82.5Confident0 Ų039 Ų390%021%0.212CC..EExtended strand (participates in β ladder)trans-100.3120.8166.5178.60000108.5V23 A58 L60 F72 Q107 Y108 I119 F120 V121V21-V23 HydrophobicContact CG1-CG2 3.84Å; V21-A58 WeakPolarHBondContact CA-O 3.31Å; V21-A58 HydrophobicContact CG2-CB 4.26Å; V21-L60 HydrophobicContact CG1-CD1 3.97Å; V21-F72 HydrophobicContact CG2-CE2 4.17Å; V21-F72 HydrophobicContact CG2-CZ 3.67Å; V21-Q107 HydrophobicContact CG2-CB 4.24Å; V21-Y108 HydrophobicContact CB-CE2 4.43Å; V21-Y108 HydrophobicContact CG2-CD1 4.11Å; V21-Y108 HydrophobicContact CG2-CD2 4.32Å; V21-Y108 HydrophobicContact CG2-CE1 3.57Å; V21-Y108 HydrophobicContact CG2-CE2 3.84Å; V21-Y108 HydrophobicContact CG2-CG 4.44Å; V21-Y108 VanDerWaalsContact CG2-CZ 3.42Å; V21-I119 PolarHBondContact N-O 2.94Å; V21-F120 HydrophobicContact CB-CD2 3.89Å; V21-F120 HydrophobicContact CB-CE2 4.16Å; V21-F120 HydrophobicContact CG1-CD2 3.96Å; V21-F120 HydrophobicContact CG1-CE2 3.7Å; V21-F120 HydrophobicContact CG1-CZ 4.38Å; V21-V121 PolarHBondContact O-N 2.95Å
22M98.5Very high84.8Confident0 Ų041.7 Ų41.70%022%0.215CC..EExtended strand (participates in β ladder)trans-105.8126170-65.2-172-73.700109.6L20 A41 L44 V45 V57 A58 L59 L60 V85 V121 M123L20-M22 HydrophobicContact CD1-CG 4.08Å; L20-M22 HydrophobicContact CD2-CG 4.11Å; L20-M22 HydrophobicContact CD2-SD 4.26Å; L20-M22 HydrophobicContact CG-CG 3.96Å; M22-A41 HydrophobicContact CE-CB 4.4Å; M22-A41 HydrophobicContact SD-CB 3.91Å; M22-L44 HydrophobicContact SD-CD1 4.06Å; M22-V45 HydrophobicContact CE-CG2 3.93Å; M22-V57 HydrophobicContact CE-CG1 3.58Å; M22-A58 PolarHBondContact N-O 2.81Å; M22-L59 HydrophobicContact CB-CD1 3.96Å; M22-L59 HydrophobicContact CE-CD1 4.37Å; M22-L59 WeakPolarHBondContact O-CA 3.43Å; M22-L60 PolarHBondContact O-N 3.35Å; M22-V85 HydrophobicContact CE-CG2 4.49Å; M22-V121 WeakPolarHBondContact CA-O 3.33Å; M22-V121 HydrophobicContact CG-CB 4.29Å; M22-M123 HydrophobicContact SD-CE 4.33Å
23V98.5Very high87.1Confident0 Ų036.2 Ų36.20%019%0.188CC..EExtended strand (participates in β ladder)trans-119.2110.6178.1-176.80000108.8V21 L60 Y62 A100 F120 V121 L122 M123V21-V23 HydrophobicContact CG1-CG2 3.84Å; V23-L60 HydrophobicContact CG1-CB 4.39Å; V23-L60 HydrophobicContact CG2-CB 4.26Å; V23-L60 HydrophobicContact CG2-CD1 4.44Å; V23-L60 HydrophobicContact CG2-CD2 4.42Å; V23-Y62 HydrophobicContact CG1-CD1 3.61Å; V23-Y62 HydrophobicContact CG1-CE1 3.73Å; V23-A100 HydrophobicContact CG1-CB 3.69Å; V23-F120 HydrophobicContact CB-CE1 4.34Å; V23-F120 HydrophobicContact CB-CZ 4.29Å; V23-F120 HydrophobicContact CG2-CE1 3.85Å; V23-F120 HydrophobicContact CG2-CE2 4.06Å; V23-F120 HydrophobicContact CG2-CZ 3.38Å; V23-V121 PolarHBondContact N-O 2.97Å; V23-L122 HydrophobicContact CB-CD1 4.07Å; V23-L122 HydrophobicContact CG1-CD1 4.01Å; V23-M123 PolarHBondContact O-N 3.37Å
24M98.2Very high89.3Confident0 Ų034.2 Ų34.20%017%0.174CC..EExtended strand (participates in β ladder)trans-110.2122.2-169.3-173.4-178.2-66.900112.7F34 Y37 K38 A41 L60 Q61 Y62 L88 M123M24-F34 HydrophobicContact CG-CE2 4.39Å; M24-F34 HydrophobicContact SD-CD2 4.39Å; M24-F34 HydrophobicContact SD-CE2 3.82Å; M24-Y37 WeakPolarHBondContact CE-O 3.42Å; M24-Y37 HydrophobicContact CG-CG 4.49Å; M24-K38 HydrophobicContact CE-CG 4.4Å; M24-K38 HydrophobicContact SD-CG 3.99Å; M24-A41 HydrophobicContact CE-CB 3.51Å; M24-L60 PolarHBondContact N-O 3.49Å; M24-Q61 CarbonylContact O-C 3.55Å; M24-Q61 WeakPolarHBondContact O-CA 3.49Å; M24-Y62 VanDerWaalsContact C-CD1 3.49Å; M24-Y62 VanDerWaalsContact C-CE1 3.5Å; M24-Y62 VanDerWaalsContact O-CD1 3.24Å; M24-Y62 WeakPolarHBondContact O-CD1 3.46Å; M24-Y62 PolarHBondContact O-N 2.87Å; M24-L88 HydrophobicContact CE-CD1 4.22Å; M24-L88 HydrophobicContact SD-CD1 3.71Å; M24-M123 HydrophobicContact CE-SD 3.8Å; M24-M123 HydrophobicContact CG-SD 4.34Å
25D96.8Very high91.2Very high0 Ų029.9 Ų29.90%016%0.162CC..EExtended strand (participates in β ladder)trans-68.7138.1172-165.43.1000111.2S27 V30 Y62 T95 M123D25-S27 VanDerWaalsContact CG-OG 3.29Å; D25-S27 WeakPolarHBondContact OD1-CB 3.24Å; D25-S27 PolarHBondContact OD1-N 2.97Å; D25-S27 PolarHBondContact OD1-OG 3.39Å; D25-S27 PolarHBondContact OD2-OG 3.46Å; D25-V30 HydrophobicContact CB-CG2 4.1Å; D25-Y62 VanDerWaalsContact CA-CE1 3.48Å; D25-Y62 HydrophobicContact CB-CE1 3.8Å; D25-Y62 HydrophobicContact CB-CE2 4.28Å; D25-Y62 VanDerWaalsContact N-CE1 3.3Å; D25-T95 WeakPolarHBondContact OD2-CG2 3.27Å; D25-M123 WeakPolarHBondContact CB-O 3.4Å; D25-M123 PolarHBondContact N-O 3.37Å
26S94.9Very high92.7Very high0 Ų029.2 Ų29.20%016%0.162CC..  trans-138.423.6176.263.70000111.9Q61 Y62 Y90 G92S26-Q61 VanDerWaalsContact OG-CG 3.23Å; S26-Q61 WeakPolarHBondContact OG-CG 3.23Å; S26-Q61 PolarHBondContact OG-NE2 3.37Å; S26-Y62 PolarHBondContact N-O 3.04Å; S26-Y62 PolarHBondContact OG-O 3.14Å; S26-Y90 VanDerWaalsContact O-CE2 3.26Å; S26-Y90 WeakPolarHBondContact O-CE2 3.35Å; S26-G92 WeakPolarHBondContact O-CA 3.48Å; S26-G92 PolarHBondContact O-N 3.4Å
27S91.1Very high93.8Very high0 Ų027.6 Ų27.60%015%0.15CC..SBendtrans-67.4173.7176.369.70000113.4D25 S29 V30 Y90 S93 T95D25-S27 VanDerWaalsContact CG-OG 3.29Å; D25-S27 WeakPolarHBondContact OD1-CB 3.24Å; D25-S27 PolarHBondContact OD1-N 2.97Å; D25-S27 PolarHBondContact OD1-OG 3.39Å; D25-S27 PolarHBondContact OD2-OG 3.46Å; S27-S29 VanDerWaalsContact C-N 3.3Å; S27-S29 PolarHBondContact O-N 2.98Å; S27-S29 PolarHBondContact OG-OG 3.24Å; S27-V30 WeakPolarHBondContact O-CG2 3.45Å; S27-V30 PolarHBondContact O-N 3.06Å; S27-Y90 VanDerWaalsContact O-CE2 3.3Å; S27-Y90 WeakPolarHBondContact O-CE2 3.34Å; S27-Y90 PolarHBondContact O-OH 3.2Å; S27-S93 WeakPolarHBondContact CA-O 3.42Å; S27-S93 WeakPolarHBondContact CB-O 3.35Å; S27-T95 WeakPolarHBondContact CB-OG1 3.5Å; S27-T95 PolarHBondContact OG-OG1 3.33Å
28G85.6Confident94.2Very high41 Ų4127.1 Ų27.142%0.42315%0.145SC..G310 helixtrans-55.4-4017600000114V30 E31 Y90 S93G28-V30 VanDerWaalsContact C-N 3.28Å; G28-V30 PolarHBondContact O-N 3.43Å; G28-E31 PolarHBondContact O-N 2.7Å; G28-Y90 VanDerWaalsContact CA-OH 3.25Å; G28-Y90 WeakPolarHBondContact CA-OH 3.36Å; G28-S93 PolarHBondContact N-O 3.07Å
29S86.4Confident94.2Very high55 Ų5533 Ų3339%0.38517%0.173SC..G310 helixtrans-74-19.6-173.156.70000113.6S27 D125S27-S29 VanDerWaalsContact C-N 3.3Å; S27-S29 PolarHBondContact O-N 2.98Å; S27-S29 PolarHBondContact OG-OG 3.24Å; S29-D125 WeakPolarHBondContact CB-OD2 3.29Å; S29-D125 PolarHBondContact OG-OD1 3.35Å; S29-D125 PolarHBondContact OG-OD2 3.39Å
30V88.5Confident94.2Very high0 Ų033.2 Ų33.20%017%0.174CC..G310 helixtrans-106.412.8-179.2-57.20000113.5D25 S27 G28 H32 K33 F34 Y37 D125D25-V30 HydrophobicContact CB-CG2 4.1Å; S27-V30 WeakPolarHBondContact O-CG2 3.45Å; S27-V30 PolarHBondContact O-N 3.06Å; G28-V30 VanDerWaalsContact C-N 3.28Å; G28-V30 PolarHBondContact O-N 3.43Å; V30-H32 VanDerWaalsContact C-N 3.26Å; V30-H32 PolarHBondContact O-N 3.33Å; V30-K33 CarbonylContact O-C 3.51Å; V30-K33 WeakPolarHBondContact O-CA 3.43Å; V30-K33 PolarHBondContact O-N 3.48Å; V30-F34 PolarHBondContact O-N 3.21Å; V30-Y37 HydrophobicContact CB-CE2 3.99Å; V30-Y37 HydrophobicContact CG1-CE2 3.97Å; V30-Y37 HydrophobicContact CG2-CE2 4.43Å; V30-D125 HydrophobicContact CG1-CB 3.83Å
31E90.5Very high94.1Very high113 Ų11333.2 Ų33.253%0.52817%0.174SC..G310 helixtrans-49.7-47.2-179.3-172.9176.1179.600112.1G28 K33 Y90G28-E31 PolarHBondContact O-N 2.7Å; E31-K33 VanDerWaalsContact C-N 3.28Å; E31-K33 PolarHBondContact O-N 3.06Å; E31-Y90 HydrophobicContact CB-CE1 4.37Å; E31-Y90 HydrophobicContact CB-CE2 4Å; E31-Y90 WeakPolarHBondContact CB-OH 3.19Å; E31-Y90 HydrophobicContact CG-CD1 4.48Å; E31-Y90 HydrophobicContact CG-CE1 3.9Å; E31-Y90 HydrophobicContact CG-CE2 4.18Å
32H91.4Very high93.9Very high150 Ų15034.3 Ų34.369%0.69418%0.181SC*.G310 helixtrans-76.5-9.6179.7-60-48.5000114.6V30V30-H32 VanDerWaalsContact C-N 3.26Å; V30-H32 PolarHBondContact O-N 3.33Å
33K93.6Very high93.5Very high39 Ų3939.1 Ų39.117%0.1720%0.199CC..G310 helixtrans-112.3-6.4179.3-63.1-60.6-175.5176.30113.4V30 E31 E35 T36 Y37 E176V30-K33 CarbonylContact O-C 3.51Å; V30-K33 WeakPolarHBondContact O-CA 3.43Å; V30-K33 PolarHBondContact O-N 3.48Å; E31-K33 VanDerWaalsContact C-N 3.28Å; E31-K33 PolarHBondContact O-N 3.06Å; K33-E35 PolarHBondContact O-N 3.07Å; K33-T36 CarbonylContact O-C 3.47Å; K33-T36 WeakPolarHBondContact O-CA 3.47Å; K33-T36 VanDerWaalsContact O-CB 3.31Å; K33-T36 WeakPolarHBondContact O-CB 3.33Å; K33-T36 PolarHBondContact O-N 3.32Å; K33-Y37 HydrophobicContact CB-CE2 4.47Å; K33-Y37 PolarHBondContact O-N 2.8Å; K33-E176 IonicContact NZ-OE1 2.87Å; K33-E176 PolarHBondContact NZ-OE1 3.42Å; K33-E176 IonicContact NZ-OE2 2.68Å
34F94.6Very high93.2Very high3 Ų339.1 Ų39.11%0.01320%0.199CC..Hα-helixtrans-60.2-42.7-176-179.1-113.5000112.6M24 V30 T36 Y37 K38 Q61 L88 Y90M24-F34 HydrophobicContact CG-CE2 4.39Å; M24-F34 HydrophobicContact SD-CD2 4.39Å; M24-F34 HydrophobicContact SD-CE2 3.82Å; V30-F34 PolarHBondContact O-N 3.21Å; F34-T36 VanDerWaalsContact C-N 3.32Å; F34-T36 PolarHBondContact O-N 3Å; F34-Y37 WeakPolarHBondContact O-CB 3.49Å; F34-Y37 PolarHBondContact O-N 2.89Å; F34-K38 HydrophobicContact CD1-CD 4.07Å; F34-K38 HydrophobicContact CE1-CD 3.54Å; F34-K38 HydrophobicContact CE1-CG 4.35Å; F34-K38 HydrophobicContact CZ-CD 3.83Å; F34-K38 HydrophobicContact CZ-CG 4.24Å; F34-K38 PolarHBondContact O-N 3.4Å; F34-Q61 VanDerWaalsContact CZ-NE2 3.26Å; F34-L88 HydrophobicContact CZ-CB 3.97Å; F34-Y90 HydrophobicContact CB-CD2 4.1Å; F34-Y90 HydrophobicContact CD1-CD2 4.07Å; F34-Y90 HydrophobicContact CD1-CG 4.48Å; F34-Y90 HydrophobicContact CD2-CD2 4.45Å; F34-Y90 AromaticContact CG-CD2 3.94Å; F34-Y90 HydrophobicContact CG-CD2 3.94Å
35E94.6Very high92.8Very high106 Ų10639.1 Ų39.150%0.49520%0.199SC..Hα-helixtrans-66.5-33.9174.6-68.1-58144.300111.9K33 Y37 K38 E39K33-E35 PolarHBondContact O-N 3.07Å; E35-Y37 VanDerWaalsContact C-N 3.34Å; E35-Y37 PolarHBondContact O-N 2.87Å; E35-K38 WeakPolarHBondContact O-CB 3.41Å; E35-K38 PolarHBondContact O-N 2.68Å; E35-K38 IonicContact OE1-NZ 3.26Å; E35-K38 PolarHBondContact OE1-NZ 2.84Å; E35-K38 IonicContact OE2-NZ 2.74Å; E35-K38 PolarHBondContact OE2-NZ 3.43Å; E35-K38 VanDerWaalsContact OE2-NZ 3.07Å; E35-E39 WeakPolarHBondContact O-CG 3.41Å; E35-E39 PolarHBondContact O-N 3.28Å
36T95Very high92.3Very high37 Ų3746.2 Ų46.223%0.22723%0.226CC..Hα-helixtrans-65.3-35.7173.4-47.50000112.1K33 F34 E39 T40 Y154K33-T36 CarbonylContact O-C 3.47Å; K33-T36 WeakPolarHBondContact O-CA 3.47Å; K33-T36 VanDerWaalsContact O-CB 3.31Å; K33-T36 WeakPolarHBondContact O-CB 3.33Å; K33-T36 PolarHBondContact O-N 3.32Å; F34-T36 VanDerWaalsContact C-N 3.32Å; F34-T36 PolarHBondContact O-N 3Å; T36-E39 PolarHBondContact O-N 3.12Å; T36-T40 WeakPolarHBondContact O-CB 3.36Å; T36-T40 PolarHBondContact O-N 3.18Å; T36-T40 PolarHBondContact O-OG1 2.78Å; T36-Y154 HydrophobicContact CG2-CD2 3.84Å; T36-Y154 HydrophobicContact CG2-CE2 3.69Å
37Y97.2Very high91.7Very high0 Ų048.8 Ų48.80%024%0.238CC..Hα-helixtrans-65.8-43.6170.5-73.6-46.8000112.1M24 V30 K33 F34 E35 E39 T40 A41 M123 T124 V152 Y154M24-Y37 WeakPolarHBondContact CE-O 3.42Å; M24-Y37 HydrophobicContact CG-CG 4.49Å; V30-Y37 HydrophobicContact CB-CE2 3.99Å; V30-Y37 HydrophobicContact CG1-CE2 3.97Å; V30-Y37 HydrophobicContact CG2-CE2 4.43Å; K33-Y37 HydrophobicContact CB-CE2 4.47Å; K33-Y37 PolarHBondContact O-N 2.8Å; F34-Y37 WeakPolarHBondContact O-CB 3.49Å; F34-Y37 PolarHBondContact O-N 2.89Å; E35-Y37 VanDerWaalsContact C-N 3.34Å; E35-Y37 PolarHBondContact O-N 2.87Å; Y37-E39 VanDerWaalsContact C-N 3.34Å; Y37-E39 PolarHBondContact O-N 3.04Å; Y37-T40 WeakPolarHBondContact O-CB 3.45Å; Y37-T40 PolarHBondContact O-N 3.21Å; Y37-A41 PolarHBondContact O-N 3.01Å; Y37-M123 HydrophobicContact CD1-CB 3.53Å; Y37-M123 HydrophobicContact CD1-CG 4.13Å; Y37-M123 HydrophobicContact CD1-SD 4.01Å; Y37-M123 HydrophobicContact CE1-CB 3.61Å; Y37-M123 HydrophobicContact CE1-CG 4.47Å; Y37-M123 HydrophobicContact CG-CB 4.1Å; Y37-M123 HydrophobicContact CG-SD 4.41Å; Y37-T124 WeakPolarHBondContact OH-CA 3.26Å; Y37-T124 PolarHBondContact OH-N 2.89Å; Y37-T124 PolarHBondContact OH-O 3.26Å; Y37-V152 HydrophobicContact CD1-CG1 4.34Å; Y37-V152 HydrophobicContact CE1-CB 4.49Å; Y37-V152 HydrophobicContact CE1-CG1 4.04Å; Y37-Y154 AromaticContact CD1-CD2 3.31Å; Y37-Y154 HydrophobicContact CD1-CD2 3.31Å; Y37-Y154 AromaticContact CD1-CE2 3.75Å; Y37-Y154 HydrophobicContact CD1-CE2 3.75Å; Y37-Y154 HydrophobicContact CD1-CG 4.2Å; Y37-Y154 AromaticContact CE1-CD2 3.23Å; Y37-Y154 HydrophobicContact CE1-CD2 3.23Å; Y37-Y154 AromaticContact CE1-CE2 3.96Å; Y37-Y154 HydrophobicContact CE1-CE2 3.96Å; Y37-Y154 AromaticContact CE1-CG 3.65Å; Y37-Y154 HydrophobicContact CE1-CG 3.65Å; Y37-Y154 HydrophobicContact CG-CD2 4.13Å; Y37-Y154 AromaticContact CZ-CD2 3.99Å; Y37-Y154 WeakPolarHBondContact OH-CA 3.49Å; Y37-Y154 PolarHBondContact OH-N 3.49Å; Y37-Y154 PolarHBondContact OH-O 3.24Å
38K96.3Very high91.5Very high23 Ų2348.9 Ų48.910%0.124%0.239CC..Hα-helixtrans-60.7-42.3174.1-74.5172.761-166.90112M24 F34 E35 T40 A41 T42 V85 A86 L88M24-K38 HydrophobicContact CE-CG 4.4Å; M24-K38 HydrophobicContact SD-CG 3.99Å; F34-K38 HydrophobicContact CD1-CD 4.07Å; F34-K38 HydrophobicContact CE1-CD 3.54Å; F34-K38 HydrophobicContact CE1-CG 4.35Å; F34-K38 HydrophobicContact CZ-CD 3.83Å; F34-K38 HydrophobicContact CZ-CG 4.24Å; F34-K38 PolarHBondContact O-N 3.4Å; E35-K38 WeakPolarHBondContact O-CB 3.41Å; E35-K38 PolarHBondContact O-N 2.68Å; E35-K38 IonicContact OE1-NZ 3.26Å; E35-K38 PolarHBondContact OE1-NZ 2.84Å; E35-K38 IonicContact OE2-NZ 2.74Å; E35-K38 PolarHBondContact OE2-NZ 3.43Å; E35-K38 VanDerWaalsContact OE2-NZ 3.07Å; K38-T40 VanDerWaalsContact C-N 3.33Å; K38-T40 PolarHBondContact O-N 2.98Å; K38-A41 PolarHBondContact O-N 3.27Å; K38-T42 WeakPolarHBondContact O-CB 3.06Å; K38-T42 PolarHBondContact O-N 3.38Å; K38-T42 PolarHBondContact O-OG1 3.18Å; K38-V85 HydrophobicContact CB-CG1 4.34Å; K38-V85 WeakPolarHBondContact CE-O 3.35Å; K38-A86 WeakPolarHBondContact CE-O 3.21Å; K38-A86 PolarHBondContact NZ-O 2.84Å; K38-L88 HydrophobicContact CD-CB 4.38Å
39E94.3Very high91.6Very high126 Ų12648.2 Ų48.259%0.58923%0.227SC*.Hα-helixtrans-60.9-42.9174.8-74.9174.2175.700111.6E35 T36 Y37 T42 R43E35-E39 WeakPolarHBondContact O-CG 3.41Å; E35-E39 PolarHBondContact O-N 3.28Å; T36-E39 PolarHBondContact O-N 3.12Å; Y37-E39 VanDerWaalsContact C-N 3.34Å; Y37-E39 PolarHBondContact O-N 3.04Å; E39-T42 PolarHBondContact O-N 2.93Å; E39-R43 WeakPolarHBondContact O-CB 3.37Å; E39-R43 PolarHBondContact O-N 3.04Å
40T95.6Very high91.7Very high4 Ų446.2 Ų46.23%0.02521%0.212CC..Hα-helixtrans-61.9-50.2176.3-60.80000111.2T36 Y37 K38 T42 R43 L44 M123 V152 Y154 V179 Y183T36-T40 WeakPolarHBondContact O-CB 3.36Å; T36-T40 PolarHBondContact O-N 3.18Å; T36-T40 PolarHBondContact O-OG1 2.78Å; Y37-T40 WeakPolarHBondContact O-CB 3.45Å; Y37-T40 PolarHBondContact O-N 3.21Å; K38-T40 VanDerWaalsContact C-N 3.33Å; K38-T40 PolarHBondContact O-N 2.98Å; T40-T42 PolarHBondContact O-N 3.01Å; T40-R43 PolarHBondContact O-N 3.06Å; T40-L44 WeakPolarHBondContact O-CG 3.43Å; T40-L44 PolarHBondContact O-N 2.88Å; T40-M123 HydrophobicContact CG2-CE 4.05Å; T40-V152 HydrophobicContact CG2-CG1 4.38Å; T40-V152 HydrophobicContact CG2-CG2 4.45Å; T40-Y154 WeakPolarHBondContact OG1-CE2 3.44Å; T40-Y154 PolarHBondContact OG1-OH 3.14Å; T40-Y154 VanDerWaalsContact OG1-OH 3.05Å; T40-V179 HydrophobicContact CG2-CG2 4.08Å; T40-Y183 WeakPolarHBondContact CA-OH 3.38Å; T40-Y183 HydrophobicContact CG2-CE1 4.19Å
41A96.5Very high91.7Very high0 Ų047.8 Ų47.80%022%0.223CC..Hα-helixtrans-61.8-43.1176.500000112.3M22 M24 Y37 K38 R43 L44 V45 V85 M123M22-A41 HydrophobicContact CE-CB 4.4Å; M22-A41 HydrophobicContact SD-CB 3.91Å; M24-A41 HydrophobicContact CE-CB 3.51Å; Y37-A41 PolarHBondContact O-N 3.01Å; K38-A41 PolarHBondContact O-N 3.27Å; A41-R43 VanDerWaalsContact C-N 3.29Å; A41-R43 PolarHBondContact O-N 3.45Å; A41-L44 WeakPolarHBondContact O-CB 3.47Å; A41-L44 PolarHBondContact O-N 3.4Å; A41-V45 VanDerWaalsContact O-CG2 3.29Å; A41-V45 WeakPolarHBondContact O-CG2 3.24Å; A41-V45 PolarHBondContact O-N 3.48Å; A41-V85 HydrophobicContact CB-CG1 3.8Å; A41-V85 HydrophobicContact CB-CG2 4.21Å; A41-M123 HydrophobicContact CB-CE 3.96Å; A41-M123 HydrophobicContact CB-SD 4.49Å
42T92.8Very high91.5Very high24 Ų2447.4 Ų47.415%0.14723%0.228CC..Hα-helixtrans-58.6-43.5175.9-63.40000110.7K38 E39 T40 V45 R46 D82 V85K38-T42 WeakPolarHBondContact O-CB 3.06Å; K38-T42 PolarHBondContact O-N 3.38Å; K38-T42 PolarHBondContact O-OG1 3.18Å; E39-T42 PolarHBondContact O-N 2.93Å; T40-T42 PolarHBondContact O-N 3.01Å; T42-V45 PolarHBondContact O-N 3.34Å; T42-R46 WeakPolarHBondContact O-CB 3.39Å; T42-R46 VanDerWaalsContact O-CG 3.27Å; T42-R46 WeakPolarHBondContact O-CG 3.29Å; T42-R46 PolarHBondContact O-N 3.42Å; T42-D82 WeakPolarHBondContact CG2-OD1 3.47Å; T42-V85 WeakPolarHBondContact OG1-CG1 3.15Å
43R91Very high91.1Very high101 Ų10146.3 Ų46.338%0.38123%0.227SC..Hα-helixtrans-65.5-44178.7-170.7163.2175.7-171.7-9.5111.6E39 T40 A41 R46 M47 E180 Y183E39-R43 WeakPolarHBondContact O-CB 3.37Å; E39-R43 PolarHBondContact O-N 3.04Å; T40-R43 PolarHBondContact O-N 3.06Å; A41-R43 VanDerWaalsContact C-N 3.29Å; A41-R43 PolarHBondContact O-N 3.45Å; R43-R46 PolarHBondContact O-N 2.8Å; R43-M47 HydrophobicContact CG-CE 3.77Å; R43-M47 HydrophobicContact CG-CG 4.48Å; R43-M47 HydrophobicContact CG-SD 3.91Å; R43-M47 WeakPolarHBondContact O-CE 3.36Å; R43-M47 WeakPolarHBondContact O-CG 3.35Å; R43-M47 PolarHBondContact O-N 3.5Å; R43-E180 IonicContact CZ-OE1 3.06Å; R43-E180 VanDerWaalsContact CZ-OE1 3.28Å; R43-E180 IonicContact CZ-OE2 2.69Å; R43-E180 IonicContact NH1-OE1 2.68Å; R43-E180 PolarHBondContact NH1-OE1 2.88Å; R43-E180 IonicContact NH1-OE2 3.15Å; R43-E180 IonicContact NH2-OE1 3.07Å; R43-E180 PolarHBondContact NH2-OE1 2.67Å; R43-E180 IonicContact NH2-OE2 3.39Å; R43-E180 PolarHBondContact NH2-OE2 3.25Å; R43-Y183 HydrophobicContact CB-CE1 4.35Å; R43-Y183 HydrophobicContact CG-CE1 4.33Å; R43-Y183 HydrophobicContact CG-CE2 4.2Å
44L91.3Very high90.9Very high0 Ų044.5 Ų44.50%022%0.219CC..Hα-helixtrans-54.1-53.9171.7-70.1175.6000111.4M22 T40 A41 R46 M47 L48 V121 M123 Y183 L186M22-L44 HydrophobicContact SD-CD1 4.06Å; T40-L44 WeakPolarHBondContact O-CG 3.43Å; T40-L44 PolarHBondContact O-N 2.88Å; A41-L44 WeakPolarHBondContact O-CB 3.47Å; A41-L44 PolarHBondContact O-N 3.4Å; L44-R46 PolarHBondContact O-N 3.42Å; L44-M47 HydrophobicContact CD2-CE 4.25Å; L44-M47 PolarHBondContact O-N 3.22Å; L44-M47 VanDerWaalsContact O-N 3.12Å; L44-L48 HydrophobicContact CB-CD1 4.47Å; L44-L48 VanDerWaalsContact O-CG 3.24Å; L44-L48 WeakPolarHBondContact O-CG 3.32Å; L44-L48 PolarHBondContact O-N 2.97Å; L44-V121 HydrophobicContact CD1-CG1 4.39Å; L44-V121 HydrophobicContact CD1-CG2 4.47Å; L44-M123 HydrophobicContact CD1-CE 4.17Å; L44-Y183 HydrophobicContact CD2-CD1 3.52Å; L44-Y183 HydrophobicContact CD2-CE1 3.79Å; L44-Y183 HydrophobicContact CG-CD1 4.2Å; L44-Y183 HydrophobicContact CG-CE1 3.95Å; L44-L186 HydrophobicContact CD1-CD1 4.38Å; L44-L186 HydrophobicContact CD2-CD1 3.49Å; L44-L186 VanDerWaalsContact CD2-CD1 3.49Å
45V90.1Very high90.8Very high0 Ų044.3 Ų44.30%022%0.219CC..Hα-helixtrans-54.1-40.5178.81680000111.9M22 A41 T42 I50 K78 V81 D82 V85M22-V45 HydrophobicContact CE-CG2 3.93Å; A41-V45 VanDerWaalsContact O-CG2 3.29Å; A41-V45 WeakPolarHBondContact O-CG2 3.24Å; A41-V45 PolarHBondContact O-N 3.48Å; T42-V45 PolarHBondContact O-N 3.34Å; V45-I50 HydrophobicContact CB-CD1 4.06Å; V45-I50 HydrophobicContact CG1-CD1 3.77Å; V45-I50 HydrophobicContact CG2-CD1 4.14Å; V45-K78 HydrophobicContact CG1-CG 4.16Å; V45-K78 WeakPolarHBondContact O-CE 3.15Å; V45-V81 HydrophobicContact CB-CG1 4.5Å; V45-V81 HydrophobicContact CG1-CB 4.05Å; V45-V81 HydrophobicContact CG1-CG1 4.09Å; V45-V81 HydrophobicContact CG2-CB 4.41Å; V45-V81 HydrophobicContact CG2-CG1 3.55Å; V45-D82 HydrophobicContact CG1-CB 3.94Å; V45-V85 HydrophobicContact CG2-CG2 4.29Å
46R86.9Confident90.9Very high149 Ų14940.5 Ų40.556%0.56220%0.201SC*.Hα-helixtrans-72.3-34.1-178.7-73.1174.2-175.7-171.70.5113.7T42 R43 L44 K78 D82T42-R46 WeakPolarHBondContact O-CB 3.39Å; T42-R46 VanDerWaalsContact O-CG 3.27Å; T42-R46 WeakPolarHBondContact O-CG 3.29Å; T42-R46 PolarHBondContact O-N 3.42Å; R43-R46 PolarHBondContact O-N 2.8Å; L44-R46 PolarHBondContact O-N 3.42Å; R46-K78 PolarHBondContact O-NZ 2.89Å; R46-D82 IonicContact CZ-OD1 3.59Å; R46-D82 IonicContact NE-OD1 2.91Å; R46-D82 PolarHBondContact NE-OD1 2.84Å; R46-D82 IonicContact NH2-OD1 2.68Å; R46-D82 PolarHBondContact NH2-OD1 3.24Å; R46-D82 IonicContact NH2-OD2 3.38Å; R46-D82 PolarHBondContact NH2-OD2 2.99Å
47M83.1Confident91Very high53 Ų5338.7 Ų38.726%0.26119%0.19SC..Hα-helixtrans-81.1-42.5-178.1-66.2178.8-51.400111.9R43 L44 Y183 M187R43-M47 HydrophobicContact CG-CE 3.77Å; R43-M47 HydrophobicContact CG-CG 4.48Å; R43-M47 HydrophobicContact CG-SD 3.91Å; R43-M47 WeakPolarHBondContact O-CE 3.36Å; R43-M47 WeakPolarHBondContact O-CG 3.35Å; R43-M47 PolarHBondContact O-N 3.5Å; L44-M47 HydrophobicContact CD2-CE 4.25Å; L44-M47 PolarHBondContact O-N 3.22Å; L44-M47 VanDerWaalsContact O-N 3.12Å; M47-Y183 VanDerWaalsContact CE-CB 3.42Å; M47-Y183 HydrophobicContact CE-CD1 3.29Å; M47-Y183 HydrophobicContact CE-CD2 4.14Å; M47-Y183 HydrophobicContact CE-CE1 4Å; M47-Y183 HydrophobicContact CE-CG 3.35Å; M47-Y183 HydrophobicContact SD-CG 4.2Å; M47-M187 HydrophobicContact CB-CG 4.22Å; M47-M187 HydrophobicContact CB-SD 3.71Å
48L86.8Confident91.1Very high2 Ų238.7 Ų38.71%0.0119%0.19CC..SBendtrans-71.1148.5-173.4-56.7174.2000112.2L20 L44 I50 K78 L186 T190L20-L48 HydrophobicContact CD2-CD1 3.52Å; L44-L48 HydrophobicContact CB-CD1 4.47Å; L44-L48 VanDerWaalsContact O-CG 3.24Å; L44-L48 WeakPolarHBondContact O-CG 3.32Å; L44-L48 PolarHBondContact O-N 2.97Å; L48-I50 HydrophobicContact CB-CG1 4.35Å; L48-I50 PolarHBondContact O-N 2.83Å; L48-K78 WeakPolarHBondContact O-CE 3.33Å; L48-K78 PolarHBondContact O-NZ 2.83Å; L48-L186 HydrophobicContact CD2-CB 3.78Å; L48-L186 WeakPolarHBondContact CD2-O 3.44Å; L48-T190 HydrophobicContact CD2-CG2 3.85Å; L48-T190 WeakPolarHBondContact CD2-OG1 3.28Å
49P86.8Confident91.2Very high27 Ų2737.6 Ų37.618%0.17519%0.185CC..  trans-77.270.2175.931.3-31.2000111E15 S51 T55 T190E15-P49 HydrophobicContact CG-CB 4.37Å; P49-S51 PolarHBondContact O-N 3.46Å; P49-T55 PolarHBondContact O-N 3.5Å; P49-T190 WeakPolarHBondContact CD-OG1 3.35Å; P49-T190 WeakPolarHBondContact CG-O 3.24Å
50I89.6Confident91.4Very high14 Ų1431.6 Ų31.67%0.07216%0.157CC..BIsolated β-bridgetrans-71114.8175.9-63.9173.2000109.4V45 L48 T55 V57 Q76 K78 V81V45-I50 HydrophobicContact CB-CD1 4.06Å; V45-I50 HydrophobicContact CG1-CD1 3.77Å; V45-I50 HydrophobicContact CG2-CD1 4.14Å; L48-I50 HydrophobicContact CB-CG1 4.35Å; L48-I50 PolarHBondContact O-N 2.83Å; I50-T55 WeakPolarHBondContact CA-O 3.48Å; I50-T55 HydrophobicContact CG1-CG2 4.33Å; I50-V57 HydrophobicContact CD1-CG2 3.63Å; I50-V57 HydrophobicContact CG1-CG2 3.98Å; I50-Q76 WeakPolarHBondContact CG2-O 3.5Å; I50-K78 HydrophobicContact CB-CB 4.39Å; I50-V81 HydrophobicContact CD1-CB 4.41Å; I50-V81 HydrophobicContact CD1-CG1 4.37Å; I50-V81 HydrophobicContact CG2-CG2 4.1Å
51S87.5Confident91.4Very high33 Ų3331.4 Ų31.423%0.23116%0.156CC..SBendtrans-160.6171.7-178.177.90000109.7E15 P49 D53 G54 T55 H56 Q76E15-S51 PolarHBondContact OE2-OG 2.99Å; P49-S51 PolarHBondContact O-N 3.46Å; S51-D53 PolarHBondContact O-N 2.94Å; S51-D53 PolarHBondContact OG-N 3.46Å; S51-G54 WeakPolarHBondContact OG-CA 3.46Å; S51-G54 PolarHBondContact OG-N 3.26Å; S51-T55 PolarHBondContact N-O 3.21Å; S51-H56 PolarHBondContact O-CD2 2.99Å; S51-H56 VanDerWaalsContact O-CD2 3.24Å; S51-H56 PolarHBondContact O-NE2 2.87Å; S51-Q76 WeakPolarHBondContact CA-O 3.44Å
52V86.2Confident91.4Very high105 Ų10531.4 Ų31.464%0.63616%0.156SC*.SBendtrans-62.1-32177.1177.90000112H56V52-H56 PolarHBondContact O-NE2 2.82Å
53D84.1Confident91.3Very high127 Ų12730.5 Ų30.568%0.67915%0.15SC*.SBendtrans-100.6-20.4-178.2-61.7-47.2000113S51S51-D53 PolarHBondContact O-N 2.94Å; S51-D53 PolarHBondContact OG-N 3.46Å
54G87.8Confident91.1Very high0 Ų027.7 Ų27.70%015%0.146CC..SBendtrans-94.3-119.9-177.400000112.9E15 P17 V18 S51 R113E15-G54 WeakPolarHBondContact OE2-CA 3.5Å; P17-G54 WeakPolarHBondContact CA-O 3.5Å; V18-G54 PolarHBondContact N-O 3.24Å; S51-G54 WeakPolarHBondContact OG-CA 3.46Å; S51-G54 PolarHBondContact OG-N 3.26Å; G54-R113 PolarHBondContact O-NH1 2.94Å; G54-R113 PolarHBondContact O-NH2 3.46Å
55T92.9Very high91Very high0 Ų034.2 Ų34.20%018%0.175CC..EExtended strand (participates in β ladder)trans-84124.4-178.4-53.80000112V18 L20 P49 I50 S51 V57V18-T55 HydrophobicContact CB-CG2 4.33Å; V18-T55 HydrophobicContact CG1-CG2 4.25Å; V18-T55 CarbonylContact O-C 3.56Å; V18-T55 VanDerWaalsContact O-CA 3.22Å; V18-T55 WeakPolarHBondContact O-CA 3.5Å; L20-T55 HydrophobicContact CB-CG2 4.07Å; P49-T55 PolarHBondContact O-N 3.5Å; I50-T55 WeakPolarHBondContact CA-O 3.48Å; I50-T55 HydrophobicContact CG1-CG2 4.33Å; S51-T55 PolarHBondContact N-O 3.21Å; T55-V57 HydrophobicContact CG2-CG2 4.24Å
56H96.4Very high91.3Very high25 Ų2535.8 Ų35.812%0.11619%0.185CC..EExtended strand (participates in β ladder)trans-98145165.5-71.5-164.7000109.5V18 L20 S51 V52 F72 Q76V18-H56 PolarHBondContact O-N 3.01Å; L20-H56 PolarHBondContact N-O 3.37Å; S51-H56 PolarHBondContact O-CD2 2.99Å; S51-H56 VanDerWaalsContact O-CD2 3.24Å; S51-H56 PolarHBondContact O-NE2 2.87Å; V52-H56 PolarHBondContact O-NE2 2.82Å; H56-F72 HydrophobicContact CB-CD1 3.75Å; H56-F72 HydrophobicContact CB-CE1 4.22Å; H56-Q76 HydrophobicContact CB-CG 4.28Å
57V97.7Very high91.8Very high0 Ų032.5 Ų32.50%018%0.175CC..EExtended strand (participates in β ladder)trans-123.6133.3-175.7-178.40000111L20 M22 I50 T55 F72 V81L20-V57 HydrophobicContact CB-CG2 4.41Å; L20-V57 HydrophobicContact CD2-CG2 4.34Å; L20-V57 CarbonylContact O-C 3.6Å; L20-V57 VanDerWaalsContact O-CA 3.31Å; L20-V57 WeakPolarHBondContact O-CA 3.37Å; M22-V57 HydrophobicContact CE-CG1 3.58Å; I50-V57 HydrophobicContact CD1-CG2 3.63Å; I50-V57 HydrophobicContact CG1-CG2 3.98Å; T55-V57 HydrophobicContact CG2-CG2 4.24Å; V57-F72 VanDerWaalsContact C-CD1 3.45Å; V57-F72 VanDerWaalsContact C-CE1 3.45Å; V57-V81 HydrophobicContact CB-CG1 3.94Å; V57-V81 HydrophobicContact CB-CG2 4.31Å; V57-V81 HydrophobicContact CG1-CG1 3.77Å; V57-V81 HydrophobicContact CG2-CG1 4.22Å
58A98.3Very high92.5Very high0 Ų032.7 Ų32.70%018%0.18CC..EExtended strand (participates in β ladder)trans-114137.4160.500000108.9L20 V21 M22 Y70 F72 Q107L20-A58 PolarHBondContact O-N 2.68Å; V21-A58 WeakPolarHBondContact CA-O 3.31Å; V21-A58 HydrophobicContact CG2-CB 4.26Å; M22-A58 PolarHBondContact N-O 2.81Å; A58-Y70 CarbonylContact C-O 3.52Å; A58-Y70 VanDerWaalsContact CA-O 3.28Å; A58-Y70 WeakPolarHBondContact CA-O 3.12Å; A58-F72 HydrophobicContact CB-CD1 3.95Å; A58-F72 HydrophobicContact CB-CD2 4.36Å; A58-F72 HydrophobicContact CB-CE1 3.69Å; A58-F72 HydrophobicContact CB-CE2 4.1Å; A58-F72 HydrophobicContact CB-CG 4.29Å; A58-F72 HydrophobicContact CB-CZ 3.77Å; A58-Q107 HydrophobicContact CB-CB 4.12Å; A58-Q107 HydrophobicContact CB-CG 4.16Å
59L98.5Very high93Very high0 Ų036.2 Ų36.20%020%0.195CC..EExtended strand (participates in β ladder)trans-124.8120.8-178.3177.263.9000109M22 K69 Y70 V85 L88M22-L59 HydrophobicContact CB-CD1 3.96Å; M22-L59 HydrophobicContact CE-CD1 4.37Å; M22-L59 WeakPolarHBondContact O-CA 3.43Å; L59-K69 HydrophobicContact CG-CB 4.43Å; L59-K69 WeakPolarHBondContact O-CA 3.43Å; L59-K69 PolarHBondContact O-N 2.67Å; L59-Y70 PolarHBondContact N-O 2.92Å; L59-Y70 PolarHBondContact O-N 2.06Å; L59-V85 HydrophobicContact CD2-CB 4.43Å; L59-V85 HydrophobicContact CD2-CG2 3.7Å; L59-L88 HydrophobicContact CD1-CD1 4.39Å; L59-L88 HydrophobicContact CD2-CD1 3.99Å; L59-L88 HydrophobicContact CD2-CD2 4.22Å; L59-L88 HydrophobicContact CD2-CG 4.25Å; L59-L88 HydrophobicContact CG-CD1 4.43Å
60L98.3Very high93.5Very high0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-113.3142.8172.4-66.473000108.6V21 M22 V23 M24 H67 V68 E103 Q107V21-L60 HydrophobicContact CG1-CD1 3.97Å; M22-L60 PolarHBondContact O-N 3.35Å; V23-L60 HydrophobicContact CG1-CB 4.39Å; V23-L60 HydrophobicContact CG2-CB 4.26Å; V23-L60 HydrophobicContact CG2-CD1 4.44Å; V23-L60 HydrophobicContact CG2-CD2 4.42Å; M24-L60 PolarHBondContact N-O 3.49Å; L60-H67 WeakPolarHBondContact CA-O 3.25Å; L60-V68 HydrophobicContact CD2-CG2 4.37Å; L60-V68 HydrophobicContact CG-CG2 4.18Å; L60-E103 HydrophobicContact CD2-CB 3.82Å; L60-E103 HydrophobicContact CD2-CG 3.6Å; L60-Q107 HydrophobicContact CD1-CG 3.83Å
61Q97.1Very high93.8Very high0 Ų036.4 Ų36.40%020%0.195CC..EExtended strand (participates in β ladder)trans-117.5140.2167.3179.1-178.635.800107.9M24 S26 F34 H67 K69 L88 P89 L91M24-Q61 CarbonylContact O-C 3.55Å; M24-Q61 WeakPolarHBondContact O-CA 3.49Å; S26-Q61 VanDerWaalsContact OG-CG 3.23Å; S26-Q61 WeakPolarHBondContact OG-CG 3.23Å; S26-Q61 PolarHBondContact OG-NE2 3.37Å; F34-Q61 VanDerWaalsContact CZ-NE2 3.26Å; Q61-H67 PolarHBondContact N-O 2.91Å; Q61-H67 WeakPolarHBondContact O-CB 3.49Å; Q61-H67 PolarHBondContact O-N 2.91Å; Q61-K69 HydrophobicContact CB-CG 3.87Å; Q61-L88 HydrophobicContact CB-CD2 4.3Å; Q61-P89 PolarHBondContact NE2-O 2.83Å; Q61-P89 PolarHBondContact OE1-O 2.84Å; Q61-L91 HydrophobicContact CG-CD1 3.96Å; Q61-L91 HydrophobicContact CG-CG 4.4Å
62Y95.6Very high94.2Very high0 Ų035.5 Ų35.50%019%0.187CC..EExtended strand (participates in β ladder)trans-137.6155.1177.674.3-80.3000113.3V23 M24 D25 S26 K65 T95 T97 A100 L122 T124V23-Y62 HydrophobicContact CG1-CD1 3.61Å; V23-Y62 HydrophobicContact CG1-CE1 3.73Å; M24-Y62 VanDerWaalsContact C-CD1 3.49Å; M24-Y62 VanDerWaalsContact C-CE1 3.5Å; M24-Y62 VanDerWaalsContact O-CD1 3.24Å; M24-Y62 WeakPolarHBondContact O-CD1 3.46Å; M24-Y62 PolarHBondContact O-N 2.87Å; D25-Y62 VanDerWaalsContact CA-CE1 3.48Å; D25-Y62 HydrophobicContact CB-CE1 3.8Å; D25-Y62 HydrophobicContact CB-CE2 4.28Å; D25-Y62 VanDerWaalsContact N-CE1 3.3Å; S26-Y62 PolarHBondContact N-O 3.04Å; S26-Y62 PolarHBondContact OG-O 3.14Å; Y62-K65 WeakPolarHBondContact CA-O 3.49Å; Y62-T95 HydrophobicContact CE2-CG2 3.78Å; Y62-T97 PolarHBondContact OH-OG1 3.19Å; Y62-A100 HydrophobicContact CD1-CB 3.56Å; Y62-A100 HydrophobicContact CD2-CB 3.69Å; Y62-A100 HydrophobicContact CE1-CB 4.07Å; Y62-A100 HydrophobicContact CE2-CB 4.19Å; Y62-A100 HydrophobicContact CG-CB 3.34Å; Y62-L122 HydrophobicContact CE1-CD1 4.29Å; Y62-T124 WeakPolarHBondContact OH-CB 3.36Å; Y62-T124 PolarHBondContact OH-OG1 2.9Å; Y62-T124 VanDerWaalsContact OH-OG1 3.12Å
63S91.2Very high94.6Very high5 Ų535.5 Ų35.54%0.03519%0.192CC..SBendtrans-141-98.4160.563.50000107.2K65 G92 T94 T95 L96S63-K65 PolarHBondContact N-O 3.49Å; S63-K65 PolarHBondContact O-N 2.9Å; S63-G92 VanDerWaalsContact CB-O 3.26Å; S63-G92 WeakPolarHBondContact CB-O 3.26Å; S63-G92 PolarHBondContact OG-O 3.01Å; S63-T94 CarbonylContact C-O 3.55Å; S63-T94 WeakPolarHBondContact CA-O 3.3Å; S63-T94 VanDerWaalsContact O-O 3.08Å; S63-T95 CarbonylContact O-C 3.42Å; S63-L96 PolarHBondContact O-N 2.7Å
64S86.1Confident95.1Very high42 Ų4233.4 Ų33.429%0.29418%0.18SC..SBendtrans-76.1-13.6174.259.70000113.2S93 T94 L96S64-S93 WeakPolarHBondContact CB-OG 3.07Å; S64-T94 PolarHBondContact N-O 2.86Å; S64-L96 WeakPolarHBondContact O-CD1 3.4Å
65K91Very high95.4Very high137 Ų13737.9 Ų37.960%0.59621%0.205SC*.SBendtrans-149.9151.9174.7-63-175-177.6177.90109.4Y62 S63 H67Y62-K65 WeakPolarHBondContact CA-O 3.49Å; S63-K65 PolarHBondContact N-O 3.49Å; S63-K65 PolarHBondContact O-N 2.9Å; K65-H67 PolarHBondContact O-CD2 2.75Å
66P96Very high95.4Very high32 Ų3238.4 Ų38.421%0.20821%0.207CC..EExtended strand (participates in β ladder)trans-76.4144.7168.531-33.2000111.9E99 A100 E103P66-E99 HydrophobicContact CG-CB 4.41Å; P66-A100 HydrophobicContact CB-CB 4.12Å; P66-E103 HydrophobicContact CB-CB 3.83Å; P66-E103 HydrophobicContact CB-CG 4Å; P66-E103 HydrophobicContact CG-CB 3.73Å; P66-E103 HydrophobicContact CG-CG 4.03Å
67H96.6Very high95.1Very high80 Ų8039.1 Ų39.137%0.3722%0.215SC..EExtended strand (participates in β ladder)trans-131.2116.4175.2-64-71.1000109L60 Q61 K65 K69L60-H67 WeakPolarHBondContact CA-O 3.25Å; Q61-H67 PolarHBondContact N-O 2.91Å; Q61-H67 WeakPolarHBondContact O-CB 3.49Å; Q61-H67 PolarHBondContact O-N 2.91Å; K65-H67 PolarHBondContact O-CD2 2.75Å; H67-K69 HydrophobicContact CB-CD 4.43Å; H67-K69 PolarHBondContact O-N 2.85Å
68V97.1Very high94.6Very high58 Ų5842.7 Ų42.735%0.35223%0.23SC..EExtended strand (participates in β ladder)trans-69.4116.8169.9-175.20000108.3L60 E103L60-V68 HydrophobicContact CD2-CG2 4.37Å; L60-V68 HydrophobicContact CG-CG2 4.18Å; V68-E103 HydrophobicContact CG2-CG 4.15Å
69K97.6Very high94.1Very high75 Ų7546.3 Ų46.333%0.32626%0.26SS..EExtended strand (participates in β ladder)trans-102-28.1-179.7-60.4-65.5-171.5172.50111.7L59 Q61 H67 L88L59-K69 HydrophobicContact CG-CB 4.43Å; L59-K69 WeakPolarHBondContact O-CA 3.43Å; L59-K69 PolarHBondContact O-N 2.67Å; Q61-K69 HydrophobicContact CB-CG 3.87Å; H67-K69 HydrophobicContact CB-CD 4.43Å; H67-K69 PolarHBondContact O-N 2.85Å; K69-L88 HydrophobicContact CB-CD2 3.79Å; K69-L88 HydrophobicContact CD-CD2 4.1Å; K69-L88 HydrophobicContact CG-CD2 3.51Å
70Y97.9Very high93.9Very high19 Ų1947.3 Ų47.38%0.07527%0.268CS..EExtended strand (participates in β ladder)trans-144132.2173.1-146.8-102.5000109.6A58 L59 L74 D75 A80 V81 A84A58-Y70 CarbonylContact C-O 3.52Å; A58-Y70 VanDerWaalsContact CA-O 3.28Å; A58-Y70 WeakPolarHBondContact CA-O 3.12Å; L59-Y70 PolarHBondContact N-O 2.92Å; L59-Y70 PolarHBondContact O-N 2.06Å; Y70-L74 HydrophobicContact CD1-CB 4.3Å; Y70-L74 HydrophobicContact CD1-CD1 4.4Å; Y70-L74 HydrophobicContact CD2-CB 4.47Å; Y70-L74 HydrophobicContact CD2-CD1 3.57Å; Y70-L74 HydrophobicContact CE1-CB 3.74Å; Y70-L74 HydrophobicContact CE1-CD1 4.49Å; Y70-L74 HydrophobicContact CE2-CB 3.94Å; Y70-L74 HydrophobicContact CE2-CD1 3.68Å; Y70-L74 HydrophobicContact CE2-CG 4.48Å; Y70-L74 HydrophobicContact CG-CD1 3.96Å; Y70-D75 PolarHBondContact OH-N 2.71Å; Y70-D75 PolarHBondContact OH-O 2.81Å; Y70-A80 WeakPolarHBondContact OH-CB 3.22Å; Y70-V81 HydrophobicContact CD1-CG2 4.31Å; Y70-V81 HydrophobicContact CE1-CG2 3.78Å; Y70-A84 HydrophobicContact CD2-CB 3.41Å; Y70-A84 VanDerWaalsContact CD2-CB 3.41Å; Y70-A84 HydrophobicContact CE2-CB 3.9Å; Y70-A84 HydrophobicContact CG-CB 4.09Å
71S96.7Very high93.8Very high27 Ų2747.3 Ų47.319%0.18927%0.268CS..  trans-114.4160.2176.758.20000110.9S73 L74 Q76S71-S73 PolarHBondContact O-N 3.23Å; S71-S73 PolarHBondContact OG-OG 3.24Å; S71-L74 WeakPolarHBondContact O-CB 3.11Å; S71-L74 PolarHBondContact O-N 2.81Å; S71-Q76 PolarHBondContact O-NE2 2.79Å
72F96Very high93.6Very high13 Ų1349 Ų496%0.05728%0.277CS..THydrogen-bonded Turntrans-57.7-23177.9-63.4-48.3000114D19 V21 H56 V57 A58 L74 Q76 Q107 Y108D19-F72 HydrophobicContact CB-CE1 4.14Å; D19-F72 HydrophobicContact CB-CE2 4.44Å; D19-F72 HydrophobicContact CB-CZ 3.83Å; V21-F72 HydrophobicContact CG2-CE2 4.17Å; V21-F72 HydrophobicContact CG2-CZ 3.67Å; H56-F72 HydrophobicContact CB-CD1 3.75Å; H56-F72 HydrophobicContact CB-CE1 4.22Å; V57-F72 VanDerWaalsContact C-CD1 3.45Å; V57-F72 VanDerWaalsContact C-CE1 3.45Å; A58-F72 HydrophobicContact CB-CD1 3.95Å; A58-F72 HydrophobicContact CB-CD2 4.36Å; A58-F72 HydrophobicContact CB-CE1 3.69Å; A58-F72 HydrophobicContact CB-CE2 4.1Å; A58-F72 HydrophobicContact CB-CG 4.29Å; A58-F72 HydrophobicContact CB-CZ 3.77Å; F72-L74 VanDerWaalsContact C-N 3.31Å; F72-L74 PolarHBondContact O-N 2.79Å; F72-Q76 PolarHBondContact O-NE2 2.91Å; F72-Q107 HydrophobicContact CD2-CB 4.45Å; F72-Q107 HydrophobicContact CE2-CB 4.05Å; F72-Y108 HydrophobicContact CE2-CD1 4.14Å; F72-Y108 HydrophobicContact CZ-CD1 4.3Å; F72-Y108 HydrophobicContact CZ-CE1 4.27Å
73S92.7Very high93.5Very high106 Ų10654.6 Ų54.674%0.74130%0.302SS*.THydrogen-bonded Turntrans-76.1-11177.755.70000115.3S71S71-S73 PolarHBondContact O-N 3.23Å; S71-S73 PolarHBondContact OG-OG 3.24Å
74L94.8Very high93.8Very high82 Ų8255.1 Ų55.143%0.42931%0.306SS..SBendtrans-84.2176.9178.1-61.2178.9000111.4Y70 S71 F72 Q76Y70-L74 HydrophobicContact CD1-CB 4.3Å; Y70-L74 HydrophobicContact CD1-CD1 4.4Å; Y70-L74 HydrophobicContact CD2-CB 4.47Å; Y70-L74 HydrophobicContact CD2-CD1 3.57Å; Y70-L74 HydrophobicContact CE1-CB 3.74Å; Y70-L74 HydrophobicContact CE1-CD1 4.49Å; Y70-L74 HydrophobicContact CE2-CB 3.94Å; Y70-L74 HydrophobicContact CE2-CD1 3.68Å; Y70-L74 HydrophobicContact CE2-CG 4.48Å; Y70-L74 HydrophobicContact CG-CD1 3.96Å; S71-L74 WeakPolarHBondContact O-CB 3.11Å; S71-L74 PolarHBondContact O-N 2.81Å; F72-L74 VanDerWaalsContact C-N 3.31Å; F72-L74 PolarHBondContact O-N 2.79Å; L74-Q76 WeakPolarHBondContact O-CG 3.33Å; L74-Q76 PolarHBondContact O-N 2.89Å; L74-Q76 VanDerWaalsContact O-N 3.08Å; L74-Q76 PolarHBondContact O-NE2 2.84Å
75D94Very high94.3Very high95 Ų9553.1 Ų53.151%0.50829%0.292SS..  trans-57.4109.8-179.5176.917.3000112.1Y70 S77 A80Y70-D75 PolarHBondContact OH-N 2.71Å; Y70-D75 PolarHBondContact OH-O 2.81Å; D75-S77 PolarHBondContact O-N 2.87Å; D75-S77 WeakPolarHBondContact OD1-CB 3.42Å; D75-S77 PolarHBondContact OD1-N 2.86Å; D75-S77 VanDerWaalsContact OD1-N 3.11Å; D75-S77 PolarHBondContact OD1-OG 3.05Å; D75-S77 PolarHBondContact OD2-OG 2.81Å; D75-A80 HydrophobicContact CB-CB 4.01Å; D75-A80 WeakPolarHBondContact OD2-CB 3.12Å
76Q94.3Very high94.5Very high10 Ų1049.2 Ų49.25%0.04729%0.285CS..  trans-84.340.8178.8-58.1-56.8-45.900111.9I50 S51 H56 S71 F72 L74I50-Q76 WeakPolarHBondContact CG2-O 3.5Å; S51-Q76 WeakPolarHBondContact CA-O 3.44Å; H56-Q76 HydrophobicContact CB-CG 4.28Å; S71-Q76 PolarHBondContact O-NE2 2.79Å; F72-Q76 PolarHBondContact O-NE2 2.91Å; L74-Q76 WeakPolarHBondContact O-CG 3.33Å; L74-Q76 PolarHBondContact O-N 2.89Å; L74-Q76 VanDerWaalsContact O-N 3.08Å; L74-Q76 PolarHBondContact O-NE2 2.84Å
77S89.2Confident94.5Very high40 Ų4053.9 Ų53.928%0.2830%0.304SS..  trans-90.1138.4168.477.30000110.3D75 A79 A80 V81D75-S77 PolarHBondContact O-N 2.87Å; D75-S77 WeakPolarHBondContact OD1-CB 3.42Å; D75-S77 PolarHBondContact OD1-N 2.86Å; D75-S77 VanDerWaalsContact OD1-N 3.11Å; D75-S77 PolarHBondContact OD1-OG 3.05Å; D75-S77 PolarHBondContact OD2-OG 2.81Å; S77-A79 PolarHBondContact O-N 2.86Å; S77-A79 VanDerWaalsContact O-N 3.12Å; S77-A80 PolarHBondContact O-N 3.19Å; S77-A80 VanDerWaalsContact OG-CB 3.31Å; S77-A80 WeakPolarHBondContact OG-CB 3.46Å; S77-A80 PolarHBondContact OG-N 2.84Å; S77-V81 PolarHBondContact O-N 2.68Å; S77-V81 VanDerWaalsContact O-N 3.11Å
78K88.2Confident94.4Very high76 Ų7650.4 Ų50.433%0.3329%0.289SS..Hα-helixtrans-51.5-38.9178.3-175.5169.9-71.9-168.50112.7V45 R46 L48 I50 D82V45-K78 HydrophobicContact CG1-CG 4.16Å; V45-K78 WeakPolarHBondContact O-CE 3.15Å; R46-K78 PolarHBondContact O-NZ 2.89Å; L48-K78 WeakPolarHBondContact O-CE 3.33Å; L48-K78 PolarHBondContact O-NZ 2.83Å; I50-K78 HydrophobicContact CB-CB 4.39Å; K78-D82 VanDerWaalsContact O-CB 3.24Å; K78-D82 WeakPolarHBondContact O-CB 3.44Å; K78-D82 PolarHBondContact O-N 2.96Å
79A87.2Confident94.3Very high75 Ų7551 Ų5162%0.6229%0.293SS*.Hα-helixtrans-66.8-38.7178.300000113.1S77 K83S77-A79 PolarHBondContact O-N 2.86Å; S77-A79 VanDerWaalsContact O-N 3.12Å; A79-K83 VanDerWaalsContact O-CB 3.31Å; A79-K83 WeakPolarHBondContact O-CB 3.41Å; A79-K83 PolarHBondContact O-N 3.44Å
80A95.2Very high94Very high21 Ų2151.1 Ų51.117%0.17429%0.292CS..Hα-helixtrans-69.2-41.9178.200000111.8Y70 D75 S77 K83 A84Y70-A80 WeakPolarHBondContact OH-CB 3.22Å; D75-A80 HydrophobicContact CB-CB 4.01Å; D75-A80 WeakPolarHBondContact OD2-CB 3.12Å; S77-A80 PolarHBondContact O-N 3.19Å; S77-A80 VanDerWaalsContact OG-CB 3.31Å; S77-A80 WeakPolarHBondContact OG-CB 3.46Å; S77-A80 PolarHBondContact OG-N 2.84Å; A80-K83 PolarHBondContact O-N 2.9Å; A80-A84 PolarHBondContact O-N 3.42Å
81V95.4Very high93.7Very high0 Ų053.3 Ų53.30%031%0.305CS..Hα-helixtrans-67.6-43.2176.5-1730000111.3V45 I50 V57 Y70 S77 K83 A84 V85V45-V81 HydrophobicContact CB-CG1 4.5Å; V45-V81 HydrophobicContact CG1-CB 4.05Å; V45-V81 HydrophobicContact CG1-CG1 4.09Å; V45-V81 HydrophobicContact CG2-CB 4.41Å; V45-V81 HydrophobicContact CG2-CG1 3.55Å; I50-V81 HydrophobicContact CD1-CB 4.41Å; I50-V81 HydrophobicContact CD1-CG1 4.37Å; I50-V81 HydrophobicContact CG2-CG2 4.1Å; V57-V81 HydrophobicContact CB-CG1 3.94Å; V57-V81 HydrophobicContact CB-CG2 4.31Å; V57-V81 HydrophobicContact CG1-CG1 3.77Å; V57-V81 HydrophobicContact CG2-CG1 4.22Å; Y70-V81 HydrophobicContact CD1-CG2 4.31Å; Y70-V81 HydrophobicContact CE1-CG2 3.78Å; S77-V81 PolarHBondContact O-N 2.68Å; S77-V81 VanDerWaalsContact O-N 3.11Å; V81-K83 VanDerWaalsContact C-N 3.29Å; V81-K83 PolarHBondContact O-N 2.93Å; V81-A84 WeakPolarHBondContact O-CB 3.5Å; V81-A84 PolarHBondContact O-N 2.92Å; V81-A84 VanDerWaalsContact O-N 3.14Å; V81-V85 PolarHBondContact O-N 2.99Å
82D92.2Very high92.9Very high36 Ų3652.6 Ų52.619%0.19330%0.302CS..Hα-helixtrans-58.9-43.2176.8-170.186.9000110.5T42 V45 R46 K78 V85 A86T42-D82 WeakPolarHBondContact CG2-OD1 3.47Å; V45-D82 HydrophobicContact CG1-CB 3.94Å; R46-D82 IonicContact CZ-OD1 3.59Å; R46-D82 IonicContact NE-OD1 2.91Å; R46-D82 PolarHBondContact NE-OD1 2.84Å; R46-D82 IonicContact NH2-OD1 2.68Å; R46-D82 PolarHBondContact NH2-OD1 3.24Å; R46-D82 IonicContact NH2-OD2 3.38Å; R46-D82 PolarHBondContact NH2-OD2 2.99Å; K78-D82 VanDerWaalsContact O-CB 3.24Å; K78-D82 WeakPolarHBondContact O-CB 3.44Å; K78-D82 PolarHBondContact O-N 2.96Å; D82-V85 PolarHBondContact O-N 3.19Å; D82-A86 WeakPolarHBondContact O-CB 3.31Å; D82-A86 PolarHBondContact O-N 2.81Å
83K94Very high92.3Very high118 Ų11855.2 Ų55.251%0.51332%0.322SS..Hα-helixtrans-62.2-44.7174.2-176-179.5175.7-174.80112.3A79 A80 V81 V85 A86 E87A79-K83 VanDerWaalsContact O-CB 3.31Å; A79-K83 WeakPolarHBondContact O-CB 3.41Å; A79-K83 PolarHBondContact O-N 3.44Å; A80-K83 PolarHBondContact O-N 2.9Å; V81-K83 VanDerWaalsContact C-N 3.29Å; V81-K83 PolarHBondContact O-N 2.93Å; K83-V85 VanDerWaalsContact C-N 3.29Å; K83-V85 PolarHBondContact O-N 2.99Å; K83-A86 PolarHBondContact O-N 2.78Å; K83-E87 WeakPolarHBondContact CE-OE1 3.48Å; K83-E87 WeakPolarHBondContact CE-OE2 3.42Å; K83-E87 HydrophobicContact CG-CG 4.26Å; K83-E87 IonicContact NZ-OE1 3.71Å; K83-E87 WeakPolarHBondContact O-CB 3.29Å; K83-E87 WeakPolarHBondContact O-CG 3.47Å; K83-E87 PolarHBondContact O-N 3.36Å
84A97.2Very high91.7Very high16 Ų1652.9 Ų52.913%0.13230%0.303CS..Hα-helixtrans-61-37.4179.200000112.5Y70 A80 V81Y70-A84 HydrophobicContact CD2-CB 3.41Å; Y70-A84 VanDerWaalsContact CD2-CB 3.41Å; Y70-A84 HydrophobicContact CE2-CB 3.9Å; Y70-A84 HydrophobicContact CG-CB 4.09Å; A80-A84 PolarHBondContact O-N 3.42Å; V81-A84 WeakPolarHBondContact O-CB 3.5Å; V81-A84 PolarHBondContact O-N 2.92Å; V81-A84 VanDerWaalsContact O-N 3.14Å
85V97.1Very high91.1Very high0 Ų049.1 Ų49.10%028%0.284CS..Hα-helixtrans-67.9-47.1173175.90000111M22 K38 A41 T42 V45 L59 V81 D82 K83 E87 L88M22-V85 HydrophobicContact CE-CG2 4.49Å; K38-V85 HydrophobicContact CB-CG1 4.34Å; K38-V85 WeakPolarHBondContact CE-O 3.35Å; A41-V85 HydrophobicContact CB-CG1 3.8Å; A41-V85 HydrophobicContact CB-CG2 4.21Å; T42-V85 WeakPolarHBondContact OG1-CG1 3.15Å; V45-V85 HydrophobicContact CG2-CG2 4.29Å; L59-V85 HydrophobicContact CD2-CB 4.43Å; L59-V85 HydrophobicContact CD2-CG2 3.7Å; V81-V85 PolarHBondContact O-N 2.99Å; D82-V85 PolarHBondContact O-N 3.19Å; K83-V85 VanDerWaalsContact C-N 3.29Å; K83-V85 PolarHBondContact O-N 2.99Å; V85-E87 VanDerWaalsContact C-N 3.28Å; V85-E87 PolarHBondContact O-N 3.21Å; V85-L88 WeakPolarHBondContact O-CB 3.49Å; V85-L88 WeakPolarHBondContact O-CG 3.46Å; V85-L88 PolarHBondContact O-N 3.38Å
86A94.7Very high90.8Very high54 Ų5446.5 Ų46.545%0.44627%0.269SS..Hα-helixtrans-61.6-36.2-177.100000112.9K38 D82 K83 L88K38-A86 WeakPolarHBondContact CE-O 3.21Å; K38-A86 PolarHBondContact NZ-O 2.84Å; D82-A86 WeakPolarHBondContact O-CB 3.31Å; D82-A86 PolarHBondContact O-N 2.81Å; K83-A86 PolarHBondContact O-N 2.78Å; A86-L88 VanDerWaalsContact C-N 3.32Å; A86-L88 PolarHBondContact O-N 2.83Å
87E95.7Very high90.8Very high130 Ų13046 Ų4661%0.60727%0.267SS*.THydrogen-bonded Turntrans-83.1-0.3-178-69.1-178.3163.800114.2K83 V85 P89K83-E87 WeakPolarHBondContact CE-OE1 3.48Å; K83-E87 WeakPolarHBondContact CE-OE2 3.42Å; K83-E87 HydrophobicContact CG-CG 4.26Å; K83-E87 IonicContact NZ-OE1 3.71Å; K83-E87 WeakPolarHBondContact O-CB 3.29Å; K83-E87 WeakPolarHBondContact O-CG 3.47Å; K83-E87 PolarHBondContact O-N 3.36Å; V85-E87 VanDerWaalsContact C-N 3.28Å; V85-E87 PolarHBondContact O-N 3.21Å; E87-P89 VanDerWaalsContact O-CD 3.26Å; E87-P89 WeakPolarHBondContact O-CD 3.24Å
88L95.8Very high91Very high8 Ų844.3 Ų44.34%0.04226%0.255CS..PPolyproline II helixtrans-60.8119.1176.5-70.6-177.7000111M24 F34 K38 L59 Q61 K69 V85 A86M24-L88 HydrophobicContact CE-CD1 4.22Å; M24-L88 HydrophobicContact SD-CD1 3.71Å; F34-L88 HydrophobicContact CZ-CB 3.97Å; K38-L88 HydrophobicContact CD-CB 4.38Å; L59-L88 HydrophobicContact CD1-CD1 4.39Å; L59-L88 HydrophobicContact CD2-CD1 3.99Å; L59-L88 HydrophobicContact CD2-CD2 4.22Å; L59-L88 HydrophobicContact CD2-CG 4.25Å; L59-L88 HydrophobicContact CG-CD1 4.43Å; Q61-L88 HydrophobicContact CB-CD2 4.3Å; K69-L88 HydrophobicContact CB-CD2 3.79Å; K69-L88 HydrophobicContact CD-CD2 4.1Å; K69-L88 HydrophobicContact CG-CD2 3.51Å; V85-L88 WeakPolarHBondContact O-CB 3.49Å; V85-L88 WeakPolarHBondContact O-CG 3.46Å; V85-L88 PolarHBondContact O-N 3.38Å; A86-L88 VanDerWaalsContact C-N 3.32Å; A86-L88 PolarHBondContact O-N 2.83Å
89P93.6Very high91.4Very high69 Ų6944.1 Ų44.145%0.44826%0.256SS..PPolyproline II helixtrans-81.8142.5174.633.2-32.4000109.7Q61 E87 L91Q61-P89 PolarHBondContact NE2-O 2.83Å; Q61-P89 PolarHBondContact OE1-O 2.84Å; E87-P89 VanDerWaalsContact O-CD 3.26Å; E87-P89 WeakPolarHBondContact O-CD 3.24Å; P89-L91 HydrophobicContact CG-CD2 4.27Å; P89-L91 PolarHBondContact O-N 2.86Å
90Y93.1Very high91.9Very high78 Ų7840.6 Ų40.631%0.30623%0.226SC..PPolyproline II helixtrans-61.6128.6167177.3-107.7000110.1S26 S27 G28 E31 F34 G92S26-Y90 VanDerWaalsContact O-CE2 3.26Å; S26-Y90 WeakPolarHBondContact O-CE2 3.35Å; S27-Y90 VanDerWaalsContact O-CE2 3.3Å; S27-Y90 WeakPolarHBondContact O-CE2 3.34Å; S27-Y90 PolarHBondContact O-OH 3.2Å; G28-Y90 VanDerWaalsContact CA-OH 3.25Å; G28-Y90 WeakPolarHBondContact CA-OH 3.36Å; E31-Y90 HydrophobicContact CB-CE1 4.37Å; E31-Y90 HydrophobicContact CB-CE2 4Å; E31-Y90 WeakPolarHBondContact CB-OH 3.19Å; E31-Y90 HydrophobicContact CG-CD1 4.48Å; E31-Y90 HydrophobicContact CG-CE1 3.9Å; E31-Y90 HydrophobicContact CG-CE2 4.18Å; F34-Y90 HydrophobicContact CB-CD2 4.1Å; F34-Y90 HydrophobicContact CD1-CD2 4.07Å; F34-Y90 HydrophobicContact CD1-CG 4.48Å; F34-Y90 HydrophobicContact CD2-CD2 4.45Å; F34-Y90 AromaticContact CG-CD2 3.94Å; F34-Y90 HydrophobicContact CG-CD2 3.94Å; Y90-G92 WeakPolarHBondContact OH-CA 3.48Å
91L90.1Very high92Very high65 Ų6539.6 Ų39.634%0.3422%0.218SC..  trans-92.8-43-177.8-61-177.9000112.2Q61 P89Q61-L91 HydrophobicContact CG-CD1 3.96Å; Q61-L91 HydrophobicContact CG-CG 4.4Å; P89-L91 HydrophobicContact CG-CD2 4.27Å; P89-L91 PolarHBondContact O-N 2.86Å
92G80.5Confident92.2Very high13 Ų1341.7 Ų41.713%0.13423%0.233CC..  trans63.9175.8-165.400000112.2S26 S63 Y90S26-G92 WeakPolarHBondContact O-CA 3.48Å; S26-G92 PolarHBondContact O-N 3.4Å; S63-G92 VanDerWaalsContact CB-O 3.26Å; S63-G92 WeakPolarHBondContact CB-O 3.26Å; S63-G92 PolarHBondContact OG-O 3.01Å; Y90-G92 WeakPolarHBondContact OH-CA 3.48Å
93S83.5Confident92.4Very high67 Ų6743.2 Ų43.247%0.46924%0.239SC..SBendtrans106.1178.3-173.7-163.50000113.6S27 G28 S64S27-S93 WeakPolarHBondContact CA-O 3.42Å; S27-S93 WeakPolarHBondContact CB-O 3.35Å; G28-S93 PolarHBondContact N-O 3.07Å; S64-S93 WeakPolarHBondContact CB-OG 3.07Å
94T80.1Confident92.6Very high57 Ų5737.6 Ų37.635%0.3522%0.215SC..  trans-56.5167.6169.357.90000112.5S63 S64 Y129S63-T94 CarbonylContact C-O 3.55Å; S63-T94 WeakPolarHBondContact CA-O 3.3Å; S63-T94 VanDerWaalsContact O-O 3.08Å; S64-T94 PolarHBondContact N-O 2.86Å; T94-Y129 HydrophobicContact CG2-CD1 4.3Å; T94-Y129 HydrophobicContact CG2-CD2 4.38Å; T94-Y129 HydrophobicContact CG2-CE1 4.25Å; T94-Y129 HydrophobicContact CG2-CE2 4.32Å; T94-Y129 HydrophobicContact CG2-CG 4.36Å
95T82.3Confident92.7Very high3 Ų337.6 Ų37.62%0.01821%0.212CC..  trans-114.5118.4-173.5-44.50000110.7D25 S27 Y62 S63 S128 Y129D25-T95 WeakPolarHBondContact OD2-CG2 3.27Å; S27-T95 WeakPolarHBondContact CB-OG1 3.5Å; S27-T95 PolarHBondContact OG-OG1 3.33Å; Y62-T95 HydrophobicContact CE2-CG2 3.78Å; S63-T95 CarbonylContact O-C 3.42Å; T95-S128 CarbonylContact O-C 3.59Å; T95-S128 WeakPolarHBondContact O-CA 2.91Å; T95-Y129 PolarHBondContact O-N 3.26Å
96L87.1Confident92.7Very high40 Ų4040.8 Ų40.821%0.20923%0.227CC..  trans-118.478.5176-74.5-163.3000110.5S63 S64 E99 A100 N130S63-L96 PolarHBondContact O-N 2.7Å; S64-L96 WeakPolarHBondContact O-CD1 3.4Å; L96-E99 WeakPolarHBondContact CB-OE2 3.43Å; L96-A100 PolarHBondContact O-N 3.43Å; L96-N130 WeakPolarHBondContact CA-OD1 3.46Å
97T93.6Very high92.8Very high0 Ų038.6 Ų38.60%021%0.208CC..Hα-helixtrans-67.4-40.6-175.7-51.50000112.2Y62 E99 A100 V101 L122 S128 N130 E162 Y166Y62-T97 PolarHBondContact OH-OG1 3.19Å; T97-E99 PolarHBondContact O-N 2.85Å; T97-A100 PolarHBondContact O-N 2.77Å; T97-A100 VanDerWaalsContact O-N 3.1Å; T97-V101 HydrophobicContact CG2-CG2 4.21Å; T97-V101 WeakPolarHBondContact O-CG2 3.26Å; T97-V101 PolarHBondContact O-N 2.9Å; T97-L122 HydrophobicContact CG2-CD1 4.14Å; T97-L122 HydrophobicContact CG2-CD2 3.95Å; T97-S128 WeakPolarHBondContact OG1-CB 3.43Å; T97-N130 PolarHBondContact N-OD1 2.96Å; T97-E162 WeakPolarHBondContact CB-OE1 3.4Å; T97-E162 PolarHBondContact OG1-OE1 3.32Å; T97-Y166 HydrophobicContact CG2-CD2 4.34Å; T97-Y166 HydrophobicContact CG2-CE2 3.57Å
98A94.8Very high92.9Very high4 Ų433.1 Ų33.13%0.03318%0.182CC..Hα-helixtrans-64.7-38.6-174.700000112.7S102 N130 D134 A138 Y166A98-S102 WeakPolarHBondContact O-CB 3.38Å; A98-S102 PolarHBondContact O-N 3.41Å; A98-S102 PolarHBondContact O-OG 2.96Å; A98-N130 HydrophobicContact CB-CB 4.32Å; A98-N130 PolarHBondContact N-OD1 2.97Å; A98-D134 HydrophobicContact CB-CB 4.23Å; A98-A138 HydrophobicContact CB-CB 3.81Å; A98-Y166 WeakPolarHBondContact CA-OH 3.41Å
99E96.4Very high92.8Very high73 Ų7340.2 Ų40.234%0.34121%0.212SC..Hα-helixtrans-66.8-40.2173.2-68.381.7171.200110.7P66 L96 T97 S102 E103 N130P66-E99 HydrophobicContact CG-CB 4.41Å; L96-E99 WeakPolarHBondContact CB-OE2 3.43Å; T97-E99 PolarHBondContact O-N 2.85Å; E99-S102 PolarHBondContact O-N 2.88Å; E99-E103 WeakPolarHBondContact O-CB 3.12Å; E99-E103 PolarHBondContact O-N 3.26Å; E99-N130 PolarHBondContact OE1-ND2 3.03Å; E99-N130 PolarHBondContact OE2-ND2 3.32Å
100A97.4Very high92.9Very high0 Ų042.8 Ų42.80%022%0.221CC..Hα-helixtrans-67.3-39.8177.800000113V23 Y62 P66 L96 T97 S102 E103 G104V23-A100 HydrophobicContact CG1-CB 3.69Å; Y62-A100 HydrophobicContact CD1-CB 3.56Å; Y62-A100 HydrophobicContact CD2-CB 3.69Å; Y62-A100 HydrophobicContact CE1-CB 4.07Å; Y62-A100 HydrophobicContact CE2-CB 4.19Å; Y62-A100 HydrophobicContact CG-CB 3.34Å; P66-A100 HydrophobicContact CB-CB 4.12Å; L96-A100 PolarHBondContact O-N 3.43Å; T97-A100 PolarHBondContact O-N 2.77Å; T97-A100 VanDerWaalsContact O-N 3.1Å; A100-S102 VanDerWaalsContact C-N 3.34Å; A100-E103 PolarHBondContact O-N 3.3Å; A100-G104 PolarHBondContact O-N 3.16Å
101V98.3Very high92.9Very high0 Ų040.7 Ų40.70%022%0.224CC..Hα-helixtrans-61.5-45.8171.4170.40000110.2T97 E103 G104 L105 F120 L122 A138 L142 Y166T97-V101 HydrophobicContact CG2-CG2 4.21Å; T97-V101 WeakPolarHBondContact O-CG2 3.26Å; T97-V101 PolarHBondContact O-N 2.9Å; V101-E103 PolarHBondContact O-N 2.97Å; V101-G104 PolarHBondContact O-N 3.34Å; V101-L105 HydrophobicContact CG1-CD1 4.17Å; V101-L105 VanDerWaalsContact O-CG 3.3Å; V101-L105 WeakPolarHBondContact O-CG 3.47Å; V101-L105 PolarHBondContact O-N 3.39Å; V101-F120 HydrophobicContact CG1-CZ 4.44Å; V101-F120 HydrophobicContact CG2-CE1 4.41Å; V101-L122 HydrophobicContact CG2-CD1 4.15Å; V101-L122 HydrophobicContact CG2-CD2 4.02Å; V101-A138 HydrophobicContact CB-CB 4.34Å; V101-A138 HydrophobicContact CG1-CB 4.22Å; V101-L142 HydrophobicContact CG1-CB 4.01Å; V101-L142 HydrophobicContact CG1-CD2 4.1Å; V101-L142 HydrophobicContact CG1-CG 4.46Å; V101-Y166 HydrophobicContact CB-CE1 4.23Å; V101-Y166 HydrophobicContact CG1-CE1 4.16Å; V101-Y166 HydrophobicContact CG2-CD1 4.15Å; V101-Y166 HydrophobicContact CG2-CE1 3.72Å
102S97.8Very high93Very high45 Ų4538.7 Ų38.732%0.31522%0.219SC..Hα-helixtrans-62.1-42.2178.4-61.50000112.8A98 E99 A100 L105 E106A98-S102 WeakPolarHBondContact O-CB 3.38Å; A98-S102 PolarHBondContact O-N 3.41Å; A98-S102 PolarHBondContact O-OG 2.96Å; E99-S102 PolarHBondContact O-N 2.88Å; A100-S102 VanDerWaalsContact C-N 3.34Å; S102-L105 PolarHBondContact O-N 3.36Å; S102-E106 PolarHBondContact O-N 3.03Å; S102-E106 VanDerWaalsContact O-N 3.1Å
103E98Very high93.7Very high68 Ų6839.6 Ų39.632%0.31822%0.218SC..Hα-helixtrans-68.4-35.9177-17362.8-154.700112L60 P66 V68 E99 A100 V101 E106 Q107L60-E103 HydrophobicContact CD2-CB 3.82Å; L60-E103 HydrophobicContact CD2-CG 3.6Å; P66-E103 HydrophobicContact CB-CB 3.83Å; P66-E103 HydrophobicContact CB-CG 4Å; P66-E103 HydrophobicContact CG-CB 3.73Å; P66-E103 HydrophobicContact CG-CG 4.03Å; V68-E103 HydrophobicContact CG2-CG 4.15Å; E99-E103 WeakPolarHBondContact O-CB 3.12Å; E99-E103 PolarHBondContact O-N 3.26Å; A100-E103 PolarHBondContact O-N 3.3Å; V101-E103 PolarHBondContact O-N 2.97Å; E103-E106 WeakPolarHBondContact O-CB 3.47Å; E103-E106 PolarHBondContact O-N 3.03Å; E103-Q107 PolarHBondContact O-N 2.87Å; E103-Q107 PolarHBondContact O-NE2 2.97Å; E103-Q107 PolarHBondContact OE1-NE2 3.41Å
104G98.1Very high94Very high0 Ų042.6 Ų42.60%024%0.236CC..Hα-helixtrans-63.2-43.6173.100000111.7A100 V101 E106 Q107A100-G104 PolarHBondContact O-N 3.16Å; V101-G104 PolarHBondContact O-N 3.34Å; G104-E106 PolarHBondContact O-N 3.47Å; G104-Q107 WeakPolarHBondContact O-CB 3.19Å; G104-Q107 PolarHBondContact O-N 3.1Å; G104-Q107 VanDerWaalsContact O-N 3.13Å
105L97.9Very high94.4Very high16 Ų1645.8 Ų45.88%0.08425%0.247CC..Hα-helixtrans-62.1-32.6175.2-70.7171.5000112.6V101 S102 Q107 Y108 F120 K141 L142 I145V101-L105 HydrophobicContact CG1-CD1 4.17Å; V101-L105 VanDerWaalsContact O-CG 3.3Å; V101-L105 WeakPolarHBondContact O-CG 3.47Å; V101-L105 PolarHBondContact O-N 3.39Å; S102-L105 PolarHBondContact O-N 3.36Å; L105-Q107 VanDerWaalsContact C-N 3.28Å; L105-Q107 PolarHBondContact O-N 2.72Å; L105-Y108 HydrophobicContact CD2-CD2 4.44Å; L105-Y108 PolarHBondContact O-N 3.39Å; L105-F120 HydrophobicContact CG-CE2 4.49Å; L105-K141 HydrophobicContact CD1-CB 3.85Å; L105-L142 HydrophobicContact CD1-CB 4.25Å; L105-L142 HydrophobicContact CD2-CD1 3.79Å; L105-L142 HydrophobicContact CG-CD1 4.43Å; L105-I145 HydrophobicContact CD2-CD1 3.31Å; L105-I145 HydrophobicContact CD2-CG1 3.89Å
106E97.5Very high94.9Very high66 Ų6646 Ų4631%0.30825%0.249SC..Hα-helixtrans-66.6-29.7176.5-166.361.3-167.300112.3S102 E103 G104 Y108 K109 L110S102-E106 PolarHBondContact O-N 3.03Å; S102-E106 VanDerWaalsContact O-N 3.1Å; E103-E106 WeakPolarHBondContact O-CB 3.47Å; E103-E106 PolarHBondContact O-N 3.03Å; G104-E106 PolarHBondContact O-N 3.47Å; E106-Y108 VanDerWaalsContact C-N 3.26Å; E106-Y108 PolarHBondContact O-N 3.19Å; E106-K109 WeakPolarHBondContact O-CB 3.46Å; E106-K109 PolarHBondContact O-N 3.5Å; E106-K109 WeakPolarHBondContact OE2-CD 3.37Å; E106-K109 WeakPolarHBondContact OE2-CE 3.32Å; E106-K109 IonicContact OE2-NZ 3.29Å; E106-K109 PolarHBondContact OE2-NZ 3.33Å; E106-L110 HydrophobicContact CG-CD1 4.06Å; E106-L110 HydrophobicContact CG-CG 4.23Å; E106-L110 WeakPolarHBondContact O-CG 3.49Å; E106-L110 PolarHBondContact O-N 3.37Å
107Q97.7Very high95.2Very high9 Ų948.8 Ų48.84%0.04226%0.26CS..Hα-helixtrans-60.1-36.3177.3-58.2-46.6-64.900112.4V21 A58 L60 F72 E103 G104 L105 K109 L110 G111 G112V21-Q107 HydrophobicContact CG2-CB 4.24Å; A58-Q107 HydrophobicContact CB-CB 4.12Å; A58-Q107 HydrophobicContact CB-CG 4.16Å; L60-Q107 HydrophobicContact CD1-CG 3.83Å; F72-Q107 HydrophobicContact CD2-CB 4.45Å; F72-Q107 HydrophobicContact CE2-CB 4.05Å; E103-Q107 PolarHBondContact O-N 2.87Å; E103-Q107 PolarHBondContact O-NE2 2.97Å; E103-Q107 PolarHBondContact OE1-NE2 3.41Å; G104-Q107 WeakPolarHBondContact O-CB 3.19Å; G104-Q107 PolarHBondContact O-N 3.1Å; G104-Q107 VanDerWaalsContact O-N 3.13Å; L105-Q107 VanDerWaalsContact C-N 3.28Å; L105-Q107 PolarHBondContact O-N 2.72Å; Q107-K109 PolarHBondContact O-N 3.46Å; Q107-L110 PolarHBondContact O-N 2.98Å; Q107-G111 PolarHBondContact O-N 2.81Å; Q107-G112 PolarHBondContact O-N 2.87Å
108Y96.8Very high95.3Very high15 Ų1551.6 Ų51.66%0.05927%0.272CS..Hα-helixtrans-63.5-29.3174.6-66.6-57.9000113.1D19 V21 F72 L105 E106 G112 K118 I119 F120 I145D19-Y108 HydrophobicContact CB-CD1 4.27Å; D19-Y108 HydrophobicContact CB-CE1 4Å; V21-Y108 HydrophobicContact CB-CE2 4.43Å; V21-Y108 HydrophobicContact CG2-CD1 4.11Å; V21-Y108 HydrophobicContact CG2-CD2 4.32Å; V21-Y108 HydrophobicContact CG2-CE1 3.57Å; V21-Y108 HydrophobicContact CG2-CE2 3.84Å; V21-Y108 HydrophobicContact CG2-CG 4.44Å; V21-Y108 VanDerWaalsContact CG2-CZ 3.42Å; F72-Y108 HydrophobicContact CE2-CD1 4.14Å; F72-Y108 HydrophobicContact CZ-CD1 4.3Å; F72-Y108 HydrophobicContact CZ-CE1 4.27Å; L105-Y108 HydrophobicContact CD2-CD2 4.44Å; L105-Y108 PolarHBondContact O-N 3.39Å; E106-Y108 VanDerWaalsContact C-N 3.26Å; E106-Y108 PolarHBondContact O-N 3.19Å; Y108-G112 WeakPolarHBondContact O-CA 3.13Å; Y108-G112 PolarHBondContact O-N 3.31Å; Y108-K118 HydrophobicContact CD1-CB 4.4Å; Y108-K118 HydrophobicContact CD1-CD 3.98Å; Y108-K118 HydrophobicContact CD1-CG 3.85Å; Y108-K118 HydrophobicContact CD2-CD 4.45Å; Y108-K118 HydrophobicContact CE1-CB 3.79Å; Y108-K118 HydrophobicContact CE1-CD 4.21Å; Y108-K118 HydrophobicContact CE1-CG 3.71Å; Y108-K118 HydrophobicContact CG-CD 4.11Å; Y108-K118 HydrophobicContact CG-CG 4.47Å; Y108-I119 PolarHBondContact OH-N 3.33Å; Y108-I119 PolarHBondContact OH-O 3.04Å; Y108-F120 AromaticContact CE2-CD2 3.92Å; Y108-F120 HydrophobicContact CE2-CD2 3.92Å; Y108-I145 HydrophobicContact CD2-CD1 3.77Å; Y108-I145 HydrophobicContact CE2-CD1 3.66Å
109K95Very high95.4Very high156 Ų15651.5 Ų51.568%0.67827%0.271SS*.Hα-helixtrans-80.9-35.9177.5-56.6-173.9-158.2144.50111.8E106 Q107E106-K109 WeakPolarHBondContact O-CB 3.46Å; E106-K109 PolarHBondContact O-N 3.5Å; E106-K109 WeakPolarHBondContact OE2-CD 3.37Å; E106-K109 WeakPolarHBondContact OE2-CE 3.32Å; E106-K109 IonicContact OE2-NZ 3.29Å; E106-K109 PolarHBondContact OE2-NZ 3.33Å; Q107-K109 PolarHBondContact O-N 3.46Å
110L94.7Very high95.5Very high123 Ų12348 Ų4864%0.64426%0.255SS*.Hα-helixtrans-76.2-34.5-176.3-68.6174.5000113E106 Q107E106-L110 HydrophobicContact CG-CD1 4.06Å; E106-L110 HydrophobicContact CG-CG 4.23Å; E106-L110 WeakPolarHBondContact O-CG 3.49Å; E106-L110 PolarHBondContact O-N 3.37Å; Q107-L110 PolarHBondContact O-N 2.98Å
111G93.2Very high95.5Very high35 Ų3548 Ų4836%0.36126%0.255SS..Hα-helixtrans-149.56.6-176.600000115.4Q107Q107-G111 PolarHBondContact O-N 2.81Å
112G93.6Very high95.5Very high22 Ų2248 Ų4823%0.22726%0.255CS..  trans-69.8140.1177.100000111.7D19 Q107 Y108D19-G112 WeakPolarHBondContact OD2-CA 3.31Å; Q107-G112 PolarHBondContact O-N 2.87Å; Y108-G112 WeakPolarHBondContact O-CA 3.13Å; Y108-G112 PolarHBondContact O-N 3.31Å
113R93.6Very high95.5Very high32 Ų3245.9 Ų45.912%0.12124%0.24CC..  trans-82.9128.7178.2-70177.4-68172.1-0.2109.8P17 V18 D19 G54 E115 A116P17-R113 VanDerWaalsContact CB-NH1 3.35Å; V18-R113 PolarHBondContact O-NH2 3.33Å; D19-R113 IonicContact OD1-CZ 3.28Å; D19-R113 VanDerWaalsContact OD1-CZ 3.29Å; D19-R113 IonicContact OD1-NE 2.67Å; D19-R113 PolarHBondContact OD1-NE 2.91Å; D19-R113 IonicContact OD1-NH2 3.28Å; D19-R113 PolarHBondContact OD1-NH2 3.04Å; D19-R113 PolarHBondContact OD2-N 3.39Å; G54-R113 PolarHBondContact O-NH1 2.94Å; G54-R113 PolarHBondContact O-NH2 3.46Å; R113-E115 PolarHBondContact O-N 3.46Å; R113-A116 HydrophobicContact CB-CB 3.69Å; R113-A116 PolarHBondContact O-N 3.02Å; R113-A116 VanDerWaalsContact O-N 3.14Å
114P91Very high95.4Very high130 Ų13042.7 Ų42.784%0.84423%0.225SC*.THydrogen-bonded Turntrans-59.3-31.7-178.7-26.234.9000114.7
115E88.9Confident95.1Very high124 Ų12442.8 Ų42.858%0.57923%0.225SC*.THydrogen-bonded Turntrans-86.8-12179.976.2-73176.700113.7P17 R113P17-E115 HydrophobicContact CB-CG 4.43Å; P17-E115 HydrophobicContact CG-CG 3.73Å; R113-E115 PolarHBondContact O-N 3.46Å
116A92.4Very high94.5Very high9 Ų942 Ų427%0.07422%0.221CC..SBendtrans-80.7139.9-175.900000111.9P17 D19 R113P17-A116 HydrophobicContact CB-CB 3.97Å; P17-A116 CarbonylContact O-C 3.48Å; P17-A116 WeakPolarHBondContact O-CA 2.78Å; P17-A116 WeakPolarHBondContact O-CB 3.47Å; D19-A116 HydrophobicContact CB-CB 4.3Å; R113-A116 HydrophobicContact CB-CB 3.69Å; R113-A116 PolarHBondContact O-N 3.02Å; R113-A116 VanDerWaalsContact O-N 3.14Å
117K92.8Very high94Very high97 Ų9741.5 Ų41.542%0.42222%0.221SC..EExtended strand (participates in β ladder)trans-69.3133.6168.3-167.7168.7-168.6172.70109.1P17 V18 D19 I148 L189P17-K117 PolarHBondContact O-N 2.51Å; V18-K117 CarbonylContact C-O 3.57Å; V18-K117 WeakPolarHBondContact CA-O 3.45Å; V18-K117 HydrophobicContact CG2-CB 4.24Å; D19-K117 PolarHBondContact N-O 3.31Å; K117-I148 HydrophobicContact CD-CD1 4.4Å; K117-L189 HydrophobicContact CD-CD2 4.25Å
118K95.8Very high93.6Very high60 Ų6042.1 Ų42.126%0.26123%0.226SC..EExtended strand (participates in β ladder)trans-95134.6-177.5-65.5172.5-173.2161.70110.5Y108 A147 I148Y108-K118 HydrophobicContact CD1-CB 4.4Å; Y108-K118 HydrophobicContact CD1-CD 3.98Å; Y108-K118 HydrophobicContact CD1-CG 3.85Å; Y108-K118 HydrophobicContact CD2-CD 4.45Å; Y108-K118 HydrophobicContact CE1-CB 3.79Å; Y108-K118 HydrophobicContact CE1-CD 4.21Å; Y108-K118 HydrophobicContact CE1-CG 3.71Å; Y108-K118 HydrophobicContact CG-CD 4.11Å; Y108-K118 HydrophobicContact CG-CG 4.47Å; K118-A147 HydrophobicContact CB-CB 3.63Å; K118-A147 WeakPolarHBondContact O-CA 3.28Å; K118-I148 PolarHBondContact O-N 2.78Å
119I96.3Very high93.1Very high2 Ų249.6 Ų49.61%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-132.7121.9177.5-56.6-173.5000108.8V18 D19 L20 V21 Y108 V121 I148 L186 L189 T190V18-I119 HydrophobicContact CG1-CD1 3.57Å; V18-I119 HydrophobicContact CG1-CG1 3.83Å; D19-I119 PolarHBondContact O-N 3.04Å; L20-I119 CarbonylContact C-O 3.58Å; L20-I119 WeakPolarHBondContact CA-O 3.19Å; L20-I119 HydrophobicContact CD1-CB 4.05Å; L20-I119 HydrophobicContact CD1-CG2 3.75Å; V21-I119 PolarHBondContact N-O 2.94Å; Y108-I119 PolarHBondContact OH-N 3.33Å; Y108-I119 PolarHBondContact OH-O 3.04Å; I119-V121 HydrophobicContact CG2-CG2 4.28Å; I119-I148 CarbonylContact C-O 3.53Å; I119-I148 WeakPolarHBondContact CA-O 3.33Å; I119-I148 HydrophobicContact CG1-CB 4.43Å; I119-L186 HydrophobicContact CD1-CD2 3.61Å; I119-L186 HydrophobicContact CG1-CD2 4.48Å; I119-L186 HydrophobicContact CG2-CD2 3.46Å; I119-L186 VanDerWaalsContact CG2-CD2 3.46Å; I119-L189 HydrophobicContact CD1-CB 4.25Å; I119-L189 HydrophobicContact CD1-CD1 4.15Å; I119-T190 HydrophobicContact CD1-CG2 4.43Å
120F98.1Very high92.9Very high0 Ų043.1 Ų43.10%023%0.228CC..EExtended strand (participates in β ladder)trans-113.5114.7-179.7-161.8-80.8000110.2V21 V23 V101 L105 Y108 L122 L142 I148 V149 A150V21-F120 HydrophobicContact CB-CD2 3.89Å; V21-F120 HydrophobicContact CB-CE2 4.16Å; V21-F120 HydrophobicContact CG1-CD2 3.96Å; V21-F120 HydrophobicContact CG1-CE2 3.7Å; V21-F120 HydrophobicContact CG1-CZ 4.38Å; V23-F120 HydrophobicContact CB-CE1 4.34Å; V23-F120 HydrophobicContact CB-CZ 4.29Å; V23-F120 HydrophobicContact CG2-CE1 3.85Å; V23-F120 HydrophobicContact CG2-CE2 4.06Å; V23-F120 HydrophobicContact CG2-CZ 3.38Å; V101-F120 HydrophobicContact CG1-CZ 4.44Å; V101-F120 HydrophobicContact CG2-CE1 4.41Å; L105-F120 HydrophobicContact CG-CE2 4.49Å; Y108-F120 AromaticContact CE2-CD2 3.92Å; Y108-F120 HydrophobicContact CE2-CD2 3.92Å; F120-L122 HydrophobicContact CD1-CB 4.4Å; F120-L122 HydrophobicContact CE1-CB 4.14Å; F120-L142 HydrophobicContact CB-CD1 3.96Å; F120-L142 HydrophobicContact CD1-CD1 3.83Å; F120-L142 HydrophobicContact CD1-CD2 4.35Å; F120-L142 HydrophobicContact CD2-CD1 3.89Å; F120-L142 HydrophobicContact CE1-CD1 4.27Å; F120-L142 HydrophobicContact CE2-CD1 4.3Å; F120-L142 HydrophobicContact CG-CD1 3.61Å; F120-L142 HydrophobicContact CZ-CD1 4.48Å; F120-I148 PolarHBondContact N-O 3.17Å; F120-V149 CarbonylContact O-C 3.56Å; F120-V149 WeakPolarHBondContact O-CA 3.34Å; F120-A150 PolarHBondContact O-N 2.7Å
121V98.3Very high92.7Very high0 Ų044.5 Ų44.50%023%0.229CC..EExtended strand (participates in β ladder)trans-107.7108.3176.2-178.80000108.8L20 V21 M22 V23 L44 I119 M123 A150 V152 L186L20-V121 HydrophobicContact CD1-CB 4.42Å; L20-V121 HydrophobicContact CD1-CG2 3.68Å; V21-V121 PolarHBondContact O-N 2.95Å; M22-V121 WeakPolarHBondContact CA-O 3.33Å; M22-V121 HydrophobicContact CG-CB 4.29Å; V23-V121 PolarHBondContact N-O 2.97Å; L44-V121 HydrophobicContact CD1-CG1 4.39Å; L44-V121 HydrophobicContact CD1-CG2 4.47Å; I119-V121 HydrophobicContact CG2-CG2 4.28Å; V121-M123 HydrophobicContact CG1-CE 3.74Å; V121-M123 HydrophobicContact CG1-CG 4.15Å; V121-A150 CarbonylContact C-O 3.52Å; V121-A150 WeakPolarHBondContact CA-O 3.43Å; V121-A150 HydrophobicContact CG2-CB 4.34Å; V121-V152 HydrophobicContact CG1-CG2 4.01Å; V121-L186 HydrophobicContact CG2-CD1 4.2Å
122L98.4Very high92.6Very high0 Ų048 Ų480%023%0.231CC..EExtended strand (participates in β ladder)trans-93.1128.7172.1178.961.3000109.1V23 Y62 T97 V101 F120 T124 A150 V151 V152 Y166V23-L122 HydrophobicContact CB-CD1 4.07Å; V23-L122 HydrophobicContact CG1-CD1 4.01Å; Y62-L122 HydrophobicContact CE1-CD1 4.29Å; T97-L122 HydrophobicContact CG2-CD1 4.14Å; T97-L122 HydrophobicContact CG2-CD2 3.95Å; V101-L122 HydrophobicContact CG2-CD1 4.15Å; V101-L122 HydrophobicContact CG2-CD2 4.02Å; F120-L122 HydrophobicContact CD1-CB 4.4Å; F120-L122 HydrophobicContact CE1-CB 4.14Å; L122-T124 HydrophobicContact CD1-CG2 4.45Å; L122-T124 HydrophobicContact CD2-CG2 3.83Å; L122-T124 HydrophobicContact CG-CG2 3.77Å; L122-A150 PolarHBondContact N-O 3.1Å; L122-V151 HydrophobicContact CB-CG1 4.48Å; L122-V151 HydrophobicContact CB-CG2 4.44Å; L122-V151 HydrophobicContact CD2-CG1 4.36Å; L122-V151 HydrophobicContact CG-CG1 4.47Å; L122-V151 CarbonylContact O-C 3.57Å; L122-V151 VanDerWaalsContact O-CA 3.3Å; L122-V151 WeakPolarHBondContact O-CA 3.36Å; L122-V152 PolarHBondContact O-N 3.48Å; L122-Y166 HydrophobicContact CD2-CD1 4.39Å; L122-Y166 HydrophobicContact CD2-CD2 3.71Å; L122-Y166 HydrophobicContact CD2-CE2 4.26Å; L122-Y166 HydrophobicContact CD2-CG 3.77Å
123M98.1Very high92.4Very high0 Ų051.4 Ų51.40%025%0.248CC..EExtended strand (participates in β ladder)trans-116.8109.6176.6-54.6-175.5179.600108.5M22 V23 M24 D25 Y37 T40 A41 L44 V121 V152M22-M123 HydrophobicContact SD-CE 4.33Å; V23-M123 PolarHBondContact O-N 3.37Å; M24-M123 HydrophobicContact CE-SD 3.8Å; M24-M123 HydrophobicContact CG-SD 4.34Å; D25-M123 WeakPolarHBondContact CB-O 3.4Å; D25-M123 PolarHBondContact N-O 3.37Å; Y37-M123 HydrophobicContact CD1-CB 3.53Å; Y37-M123 HydrophobicContact CD1-CG 4.13Å; Y37-M123 HydrophobicContact CD1-SD 4.01Å; Y37-M123 HydrophobicContact CE1-CB 3.61Å; Y37-M123 HydrophobicContact CE1-CG 4.47Å; Y37-M123 HydrophobicContact CG-CB 4.1Å; Y37-M123 HydrophobicContact CG-SD 4.41Å; T40-M123 HydrophobicContact CG2-CE 4.05Å; A41-M123 HydrophobicContact CB-CE 3.96Å; A41-M123 HydrophobicContact CB-SD 4.49Å; L44-M123 HydrophobicContact CD1-CE 4.17Å; V121-M123 HydrophobicContact CG1-CE 3.74Å; V121-M123 HydrophobicContact CG1-CG 4.15Å; M123-V152 WeakPolarHBondContact CA-O 3.35Å; M123-V152 HydrophobicContact CB-CB 4.43Å; M123-V152 HydrophobicContact CG-CB 4.06Å; M123-V152 HydrophobicContact CG-CG2 4.36Å
124T96.3Very high92.4Very high0 Ų053 Ų530%026%0.259CS..  trans-159.2149.9-168.5-1760000111.6Y37 Y62 L122 G126 V151 V152 A153 I163Y37-T124 WeakPolarHBondContact OH-CA 3.26Å; Y37-T124 PolarHBondContact OH-N 2.89Å; Y37-T124 PolarHBondContact OH-O 3.26Å; Y62-T124 WeakPolarHBondContact OH-CB 3.36Å; Y62-T124 PolarHBondContact OH-OG1 2.9Å; Y62-T124 VanDerWaalsContact OH-OG1 3.12Å; L122-T124 HydrophobicContact CD1-CG2 4.45Å; L122-T124 HydrophobicContact CD2-CG2 3.83Å; L122-T124 HydrophobicContact CG-CG2 3.77Å; T124-G126 VanDerWaalsContact C-N 3.32Å; T124-G126 PolarHBondContact OG1-N 2.84Å; T124-G126 VanDerWaalsContact OG1-N 3.11Å; T124-V151 HydrophobicContact CG2-CG1 4Å; T124-V152 PolarHBondContact N-O 2.87Å; T124-A153 VanDerWaalsContact O-CA 3.27Å; T124-A153 WeakPolarHBondContact O-CA 3.39Å; T124-I163 HydrophobicContact CG2-CD1 3.59Å
125D90.1Very high92.4Very high3 Ų346.9 Ų46.92%0.01622%0.219CC..  trans-87.3-3169.372.4-12.2000113.2S29 V30 N127 Y154 I158 Y159S29-D125 WeakPolarHBondContact CB-OD2 3.29Å; S29-D125 PolarHBondContact OG-OD1 3.35Å; S29-D125 PolarHBondContact OG-OD2 3.39Å; V30-D125 HydrophobicContact CG1-CB 3.83Å; D125-N127 VanDerWaalsContact C-N 3.34Å; D125-N127 VanDerWaalsContact CG-ND2 3.26Å; D125-N127 PolarHBondContact O-N 2.81Å; D125-N127 PolarHBondContact OD1-N 3.27Å; D125-N127 PolarHBondContact OD2-ND2 3.45Å; D125-Y154 WeakPolarHBondContact CB-O 3.28Å; D125-I158 CarbonylContact O-C 3.58Å; D125-I158 VanDerWaalsContact O-CA 3.28Å; D125-I158 WeakPolarHBondContact O-CA 3.17Å; D125-Y159 PolarHBondContact O-N 3.13Å
126G86.8Confident92.6Very high0 Ų044.2 Ų44.20%021%0.208CC..SBendtrans79.35179.600000115.1T124 S128 Y159 E162T124-G126 VanDerWaalsContact C-N 3.32Å; T124-G126 PolarHBondContact OG1-N 2.84Å; T124-G126 VanDerWaalsContact OG1-N 3.11Å; G126-S128 VanDerWaalsContact C-N 3.28Å; G126-S128 PolarHBondContact O-N 3.36Å; G126-S128 VanDerWaalsContact O-N 3.16Å; G126-Y159 WeakPolarHBondContact O-CB 3.35Å; G126-Y159 WeakPolarHBondContact O-CD1 3.3Å; G126-E162 WeakPolarHBondContact O-CB 3.4Å; G126-E162 VanDerWaalsContact O-CD 3.26Å
127N86.5Confident92.7Very high55 Ų5546.2 Ų46.229%0.29422%0.221SC..  trans-89.953.4-179.5-68.7-72.8000112.4D125 S157D125-N127 VanDerWaalsContact C-N 3.34Å; D125-N127 VanDerWaalsContact CG-ND2 3.26Å; D125-N127 PolarHBondContact O-N 2.81Å; D125-N127 PolarHBondContact OD1-N 3.27Å; D125-N127 PolarHBondContact OD2-ND2 3.45Å; N127-S157 PolarHBondContact ND2-O 3.25Å
128S88.6Confident92.9Very high22 Ų2241.6 Ų41.615%0.15420%0.202CC..  trans-71.8149.5178.981.30000112.8T95 T97 G126 N130 E162T95-S128 CarbonylContact O-C 3.59Å; T95-S128 WeakPolarHBondContact O-CA 2.91Å; T97-S128 WeakPolarHBondContact OG1-CB 3.43Å; G126-S128 VanDerWaalsContact C-N 3.28Å; G126-S128 PolarHBondContact O-N 3.36Å; G126-S128 VanDerWaalsContact O-N 3.16Å; S128-N130 WeakPolarHBondContact CB-OD1 3.32Å; S128-N130 PolarHBondContact O-N 3.28Å; S128-N130 WeakPolarHBondContact OG-CB 3.49Å; S128-N130 PolarHBondContact OG-N 3.1Å; S128-N130 PolarHBondContact OG-OD1 3.23Å; S128-E162 VanDerWaalsContact CB-OE1 3.24Å; S128-E162 WeakPolarHBondContact CB-OE1 3.23Å; S128-E162 WeakPolarHBondContact CB-OE2 3.41Å; S128-E162 PolarHBondContact N-OE2 3.19Å; S128-E162 PolarHBondContact OG-OE1 3.22Å; S128-E162 PolarHBondContact OG-OE2 2.76Å
129Y87.3Confident92.9Very high171 Ų17138.9 Ų38.967%0.67119%0.19SC*.  trans-8711.7171-77.7-110.6000111.5T94 T95T94-Y129 HydrophobicContact CG2-CD1 4.3Å; T94-Y129 HydrophobicContact CG2-CD2 4.38Å; T94-Y129 HydrophobicContact CG2-CE1 4.25Å; T94-Y129 HydrophobicContact CG2-CE2 4.32Å; T94-Y129 HydrophobicContact CG2-CG 4.36Å; T95-Y129 PolarHBondContact O-N 3.26Å
130N90.7Very high92.8Very high21 Ų2144.1 Ų44.111%0.11222%0.218CC..SBendtrans-68153.3177.8-71.1112.1000111.2L96 T97 A98 E99 S128 V135L96-N130 WeakPolarHBondContact CA-OD1 3.46Å; T97-N130 PolarHBondContact N-OD1 2.96Å; A98-N130 HydrophobicContact CB-CB 4.32Å; A98-N130 PolarHBondContact N-OD1 2.97Å; E99-N130 PolarHBondContact OE1-ND2 3.03Å; E99-N130 PolarHBondContact OE2-ND2 3.32Å; S128-N130 WeakPolarHBondContact CB-OD1 3.32Å; S128-N130 PolarHBondContact O-N 3.28Å; S128-N130 WeakPolarHBondContact OG-CB 3.49Å; S128-N130 PolarHBondContact OG-N 3.1Å; S128-N130 PolarHBondContact OG-OD1 3.23Å; N130-V135 HydrophobicContact CB-CG2 3.69Å
131K89Confident92.8Very high152 Ų15249.1 Ų49.166%0.66124%0.24SC*.  trans-67.3142161.7-61.3176.1-178.4172.90107.7T133 D134 V135K131-T133 PolarHBondContact O-N 3.27Å; K131-T133 VanDerWaalsContact O-N 3.09Å; K131-D134 WeakPolarHBondContact CB-OD2 3.42Å; K131-D134 WeakPolarHBondContact O-CA 3.38Å; K131-D134 WeakPolarHBondContact O-CB 3.47Å; K131-D134 PolarHBondContact O-N 2.72Å; K131-V135 PolarHBondContact O-N 2.87Å
132W92Very high92.7Very high109 Ų10949.1 Ų49.141%0.41324%0.24SC..Hα-helixtrans-55.3-32.8178.9-165.9-116.6000113.5D134 V135 L136 Y159 P161 E162 V165W132-D134 VanDerWaalsContact C-N 3.27Å; W132-D134 PolarHBondContact O-N 2.74Å; W132-V135 HydrophobicContact CE3-CB 4.18Å; W132-V135 HydrophobicContact CE3-CG1 4.26Å; W132-V135 HydrophobicContact CE3-CG2 4.26Å; W132-V135 HydrophobicContact CH2-CG1 4.43Å; W132-V135 HydrophobicContact CZ3-CB 4.41Å; W132-V135 HydrophobicContact CZ3-CG1 3.99Å; W132-V135 PolarHBondContact O-N 2.94Å; W132-L136 WeakPolarHBondContact O-CG 3.47Å; W132-L136 PolarHBondContact O-N 3.27Å; W132-Y159 HydrophobicContact CZ3-CE1 4.18Å; W132-P161 HydrophobicContact CH2-CB 4.16Å; W132-P161 WeakPolarHBondContact CH2-O 3.3Å; W132-E162 HydrophobicContact CH2-CB 4.39Å; W132-E162 HydrophobicContact CZ3-CB 4.02Å; W132-V165 HydrophobicContact CH2-CG2 3.76Å; W132-V165 HydrophobicContact CZ2-CG2 3.6Å
133T89.4Confident92.4Very high93 Ų9352.3 Ų52.357%0.57126%0.255SS*.Hα-helixtrans-61.6-34.2173.952.20000113.3K131 S137K131-T133 PolarHBondContact O-N 3.27Å; K131-T133 VanDerWaalsContact O-N 3.09Å; T133-S137 VanDerWaalsContact O-CB 3.3Å; T133-S137 WeakPolarHBondContact O-CB 3.37Å; T133-S137 PolarHBondContact O-N 3.44Å
134D94.1Very high92.2Very high66 Ų6656.7 Ų56.735%0.35329%0.286SS..Hα-helixtrans-76.5-38-179.7-55.4-28.4000110A98 K131 W132 S137 A138A98-D134 HydrophobicContact CB-CB 4.23Å; K131-D134 WeakPolarHBondContact CB-OD2 3.42Å; K131-D134 WeakPolarHBondContact O-CA 3.38Å; K131-D134 WeakPolarHBondContact O-CB 3.47Å; K131-D134 PolarHBondContact O-N 2.72Å; W132-D134 VanDerWaalsContact C-N 3.27Å; W132-D134 PolarHBondContact O-N 2.74Å; D134-S137 PolarHBondContact O-N 2.74Å; D134-A138 WeakPolarHBondContact O-CB 3.26Å; D134-A138 PolarHBondContact O-N 3.46Å
135V91.6Very high91.8Very high0 Ų058.9 Ų58.90%030%0.297CS..Hα-helixtrans-58.3-52.6171.6177.40000110.6N130 K131 W132 S137 A138 A139 E162 V165 Y166N130-V135 HydrophobicContact CB-CG2 3.69Å; K131-V135 PolarHBondContact O-N 2.87Å; W132-V135 HydrophobicContact CE3-CB 4.18Å; W132-V135 HydrophobicContact CE3-CG1 4.26Å; W132-V135 HydrophobicContact CE3-CG2 4.26Å; W132-V135 HydrophobicContact CH2-CG1 4.43Å; W132-V135 HydrophobicContact CZ3-CB 4.41Å; W132-V135 HydrophobicContact CZ3-CG1 3.99Å; W132-V135 PolarHBondContact O-N 2.94Å; V135-S137 VanDerWaalsContact C-N 3.35Å; V135-S137 PolarHBondContact O-N 3.37Å; V135-A138 PolarHBondContact O-N 2.92Å; V135-A139 WeakPolarHBondContact O-CB 3.34Å; V135-A139 PolarHBondContact O-N 3Å; V135-E162 HydrophobicContact CG1-CG 3.94Å; V135-V165 HydrophobicContact CG1-CB 4.41Å; V135-V165 HydrophobicContact CG1-CG1 3.96Å; V135-Y166 HydrophobicContact CG1-CE2 3.94Å
136L91.5Very high91.7Very high69 Ų6966.3 Ų66.336%0.36134%0.336SS..Hα-helixtrans-59.4-45177.3-67.4172.8000111.5W132 A138 A139 D140 V165W132-L136 WeakPolarHBondContact O-CG 3.47Å; W132-L136 PolarHBondContact O-N 3.27Å; L136-A138 PolarHBondContact O-N 2.87Å; L136-A139 PolarHBondContact O-N 3.11Å; L136-D140 WeakPolarHBondContact O-CB 3.3Å; L136-D140 VanDerWaalsContact O-CG 3.31Å; L136-D140 PolarHBondContact O-N 2.84Å; L136-V165 HydrophobicContact CD2-CG1 4.04Å; L136-V165 HydrophobicContact CD2-CG2 4.04Å
137S94.9Very high92Very high50 Ų5067.2 Ų67.235%0.3534%0.344SS..Hα-helixtrans-62.7-40.5178.7-169.20000113T133 D134 V135 K141T133-S137 VanDerWaalsContact O-CB 3.3Å; T133-S137 WeakPolarHBondContact O-CB 3.37Å; T133-S137 PolarHBondContact O-N 3.44Å; D134-S137 PolarHBondContact O-N 2.74Å; V135-S137 VanDerWaalsContact C-N 3.35Å; V135-S137 PolarHBondContact O-N 3.37Å; S137-K141 VanDerWaalsContact O-CG 3.28Å; S137-K141 WeakPolarHBondContact O-CG 3.44Å; S137-K141 PolarHBondContact O-N 3.36Å; S137-K141 VanDerWaalsContact O-N 3.16Å
138A97Very high92.3Very high1 Ų166.7 Ų66.71%0.00834%0.34CS..Hα-helixtrans-68.3-42.3177.100000111.6A98 V101 D134 V135 L136 K141 L142 Y166A98-A138 HydrophobicContact CB-CB 3.81Å; V101-A138 HydrophobicContact CB-CB 4.34Å; V101-A138 HydrophobicContact CG1-CB 4.22Å; D134-A138 WeakPolarHBondContact O-CB 3.26Å; D134-A138 PolarHBondContact O-N 3.46Å; V135-A138 PolarHBondContact O-N 2.92Å; L136-A138 PolarHBondContact O-N 2.87Å; A138-K141 PolarHBondContact O-N 3.1Å; A138-L142 WeakPolarHBondContact O-CB 3.44Å; A138-L142 PolarHBondContact O-N 2.67Å; A138-Y166 HydrophobicContact CB-CE1 4.12Å
139A95.6Very high92.6Very high2 Ų266.4 Ų66.42%0.01734%0.338CS..Hα-helixtrans-65.3-43.1176.200000112.2V135 L136 K141 L142 H143 V165 Y166V135-A139 WeakPolarHBondContact O-CB 3.34Å; V135-A139 PolarHBondContact O-N 3Å; L136-A139 PolarHBondContact O-N 3.11Å; A139-K141 VanDerWaalsContact C-N 3.28Å; A139-K141 PolarHBondContact O-N 3.12Å; A139-L142 WeakPolarHBondContact O-CB 3.21Å; A139-L142 PolarHBondContact O-N 3.41Å; A139-L142 VanDerWaalsContact O-N 3.08Å; A139-H143 PolarHBondContact O-CD2 2.98Å; A139-H143 PolarHBondContact O-N 2.85Å; A139-V165 HydrophobicContact CB-CG1 3.3Å; A139-Y166 HydrophobicContact CB-CD1 3.73Å; A139-Y166 HydrophobicContact CB-CE1 3.9Å
140D95Very high93Very high113 Ų11358.3 Ų58.360%0.60431%0.306SS*.Hα-helixtrans-58.3-42.1174.8-76.1-17.1000111.3L136 H143 S144L136-D140 WeakPolarHBondContact O-CB 3.3Å; L136-D140 VanDerWaalsContact O-CG 3.31Å; L136-D140 PolarHBondContact O-N 2.84Å; D140-H143 PolarHBondContact O-N 3.5Å; D140-S144 VanDerWaalsContact O-CB 3.25Å; D140-S144 WeakPolarHBondContact O-CB 3.21Å; D140-S144 PolarHBondContact O-N 3.5Å
141K96.8Very high93.3Very high104 Ų10457.3 Ų57.345%0.45230%0.301SS..Hα-helixtrans-64.8-41.5174.1-69.8167.2-169.6166.50112L105 S137 A138 A139 H143 S144L105-K141 HydrophobicContact CD1-CB 3.85Å; S137-K141 VanDerWaalsContact O-CG 3.28Å; S137-K141 WeakPolarHBondContact O-CG 3.44Å; S137-K141 PolarHBondContact O-N 3.36Å; S137-K141 VanDerWaalsContact O-N 3.16Å; A138-K141 PolarHBondContact O-N 3.1Å; A139-K141 VanDerWaalsContact C-N 3.28Å; A139-K141 PolarHBondContact O-N 3.12Å; K141-H143 VanDerWaalsContact C-N 3.34Å; K141-S144 WeakPolarHBondContact CA-OG 3.06Å; K141-S144 PolarHBondContact O-N 2.9Å; K141-S144 PolarHBondContact O-OG 3.02Å
142L96.5Very high93.7Very high0 Ų050 Ų500%027%0.269CS..Hα-helixtrans-62-42.2177.9177.161.8000111.7V101 L105 F120 A138 A139 S144 I145 V149 Y166V101-L142 HydrophobicContact CG1-CB 4.01Å; V101-L142 HydrophobicContact CG1-CD2 4.1Å; V101-L142 HydrophobicContact CG1-CG 4.46Å; L105-L142 HydrophobicContact CD1-CB 4.25Å; L105-L142 HydrophobicContact CD2-CD1 3.79Å; L105-L142 HydrophobicContact CG-CD1 4.43Å; F120-L142 HydrophobicContact CB-CD1 3.96Å; F120-L142 HydrophobicContact CD1-CD1 3.83Å; F120-L142 HydrophobicContact CD1-CD2 4.35Å; F120-L142 HydrophobicContact CD2-CD1 3.89Å; F120-L142 HydrophobicContact CE1-CD1 4.27Å; F120-L142 HydrophobicContact CE2-CD1 4.3Å; F120-L142 HydrophobicContact CG-CD1 3.61Å; F120-L142 HydrophobicContact CZ-CD1 4.48Å; A138-L142 WeakPolarHBondContact O-CB 3.44Å; A138-L142 PolarHBondContact O-N 2.67Å; A139-L142 WeakPolarHBondContact O-CB 3.21Å; A139-L142 PolarHBondContact O-N 3.41Å; A139-L142 VanDerWaalsContact O-N 3.08Å; L142-S144 VanDerWaalsContact C-N 3.35Å; L142-I145 WeakPolarHBondContact O-CG1 3.27Å; L142-V149 HydrophobicContact CD1-CG2 3.92Å; L142-V149 HydrophobicContact CD2-CG1 3.79Å; L142-V149 HydrophobicContact CD2-CG2 4.1Å; L142-V149 HydrophobicContact CG-CG1 4.39Å; L142-V149 HydrophobicContact CG-CG2 3.76Å; L142-Y166 HydrophobicContact CD2-CD1 4.05Å
143H93.2Very high93.9Very high67 Ų6744.9 Ų44.931%0.3125%0.25SS..Hα-helixtrans-81.8-13.7178.7-62.7-54.6000113.5A139 D140 K141 I145 V165 Y166A139-H143 PolarHBondContact O-CD2 2.98Å; A139-H143 PolarHBondContact O-N 2.85Å; D140-H143 PolarHBondContact O-N 3.5Å; K141-H143 VanDerWaalsContact C-N 3.34Å; H143-I145 VanDerWaalsContact C-N 3.28Å; H143-V165 PolarHBondContact NE2-O 3.43Å; H143-V165 VanDerWaalsContact NE2-O 3.09Å; H143-Y166 PolarHBondContact CE1-O 2.57Å; H143-Y166 PolarHBondContact NE2-O 3.17Å
144S92.8Very high94.1Very high93 Ų9340.7 Ų40.765%0.6522%0.224SC*.Hα-helixtrans-76.7-16.1174.574.90000113.4D140 K141 L142D140-S144 VanDerWaalsContact O-CB 3.25Å; D140-S144 WeakPolarHBondContact O-CB 3.21Å; D140-S144 PolarHBondContact O-N 3.5Å; K141-S144 WeakPolarHBondContact CA-OG 3.06Å; K141-S144 PolarHBondContact O-N 2.9Å; K141-S144 PolarHBondContact O-OG 3.02Å; L142-S144 VanDerWaalsContact C-N 3.35Å
145I89Confident93.9Very high46 Ų4638.3 Ų38.324%0.23621%0.214CC..SBendtrans-92.2143.5171.664.8158.3000109.2L105 Y108 L142 H143 A147L105-I145 HydrophobicContact CD2-CD1 3.31Å; L105-I145 HydrophobicContact CD2-CG1 3.89Å; Y108-I145 HydrophobicContact CD2-CD1 3.77Å; Y108-I145 HydrophobicContact CE2-CD1 3.66Å; L142-I145 WeakPolarHBondContact O-CG1 3.27Å; H143-I145 VanDerWaalsContact C-N 3.28Å; I145-A147 HydrophobicContact CD1-CB 3.53Å; I145-A147 HydrophobicContact CG1-CB 3.77Å; I145-A147 PolarHBondContact O-N 2.92Å
146D87.9Confident93.5Very high158 Ų15844.3 Ų44.385%0.84525%0.247SC*.SBendtrans-7369.8173-173.527.5000110.1
147A92.7Very high93.2Very high19 Ų1945.4 Ų45.416%0.15726%0.26CS..EExtended strand (participates in β ladder)trans-123.9143.7178.600000110.6K118 I145 V149K118-A147 HydrophobicContact CB-CB 3.63Å; K118-A147 WeakPolarHBondContact O-CA 3.28Å; I145-A147 HydrophobicContact CD1-CB 3.53Å; I145-A147 HydrophobicContact CG1-CB 3.77Å; I145-A147 PolarHBondContact O-N 2.92Å; A147-V149 PolarHBondContact O-N 2.75Å
148I92.1Very high92.9Very high44 Ų4445 Ų4523%0.22625%0.254CS..EExtended strand (participates in β ladder)trans-78118.7168.3-65.4-177.2000107.8K117 K118 I119 F120 L185 L189K117-I148 HydrophobicContact CD-CD1 4.4Å; K118-I148 PolarHBondContact O-N 2.78Å; I119-I148 CarbonylContact C-O 3.53Å; I119-I148 WeakPolarHBondContact CA-O 3.33Å; I119-I148 HydrophobicContact CG1-CB 4.43Å; F120-I148 PolarHBondContact N-O 3.17Å; I148-L185 HydrophobicContact CG2-CD2 4.48Å; I148-L189 HydrophobicContact CD1-CD1 3.37Å; I148-L189 HydrophobicContact CD1-CD2 3.52Å; I148-L189 HydrophobicContact CD1-CG 4.1Å; I148-L189 HydrophobicContact CG2-CD1 4.31Å
149V95.3Very high92.6Very high16 Ų1650.1 Ų50.110%0.09727%0.273CS..EExtended strand (participates in β ladder)trans-100.1134.4179.4-177.20000109.4F120 L142 A147 V151 Y166 S172F120-V149 CarbonylContact O-C 3.56Å; F120-V149 WeakPolarHBondContact O-CA 3.34Å; L142-V149 HydrophobicContact CD1-CG2 3.92Å; L142-V149 HydrophobicContact CD2-CG1 3.79Å; L142-V149 HydrophobicContact CD2-CG2 4.1Å; L142-V149 HydrophobicContact CG-CG1 4.39Å; L142-V149 HydrophobicContact CG-CG2 3.76Å; A147-V149 PolarHBondContact O-N 2.75Å; V149-V151 HydrophobicContact CG1-CG2 4.34Å; V149-Y166 WeakPolarHBondContact CG1-O 3.34Å; V149-S172 VanDerWaalsContact O-CB 3.23Å; V149-S172 WeakPolarHBondContact O-CB 3.48Å; V149-S172 PolarHBondContact O-OG 2.89Å
150A96.1Very high92.3Very high1 Ų154 Ų541%0.00829%0.288CS..EExtended strand (participates in β ladder)trans-130.9132.4169.700000109.3F120 V121 L122 Y174 L182F120-A150 PolarHBondContact O-N 2.7Å; V121-A150 CarbonylContact C-O 3.52Å; V121-A150 WeakPolarHBondContact CA-O 3.43Å; V121-A150 HydrophobicContact CG2-CB 4.34Å; L122-A150 PolarHBondContact N-O 3.1Å; A150-Y174 HydrophobicContact CB-CD2 4.09Å; A150-Y174 HydrophobicContact CB-CE2 3.69Å; A150-L182 HydrophobicContact CB-CD1 3.45Å; A150-L182 VanDerWaalsContact CB-CD1 3.45Å
151V96.9Very high91.9Very high0 Ų051 Ų510%028%0.275CS..EExtended strand (participates in β ladder)trans-112.8112.7177.3-171.90000108.7L122 T124 V149 I163 A167 S172 A173 Y174L122-V151 HydrophobicContact CB-CG1 4.48Å; L122-V151 HydrophobicContact CB-CG2 4.44Å; L122-V151 HydrophobicContact CD2-CG1 4.36Å; L122-V151 HydrophobicContact CG-CG1 4.47Å; L122-V151 CarbonylContact O-C 3.57Å; L122-V151 VanDerWaalsContact O-CA 3.3Å; L122-V151 WeakPolarHBondContact O-CA 3.36Å; T124-V151 HydrophobicContact CG2-CG1 4Å; V149-V151 HydrophobicContact CG1-CG2 4.34Å; V151-I163 HydrophobicContact CB-CG2 4.36Å; V151-I163 HydrophobicContact CG1-CD1 3.94Å; V151-I163 HydrophobicContact CG1-CG2 3.92Å; V151-A167 HydrophobicContact CB-CB 4.16Å; V151-A167 HydrophobicContact CG2-CB 3.75Å; V151-S172 PolarHBondContact N-O 2.85Å; V151-A173 CarbonylContact O-C 3.53Å; V151-A173 VanDerWaalsContact O-CA 3.31Å; V151-A173 WeakPolarHBondContact O-CA 3.19Å; V151-Y174 PolarHBondContact O-N 2.84Å
152V97.8Very high91.4Very high0 Ų046.3 Ų46.30%025%0.254CS..EExtended strand (participates in β ladder)trans-90.4110.1173.8-176.20000108.3Y37 T40 V121 L122 M123 T124 Y154 Y174 L182Y37-V152 HydrophobicContact CD1-CG1 4.34Å; Y37-V152 HydrophobicContact CE1-CB 4.49Å; Y37-V152 HydrophobicContact CE1-CG1 4.04Å; T40-V152 HydrophobicContact CG2-CG1 4.38Å; T40-V152 HydrophobicContact CG2-CG2 4.45Å; V121-V152 HydrophobicContact CG1-CG2 4.01Å; L122-V152 PolarHBondContact O-N 3.48Å; M123-V152 WeakPolarHBondContact CA-O 3.35Å; M123-V152 HydrophobicContact CB-CB 4.43Å; M123-V152 HydrophobicContact CG-CB 4.06Å; M123-V152 HydrophobicContact CG-CG2 4.36Å; T124-V152 PolarHBondContact N-O 2.87Å; V152-Y154 HydrophobicContact CG1-CD1 4.07Å; V152-Y154 HydrophobicContact CG1-CD2 4.08Å; V152-Y154 HydrophobicContact CG1-CE1 3.52Å; V152-Y154 HydrophobicContact CG1-CE2 3.55Å; V152-Y154 HydrophobicContact CG1-CG 4.31Å; V152-Y174 CarbonylContact C-O 3.58Å; V152-Y174 VanDerWaalsContact CA-O 3.26Å; V152-Y174 WeakPolarHBondContact CA-O 3.39Å; V152-L182 HydrophobicContact CG2-CD2 3.53Å
153A95.4Very high91.1Very high1 Ų146.3 Ų46.31%0.00825%0.254CS..  trans-105.4100-175.400000111.7T124 I158 I163 Y174T124-A153 VanDerWaalsContact O-CA 3.27Å; T124-A153 WeakPolarHBondContact O-CA 3.39Å; A153-I158 HydrophobicContact CB-CD1 4.15Å; A153-I158 HydrophobicContact CB-CG2 4Å; A153-I158 WeakPolarHBondContact O-CD1 3.41Å; A153-I163 HydrophobicContact CB-CD1 3.95Å; A153-I163 HydrophobicContact CB-CG1 4.15Å; A153-I163 HydrophobicContact CB-CG2 4.28Å; A153-Y174 PolarHBondContact N-O 3.36Å
154Y94.2Very high90.7Very high5 Ų545.4 Ų45.42%0.0225%0.25CC..  trans-121133.9172.5-52.9-29.4000111T36 Y37 T40 D125 V152 E176 V179T36-Y154 HydrophobicContact CG2-CD2 3.84Å; T36-Y154 HydrophobicContact CG2-CE2 3.69Å; Y37-Y154 AromaticContact CD1-CD2 3.31Å; Y37-Y154 HydrophobicContact CD1-CD2 3.31Å; Y37-Y154 AromaticContact CD1-CE2 3.75Å; Y37-Y154 HydrophobicContact CD1-CE2 3.75Å; Y37-Y154 HydrophobicContact CD1-CG 4.2Å; Y37-Y154 AromaticContact CE1-CD2 3.23Å; Y37-Y154 HydrophobicContact CE1-CD2 3.23Å; Y37-Y154 AromaticContact CE1-CE2 3.96Å; Y37-Y154 HydrophobicContact CE1-CE2 3.96Å; Y37-Y154 AromaticContact CE1-CG 3.65Å; Y37-Y154 HydrophobicContact CE1-CG 3.65Å; Y37-Y154 HydrophobicContact CG-CD2 4.13Å; Y37-Y154 AromaticContact CZ-CD2 3.99Å; Y37-Y154 WeakPolarHBondContact OH-CA 3.49Å; Y37-Y154 PolarHBondContact OH-N 3.49Å; Y37-Y154 PolarHBondContact OH-O 3.24Å; T40-Y154 WeakPolarHBondContact OG1-CE2 3.44Å; T40-Y154 PolarHBondContact OG1-OH 3.14Å; T40-Y154 VanDerWaalsContact OG1-OH 3.05Å; D125-Y154 WeakPolarHBondContact CB-O 3.28Å; V152-Y154 HydrophobicContact CG1-CD1 4.07Å; V152-Y154 HydrophobicContact CG1-CD2 4.08Å; V152-Y154 HydrophobicContact CG1-CE1 3.52Å; V152-Y154 HydrophobicContact CG1-CE2 3.55Å; V152-Y154 HydrophobicContact CG1-CG 4.31Å; Y154-E176 HydrophobicContact CD1-CG 3.77Å; Y154-E176 HydrophobicContact CE1-CB 4.49Å; Y154-E176 HydrophobicContact CE1-CG 3.77Å; Y154-E176 HydrophobicContact CG-CG 4.44Å; Y154-V179 VanDerWaalsContact OH-CG2 3.29Å; Y154-V179 WeakPolarHBondContact OH-CG2 3.42Å
155G89.1Confident90.5Very high15 Ų1542.5 Ų42.516%0.15523%0.228CC..SBendtrans171.1160.2177.500000110.1S157G155-S157 VanDerWaalsContact C-N 3.26Å
156D83.5Confident90.8Very high127 Ų12740.3 Ų40.368%0.67922%0.217SC*.SBendtrans-72.9-25.6174.8-64-28.8000111.5
157S86Confident90.7Very high91 Ų9132.8 Ų32.864%0.63618%0.177SC*.SBendtrans-135.776.3178.6-64.30000110.3N127 G155 Y159N127-S157 PolarHBondContact ND2-O 3.25Å; G155-S157 VanDerWaalsContact C-N 3.26Å; S157-Y159 PolarHBondContact O-N 2.85Å
158I88.8Confident90.2Very high42 Ų4236.9 Ų36.922%0.21519%0.191CC..  trans-69.1126.4178.7-62.1165.6000110.1D125 A153 W160 I163D125-I158 CarbonylContact O-C 3.58Å; D125-I158 VanDerWaalsContact O-CA 3.28Å; D125-I158 WeakPolarHBondContact O-CA 3.17Å; A153-I158 HydrophobicContact CB-CD1 4.15Å; A153-I158 HydrophobicContact CB-CG2 4Å; A153-I158 WeakPolarHBondContact O-CD1 3.41Å; I158-W160 HydrophobicContact CG2-CD2 4.14Å; I158-W160 HydrophobicContact CG2-CG 4.35Å; I158-W160 HydrophobicContact CG2-CZ2 4.38Å; I158-W160 PolarHBondContact O-N 2.91Å; I158-I163 HydrophobicContact CG2-CD1 4.48Å; I158-I163 HydrophobicContact CG2-CG1 3.82Å
159Y89.3Confident89.4Confident108 Ų10835.1 Ų35.142%0.42418%0.184SC..  trans-90.186.5173.9-174.5-113.3000110.8D125 G126 W132 S157 P161 E162 I163D125-Y159 PolarHBondContact O-N 3.13Å; G126-Y159 WeakPolarHBondContact O-CB 3.35Å; G126-Y159 WeakPolarHBondContact O-CD1 3.3Å; W132-Y159 HydrophobicContact CZ3-CE1 4.18Å; S157-Y159 PolarHBondContact O-N 2.85Å; Y159-P161 VanDerWaalsContact C-CD 3.41Å; Y159-P161 HydrophobicContact CD1-CB 4.43Å; Y159-P161 HydrophobicContact CD2-CG 4.29Å; Y159-P161 HydrophobicContact CE1-CB 3.78Å; Y159-P161 HydrophobicContact CE1-CG 4.12Å; Y159-P161 HydrophobicContact CE2-CB 4.31Å; Y159-P161 HydrophobicContact CE2-CG 3.74Å; Y159-E162 HydrophobicContact CD1-CB 3.75Å; Y159-E162 HydrophobicContact CE1-CB 4.23Å; Y159-E162 PolarHBondContact O-N 3.48Å; Y159-I163 PolarHBondContact O-N 2.98Å
160W89Confident87.9Confident84 Ų8436.1 Ų36.132%0.31819%0.189SC..Hα-helixtrans-52.6-38.5-176.6-76.5106.7000116.1I158 E162 I163 E164 A173 T175I158-W160 HydrophobicContact CG2-CD2 4.14Å; I158-W160 HydrophobicContact CG2-CG 4.35Å; I158-W160 HydrophobicContact CG2-CZ2 4.38Å; I158-W160 PolarHBondContact O-N 2.91Å; W160-E162 VanDerWaalsContact C-N 3.26Å; W160-E162 PolarHBondContact O-N 2.74Å; W160-I163 HydrophobicContact CE3-CB 3.96Å; W160-I163 HydrophobicContact CE3-CG1 4.41Å; W160-I163 HydrophobicContact CE3-CG2 3.82Å; W160-I163 HydrophobicContact CZ3-CB 4.38Å; W160-I163 HydrophobicContact CZ3-CG2 3.74Å; W160-I163 WeakPolarHBondContact O-CA 3.45Å; W160-I163 WeakPolarHBondContact O-CB 3.37Å; W160-I163 PolarHBondContact O-N 2.83Å; W160-E164 WeakPolarHBondContact O-CG 3.46Å; W160-E164 PolarHBondContact O-N 3.39Å; W160-A173 HydrophobicContact CH2-CB 4.45Å; W160-A173 HydrophobicContact CZ3-CB 3.82Å; W160-T175 HydrophobicContact CH2-CG2 3.64Å; W160-T175 HydrophobicContact CZ2-CG2 3.78Å
161P86.6Confident86.7Confident51 Ų5138.1 Ų38.133%0.33120%0.203SC..Hα-helixtrans-55.9-40.3179.1-28.536.3000113.1W132 Y159 V165W132-P161 HydrophobicContact CH2-CB 4.16Å; W132-P161 WeakPolarHBondContact CH2-O 3.3Å; Y159-P161 VanDerWaalsContact C-CD 3.41Å; Y159-P161 HydrophobicContact CD1-CB 4.43Å; Y159-P161 HydrophobicContact CD2-CG 4.29Å; Y159-P161 HydrophobicContact CE1-CB 3.78Å; Y159-P161 HydrophobicContact CE1-CG 4.12Å; Y159-P161 HydrophobicContact CE2-CB 4.31Å; Y159-P161 HydrophobicContact CE2-CG 3.74Å; P161-V165 WeakPolarHBondContact O-CG2 3.31Å; P161-V165 PolarHBondContact O-N 3.3Å
162E87.5Confident86.2Confident4 Ų439 Ų392%0.01921%0.209CC..Hα-helixtrans-69.6-41.1175.5-178170151.400111.8T97 G126 S128 W132 V135 Y159 W160 E164 V165 Y166T97-E162 WeakPolarHBondContact CB-OE1 3.4Å; T97-E162 PolarHBondContact OG1-OE1 3.32Å; G126-E162 WeakPolarHBondContact O-CB 3.4Å; G126-E162 VanDerWaalsContact O-CD 3.26Å; S128-E162 VanDerWaalsContact CB-OE1 3.24Å; S128-E162 WeakPolarHBondContact CB-OE1 3.23Å; S128-E162 WeakPolarHBondContact CB-OE2 3.41Å; S128-E162 PolarHBondContact N-OE2 3.19Å; S128-E162 PolarHBondContact OG-OE1 3.22Å; S128-E162 PolarHBondContact OG-OE2 2.76Å; W132-E162 HydrophobicContact CH2-CB 4.39Å; W132-E162 HydrophobicContact CZ3-CB 4.02Å; V135-E162 HydrophobicContact CG1-CG 3.94Å; Y159-E162 HydrophobicContact CD1-CB 3.75Å; Y159-E162 HydrophobicContact CE1-CB 4.23Å; Y159-E162 PolarHBondContact O-N 3.48Å; W160-E162 VanDerWaalsContact C-N 3.26Å; W160-E162 PolarHBondContact O-N 2.74Å; E162-E164 VanDerWaalsContact C-N 3.33Å; E162-E164 PolarHBondContact O-N 2.86Å; E162-V165 PolarHBondContact O-N 3.22Å; E162-Y166 HydrophobicContact CG-CD2 4.06Å; E162-Y166 HydrophobicContact CG-CE2 3.71Å; E162-Y166 WeakPolarHBondContact O-CD2 3.3Å; E162-Y166 PolarHBondContact O-N 3.25Å
163I89.8Confident85.7Confident0 Ų039.2 Ų39.20%021%0.211CC..Hα-helixtrans-57.3-48176.6-58.4-57000110.6T124 V151 A153 I158 Y159 W160 V165 Y166 A167 A173T124-I163 HydrophobicContact CG2-CD1 3.59Å; V151-I163 HydrophobicContact CB-CG2 4.36Å; V151-I163 HydrophobicContact CG1-CD1 3.94Å; V151-I163 HydrophobicContact CG1-CG2 3.92Å; A153-I163 HydrophobicContact CB-CD1 3.95Å; A153-I163 HydrophobicContact CB-CG1 4.15Å; A153-I163 HydrophobicContact CB-CG2 4.28Å; I158-I163 HydrophobicContact CG2-CD1 4.48Å; I158-I163 HydrophobicContact CG2-CG1 3.82Å; Y159-I163 PolarHBondContact O-N 2.98Å; W160-I163 HydrophobicContact CE3-CB 3.96Å; W160-I163 HydrophobicContact CE3-CG1 4.41Å; W160-I163 HydrophobicContact CE3-CG2 3.82Å; W160-I163 HydrophobicContact CZ3-CB 4.38Å; W160-I163 HydrophobicContact CZ3-CG2 3.74Å; W160-I163 WeakPolarHBondContact O-CA 3.45Å; W160-I163 WeakPolarHBondContact O-CB 3.37Å; W160-I163 PolarHBondContact O-N 2.83Å; I163-V165 VanDerWaalsContact C-N 3.26Å; I163-V165 PolarHBondContact O-N 3Å; I163-Y166 PolarHBondContact O-N 3.3Å; I163-A167 VanDerWaalsContact O-CB 3.27Å; I163-A167 WeakPolarHBondContact O-CB 3.49Å; I163-A167 PolarHBondContact O-N 3.16Å; I163-A173 HydrophobicContact CG2-CB 3.79Å
164E85.9Confident85.5Confident48 Ų4839.9 Ų39.922%0.22421%0.213CC..Hα-helixtrans-64.6-30.2-177.3-71.7179.2158.500113.1W160 E162 K168 G169W160-E164 WeakPolarHBondContact O-CG 3.46Å; W160-E164 PolarHBondContact O-N 3.39Å; E162-E164 VanDerWaalsContact C-N 3.33Å; E162-E164 PolarHBondContact O-N 2.86Å; E164-K168 CarbonylContact O-C 3.59Å; E164-K168 VanDerWaalsContact O-CA 3.31Å; E164-K168 WeakPolarHBondContact O-CA 3.36Å; E164-K168 PolarHBondContact O-N 3.04Å; E164-G169 WeakPolarHBondContact CA-O 3.4Å; E164-G169 PolarHBondContact O-N 3.47Å
165V88Confident85.4Confident32 Ų3240.9 Ų40.919%0.19422%0.22CC..Hα-helixtrans-65.9-46.7174.7166.80000110.5W132 V135 L136 A139 H143 P161 E162 I163W132-V165 HydrophobicContact CH2-CG2 3.76Å; W132-V165 HydrophobicContact CZ2-CG2 3.6Å; V135-V165 HydrophobicContact CG1-CB 4.41Å; V135-V165 HydrophobicContact CG1-CG1 3.96Å; L136-V165 HydrophobicContact CD2-CG1 4.04Å; L136-V165 HydrophobicContact CD2-CG2 4.04Å; A139-V165 HydrophobicContact CB-CG1 3.3Å; H143-V165 PolarHBondContact NE2-O 3.43Å; H143-V165 VanDerWaalsContact NE2-O 3.09Å; P161-V165 WeakPolarHBondContact O-CG2 3.31Å; P161-V165 PolarHBondContact O-N 3.3Å; E162-V165 PolarHBondContact O-N 3.22Å; I163-V165 VanDerWaalsContact C-N 3.26Å; I163-V165 PolarHBondContact O-N 3Å
166Y94.2Very high85.3Confident0 Ų045.4 Ų45.40%024%0.237CC..Hα-helixtrans-75.2-30.9176.8-66.3-62000113.4T97 A98 V101 L122 V135 A138 A139 L142 H143 V149 E162 I163T97-Y166 HydrophobicContact CG2-CD2 4.34Å; T97-Y166 HydrophobicContact CG2-CE2 3.57Å; A98-Y166 WeakPolarHBondContact CA-OH 3.41Å; V101-Y166 HydrophobicContact CB-CE1 4.23Å; V101-Y166 HydrophobicContact CG1-CE1 4.16Å; V101-Y166 HydrophobicContact CG2-CD1 4.15Å; V101-Y166 HydrophobicContact CG2-CE1 3.72Å; L122-Y166 HydrophobicContact CD2-CD1 4.39Å; L122-Y166 HydrophobicContact CD2-CD2 3.71Å; L122-Y166 HydrophobicContact CD2-CE2 4.26Å; L122-Y166 HydrophobicContact CD2-CG 3.77Å; V135-Y166 HydrophobicContact CG1-CE2 3.94Å; A138-Y166 HydrophobicContact CB-CE1 4.12Å; A139-Y166 HydrophobicContact CB-CD1 3.73Å; A139-Y166 HydrophobicContact CB-CE1 3.9Å; L142-Y166 HydrophobicContact CD2-CD1 4.05Å; H143-Y166 PolarHBondContact CE1-O 2.57Å; H143-Y166 PolarHBondContact NE2-O 3.17Å; V149-Y166 WeakPolarHBondContact CG1-O 3.34Å; E162-Y166 HydrophobicContact CG-CD2 4.06Å; E162-Y166 HydrophobicContact CG-CE2 3.71Å; E162-Y166 WeakPolarHBondContact O-CD2 3.3Å; E162-Y166 PolarHBondContact O-N 3.25Å; I163-Y166 PolarHBondContact O-N 3.3Å
167A87.6Confident85.4Confident1 Ų148.3 Ų48.31%0.00824%0.243CC..Hα-helixtrans-89.20.517900000113.9V151 I163 G169 S172 A173V151-A167 HydrophobicContact CB-CB 4.16Å; V151-A167 HydrophobicContact CG2-CB 3.75Å; I163-A167 VanDerWaalsContact O-CB 3.27Å; I163-A167 WeakPolarHBondContact O-CB 3.49Å; I163-A167 PolarHBondContact O-N 3.16Å; A167-G169 VanDerWaalsContact C-N 3.31Å; A167-G169 CarbonylContact C-O 2.78Å; A167-G169 WeakPolarHBondContact CB-O 3.41Å; A167-G169 PolarHBondContact O-N 3.32Å; A167-S172 VanDerWaalsContact CA-OG 3.25Å; A167-S172 WeakPolarHBondContact CA-OG 3.19Å; A167-S172 WeakPolarHBondContact CB-OG 3.24Å; A167-S172 PolarHBondContact O-OG 2.78Å; A167-A173 HydrophobicContact CB-CB 4.02Å
168K82.3Confident85.4Confident105 Ų10545 Ų4546%0.45722%0.219SC..THydrogen-bonded Turntrans51.950-176.2-164.1-178.9174.9-175.40111.2E164E164-K168 CarbonylContact O-C 3.59Å; E164-K168 VanDerWaalsContact O-CA 3.31Å; E164-K168 WeakPolarHBondContact O-CA 3.36Å; E164-K168 PolarHBondContact O-N 3.04Å
169G73.3Confident85.4Confident7 Ų743.7 Ų43.77%0.07221%0.212CC..THydrogen-bonded Turntrans103.6-153.3-167.500000111E164 A167E164-G169 WeakPolarHBondContact CA-O 3.4Å; E164-G169 PolarHBondContact O-N 3.47Å; A167-G169 VanDerWaalsContact C-N 3.31Å; A167-G169 CarbonylContact C-O 2.78Å; A167-G169 WeakPolarHBondContact CB-O 3.41Å; A167-G169 PolarHBondContact O-N 3.32Å
170N64.8Low85.2Confident36 Ų3643.4 Ų43.419%0.19322%0.215CC..THydrogen-bonded Turntrans-105.7-6.7-179.479.51.8000114.7S172 A173 L362N170-S172 PolarHBondContact O-N 3.46Å; N170-A173 WeakPolarHBondContact O-CB 3.36Å; N170-A173 PolarHBondContact O-N 2.88Å; N170-L362 WeakPolarHBondContact ND2-CB 3.42Å; N170-L362 WeakPolarHBondContact OD1-CB 3.44Å; N170-L362 PolarHBondContact OD1-N 2.67Å; N170-L362 PolarHBondContact OD1-O 3.34Å
171S71Confident85Confident43 Ų4343.3 Ų43.330%0.30122%0.218SC..THydrogen-bonded Turntrans-62.9-25.6-174.765.90000114.6
172S85.3Confident85Confident19 Ų1940.9 Ų40.913%0.13320%0.203CC..THydrogen-bonded Turntrans-111.620.3173.773.20000112.9V149 V151 A167 N170 Y174V149-S172 VanDerWaalsContact O-CB 3.23Å; V149-S172 WeakPolarHBondContact O-CB 3.48Å; V149-S172 PolarHBondContact O-OG 2.89Å; V151-S172 PolarHBondContact N-O 2.85Å; A167-S172 VanDerWaalsContact CA-OG 3.25Å; A167-S172 WeakPolarHBondContact CA-OG 3.19Å; A167-S172 WeakPolarHBondContact CB-OG 3.24Å; A167-S172 PolarHBondContact O-OG 2.78Å; N170-S172 PolarHBondContact O-N 3.46Å; S172-Y174 WeakPolarHBondContact O-CD2 3.35Å; S172-Y174 VanDerWaalsContact O-CE2 3.3Å; S172-Y174 WeakPolarHBondContact O-CE2 3.45Å
173A88.3Confident84.9Confident5 Ų541.3 Ų41.34%0.04120%0.204CC..EExtended strand (participates in β ladder)trans-100.6129.717400000110.8V151 W160 I163 A167 N170 N178V151-A173 CarbonylContact O-C 3.53Å; V151-A173 VanDerWaalsContact O-CA 3.31Å; V151-A173 WeakPolarHBondContact O-CA 3.19Å; W160-A173 HydrophobicContact CH2-CB 4.45Å; W160-A173 HydrophobicContact CZ3-CB 3.82Å; I163-A173 HydrophobicContact CG2-CB 3.79Å; A167-A173 HydrophobicContact CB-CB 4.02Å; N170-A173 WeakPolarHBondContact O-CB 3.36Å; N170-A173 PolarHBondContact O-N 2.88Å; A173-N178 PolarHBondContact O-ND2 3.41Å
174Y91.8Very high84.5Confident15 Ų1542.9 Ų42.96%0.05922%0.22CC..EExtended strand (participates in β ladder)trans-125.6123.1-172.9-57.2-84.3000110.4A150 V151 V152 A153 S172 N178 Q181 L182 L185A150-Y174 HydrophobicContact CB-CD2 4.09Å; A150-Y174 HydrophobicContact CB-CE2 3.69Å; V151-Y174 PolarHBondContact O-N 2.84Å; V152-Y174 CarbonylContact C-O 3.58Å; V152-Y174 VanDerWaalsContact CA-O 3.26Å; V152-Y174 WeakPolarHBondContact CA-O 3.39Å; A153-Y174 PolarHBondContact N-O 3.36Å; S172-Y174 WeakPolarHBondContact O-CD2 3.35Å; S172-Y174 VanDerWaalsContact O-CE2 3.3Å; S172-Y174 WeakPolarHBondContact O-CE2 3.45Å; Y174-N178 WeakPolarHBondContact CA-OD1 3.22Å; Y174-Q181 HydrophobicContact CD1-CB 4.44Å; Y174-Q181 HydrophobicContact CE1-CB 4.02Å; Y174-L182 HydrophobicContact CD1-CB 3.78Å; Y174-L182 HydrophobicContact CD2-CB 4.05Å; Y174-L182 HydrophobicContact CD2-CD1 4.21Å; Y174-L182 HydrophobicContact CD2-CD2 4.28Å; Y174-L182 HydrophobicContact CD2-CG 4.42Å; Y174-L182 HydrophobicContact CE1-CB 3.85Å; Y174-L182 HydrophobicContact CE2-CB 4.14Å; Y174-L182 HydrophobicContact CE2-CD1 3.86Å; Y174-L182 HydrophobicContact CE2-CG 4.46Å; Y174-L182 HydrophobicContact CG-CB 3.87Å; Y174-L185 WeakPolarHBondContact OH-CD2 3.3Å
175T91.8Very high84.3Confident26 Ų2643.4 Ų43.416%0.1622%0.224CC..  trans-108.4178.5173.5670000109.5W160 K177 N178 V179W160-T175 HydrophobicContact CH2-CG2 3.64Å; W160-T175 HydrophobicContact CZ2-CG2 3.78Å; T175-K177 PolarHBondContact O-N 2.84Å; T175-K177 PolarHBondContact OG1-N 3.44Å; T175-N178 PolarHBondContact N-OD1 2.84Å; T175-N178 PolarHBondContact O-N 2.91Å; T175-N178 PolarHBondContact O-OD1 3.16Å; T175-N178 PolarHBondContact OG1-OD1 2.06Å; T175-V179 WeakPolarHBondContact O-CB 3.45Å; T175-V179 PolarHBondContact O-N 3.33Å
176E87.4Confident84.2Confident109 Ų10942 Ų4251%0.50922%0.215SC..THydrogen-bonded Turntrans-55.4-22.2175.1-64.6177.9-162.100112.7K33 Y154K33-E176 IonicContact NZ-OE1 2.87Å; K33-E176 PolarHBondContact NZ-OE1 3.42Å; K33-E176 IonicContact NZ-OE2 2.68Å; Y154-E176 HydrophobicContact CD1-CG 3.77Å; Y154-E176 HydrophobicContact CE1-CB 4.49Å; Y154-E176 HydrophobicContact CE1-CG 3.77Å; Y154-E176 HydrophobicContact CG-CG 4.44Å
177K85.7Confident83.5Confident188 Ų18845.7 Ų45.782%0.81723%0.234SC*.THydrogen-bonded Turntrans-76.8-28.1179.2-61.6179.2-178.21730113.8T175T175-K177 PolarHBondContact O-N 2.84Å; T175-K177 PolarHBondContact OG1-N 3.44Å
178N85.3Confident83Confident23 Ų2350.5 Ų50.512%0.12326%0.259CS..THydrogen-bonded Turntrans-134.97.8-171.868.7-30.8000114.9A173 Y174 T175 E180 Q181 S358A173-N178 PolarHBondContact O-ND2 3.41Å; Y174-N178 WeakPolarHBondContact CA-OD1 3.22Å; T175-N178 PolarHBondContact N-OD1 2.84Å; T175-N178 PolarHBondContact O-N 2.91Å; T175-N178 PolarHBondContact O-OD1 3.16Å; T175-N178 PolarHBondContact OG1-OD1 2.06Å; N178-E180 PolarHBondContact O-N 2.9Å; N178-E180 VanDerWaalsContact O-N 3.1Å; N178-Q181 HydrophobicContact CB-CG 4.48Å; N178-Q181 VanDerWaalsContact O-CB 3.29Å; N178-Q181 WeakPolarHBondContact O-CB 3.39Å; N178-Q181 WeakPolarHBondContact O-CG 3.36Å; N178-Q181 PolarHBondContact O-N 2.75Å; N178-S358 WeakPolarHBondContact CB-OG 3.36Å
179V88.4Confident82.8Confident13 Ų1347.1 Ų47.18%0.07925%0.246CC..Hα-helixtrans-57.3-25.9178.269.50000113.8T40 Y154 T175 Q181 L182 Y183T40-V179 HydrophobicContact CG2-CG2 4.08Å; Y154-V179 VanDerWaalsContact OH-CG2 3.29Å; Y154-V179 WeakPolarHBondContact OH-CG2 3.42Å; T175-V179 WeakPolarHBondContact O-CB 3.45Å; T175-V179 PolarHBondContact O-N 3.33Å; V179-Q181 PolarHBondContact O-N 3.41Å; V179-L182 HydrophobicContact CG2-CD2 4.45Å; V179-L182 VanDerWaalsContact O-CB 3.3Å; V179-L182 WeakPolarHBondContact O-CB 3.35Å; V179-L182 PolarHBondContact O-N 3.01Å; V179-Y183 HydrophobicContact CG1-CE2 4.26Å; V179-Y183 HydrophobicContact CG2-CE1 4.16Å; V179-Y183 HydrophobicContact CG2-CE2 4.19Å; V179-Y183 PolarHBondContact O-N 3.32Å
180E84.7Confident82.9Confident102 Ų10246.8 Ų46.848%0.47724%0.242SC..Hα-helixtrans-58.5-29.1173.8-64.3-62.4143.700113R43 N178 Y183 G184R43-E180 IonicContact CZ-OE1 3.06Å; R43-E180 VanDerWaalsContact CZ-OE1 3.28Å; R43-E180 IonicContact CZ-OE2 2.69Å; R43-E180 IonicContact NH1-OE1 2.68Å; R43-E180 PolarHBondContact NH1-OE1 2.88Å; R43-E180 IonicContact NH1-OE2 3.15Å; R43-E180 IonicContact NH2-OE1 3.07Å; R43-E180 PolarHBondContact NH2-OE1 2.67Å; R43-E180 IonicContact NH2-OE2 3.39Å; R43-E180 PolarHBondContact NH2-OE2 3.25Å; N178-E180 PolarHBondContact O-N 2.9Å; N178-E180 VanDerWaalsContact O-N 3.1Å; E180-Y183 PolarHBondContact O-N 2.67Å; E180-G184 PolarHBondContact O-N 3Å
181Q85.1Confident82.9Confident83 Ų8346.2 Ų46.239%0.38825%0.245SC..Hα-helixtrans-68.4-35.9176.3-60175.12.800111.7Y174 N178 V179 Y183 G184 L185Y174-Q181 HydrophobicContact CD1-CB 4.44Å; Y174-Q181 HydrophobicContact CE1-CB 4.02Å; N178-Q181 HydrophobicContact CB-CG 4.48Å; N178-Q181 VanDerWaalsContact O-CB 3.29Å; N178-Q181 WeakPolarHBondContact O-CB 3.39Å; N178-Q181 WeakPolarHBondContact O-CG 3.36Å; N178-Q181 PolarHBondContact O-N 2.75Å; V179-Q181 PolarHBondContact O-N 3.41Å; Q181-Y183 VanDerWaalsContact C-N 3.3Å; Q181-Y183 PolarHBondContact O-N 3.1Å; Q181-G184 PolarHBondContact O-N 3.3Å; Q181-L185 WeakPolarHBondContact O-CB 3.42Å; Q181-L185 PolarHBondContact O-N 2.85Å
182L87.3Confident82.2Confident0 Ų050.8 Ų50.80%026%0.259CS..Hα-helixtrans-61-42.5174173.761.1000110.8A150 V152 Y174 V179 L185 L186A150-L182 HydrophobicContact CB-CD1 3.45Å; A150-L182 VanDerWaalsContact CB-CD1 3.45Å; V152-L182 HydrophobicContact CG2-CD2 3.53Å; Y174-L182 HydrophobicContact CD1-CB 3.78Å; Y174-L182 HydrophobicContact CD2-CB 4.05Å; Y174-L182 HydrophobicContact CD2-CD1 4.21Å; Y174-L182 HydrophobicContact CD2-CD2 4.28Å; Y174-L182 HydrophobicContact CD2-CG 4.42Å; Y174-L182 HydrophobicContact CE1-CB 3.85Å; Y174-L182 HydrophobicContact CE2-CB 4.14Å; Y174-L182 HydrophobicContact CE2-CD1 3.86Å; Y174-L182 HydrophobicContact CE2-CG 4.46Å; Y174-L182 HydrophobicContact CG-CB 3.87Å; V179-L182 HydrophobicContact CG2-CD2 4.45Å; V179-L182 VanDerWaalsContact O-CB 3.3Å; V179-L182 WeakPolarHBondContact O-CB 3.35Å; V179-L182 PolarHBondContact O-N 3.01Å; L182-L185 PolarHBondContact O-N 3.42Å; L182-L186 HydrophobicContact CD1-CD1 3.75Å; L182-L186 HydrophobicContact CD1-CD2 4.49Å; L182-L186 HydrophobicContact CD1-CG 3.88Å; L182-L186 HydrophobicContact CG-CD1 4.13Å; L182-L186 HydrophobicContact CG-CG 4.49Å; L182-L186 WeakPolarHBondContact O-CG 3.36Å; L182-L186 PolarHBondContact O-N 3.43Å
183Y85.4Confident80.4Confident13 Ų1354.4 Ų54.45%0.05128%0.277CS..Hα-helixtrans-63.6-43.9179.3-58.6-31.9000112.3T40 R43 L44 M47 V179 E180 Q181 L186 M187T40-Y183 WeakPolarHBondContact CA-OH 3.38Å; T40-Y183 HydrophobicContact CG2-CE1 4.19Å; R43-Y183 HydrophobicContact CB-CE1 4.35Å; R43-Y183 HydrophobicContact CG-CE1 4.33Å; R43-Y183 HydrophobicContact CG-CE2 4.2Å; L44-Y183 HydrophobicContact CD2-CD1 3.52Å; L44-Y183 HydrophobicContact CD2-CE1 3.79Å; L44-Y183 HydrophobicContact CG-CD1 4.2Å; L44-Y183 HydrophobicContact CG-CE1 3.95Å; M47-Y183 VanDerWaalsContact CE-CB 3.42Å; M47-Y183 HydrophobicContact CE-CD1 3.29Å; M47-Y183 HydrophobicContact CE-CD2 4.14Å; M47-Y183 HydrophobicContact CE-CE1 4Å; M47-Y183 HydrophobicContact CE-CG 3.35Å; M47-Y183 HydrophobicContact SD-CG 4.2Å; V179-Y183 HydrophobicContact CG1-CE2 4.26Å; V179-Y183 HydrophobicContact CG2-CE1 4.16Å; V179-Y183 HydrophobicContact CG2-CE2 4.19Å; V179-Y183 PolarHBondContact O-N 3.32Å; E180-Y183 PolarHBondContact O-N 2.67Å; Q181-Y183 VanDerWaalsContact C-N 3.3Å; Q181-Y183 PolarHBondContact O-N 3.1Å; Y183-L186 PolarHBondContact O-N 3.45Å; Y183-M187 WeakPolarHBondContact O-CB 3.25Å; Y183-M187 WeakPolarHBondContact O-CG 3.06Å; Y183-M187 PolarHBondContact O-N 3.43Å
184G80Confident78.5Confident32 Ų3257 Ų5733%0.3330%0.295SS..Hα-helixtrans-59-52173.700000111.6E180 Q181 L186 M187 D188E180-G184 PolarHBondContact O-N 3Å; Q181-G184 PolarHBondContact O-N 3.3Å; G184-L186 VanDerWaalsContact C-N 3.34Å; G184-L186 PolarHBondContact O-N 3.2Å; G184-M187 PolarHBondContact O-N 3.15Å; G184-M187 VanDerWaalsContact O-N 3.16Å; G184-D188 VanDerWaalsContact O-CG 3.31Å; G184-D188 PolarHBondContact O-N 3.39Å
185L82.9Confident76.2Confident60 Ų6060.5 Ų60.531%0.31433%0.326SS..Hα-helixtrans-53-49.4178.2175.464.6000112.1I148 Y174 Q181 L182 D188 L189I148-L185 HydrophobicContact CG2-CD2 4.48Å; Y174-L185 WeakPolarHBondContact OH-CD2 3.3Å; Q181-L185 WeakPolarHBondContact O-CB 3.42Å; Q181-L185 PolarHBondContact O-N 2.85Å; L182-L185 PolarHBondContact O-N 3.42Å; L185-D188 PolarHBondContact O-N 3.14Å; L185-L189 HydrophobicContact CD1-CD1 3.81Å; L185-L189 HydrophobicContact CD1-CG 4.3Å; L185-L189 HydrophobicContact CG-CD1 3.8Å; L185-L189 WeakPolarHBondContact O-CB 3.48Å; L185-L189 WeakPolarHBondContact O-CD1 3.35Å; L185-L189 WeakPolarHBondContact O-CG 3.38Å; L185-L189 PolarHBondContact O-N 3.29Å; L185-L189 VanDerWaalsContact O-N 3.1Å
186L85Confident73.7Confident1 Ų166.4 Ų66.41%0.00536%0.357CS..Hα-helixtrans-71.9-30.9-177.1-64.1-175.7000113L44 L48 I119 V121 L182 Y183 G184 L189 T190L44-L186 HydrophobicContact CD1-CD1 4.38Å; L44-L186 HydrophobicContact CD2-CD1 3.49Å; L44-L186 VanDerWaalsContact CD2-CD1 3.49Å; L48-L186 HydrophobicContact CD2-CB 3.78Å; L48-L186 WeakPolarHBondContact CD2-O 3.44Å; I119-L186 HydrophobicContact CD1-CD2 3.61Å; I119-L186 HydrophobicContact CG1-CD2 4.48Å; I119-L186 HydrophobicContact CG2-CD2 3.46Å; I119-L186 VanDerWaalsContact CG2-CD2 3.46Å; V121-L186 HydrophobicContact CG2-CD1 4.2Å; L182-L186 HydrophobicContact CD1-CD1 3.75Å; L182-L186 HydrophobicContact CD1-CD2 4.49Å; L182-L186 HydrophobicContact CD1-CG 3.88Å; L182-L186 HydrophobicContact CG-CD1 4.13Å; L182-L186 HydrophobicContact CG-CG 4.49Å; L182-L186 WeakPolarHBondContact O-CG 3.36Å; L182-L186 PolarHBondContact O-N 3.43Å; Y183-L186 PolarHBondContact O-N 3.45Å; G184-L186 VanDerWaalsContact C-N 3.34Å; G184-L186 PolarHBondContact O-N 3.2Å; L186-L189 HydrophobicContact CD2-CD1 4.08Å; L186-L189 PolarHBondContact O-N 3.03Å; L186-T190 WeakPolarHBondContact O-CB 3.46Å; L186-T190 WeakPolarHBondContact O-CG2 3.31Å; L186-T190 PolarHBondContact O-N 2.79Å; L186-T190 PolarHBondContact O-OG1 2.63Å
187M79.2Confident71.5Confident79 Ų7965.5 Ų65.539%0.38936%0.361SS..Hα-helixtrans-64.8-44.8171.5-80.5-65.9-65.600111.8M47 Y183 G184 L189 T190 G191M47-M187 HydrophobicContact CB-CG 4.22Å; M47-M187 HydrophobicContact CB-SD 3.71Å; Y183-M187 WeakPolarHBondContact O-CB 3.25Å; Y183-M187 WeakPolarHBondContact O-CG 3.06Å; Y183-M187 PolarHBondContact O-N 3.43Å; G184-M187 PolarHBondContact O-N 3.15Å; G184-M187 VanDerWaalsContact O-N 3.16Å; M187-L189 PolarHBondContact O-N 3.39Å; M187-T190 PolarHBondContact O-N 3.17Å; M187-G191 WeakPolarHBondContact O-CA 3.45Å; M187-G191 PolarHBondContact O-N 3.06Å
188D77.5Confident69.3Low102 Ų10262.3 Ų62.355%0.54536%0.359SS..Hα-helixtrans-63.6-33.9178.4-64.9-19.5000111.6G184 L185G184-D188 VanDerWaalsContact O-CG 3.31Å; G184-D188 PolarHBondContact O-N 3.39Å; L185-D188 PolarHBondContact O-N 3.14Å
189L78.3Confident67.2Low34 Ų3468.6 Ų68.618%0.17839%0.391CS..Hα-helixtrans-78.8-29.9-179.9-71.4168.1000114.7K117 I119 I148 L185 L186 M187K117-L189 HydrophobicContact CD-CD2 4.25Å; I119-L189 HydrophobicContact CD1-CB 4.25Å; I119-L189 HydrophobicContact CD1-CD1 4.15Å; I148-L189 HydrophobicContact CD1-CD1 3.37Å; I148-L189 HydrophobicContact CD1-CD2 3.52Å; I148-L189 HydrophobicContact CD1-CG 4.1Å; I148-L189 HydrophobicContact CG2-CD1 4.31Å; L185-L189 HydrophobicContact CD1-CD1 3.81Å; L185-L189 HydrophobicContact CD1-CG 4.3Å; L185-L189 HydrophobicContact CG-CD1 3.8Å; L185-L189 WeakPolarHBondContact O-CB 3.48Å; L185-L189 WeakPolarHBondContact O-CD1 3.35Å; L185-L189 WeakPolarHBondContact O-CG 3.38Å; L185-L189 PolarHBondContact O-N 3.29Å; L185-L189 VanDerWaalsContact O-N 3.1Å; L186-L189 HydrophobicContact CD2-CD1 4.08Å; L186-L189 PolarHBondContact O-N 3.03Å; M187-L189 PolarHBondContact O-N 3.39Å
190T75.8Confident65.1Low0 Ų072.5 Ų72.50%042%0.417CS..Hα-helixtrans-104-8.1-176.458.90000113.3V18 L48 P49 I119 L186 M187V18-T190 HydrophobicContact CB-CG2 3.95Å; V18-T190 HydrophobicContact CG1-CG2 3.85Å; V18-T190 HydrophobicContact CG2-CG2 3.78Å; L48-T190 HydrophobicContact CD2-CG2 3.85Å; L48-T190 WeakPolarHBondContact CD2-OG1 3.28Å; P49-T190 WeakPolarHBondContact CD-OG1 3.35Å; P49-T190 WeakPolarHBondContact CG-O 3.24Å; I119-T190 HydrophobicContact CD1-CG2 4.43Å; L186-T190 WeakPolarHBondContact O-CB 3.46Å; L186-T190 WeakPolarHBondContact O-CG2 3.31Å; L186-T190 PolarHBondContact O-N 2.79Å; L186-T190 PolarHBondContact O-OG1 2.63Å; M187-T190 PolarHBondContact O-N 3.17Å
191G64.1Low63.5Low24 Ų2476.3 Ų76.325%0.24743%0.434CS..SBendtrans-54.1160.7-178.500000113.6M187 N193M187-G191 WeakPolarHBondContact O-CA 3.45Å; M187-G191 PolarHBondContact O-N 3.06Å; G191-N193 PolarHBondContact O-N 2.98Å
192K57.1Low61.8Low138 Ų13877.8 Ų77.860%0.644%0.439SS*.EExtended strand (participates in β ladder)trans-61.2105.1176-74.1-173.9179.1-174.60108.9C13 E15 C194C13-K192 HydrophobicContact CB-CB 4.05Å; C13-K192 HydrophobicContact CB-CD 4.25Å; E15-K192 HydrophobicContact CG-CG 4.09Å; K192-C194 PolarHBondContact O-N 3.19Å
193N48.4Very low60.5Low96 Ų9678.7 Ų78.751%0.51345%0.446SS..EExtended strand (participates in β ladder)trans-67.879.6164.3-82.2-10.4000107.9S16 G191 A195S16-N193 WeakPolarHBondContact OG-CB 3.13Å; S16-N193 PolarHBondContact OG-ND2 2.89Å; G191-N193 PolarHBondContact O-N 2.98Å; N193-A195 PolarHBondContact O-N 2.68Å
194C47.6Very low59.5Low60 Ų6083.3 Ų83.341%0.40548%0.48SS..  trans-61.8127.5157-60.50000106C13 K192 D196C13-C194 HydrophobicContact CB-CB 4.07Å; C13-C194 WeakPolarHBondContact CB-SG 3.41Å; C13-C194 VanDerWaalsContact SG-CA 3.55Å; C13-C194 WeakPolarHBondContact SG-CB 3.31Å; C13-C194 CovalentContact SG-SG 2.06Å; C13-C194 PolarHBondContact SG-SG 3.47Å; K192-C194 PolarHBondContact O-N 3.19Å; C194-D196 PolarHBondContact O-N 2.85Å
195A42.8Very low59.7Low87 Ų8788 Ų8872%0.71949%0.491SS*.SBendtrans-35.1129.2-176.900000111.6N193N193-A195 PolarHBondContact O-N 2.68Å
196D40.7Very low60Low151 Ų15185.8 Ų85.881%0.80748%0.481SS*.SBendtrans-1.4108.6-167.1-64.8-33.9000113.3C194 P198C194-D196 PolarHBondContact O-N 2.85Å; D196-P198 VanDerWaalsContact O-N 3.12Å
197P40.8Very low60.3Low90 Ų9085.8 Ų85.858%0.58448%0.48SS*.  trans-49.9132.717623.5-31.3000106.5I199P197-I199 PolarHBondContact O-N 3.29Å
198P38.5Very low61.1Low121 Ų12182 Ų8279%0.78646%0.462SS*.SBendtrans-46.8119.8-176.818.9-30.9000106.3D196 P200D196-P198 VanDerWaalsContact O-N 3.12Å; P198-P200 WeakPolarHBondContact O-CA 3.27Å
199I42.8Very low62Low155 Ų15577.1 Ų77.180%0.79544%0.436SS*.SBendtrans-20.5108.7-171.1-62.2162.9000107.6P197 E201P197-I199 PolarHBondContact O-N 3.29Å; I199-E201 PolarHBondContact O-N 3.31Å
200P43.7Very low62.9Low95 Ų9575.5 Ų75.562%0.61743%0.427SS*.  trans-44.5114.4-164.1-3.1-9.3000107.1P198 K202P198-P200 WeakPolarHBondContact O-CA 3.27Å; P200-K202 WeakPolarHBondContact O-CA 3.42Å; P200-K202 PolarHBondContact O-N 3.49Å
201E49.9Very low64Low181 Ų18175.5 Ų75.585%0.84643%0.427SS*.  trans-47.8110.3-175.5-171.9178.4-153.200104.7I199 C203I199-E201 PolarHBondContact O-N 3.31Å; E201-C203 PolarHBondContact O-N 2.94Å
202K51.2Low65.6Low114 Ų11474.4 Ų74.450%0.49642%0.416SS..  trans-39.5114.1-161.3-82-177.3173.5-177.40107.9P200 S204 D242P200-K202 WeakPolarHBondContact O-CA 3.42Å; P200-K202 PolarHBondContact O-N 3.49Å; K202-S204 WeakPolarHBondContact O-CA 3.41Å; K202-S204 PolarHBondContact O-N 3.4Å; K202-D242 WeakPolarHBondContact CD-OD2 3.28Å; K202-D242 IonicContact NZ-OD1 2.69Å; K202-D242 PolarHBondContact NZ-OD1 2.81Å; K202-D242 IonicContact NZ-OD2 3.46Å; K202-D242 PolarHBondContact NZ-OD2 2.8Å
203C58.5Low67.5Low19 Ų1967.8 Ų67.813%0.12839%0.387CS..  trans-43.8108.7-169.2-170.40000107.5E201 K205 Y241 C381E201-C203 PolarHBondContact O-N 2.94Å; C203-K205 PolarHBondContact O-N 3.01Å; C203-Y241 HydrophobicContact CB-CD1 4.24Å; C203-Y241 HydrophobicContact CB-CE1 3.62Å; C203-C381 HydrophobicContact CB-CB 4.11Å; C203-C381 WeakPolarHBondContact CB-SG 3.42Å; C203-C381 WeakPolarHBondContact SG-CB 3.38Å; C203-C381 CovalentContact SG-SG 2.06Å; C203-C381 PolarHBondContact SG-SG 3.28Å
204S65.5Low69.8Low111 Ų11163.2 Ų63.278%0.77636%0.363SS*.  trans-80.9-11.3-160.439.90000112.6K202K202-S204 WeakPolarHBondContact O-CA 3.41Å; K202-S204 PolarHBondContact O-N 3.4Å
205K82.8Confident72.1Confident130 Ų13060.4 Ų60.457%0.56534%0.343SS*.SBendtrans-70.8130.7172.5-71.2-168.9179.2-179.20109.8C203 I306C203-K205 PolarHBondContact O-N 3.01Å; K205-I306 HydrophobicContact CB-CG1 4.41Å
206P89.9Confident74.5Confident14 Ų1456.2 Ų56.29%0.09131%0.309CS..  trans-62.3155.3174.1-14.626.1000112.3S243 S305 I306P206-S243 CarbonylContact C-O 3.38Å; P206-S243 VanDerWaalsContact CA-O 3.32Å; P206-S243 WeakPolarHBondContact CA-O 3.5Å; P206-S305 CarbonylContact O-C 3.59Å; P206-S305 WeakPolarHBondContact O-CA 3.43Å; P206-S305 WeakPolarHBondContact O-CB 3.07Å; P206-I306 PolarHBondContact O-N 2.57Å
207V92.1Very high76.8Confident0 Ų054.5 Ų54.50%030%0.296CS..EExtended strand (participates in β ladder)trans-116.7128.6177.3-178.10000108.7V209 Y241 S243 V244 M245 R302 I306 I308 V379V207-V209 HydrophobicContact CG1-CG2 3.86Å; V207-Y241 HydrophobicContact CG2-CD1 3.99Å; V207-Y241 HydrophobicContact CG2-CE1 4.38Å; V207-Y241 HydrophobicContact CG2-CG 4.49Å; V207-S243 PolarHBondContact N-O 3.01Å; V207-V244 HydrophobicContact CB-CG1 4.31Å; V207-V244 HydrophobicContact CB-CG2 4.41Å; V207-V244 HydrophobicContact CG1-CG1 4.48Å; V207-V244 CarbonylContact O-C 3.46Å; V207-V244 VanDerWaalsContact O-CA 3.27Å; V207-V244 WeakPolarHBondContact O-CA 3.23Å; V207-M245 PolarHBondContact O-N 2.9Å; V207-R302 PolarHBondContact O-NH2 3.45Å; V207-I306 WeakPolarHBondContact CA-O 3.4Å; V207-I306 HydrophobicContact CG2-CB 4.46Å; V207-I308 HydrophobicContact CG1-CD1 4.01Å; V207-V379 HydrophobicContact CG1-CG1 3.79Å; V207-V379 HydrophobicContact CG2-CB 4.43Å; V207-V379 HydrophobicContact CG2-CG1 3.95Å
208D94.9Very high79Confident0 Ų052.9 Ų52.90%029%0.287CS..EExtended strand (participates in β ladder)trans-118.1119.7175-67.2-23.2000109.4M245 L261 A301 R302 S305 I306 K307 I308D208-M245 CarbonylContact C-O 3.56Å; D208-M245 WeakPolarHBondContact CA-O 3.36Å; D208-L261 HydrophobicContact CB-CD1 4.3Å; D208-L261 HydrophobicContact CB-CD2 4.15Å; D208-A301 HydrophobicContact CB-CB 4.22Å; D208-A301 WeakPolarHBondContact OD2-CA 3.32Å; D208-R302 IonicContact OD1-CZ 2.79Å; D208-R302 IonicContact OD1-NE 3.43Å; D208-R302 PolarHBondContact OD1-NE 3.42Å; D208-R302 IonicContact OD1-NH2 2.91Å; D208-R302 PolarHBondContact OD1-NH2 2.56Å; D208-R302 WeakPolarHBondContact OD2-CB 3.35Å; D208-R302 PolarHBondContact OD2-N 2.68Å; D208-R302 IonicContact OD2-NE 3.63Å; D208-R302 PolarHBondContact OD2-NE 3.11Å; D208-S305 VanDerWaalsContact CG-OG 3.29Å; D208-S305 WeakPolarHBondContact OD2-CB 3.46Å; D208-S305 PolarHBondContact OD2-OG 3.24Å; D208-I306 PolarHBondContact N-O 2.68Å; D208-K307 CarbonylContact O-C 3.54Å; D208-K307 WeakPolarHBondContact O-CA 3.32Å; D208-I308 PolarHBondContact O-N 3.36Å
209V96Very high81.5Confident0 Ų047.2 Ų47.20%025%0.25CC..EExtended strand (participates in β ladder)trans-115.3119.2-175.3-175.20000109.4V207 M233 L237 V244 M245 F246 S247 I308 I310V207-V209 HydrophobicContact CG1-CG2 3.86Å; V209-M233 HydrophobicContact CG1-CE 4.41Å; V209-L237 HydrophobicContact CG2-CD1 3.8Å; V209-V244 HydrophobicContact CG2-CG1 4.46Å; V209-M245 PolarHBondContact N-O 2.91Å; V209-F246 HydrophobicContact CB-CD1 3.66Å; V209-F246 HydrophobicContact CB-CE1 3.87Å; V209-F246 HydrophobicContact CG1-CD1 4.07Å; V209-F246 HydrophobicContact CG1-CE1 4.22Å; V209-F246 HydrophobicContact CG2-CD1 4.21Å; V209-F246 HydrophobicContact CG2-CE1 3.92Å; V209-F246 CarbonylContact O-C 3.52Å; V209-F246 WeakPolarHBondContact O-CA 3.42Å; V209-S247 PolarHBondContact O-N 3.3Å; V209-I308 CarbonylContact C-O 3.47Å; V209-I308 WeakPolarHBondContact CA-O 3.37Å; V209-I308 HydrophobicContact CG1-CB 4.46Å; V209-I308 HydrophobicContact CG2-CB 4.35Å; V209-I308 HydrophobicContact CG2-CD1 4.29Å; V209-I310 HydrophobicContact CG1-CD1 3.77Å; V209-I310 HydrophobicContact CG1-CG1 4.32Å
210V98Very high83.8Confident0 Ų043.6 Ų43.60%023%0.232CC..EExtended strand (participates in β ladder)trans-97.7111.8168.5177.30000108.3V212 I249 L261 Q296 L297 I308 F309 I310V210-V212 HydrophobicContact CG1-CG2 3.99Å; V210-I249 HydrophobicContact CG1-CD1 3.99Å; V210-L261 HydrophobicContact CG2-CD2 4.14Å; V210-Q296 HydrophobicContact CG2-CB 4.03Å; V210-L297 HydrophobicContact CB-CD2 4.34Å; V210-L297 HydrophobicContact CB-CG 4.41Å; V210-L297 HydrophobicContact CG2-CD2 3.54Å; V210-L297 HydrophobicContact CG2-CG 3.74Å; V210-I308 PolarHBondContact N-O 2.88Å; V210-F309 HydrophobicContact CB-CD2 3.99Å; V210-F309 HydrophobicContact CB-CE2 4.42Å; V210-F309 HydrophobicContact CG1-CD2 3.92Å; V210-F309 HydrophobicContact CG1-CE2 3.85Å; V210-F309 CarbonylContact O-C 3.57Å; V210-F309 WeakPolarHBondContact O-CA 3.14Å; V210-I310 PolarHBondContact O-N 3.24Å
211L97.9Very high86Confident0 Ų046 Ų460%024%0.24CC..EExtended strand (participates in β ladder)trans-103.1117.6178.1179.669.6000109.3V213 A230 S247 I249 L274 I310 M312L211-V213 HydrophobicContact CD1-CG2 4.19Å; L211-V213 HydrophobicContact CD2-CG2 3.82Å; L211-V213 HydrophobicContact CG-CG2 3.64Å; L211-A230 HydrophobicContact CD2-CB 3.5Å; L211-A230 VanDerWaalsContact CD2-CB 3.5Å; L211-S247 PolarHBondContact N-O 2.86Å; L211-I249 PolarHBondContact O-N 2.86Å; L211-L274 HydrophobicContact CD2-CD2 3.79Å; L211-I310 HydrophobicContact CD1-CB 3.87Å; L211-I310 HydrophobicContact CD1-CG2 3.81Å; L211-M312 HydrophobicContact CD1-CE 3.69Å; L211-M312 HydrophobicContact CD1-CG 4.17Å; L211-M312 HydrophobicContact CD1-SD 3.87Å
212V98.2Very high88Confident0 Ų038.2 Ų38.20%021%0.205CC..EExtended strand (participates in β ladder)trans-113.1109.2179.7-172.70000108.3V210 I249 Y251 A289 F309 I310 L311 M312V210-V212 HydrophobicContact CG1-CG2 3.99Å; V212-I249 CarbonylContact C-O 3.48Å; V212-I249 WeakPolarHBondContact CA-O 3.34Å; V212-I249 HydrophobicContact CG1-CB 4.45Å; V212-I249 HydrophobicContact CG1-CG2 4.34Å; V212-I249 HydrophobicContact CG2-CB 4.33Å; V212-I249 HydrophobicContact CG2-CD1 4.06Å; V212-Y251 HydrophobicContact CG1-CD1 3.64Å; V212-Y251 HydrophobicContact CG1-CE1 3.71Å; V212-A289 HydrophobicContact CG1-CB 3.65Å; V212-F309 HydrophobicContact CB-CZ 4.43Å; V212-F309 HydrophobicContact CG2-CE1 3.93Å; V212-F309 HydrophobicContact CG2-CE2 4.05Å; V212-F309 HydrophobicContact CG2-CZ 3.47Å; V212-F309 VanDerWaalsContact CG2-CZ 3.47Å; V212-I310 PolarHBondContact N-O 3.31Å; V212-L311 HydrophobicContact CB-CD1 3.93Å; V212-L311 HydrophobicContact CG1-CD1 3.76Å; V212-M312 PolarHBondContact O-N 3.14Å
213V97.7Very high90.1Very high0 Ų033.3 Ų33.30%018%0.184CC..EExtended strand (participates in β ladder)trans-110.2117-170.7-1700000110.5L211 F223 I249 Q250 Y251 M277 M312L211-V213 HydrophobicContact CD1-CG2 4.19Å; L211-V213 HydrophobicContact CD2-CG2 3.82Å; L211-V213 HydrophobicContact CG-CG2 3.64Å; V213-F223 HydrophobicContact CG1-CE2 4.04Å; V213-I249 PolarHBondContact N-O 3.26Å; V213-Q250 WeakPolarHBondContact O-CA 3.25Å; V213-Y251 VanDerWaalsContact O-CD1 3.27Å; V213-Y251 WeakPolarHBondContact O-CD1 3.3Å; V213-Y251 PolarHBondContact O-N 2.86Å; V213-M277 HydrophobicContact CG1-CE 4.36Å; V213-M277 HydrophobicContact CG2-CE 4.34Å; V213-M312 HydrophobicContact CG1-SD 4.36Å; V213-M312 HydrophobicContact CG2-SD 4.08Å
214D96.4Very high91.8Very high0 Ų036.3 Ų36.30%020%0.203CC..EExtended strand (participates in β ladder)trans-67.1135.8172.3-163.9-14.6000110.4S216 V219 F223 Y251 T284 M312 T313D214-S216 WeakPolarHBondContact OD1-CB 3.42Å; D214-S216 PolarHBondContact OD1-N 3.38Å; D214-S216 PolarHBondContact OD1-OG 2.88Å; D214-S216 PolarHBondContact OD2-OG 2.79Å; D214-V219 HydrophobicContact CB-CG1 4.28Å; D214-V219 HydrophobicContact CB-CG2 4.19Å; D214-F223 VanDerWaalsContact O-CD2 3.28Å; D214-F223 WeakPolarHBondContact O-CD2 3.2Å; D214-F223 WeakPolarHBondContact O-CE2 3.06Å; D214-Y251 HydrophobicContact CB-CD1 4.47Å; D214-Y251 HydrophobicContact CB-CE1 3.69Å; D214-Y251 HydrophobicContact CB-CE2 4.4Å; D214-Y251 VanDerWaalsContact N-CE1 3.3Å; D214-T284 WeakPolarHBondContact OD2-CG2 3.5Å; D214-M312 WeakPolarHBondContact CB-O 3.35Å; D214-M312 PolarHBondContact N-O 3.28Å; D214-T313 WeakPolarHBondContact OD2-CB 3.39Å; D214-T313 PolarHBondContact OD2-OG1 3.18Å
215S96Very high93Very high0 Ų032.9 Ų32.90%018%0.176CC..  trans-13820-179.8-147.70000111.3F223 Q250 Y251 H279 L280 G281S215-F223 WeakPolarHBondContact OG-CE2 3.32Å; S215-F223 WeakPolarHBondContact OG-CZ 3.48Å; S215-Q250 PolarHBondContact OG-NE2 2.86Å; S215-Y251 WeakPolarHBondContact CA-O 3.45Å; S215-Y251 WeakPolarHBondContact CB-O 3.44Å; S215-Y251 PolarHBondContact N-O 2.9Å; S215-H279 PolarHBondContact O-NE2 2.99Å; S215-H279 WeakPolarHBondContact OG-CA 3.39Å; S215-L280 PolarHBondContact O-N 3.22Å; S215-L280 PolarHBondContact OG-N 3.5Å; S215-G281 WeakPolarHBondContact O-CA 3.36Å; S215-G281 PolarHBondContact O-N 3.09Å
216S92.6Very high93.6Very high0 Ų026.7 Ų26.70%015%0.149CC..SBendtrans-67.4168.8172.565.30000112.5D214 S218 V219 H279 S282 T284D214-S216 WeakPolarHBondContact OD1-CB 3.42Å; D214-S216 PolarHBondContact OD1-N 3.38Å; D214-S216 PolarHBondContact OD1-OG 2.88Å; D214-S216 PolarHBondContact OD2-OG 2.79Å; S216-S218 VanDerWaalsContact C-N 3.29Å; S216-S218 PolarHBondContact O-N 3.08Å; S216-S218 PolarHBondContact OG-OG 2.99Å; S216-V219 VanDerWaalsContact O-CG2 3.22Å; S216-V219 WeakPolarHBondContact O-CG2 3.46Å; S216-V219 PolarHBondContact O-N 3.34Å; S216-H279 PolarHBondContact O-NE2 2.98Å; S216-S282 WeakPolarHBondContact CB-O 3.48Å; S216-T284 WeakPolarHBondContact CB-OG1 3.47Å; S216-T284 PolarHBondContact OG-OG1 3.3Å
217E88.3Confident93.9Very high115 Ų11528.4 Ų28.454%0.53716%0.155SC..G310 helixtrans-59-37.5-177.2-167.562.7-158.900113.4V219 L220 S282E217-V219 PolarHBondContact O-N 2.9Å; E217-L220 WeakPolarHBondContact O-CB 3.45Å; E217-L220 PolarHBondContact O-N 3.16Å; E217-S282 PolarHBondContact N-O 2.73Å
218S88.8Confident93.9Very high56 Ų5633 Ų3339%0.39218%0.176SC..G310 helixtrans-67.9-24.6-174.559.90000113.3S216 D314S216-S218 VanDerWaalsContact C-N 3.29Å; S216-S218 PolarHBondContact O-N 3.08Å; S216-S218 PolarHBondContact OG-OG 2.99Å; S218-D314 WeakPolarHBondContact CB-OD2 3.36Å; S218-D314 PolarHBondContact OG-OD1 3.22Å; S218-D314 PolarHBondContact OG-OD2 2.9Å
219V90.2Very high93.8Very high1 Ų133 Ų331%0.00618%0.176CC..G310 helixtrans-94.49.5179.1-57.70000113.8D214 S216 E217 D221 S222 F223 Y226 D314D214-V219 HydrophobicContact CB-CG1 4.28Å; D214-V219 HydrophobicContact CB-CG2 4.19Å; S216-V219 VanDerWaalsContact O-CG2 3.22Å; S216-V219 WeakPolarHBondContact O-CG2 3.46Å; S216-V219 PolarHBondContact O-N 3.34Å; E217-V219 PolarHBondContact O-N 2.9Å; V219-D221 VanDerWaalsContact C-N 3.28Å; V219-D221 PolarHBondContact O-N 3.34Å; V219-S222 CarbonylContact O-C 2.86Å; V219-S222 PolarHBondContact O-N 3.13Å; V219-F223 WeakPolarHBondContact O-CB 3.18Å; V219-F223 PolarHBondContact O-N 3.5Å; V219-Y226 HydrophobicContact CB-CE2 3.85Å; V219-Y226 HydrophobicContact CG1-CE2 3.84Å; V219-Y226 HydrophobicContact CG2-CE2 4.36Å; V219-D314 HydrophobicContact CG1-CB 3.89Å; V219-D314 VanDerWaalsContact CG1-CG 3.46Å
220L90.6Very high93.8Very high80 Ų8033 Ų3342%0.41918%0.176SC..THydrogen-bonded Turntrans-48.5-48-177.2176.963.1000112.8E217 H279E217-L220 WeakPolarHBondContact O-CB 3.45Å; E217-L220 PolarHBondContact O-N 3.16Å; L220-H279 HydrophobicContact CD1-CB 4.41Å
221D91.1Very high93.6Very high146 Ų14634.1 Ų34.178%0.78118%0.182SC*.THydrogen-bonded Turntrans-74.1-27.3-179-67.2-33.2000113V219V219-D221 VanDerWaalsContact C-N 3.28Å; V219-D221 PolarHBondContact O-N 3.34Å
222S92.1Very high93.3Very high17 Ų1736.9 Ų36.912%0.11919%0.194CC..THydrogen-bonded Turntrans-93.1-14.7-178.8-63.40000113.7V219 P224 L225 Y226 G344V219-S222 CarbonylContact O-C 2.86Å; V219-S222 PolarHBondContact O-N 3.13Å; S222-P224 VanDerWaalsContact C-CD 3.46Å; S222-L225 WeakPolarHBondContact O-CA 3.18Å; S222-L225 VanDerWaalsContact O-CB 3.29Å; S222-L225 WeakPolarHBondContact O-CB 3.34Å; S222-L225 PolarHBondContact O-N 2.84Å; S222-Y226 PolarHBondContact O-N 3.18Å; S222-G344 VanDerWaalsContact OG-CA 3.25Å; S222-G344 WeakPolarHBondContact OG-CA 3.19Å; S222-G344 PolarHBondContact OG-N 3.47Å
223F94.3Very high93Very high10 Ų1037 Ų374%0.04420%0.195CC..Hα-helixtrans-57.8-38.9-178.4-171-110.3000113.4V213 D214 S215 V219 L225 Y226 K227 M277 H279V213-F223 HydrophobicContact CG1-CE2 4.04Å; D214-F223 VanDerWaalsContact O-CD2 3.28Å; D214-F223 WeakPolarHBondContact O-CD2 3.2Å; D214-F223 WeakPolarHBondContact O-CE2 3.06Å; S215-F223 WeakPolarHBondContact OG-CE2 3.32Å; S215-F223 WeakPolarHBondContact OG-CZ 3.48Å; V219-F223 WeakPolarHBondContact O-CB 3.18Å; V219-F223 PolarHBondContact O-N 3.5Å; F223-L225 VanDerWaalsContact C-N 3.27Å; F223-L225 PolarHBondContact O-N 3.44Å; F223-Y226 PolarHBondContact O-N 3.32Å; F223-K227 HydrophobicContact CD1-CD 3.91Å; F223-K227 HydrophobicContact CD1-CG 4.35Å; F223-K227 HydrophobicContact CE1-CD 3.51Å; F223-K227 HydrophobicContact CE1-CG 4.04Å; F223-K227 HydrophobicContact CZ-CD 4.08Å; F223-K227 HydrophobicContact CZ-CG 4.18Å; F223-K227 PolarHBondContact O-N 3.29Å; F223-M277 HydrophobicContact CZ-CB 4.04Å; F223-H279 HydrophobicContact CD1-CB 3.79Å; F223-H279 HydrophobicContact CE1-CB 3.98Å; F223-H279 HydrophobicContact CG-CB 4.33Å
224P93.6Very high92.8Very high82 Ų8237 Ų3753%0.53220%0.195SC..Hα-helixtrans-58.1-38171.2-25.235.8000113.2S222 Q228S222-P224 VanDerWaalsContact C-CD 3.46Å; P224-Q228 WeakPolarHBondContact O-CB 3.36Å; P224-Q228 PolarHBondContact O-N 2.93Å
225L92.4Very high92.5Very high39 Ų3942.1 Ų42.120%0.20421%0.214CC..Hα-helixtrans-68.3-42.2177.2178.558.6000111.1S222 F223 Q228 S229 A343 A365S222-L225 WeakPolarHBondContact O-CA 3.18Å; S222-L225 VanDerWaalsContact O-CB 3.29Å; S222-L225 WeakPolarHBondContact O-CB 3.34Å; S222-L225 PolarHBondContact O-N 2.84Å; F223-L225 VanDerWaalsContact C-N 3.27Å; F223-L225 PolarHBondContact O-N 3.44Å; L225-Q228 PolarHBondContact O-N 3.34Å; L225-S229 VanDerWaalsContact O-CB 3.28Å; L225-S229 WeakPolarHBondContact O-CB 3.12Å; L225-S229 PolarHBondContact O-N 2.98Å; L225-S229 PolarHBondContact O-OG 2.88Å; L225-A343 HydrophobicContact CD2-CB 4.05Å; L225-A365 HydrophobicContact CD2-CB 3.73Å; L225-A365 HydrophobicContact CG-CB 4.41Å
226Y95.1Very high92Very high0 Ų043.1 Ų43.10%022%0.222CC..Hα-helixtrans-58.5-49.8173.6-66.1-31.4000112.1V219 S222 F223 Q228 S229 A230 M312 T313 D314 F341 A343V219-Y226 HydrophobicContact CB-CE2 3.85Å; V219-Y226 HydrophobicContact CG1-CE2 3.84Å; V219-Y226 HydrophobicContact CG2-CE2 4.36Å; S222-Y226 PolarHBondContact O-N 3.18Å; F223-Y226 PolarHBondContact O-N 3.32Å; Y226-Q228 PolarHBondContact O-N 3.03Å; Y226-S229 PolarHBondContact O-N 3.43Å; Y226-A230 VanDerWaalsContact O-CB 3.27Å; Y226-A230 WeakPolarHBondContact O-CB 3.39Å; Y226-A230 PolarHBondContact O-N 3.44Å; Y226-M312 HydrophobicContact CD1-CB 3.73Å; Y226-M312 HydrophobicContact CD1-CG 4.26Å; Y226-M312 HydrophobicContact CD1-SD 4.13Å; Y226-M312 HydrophobicContact CD2-CB 4.35Å; Y226-M312 HydrophobicContact CE1-CB 3.91Å; Y226-M312 HydrophobicContact CG-CB 3.97Å; Y226-M312 HydrophobicContact CG-SD 4.21Å; Y226-T313 WeakPolarHBondContact OH-CA 3.22Å; Y226-T313 PolarHBondContact OH-N 3.03Å; Y226-T313 PolarHBondContact OH-O 3.5Å; Y226-D314 PolarHBondContact OH-N 3.45Å; Y226-F341 AromaticContact CD1-CD1 3.84Å; Y226-F341 HydrophobicContact CD1-CD1 3.84Å; Y226-F341 HydrophobicContact CD1-CE1 4.04Å; Y226-F341 AromaticContact CE1-CD1 3.92Å; Y226-F341 HydrophobicContact CE1-CD1 3.92Å; Y226-F341 HydrophobicContact CE1-CE1 4.33Å; Y226-A343 HydrophobicContact CD1-CB 4.09Å; Y226-A343 HydrophobicContact CE1-CB 3.28Å; Y226-A343 PolarHBondContact OH-N 3.21Å; Y226-A343 PolarHBondContact OH-O 3.35Å
227K94.6Very high91.8Very high51 Ų5143.1 Ų43.122%0.22222%0.222CC..Hα-helixtrans-57.2-47.8176.2-73.3-179.567.41750112F223 L231 L274 Q275 M277F223-K227 HydrophobicContact CD1-CD 3.91Å; F223-K227 HydrophobicContact CD1-CG 4.35Å; F223-K227 HydrophobicContact CE1-CD 3.51Å; F223-K227 HydrophobicContact CE1-CG 4.04Å; F223-K227 HydrophobicContact CZ-CD 4.08Å; F223-K227 HydrophobicContact CZ-CG 4.18Å; F223-K227 PolarHBondContact O-N 3.29Å; K227-L231 VanDerWaalsContact O-CB 3.26Å; K227-L231 WeakPolarHBondContact O-CB 3.47Å; K227-L231 PolarHBondContact O-N 3.37Å; K227-L274 WeakPolarHBondContact CE-O 3.35Å; K227-Q275 WeakPolarHBondContact CE-O 3.39Å; K227-Q275 PolarHBondContact NZ-O 3.46Å; K227-M277 HydrophobicContact CD-CB 4.4Å; K227-M277 VanDerWaalsContact CE-O 3.32Å; K227-M277 WeakPolarHBondContact CE-O 3.43Å; K227-M277 HydrophobicContact CG-CE 3.88Å; K227-M277 PolarHBondContact NZ-O 3.36Å
228Q93.3Very high91.7Very high96 Ų9639 Ų3945%0.44920%0.204SC..Hα-helixtrans-65.2-43.8-178-170.2-176.429.700111.7P224 L225 Y226 L231 K232 S368P224-Q228 WeakPolarHBondContact O-CB 3.36Å; P224-Q228 PolarHBondContact O-N 2.93Å; L225-Q228 PolarHBondContact O-N 3.34Å; Y226-Q228 PolarHBondContact O-N 3.03Å; Q228-L231 PolarHBondContact O-N 3.33Å; Q228-K232 WeakPolarHBondContact O-CB 3.39Å; Q228-K232 WeakPolarHBondContact O-CG 3.13Å; Q228-K232 PolarHBondContact O-N 3.23Å; Q228-S368 PolarHBondContact OE1-OG 3.33Å; Q228-S368 VanDerWaalsContact OE1-OG 3.08Å
229S93.3Very high91.5Very high0 Ų040.3 Ų40.30%022%0.218CC..Hα-helixtrans-64.2-47.1179.4-530000111.1L225 Y226 L231 K232 M233 F341 S368L225-S229 VanDerWaalsContact O-CB 3.28Å; L225-S229 WeakPolarHBondContact O-CB 3.12Å; L225-S229 PolarHBondContact O-N 2.98Å; L225-S229 PolarHBondContact O-OG 2.88Å; Y226-S229 PolarHBondContact O-N 3.43Å; S229-L231 VanDerWaalsContact C-N 3.33Å; S229-L231 PolarHBondContact O-N 3.29Å; S229-K232 PolarHBondContact O-N 3.37Å; S229-M233 VanDerWaalsContact O-CB 3.31Å; S229-M233 WeakPolarHBondContact O-CB 3.39Å; S229-M233 PolarHBondContact O-N 2.83Å; S229-F341 WeakPolarHBondContact OG-CZ 3.43Å; S229-S368 WeakPolarHBondContact OG-CA 3.44Å; S229-S368 WeakPolarHBondContact OG-CB 2.92Å
230A95.9Very high90.9Very high0 Ų044.9 Ų44.90%024%0.24CC..Hα-helixtrans-58.7-43.8175.100000112.1L211 Y226 T234 L274 M312L211-A230 HydrophobicContact CD2-CB 3.5Å; L211-A230 VanDerWaalsContact CD2-CB 3.5Å; Y226-A230 VanDerWaalsContact O-CB 3.27Å; Y226-A230 WeakPolarHBondContact O-CB 3.39Å; Y226-A230 PolarHBondContact O-N 3.44Å; A230-T234 VanDerWaalsContact O-CB 3.27Å; A230-T234 WeakPolarHBondContact O-CB 3.39Å; A230-T234 PolarHBondContact O-N 2.75Å; A230-T234 PolarHBondContact O-OG1 2.6Å; A230-L274 HydrophobicContact CB-CD1 4.12Å; A230-L274 HydrophobicContact CB-CD2 3.85Å; A230-M312 HydrophobicContact CB-CE 4.02Å; A230-M312 HydrophobicContact CB-SD 4.36Å
231L93.3Very high90.5Very high24 Ų2442.1 Ų42.113%0.12622%0.224CC..Hα-helixtrans-66.8-44.2-179.8-175.366.8000111.9K227 Q228 S229 T234 R235 E271 L274 Q275K227-L231 VanDerWaalsContact O-CB 3.26Å; K227-L231 WeakPolarHBondContact O-CB 3.47Å; K227-L231 PolarHBondContact O-N 3.37Å; Q228-L231 PolarHBondContact O-N 3.33Å; S229-L231 VanDerWaalsContact C-N 3.33Å; S229-L231 PolarHBondContact O-N 3.29Å; L231-T234 PolarHBondContact O-N 2.88Å; L231-R235 WeakPolarHBondContact O-CG 3.4Å; L231-R235 PolarHBondContact O-N 2.85Å; L231-E271 HydrophobicContact CD1-CB 3.84Å; L231-E271 HydrophobicContact CD1-CG 3.82Å; L231-L274 HydrophobicContact CB-CD1 4.49Å; L231-L274 HydrophobicContact CD1-CB 4.33Å; L231-L274 HydrophobicContact CD1-CD1 4.43Å; L231-Q275 HydrophobicContact CD1-CG 4.24Å; L231-Q275 HydrophobicContact CD2-CG 3.98Å
232K91.1Very high90Very high58 Ų5841.2 Ų41.225%0.25222%0.219SC..Hα-helixtrans-62.1-48.3176.2-79.3-175174.8-176.70111.5Q228 S229 T234 R235 A236 S368 D369Q228-K232 WeakPolarHBondContact O-CB 3.39Å; Q228-K232 WeakPolarHBondContact O-CG 3.13Å; Q228-K232 PolarHBondContact O-N 3.23Å; S229-K232 PolarHBondContact O-N 3.37Å; K232-T234 PolarHBondContact O-N 2.86Å; K232-R235 PolarHBondContact O-N 3.46Å; K232-A236 WeakPolarHBondContact O-CB 3.31Å; K232-A236 PolarHBondContact O-N 3.39Å; K232-S368 VanDerWaalsContact CE-OG 3.32Å; K232-S368 WeakPolarHBondContact CE-OG 3.25Å; K232-S368 PolarHBondContact NZ-OG 3.27Å; K232-D369 WeakPolarHBondContact CD-OD1 3.46Å; K232-D369 VanDerWaalsContact NZ-CG 3.29Å; K232-D369 IonicContact NZ-OD1 3.25Å; K232-D369 PolarHBondContact NZ-OD1 3.34Å; K232-D369 IonicContact NZ-OD2 3.98Å; K232-D369 PolarHBondContact NZ-OD2 3.09Å
233M93.1Very high89.8Confident1 Ų142.9 Ų42.91%0.00523%0.23CC..Hα-helixtrans-58.5-46.6176.3176.7-141.263.800111.6V209 S229 R235 A236 L237 F246 I310 L371 V375V209-M233 HydrophobicContact CG1-CE 4.41Å; S229-M233 VanDerWaalsContact O-CB 3.31Å; S229-M233 WeakPolarHBondContact O-CB 3.39Å; S229-M233 PolarHBondContact O-N 2.83Å; M233-R235 VanDerWaalsContact C-N 3.34Å; M233-R235 PolarHBondContact O-N 2.94Å; M233-A236 PolarHBondContact O-N 3.41Å; M233-L237 HydrophobicContact CG-CD1 4.36Å; M233-L237 PolarHBondContact O-N 2.94Å; M233-F246 HydrophobicContact CE-CD1 4.36Å; M233-F246 HydrophobicContact CE-CE1 3.8Å; M233-I310 HydrophobicContact CE-CD1 4.35Å; M233-I310 HydrophobicContact SD-CD1 3.25Å; M233-I310 WeakPolarHBondContact SD-CD1 3.5Å; M233-L371 HydrophobicContact CB-CD2 3.98Å; M233-L371 HydrophobicContact CB-CG 4.15Å; M233-L371 HydrophobicContact CG-CD2 4.32Å; M233-L371 HydrophobicContact CG-CG 4.23Å; M233-L371 HydrophobicContact SD-CD2 4.02Å; M233-L371 HydrophobicContact SD-CG 4.23Å; M233-V375 HydrophobicContact CG-CB 3.96Å; M233-V375 HydrophobicContact CG-CG1 3.96Å; M233-V375 HydrophobicContact CG-CG2 3.88Å; M233-V375 HydrophobicContact SD-CB 4.43Å; M233-V375 HydrophobicContact SD-CG1 4.27Å; M233-V375 HydrophobicContact SD-CG2 3.81Å
234T92Very high89.6Confident1 Ų143.2 Ų43.21%0.00623%0.233CC..Hα-helixtrans-57.8-47.7178.4-62.30000111A230 L231 K232 A236 L237 L238 F246 A270 L274A230-T234 VanDerWaalsContact O-CB 3.27Å; A230-T234 WeakPolarHBondContact O-CB 3.39Å; A230-T234 PolarHBondContact O-N 2.75Å; A230-T234 PolarHBondContact O-OG1 2.6Å; L231-T234 PolarHBondContact O-N 2.88Å; K232-T234 PolarHBondContact O-N 2.86Å; T234-A236 PolarHBondContact O-N 2.86Å; T234-L237 PolarHBondContact O-N 3.17Å; T234-L238 HydrophobicContact CG2-CD1 3.73Å; T234-L238 HydrophobicContact CG2-CG 4.49Å; T234-L238 WeakPolarHBondContact O-CB 3.48Å; T234-L238 VanDerWaalsContact O-CG 3.22Å; T234-L238 WeakPolarHBondContact O-CG 3.27Å; T234-L238 PolarHBondContact O-N 2.84Å; T234-F246 HydrophobicContact CG2-CD2 4.33Å; T234-F246 HydrophobicContact CG2-CE1 4.33Å; T234-F246 HydrophobicContact CG2-CE2 3.84Å; T234-F246 HydrophobicContact CG2-CZ 3.84Å; T234-A270 HydrophobicContact CG2-CB 4.34Å; T234-L274 HydrophobicContact CG2-CD1 4.41Å; T234-L274 WeakPolarHBondContact OG1-CD1 3.49Å
235R90.2Very high89.6Confident107 Ų10741.5 Ų41.540%0.40422%0.219SC..Hα-helixtrans-62.2-43.3176.7-74.4170.4175166.80.4112.6L231 K232 M233 L238 A239 E271 Q275L231-R235 WeakPolarHBondContact O-CG 3.4Å; L231-R235 PolarHBondContact O-N 2.85Å; K232-R235 PolarHBondContact O-N 3.46Å; M233-R235 VanDerWaalsContact C-N 3.34Å; M233-R235 PolarHBondContact O-N 2.94Å; R235-L238 PolarHBondContact O-N 2.91Å; R235-A239 WeakPolarHBondContact O-CB 3.33Å; R235-A239 PolarHBondContact O-N 3.23Å; R235-E271 HydrophobicContact CG-CG 4.45Å; R235-E271 WeakPolarHBondContact CG-OE1 3.27Å; R235-E271 IonicContact CZ-OE2 3.28Å; R235-E271 VanDerWaalsContact CZ-OE2 3.28Å; R235-E271 IonicContact NE-OE1 3.76Å; R235-E271 IonicContact NE-OE2 2.82Å; R235-E271 PolarHBondContact NE-OE2 2.79Å; R235-E271 IonicContact NH2-OE2 2.83Å; R235-E271 PolarHBondContact NH2-OE2 2.92Å; R235-Q275 VanDerWaalsContact NH2-NE2 3.13Å
236A87Confident89.8Confident21 Ų2139.7 Ų39.717%0.17421%0.209CC..Hα-helixtrans-63.5-43.9-179.500000111.8K232 M233 T234 A239 Q240 L376K232-A236 WeakPolarHBondContact O-CB 3.31Å; K232-A236 PolarHBondContact O-N 3.39Å; M233-A236 PolarHBondContact O-N 3.41Å; T234-A236 PolarHBondContact O-N 2.86Å; A236-A239 PolarHBondContact O-N 2.84Å; A236-Q240 WeakPolarHBondContact O-CG 3.47Å; A236-Q240 PolarHBondContact O-N 3Å; A236-L376 HydrophobicContact CB-CD1 4.19Å
237L87.4Confident89.9Confident0 Ų039.7 Ų39.70%021%0.209CC..Hα-helixtrans-63.4-49.3175.4-81.9175.6000112V209 M233 T234 A239 Q240 Y241 V244 F246 V375 L376 V379V209-L237 HydrophobicContact CG2-CD1 3.8Å; M233-L237 HydrophobicContact CG-CD1 4.36Å; M233-L237 PolarHBondContact O-N 2.94Å; T234-L237 PolarHBondContact O-N 3.17Å; L237-A239 PolarHBondContact O-N 2.95Å; L237-Q240 PolarHBondContact O-N 3.41Å; L237-Q240 VanDerWaalsContact O-N 3.11Å; L237-Y241 HydrophobicContact CD2-CD2 4.12Å; L237-Y241 HydrophobicContact CD2-CE2 4.32Å; L237-Y241 PolarHBondContact O-N 3.39Å; L237-V244 HydrophobicContact CB-CG1 4.41Å; L237-V244 HydrophobicContact CB-CG2 4.45Å; L237-V244 HydrophobicContact CD1-CG1 4.39Å; L237-F246 HydrophobicContact CB-CZ 4.16Å; L237-F246 HydrophobicContact CD1-CE1 3.83Å; L237-F246 HydrophobicContact CD1-CZ 3.87Å; L237-V375 HydrophobicContact CD1-CG1 3.66Å; L237-V375 HydrophobicContact CD2-CG1 3.89Å; L237-V375 HydrophobicContact CG-CG1 3.89Å; L237-L376 HydrophobicContact CD2-CD2 4.3Å; L237-V379 HydrophobicContact CD2-CG1 4.29Å; L237-V379 HydrophobicContact CD2-CG2 3.76Å
238L86.8Confident90Very high29 Ų2937.3 Ų37.315%0.15220%0.199CC..Hα-helixtrans-65.5-23.5-179.2-69.8171.9000113.5T234 R235 V244 F246 N267T234-L238 HydrophobicContact CG2-CD1 3.73Å; T234-L238 HydrophobicContact CG2-CG 4.49Å; T234-L238 WeakPolarHBondContact O-CB 3.48Å; T234-L238 VanDerWaalsContact O-CG 3.22Å; T234-L238 WeakPolarHBondContact O-CG 3.27Å; T234-L238 PolarHBondContact O-N 2.84Å; R235-L238 PolarHBondContact O-N 2.91Å; L238-V244 HydrophobicContact CD2-CB 4.01Å; L238-V244 HydrophobicContact CD2-CG2 4.47Å; L238-F246 HydrophobicContact CD1-CE2 4.17Å; L238-F246 HydrophobicContact CD2-CE2 3.96Å; L238-F246 HydrophobicContact CG-CE2 3.94Å; L238-F246 HydrophobicContact CG-CZ 4.43Å; L238-N267 HydrophobicContact CD1-CB 3.82Å; L238-N267 WeakPolarHBondContact CD2-OD1 3.17Å
239A83.2Confident90.3Very high83 Ų8332.7 Ų32.769%0.68618%0.177SC*.Hα-helixtrans-78.2-27.8174.500000113.1R235 A236 L237R235-A239 WeakPolarHBondContact O-CB 3.33Å; R235-A239 PolarHBondContact O-N 3.23Å; A236-A239 PolarHBondContact O-N 2.84Å; L237-A239 PolarHBondContact O-N 2.95Å
240Q78.6Confident90.5Very high98 Ų9833.2 Ų33.246%0.45818%0.18SC..Hα-helixtrans-103.7-23.6-172.9-68.1-176.551.400113.8A236 L237 L376A236-Q240 WeakPolarHBondContact O-CG 3.47Å; A236-Q240 PolarHBondContact O-N 3Å; L237-Q240 PolarHBondContact O-N 3.41Å; L237-Q240 VanDerWaalsContact O-N 3.11Å; Q240-L376 VanDerWaalsContact NE2-CD2 3.31Å
241Y81.7Confident90.5Very high21 Ų2133.2 Ų33.28%0.08218%0.18CC..  trans-125.7133.5-172.9-65.5-100.6000111.4C203 V207 L237 V244 L376 V379 S380C203-Y241 HydrophobicContact CB-CD1 4.24Å; C203-Y241 HydrophobicContact CB-CE1 3.62Å; V207-Y241 HydrophobicContact CG2-CD1 3.99Å; V207-Y241 HydrophobicContact CG2-CE1 4.38Å; V207-Y241 HydrophobicContact CG2-CG 4.49Å; L237-Y241 HydrophobicContact CD2-CD2 4.12Å; L237-Y241 HydrophobicContact CD2-CE2 4.32Å; L237-Y241 PolarHBondContact O-N 3.39Å; Y241-V244 VanDerWaalsContact CB-CG2 3.47Å; Y241-V244 HydrophobicContact CG-CG2 4.46Å; Y241-L376 HydrophobicContact CE2-CD2 4.25Å; Y241-V379 HydrophobicContact CD2-CG2 4.39Å; Y241-V379 HydrophobicContact CE1-CB 4.01Å; Y241-V379 HydrophobicContact CE1-CG2 4.12Å; Y241-V379 HydrophobicContact CE2-CB 4.28Å; Y241-V379 HydrophobicContact CE2-CG2 3.48Å; Y241-V379 VanDerWaalsContact CE2-CG2 3.48Å; Y241-V379 VanDerWaalsContact OH-C 3.22Å; Y241-V379 WeakPolarHBondContact OH-CG2 3.02Å; Y241-V379 PolarHBondContact OH-O 2.85Å; Y241-S380 PolarHBondContact OH-N 3.4Å
242D80.1Confident90.5Very high127 Ų12732.6 Ų32.668%0.67918%0.177SC*.SBendtrans-79.5-18.1-176-67.5-26.1000113.1K202K202-D242 WeakPolarHBondContact CD-OD2 3.28Å; K202-D242 IonicContact NZ-OD1 2.69Å; K202-D242 PolarHBondContact NZ-OD1 2.81Å; K202-D242 IonicContact NZ-OD2 3.46Å; K202-D242 PolarHBondContact NZ-OD2 2.8Å
243S88.4Confident90.4Very high52 Ų5235.6 Ų35.636%0.36419%0.19SC..SBendtrans-133.973.7-173.6-158.20000112.7P206 V207 R302P206-S243 CarbonylContact C-O 3.38Å; P206-S243 VanDerWaalsContact CA-O 3.32Å; P206-S243 WeakPolarHBondContact CA-O 3.5Å; V207-S243 PolarHBondContact N-O 3.01Å; S243-R302 PolarHBondContact O-NH2 3.15Å; S243-R302 PolarHBondContact OG-NH1 3.23Å
244V90.7Very high90.4Very high17 Ų1740.6 Ų40.610%0.10322%0.217CC..EExtended strand (participates in β ladder)trans-110.7133177.3-167.20000110.6V207 V209 L237 L238 Y241 F246V207-V244 HydrophobicContact CB-CG1 4.31Å; V207-V244 HydrophobicContact CB-CG2 4.41Å; V207-V244 HydrophobicContact CG1-CG1 4.48Å; V207-V244 CarbonylContact O-C 3.46Å; V207-V244 VanDerWaalsContact O-CA 3.27Å; V207-V244 WeakPolarHBondContact O-CA 3.23Å; V209-V244 HydrophobicContact CG2-CG1 4.46Å; L237-V244 HydrophobicContact CB-CG1 4.41Å; L237-V244 HydrophobicContact CB-CG2 4.45Å; L237-V244 HydrophobicContact CD1-CG1 4.39Å; L238-V244 HydrophobicContact CD2-CB 4.01Å; L238-V244 HydrophobicContact CD2-CG2 4.47Å; Y241-V244 VanDerWaalsContact CB-CG2 3.47Å; Y241-V244 HydrophobicContact CG-CG2 4.46Å; V244-F246 HydrophobicContact CB-CE2 4.17Å; V244-F246 HydrophobicContact CB-CZ 4.47Å; V244-F246 HydrophobicContact CG1-CD2 4.21Å; V244-F246 HydrophobicContact CG1-CE1 4.15Å; V244-F246 HydrophobicContact CG1-CE2 3.46Å; V244-F246 VanDerWaalsContact CG1-CE2 3.46Å; V244-F246 HydrophobicContact CG1-CZ 3.43Å; V244-F246 VanDerWaalsContact CG1-CZ 3.43Å
245M93.8Very high90.6Very high47 Ų4741.6 Ų41.623%0.23223%0.225CC..EExtended strand (participates in β ladder)trans-120.6142.8166.4-64.4-177.2174.300109.7V207 D208 V209 L261V207-M245 PolarHBondContact O-N 2.9Å; D208-M245 CarbonylContact C-O 3.56Å; D208-M245 WeakPolarHBondContact CA-O 3.36Å; V209-M245 PolarHBondContact N-O 2.91Å; M245-L261 HydrophobicContact CB-CD1 3.79Å
246F95.4Very high90.9Very high1 Ų140 Ų400%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-111146.4174.2-61-85.1000111.4V209 M233 T234 L237 L238 V244 L259 Y265 A270V209-F246 HydrophobicContact CB-CD1 3.66Å; V209-F246 HydrophobicContact CB-CE1 3.87Å; V209-F246 HydrophobicContact CG1-CD1 4.07Å; V209-F246 HydrophobicContact CG1-CE1 4.22Å; V209-F246 HydrophobicContact CG2-CD1 4.21Å; V209-F246 HydrophobicContact CG2-CE1 3.92Å; V209-F246 CarbonylContact O-C 3.52Å; V209-F246 WeakPolarHBondContact O-CA 3.42Å; M233-F246 HydrophobicContact CE-CD1 4.36Å; M233-F246 HydrophobicContact CE-CE1 3.8Å; T234-F246 HydrophobicContact CG2-CD2 4.33Å; T234-F246 HydrophobicContact CG2-CE1 4.33Å; T234-F246 HydrophobicContact CG2-CE2 3.84Å; T234-F246 HydrophobicContact CG2-CZ 3.84Å; L237-F246 HydrophobicContact CB-CZ 4.16Å; L237-F246 HydrophobicContact CD1-CE1 3.83Å; L237-F246 HydrophobicContact CD1-CZ 3.87Å; L238-F246 HydrophobicContact CD1-CE2 4.17Å; L238-F246 HydrophobicContact CD2-CE2 3.96Å; L238-F246 HydrophobicContact CG-CE2 3.94Å; L238-F246 HydrophobicContact CG-CZ 4.43Å; V244-F246 HydrophobicContact CB-CE2 4.17Å; V244-F246 HydrophobicContact CB-CZ 4.47Å; V244-F246 HydrophobicContact CG1-CD2 4.21Å; V244-F246 HydrophobicContact CG1-CE1 4.15Å; V244-F246 HydrophobicContact CG1-CE2 3.46Å; V244-F246 VanDerWaalsContact CG1-CE2 3.46Å; V244-F246 HydrophobicContact CG1-CZ 3.43Å; V244-F246 VanDerWaalsContact CG1-CZ 3.43Å; F246-L259 HydrophobicContact CB-CD2 3.84Å; F246-L259 WeakPolarHBondContact O-CD2 3.32Å; F246-Y265 VanDerWaalsContact C-OH 3.31Å; F246-Y265 WeakPolarHBondContact CA-OH 3.48Å; F246-Y265 PolarHBondContact N-OH 3.21Å; F246-Y265 PolarHBondContact O-OH 3.39Å; F246-A270 HydrophobicContact CD2-CB 4.41Å
247S97.3Very high91.4Very high0 Ų041.3 Ų41.30%023%0.234CC..EExtended strand (participates in β ladder)trans-110.8134151.3-175.70000107.3V209 L211 L259 Q296V209-S247 PolarHBondContact O-N 3.3Å; L211-S247 PolarHBondContact N-O 2.86Å; S247-L259 CarbonylContact C-O 3.48Å; S247-L259 WeakPolarHBondContact CA-O 3.29Å; S247-L259 PolarHBondContact OG-O 2.75Å; S247-Q296 WeakPolarHBondContact OG-CG 3.45Å
248I98.1Very high91.9Very high0 Ų044.4 Ų44.40%025%0.249CC..EExtended strand (participates in β ladder)trans-117.4114.7174.8-57.5169.3000107.4L258 L259 V273 L274 M277I248-L258 HydrophobicContact CG2-CB 4.49Å; I248-L258 HydrophobicContact CG2-CD1 4.37Å; I248-L258 PolarHBondContact O-N 3.25Å; I248-L259 HydrophobicContact CB-CB 3.89Å; I248-L259 HydrophobicContact CD1-CB 4.15Å; I248-L259 HydrophobicContact CD1-CD2 3.94Å; I248-L259 HydrophobicContact CG1-CB 4.06Å; I248-L259 HydrophobicContact CG1-CD2 4.06Å; I248-L259 PolarHBondContact N-O 2.76Å; I248-L259 PolarHBondContact O-N 3.31Å; I248-V273 HydrophobicContact CB-CG1 4.34Å; I248-V273 HydrophobicContact CD1-CB 4.14Å; I248-V273 HydrophobicContact CD1-CG1 3.82Å; I248-V273 HydrophobicContact CG2-CG1 4.17Å; I248-L274 HydrophobicContact CD1-CD1 4.38Å; I248-L274 HydrophobicContact CD1-CD2 3.76Å; I248-L274 HydrophobicContact CD1-CG 3.71Å; I248-L274 HydrophobicContact CG1-CD2 4.31Å; I248-L274 HydrophobicContact CG2-CD2 4.11Å; I248-M277 HydrophobicContact CG2-SD 3.91Å
249I98.4Very high92.3Very high0 Ų043.5 Ų43.50%025%0.245CC..EExtended strand (participates in β ladder)trans-113123177.3-61.1163.9000106.7V210 L211 V212 V213 A255 T256 V257 V292 G293 Q296V210-I249 HydrophobicContact CG1-CD1 3.99Å; L211-I249 PolarHBondContact O-N 2.86Å; V212-I249 CarbonylContact C-O 3.48Å; V212-I249 WeakPolarHBondContact CA-O 3.34Å; V212-I249 HydrophobicContact CG1-CB 4.45Å; V212-I249 HydrophobicContact CG1-CG2 4.34Å; V212-I249 HydrophobicContact CG2-CB 4.33Å; V212-I249 HydrophobicContact CG2-CD1 4.06Å; V213-I249 PolarHBondContact N-O 3.26Å; I249-A255 HydrophobicContact CG2-CB 4.06Å; I249-T256 WeakPolarHBondContact CA-O 3.22Å; I249-V257 HydrophobicContact CG1-CG2 4.15Å; I249-V292 HydrophobicContact CD1-CB 4.46Å; I249-V292 HydrophobicContact CD1-CG1 3.88Å; I249-V292 HydrophobicContact CG1-CG1 4.32Å; I249-V292 HydrophobicContact CG2-CG1 4.41Å; I249-G293 VanDerWaalsContact CD1-CA 3.41Å; I249-Q296 HydrophobicContact CD1-CG 4.03Å
250Q98Very high93Very high11 Ų1141.9 Ų41.95%0.05123%0.228CC..EExtended strand (participates in β ladder)trans-105.5133.7171.4-173.8178.716.300108.3V213 S215 T256 L258 E278 L280V213-Q250 WeakPolarHBondContact O-CA 3.25Å; S215-Q250 PolarHBondContact OG-NE2 2.86Å; Q250-T256 PolarHBondContact N-O 3.46Å; Q250-T256 PolarHBondContact O-N 2.91Å; Q250-L258 HydrophobicContact CB-CD1 3.74Å; Q250-L258 HydrophobicContact CB-CG 4.09Å; Q250-E278 PolarHBondContact NE2-O 3.46Å; Q250-L280 HydrophobicContact CG-CD1 3.95Å; Q250-L280 HydrophobicContact CG-CG 4.39Å
251Y96.8Very high93.7Very high0 Ų037.7 Ų37.70%021%0.208CC..EExtended strand (participates in β ladder)trans-137.6155.4-17880.3-81.8000114.2V212 V213 D214 S215 N254 T284 T286 A289 L311 T313V212-Y251 HydrophobicContact CG1-CD1 3.64Å; V212-Y251 HydrophobicContact CG1-CE1 3.71Å; V213-Y251 VanDerWaalsContact O-CD1 3.27Å; V213-Y251 WeakPolarHBondContact O-CD1 3.3Å; V213-Y251 PolarHBondContact O-N 2.86Å; D214-Y251 HydrophobicContact CB-CD1 4.47Å; D214-Y251 HydrophobicContact CB-CE1 3.69Å; D214-Y251 HydrophobicContact CB-CE2 4.4Å; D214-Y251 VanDerWaalsContact N-CE1 3.3Å; S215-Y251 WeakPolarHBondContact CA-O 3.45Å; S215-Y251 WeakPolarHBondContact CB-O 3.44Å; S215-Y251 PolarHBondContact N-O 2.9Å; Y251-N254 VanDerWaalsContact CA-O 3.23Å; Y251-N254 WeakPolarHBondContact CA-O 3.31Å; Y251-N254 WeakPolarHBondContact CB-O 3.43Å; Y251-T284 HydrophobicContact CE2-CG2 3.82Å; Y251-T286 PolarHBondContact OH-OG1 3.45Å; Y251-A289 HydrophobicContact CD1-CB 3.53Å; Y251-A289 HydrophobicContact CD2-CB 3.56Å; Y251-A289 HydrophobicContact CE1-CB 3.98Å; Y251-A289 HydrophobicContact CE2-CB 4.01Å; Y251-A289 HydrophobicContact CG-CB 3.29Å; Y251-L311 HydrophobicContact CE1-CD1 4.08Å; Y251-T313 WeakPolarHBondContact OH-CB 3.14Å; Y251-T313 PolarHBondContact OH-OG1 2.93Å
252S92.8Very high94.1Very high10 Ų1038.9 Ų38.97%0.0723%0.227CC..SBendtrans-146.9-98.2161.261.40000107.3N254 G281 V283 N285S252-N254 PolarHBondContact N-O 3.49Å; S252-G281 WeakPolarHBondContact CB-O 3.32Å; S252-G281 PolarHBondContact OG-O 2.65Å; S252-V283 CarbonylContact C-O 3.45Å; S252-N285 PolarHBondContact O-N 3.19Å
253K88.5Confident94.5Very high121 Ų12136.5 Ų36.553%0.52622%0.217SC..SBendtrans-71.2-35.7172.6-179.5177.6177.51800111.9V283K253-V283 WeakPolarHBondContact CA-O 3.28Å; K253-V283 HydrophobicContact CB-CG2 3.88Å; K253-V283 HydrophobicContact CD-CG2 4.33Å; K253-V283 HydrophobicContact CG-CG2 3.93Å; K253-V283 PolarHBondContact N-O 3.5Å
254N93.4Very high94.2Very high107 Ų10742.9 Ų42.957%0.57224%0.241SC*.SBendtrans-121158176-60.1-42.3000108.6Y251 S252Y251-N254 VanDerWaalsContact CA-O 3.23Å; Y251-N254 WeakPolarHBondContact CA-O 3.31Å; Y251-N254 WeakPolarHBondContact CB-O 3.43Å; S252-N254 PolarHBondContact N-O 3.49Å
255A96.3Very high93.9Very high21 Ų2144 Ų4417%0.17424%0.243CC..EExtended strand (participates in β ladder)trans-106.6127.6172.200000110.2I249 L288 A289 V292I249-A255 HydrophobicContact CG2-CB 4.06Å; A255-L288 HydrophobicContact CB-CG 4.29Å; A255-A289 HydrophobicContact CB-CB 3.95Å; A255-V292 HydrophobicContact CB-CB 4.31Å; A255-V292 HydrophobicContact CB-CG2 4.01Å
256T97.3Very high93.4Very high73 Ų7344.5 Ų44.545%0.44825%0.252SS..EExtended strand (participates in β ladder)trans-120.3125.5-178.7-53.50000109.8I249 Q250 L258I249-T256 WeakPolarHBondContact CA-O 3.22Å; Q250-T256 PolarHBondContact N-O 3.46Å; Q250-T256 PolarHBondContact O-N 2.91Å; T256-L258 HydrophobicContact CG2-CD2 4.15Å; T256-L258 PolarHBondContact O-N 3.06Å
257V97.6Very high92.9Very high50 Ų5048.6 Ų48.630%0.30327%0.273SS..EExtended strand (participates in β ladder)trans-77.6105.6172.3-174.50000108.4I249 P260 V292I249-V257 HydrophobicContact CG1-CG2 4.15Å; V257-P260 VanDerWaalsContact CG1-CA 3.47Å; V257-P260 HydrophobicContact CG1-CB 3.82Å; V257-V292 HydrophobicContact CG2-CG1 3.55Å
258L96.7Very high92.4Very high64 Ų6455.5 Ų55.534%0.33531%0.306SS..EExtended strand (participates in β ladder)trans-80.8-32.1176.1-58-176.3000111.8I248 Q250 T256 V273 M277I248-L258 HydrophobicContact CG2-CB 4.49Å; I248-L258 HydrophobicContact CG2-CD1 4.37Å; I248-L258 PolarHBondContact O-N 3.25Å; Q250-L258 HydrophobicContact CB-CD1 3.74Å; Q250-L258 HydrophobicContact CB-CG 4.09Å; T256-L258 HydrophobicContact CG2-CD2 4.15Å; T256-L258 PolarHBondContact O-N 3.06Å; L258-V273 HydrophobicContact CB-CG1 3.68Å; L258-V273 HydrophobicContact CD1-CG1 3.92Å; L258-V273 HydrophobicContact CG-CG1 4.5Å; L258-M277 HydrophobicContact CD1-CG 3.79Å; L258-M277 HydrophobicContact CD1-SD 3.82Å
259L96.1Very high92.1Very high10 Ų1060.2 Ų60.25%0.05233%0.328CS..EExtended strand (participates in β ladder)trans-138.3107.6178.7-166.195.9000107.1F246 S247 I248 Y265 A270 V273F246-L259 HydrophobicContact CB-CD2 3.84Å; F246-L259 WeakPolarHBondContact O-CD2 3.32Å; S247-L259 CarbonylContact C-O 3.48Å; S247-L259 WeakPolarHBondContact CA-O 3.29Å; S247-L259 PolarHBondContact OG-O 2.75Å; I248-L259 HydrophobicContact CB-CB 3.89Å; I248-L259 HydrophobicContact CD1-CB 4.15Å; I248-L259 HydrophobicContact CD1-CD2 3.94Å; I248-L259 HydrophobicContact CG1-CB 4.06Å; I248-L259 HydrophobicContact CG1-CD2 4.06Å; I248-L259 PolarHBondContact N-O 2.76Å; I248-L259 PolarHBondContact O-N 3.31Å; L259-Y265 HydrophobicContact CD1-CD1 3.76Å; L259-Y265 HydrophobicContact CD1-CD2 4.21Å; L259-Y265 HydrophobicContact CD1-CE1 3.97Å; L259-Y265 HydrophobicContact CD1-CE2 4.44Å; L259-Y265 HydrophobicContact CD1-CG 3.91Å; L259-Y265 HydrophobicContact CD2-CD1 4.23Å; L259-Y265 HydrophobicContact CD2-CD2 4.31Å; L259-Y265 HydrophobicContact CD2-CE1 3.6Å; L259-Y265 HydrophobicContact CD2-CE2 3.73Å; L259-Y265 HydrophobicContact CG-CD1 3.89Å; L259-Y265 HydrophobicContact CG-CE1 3.57Å; L259-Y265 HydrophobicContact CG-CE2 4.41Å; L259-Y265 HydrophobicContact CG-CG 4.43Å; L259-A270 HydrophobicContact CD2-CB 4.18Å; L259-V273 HydrophobicContact CD1-CG2 4.15Å
260P96.5Very high91.8Very high50 Ų5060.2 Ų60.233%0.32533%0.328SS..  trans-79.1148.6-179.229.4-33.9000112.3V257 V263V257-P260 VanDerWaalsContact CG1-CA 3.47Å; V257-P260 HydrophobicContact CG1-CB 3.82Å; P260-V263 HydrophobicContact CB-CG2 4.25Å; P260-V263 HydrophobicContact CG-CB 4.08Å; P260-V263 HydrophobicContact CG-CG2 3.67Å
261L94Very high91.6Very high9 Ų961.8 Ų61.85%0.04734%0.335CS..THydrogen-bonded Turntrans-73.1150.6174-154.162.7000111.1D208 V210 M245 V263 Q296 A301D208-L261 HydrophobicContact CB-CD1 4.3Å; D208-L261 HydrophobicContact CB-CD2 4.15Å; V210-L261 HydrophobicContact CG2-CD2 4.14Å; M245-L261 HydrophobicContact CB-CD1 3.79Å; L261-V263 PolarHBondContact O-N 3.38Å; L261-Q296 HydrophobicContact CB-CB 4.31Å; L261-Q296 WeakPolarHBondContact CD2-O 3.43Å; L261-A301 HydrophobicContact CD2-CB 3.55Å
262G89.5Confident91.5Very high46 Ų4664.3 Ų64.347%0.47435%0.351SS..THydrogen-bonded Turntrans78-5.6178.900000115.1G300G262-G300 WeakPolarHBondContact CA-O 3.23Å; G262-G300 PolarHBondContact N-O 3.37Å
263V88.8Confident91.7Very high78 Ų7865.5 Ų65.547%0.47336%0.358SS..SBendtrans-91.1134171.1179.90000109.5P260 L261 Y265P260-V263 HydrophobicContact CB-CG2 4.25Å; P260-V263 HydrophobicContact CG-CB 4.08Å; P260-V263 HydrophobicContact CG-CG2 3.67Å; L261-V263 PolarHBondContact O-N 3.38Å; V263-Y265 WeakPolarHBondContact O-CD1 3.37Å; V263-Y265 WeakPolarHBondContact O-CE1 3.39Å; V263-Y265 PolarHBondContact O-N 2.85Å
264Q81.3Confident92Very high186 Ų18659.8 Ų59.887%0.86933%0.333SS*.  trans-77.6120.3178.4-169.1175.12.300110.8
265Y84.7Confident92.1Very high39 Ų3958.9 Ų58.915%0.15333%0.325CS..  trans-135162.7170.647.4-102000110F246 L259 V263 A270F246-Y265 VanDerWaalsContact C-OH 3.31Å; F246-Y265 WeakPolarHBondContact CA-OH 3.48Å; F246-Y265 PolarHBondContact N-OH 3.21Å; F246-Y265 PolarHBondContact O-OH 3.39Å; L259-Y265 HydrophobicContact CD1-CD1 3.76Å; L259-Y265 HydrophobicContact CD1-CD2 4.21Å; L259-Y265 HydrophobicContact CD1-CE1 3.97Å; L259-Y265 HydrophobicContact CD1-CE2 4.44Å; L259-Y265 HydrophobicContact CD1-CG 3.91Å; L259-Y265 HydrophobicContact CD2-CD1 4.23Å; L259-Y265 HydrophobicContact CD2-CD2 4.31Å; L259-Y265 HydrophobicContact CD2-CE1 3.6Å; L259-Y265 HydrophobicContact CD2-CE2 3.73Å; L259-Y265 HydrophobicContact CG-CD1 3.89Å; L259-Y265 HydrophobicContact CG-CE1 3.57Å; L259-Y265 HydrophobicContact CG-CE2 4.41Å; L259-Y265 HydrophobicContact CG-CG 4.43Å; V263-Y265 WeakPolarHBondContact O-CD1 3.37Å; V263-Y265 WeakPolarHBondContact O-CE1 3.39Å; V263-Y265 PolarHBondContact O-N 2.85Å; Y265-A270 HydrophobicContact CE2-CB 4.36Å
266S85Confident92Very high58 Ų5863.3 Ų63.341%0.40635%0.346SS..  trans-75.2151.7172.963.70000111.5Q268 Q269S266-Q268 PolarHBondContact O-N 3Å; S266-Q268 VanDerWaalsContact O-N 3.13Å; S266-Q269 WeakPolarHBondContact O-CB 3.49Å; S266-Q269 PolarHBondContact O-N 2.99Å; S266-Q269 WeakPolarHBondContact OG-CG 3.42Å; S266-Q269 PolarHBondContact OG-N 2.94Å; S266-Q269 PolarHBondContact OG-OE1 3.48Å
267N83.9Confident92Very high87 Ų8760 Ų6047%0.46533%0.326SS..Hα-helixtrans-49.9-39.2172.8-69.46.7000112.3L238 Q269 A270 E271L238-N267 HydrophobicContact CD1-CB 3.82Å; L238-N267 WeakPolarHBondContact CD2-OD1 3.17Å; N267-Q269 VanDerWaalsContact C-N 3.3Å; N267-Q269 PolarHBondContact O-N 3.39Å; N267-A270 PolarHBondContact O-N 2.78Å; N267-E271 PolarHBondContact O-N 3.22Å
268Q87.3Confident91.8Very high146 Ų14665.2 Ų65.268%0.68235%0.346SS*.Hα-helixtrans-65.2-30.9178.6-169.4173.16.300112.9S266 T272S266-Q268 PolarHBondContact O-N 3Å; S266-Q268 VanDerWaalsContact O-N 3.13Å; Q268-T272 VanDerWaalsContact O-CB 3.28Å; Q268-T272 WeakPolarHBondContact O-CB 3.02Å; Q268-T272 PolarHBondContact O-N 3.3Å; Q268-T272 PolarHBondContact O-OG1 3Å
269Q91.7Very high91.7Very high98 Ų9864.6 Ų64.646%0.45834%0.342SS..Hα-helixtrans-67.9-42.7176.5-76.9166.3-70.100111.7S266 N267 E271 T272 V273S266-Q269 WeakPolarHBondContact O-CB 3.49Å; S266-Q269 PolarHBondContact O-N 2.99Å; S266-Q269 WeakPolarHBondContact OG-CG 3.42Å; S266-Q269 PolarHBondContact OG-N 2.94Å; S266-Q269 PolarHBondContact OG-OE1 3.48Å; N267-Q269 VanDerWaalsContact C-N 3.3Å; N267-Q269 PolarHBondContact O-N 3.39Å; Q269-E271 VanDerWaalsContact C-N 3.35Å; Q269-E271 PolarHBondContact O-N 2.69Å; Q269-T272 PolarHBondContact O-N 3.18Å; Q269-V273 WeakPolarHBondContact O-CG2 3.37Å; Q269-V273 PolarHBondContact O-N 3.45Å
270A92.1Very high91.5Very high1 Ų168.6 Ų68.61%0.00836%0.363CS..Hα-helixtrans-59.9-45.8175.600000111.3T234 F246 L259 Y265 N267 T272 V273 L274T234-A270 HydrophobicContact CG2-CB 4.34Å; F246-A270 HydrophobicContact CD2-CB 4.41Å; L259-A270 HydrophobicContact CD2-CB 4.18Å; Y265-A270 HydrophobicContact CE2-CB 4.36Å; N267-A270 PolarHBondContact O-N 2.78Å; A270-T272 PolarHBondContact O-N 2.89Å; A270-V273 PolarHBondContact O-N 3.4Å; A270-L274 WeakPolarHBondContact O-CG 3.49Å; A270-L274 PolarHBondContact O-N 3.26Å; A270-L274 VanDerWaalsContact O-N 3.11Å
271E93.3Very high90.8Very high43 Ų4366.4 Ų66.420%0.20135%0.349CS..Hα-helixtrans-63-40.9175.4-68.8-167.8-145.600112.8L231 R235 N267 Q269 L274 Q275L231-E271 HydrophobicContact CD1-CB 3.84Å; L231-E271 HydrophobicContact CD1-CG 3.82Å; R235-E271 HydrophobicContact CG-CG 4.45Å; R235-E271 WeakPolarHBondContact CG-OE1 3.27Å; R235-E271 IonicContact CZ-OE2 3.28Å; R235-E271 VanDerWaalsContact CZ-OE2 3.28Å; R235-E271 IonicContact NE-OE1 3.76Å; R235-E271 IonicContact NE-OE2 2.82Å; R235-E271 PolarHBondContact NE-OE2 2.79Å; R235-E271 IonicContact NH2-OE2 2.83Å; R235-E271 PolarHBondContact NH2-OE2 2.92Å; N267-E271 PolarHBondContact O-N 3.22Å; Q269-E271 VanDerWaalsContact C-N 3.35Å; Q269-E271 PolarHBondContact O-N 2.69Å; E271-L274 PolarHBondContact O-N 3.07Å; E271-Q275 WeakPolarHBondContact O-CB 3.2Å; E271-Q275 VanDerWaalsContact O-CG 3.23Å; E271-Q275 WeakPolarHBondContact O-CG 3.31Å; E271-Q275 PolarHBondContact O-N 3.07Å
272T94.9Very high90.5Very high53 Ų5369 Ų6933%0.32537%0.368SS..Hα-helixtrans-65.5-41.7-179.9-59.80000111Q268 Q269 A270 Q275 N276Q268-T272 VanDerWaalsContact O-CB 3.28Å; Q268-T272 WeakPolarHBondContact O-CB 3.02Å; Q268-T272 PolarHBondContact O-N 3.3Å; Q268-T272 PolarHBondContact O-OG1 3Å; Q269-T272 PolarHBondContact O-N 3.18Å; A270-T272 PolarHBondContact O-N 2.89Å; T272-Q275 PolarHBondContact O-N 3.11Å; T272-N276 VanDerWaalsContact CG2-ND2 3.32Å; T272-N276 WeakPolarHBondContact CG2-ND2 3.32Å; T272-N276 VanDerWaalsContact O-CB 3.28Å; T272-N276 WeakPolarHBondContact O-CB 3.39Å; T272-N276 VanDerWaalsContact O-CG 3.3Å; T272-N276 PolarHBondContact O-N 3.34Å; T272-N276 PolarHBondContact O-ND2 3.26Å
273V96Very high90.1Very high36 Ų3669.9 Ų69.922%0.21836%0.364CS..Hα-helixtrans-57.3-53173.4169.20000109.1I248 L258 L259 Q269 A270 Q275 N276 M277I248-V273 HydrophobicContact CB-CG1 4.34Å; I248-V273 HydrophobicContact CD1-CB 4.14Å; I248-V273 HydrophobicContact CD1-CG1 3.82Å; I248-V273 HydrophobicContact CG2-CG1 4.17Å; L258-V273 HydrophobicContact CB-CG1 3.68Å; L258-V273 HydrophobicContact CD1-CG1 3.92Å; L258-V273 HydrophobicContact CG-CG1 4.5Å; L259-V273 HydrophobicContact CD1-CG2 4.15Å; Q269-V273 WeakPolarHBondContact O-CG2 3.37Å; Q269-V273 PolarHBondContact O-N 3.45Å; A270-V273 PolarHBondContact O-N 3.4Å; V273-Q275 VanDerWaalsContact C-N 3.35Å; V273-Q275 PolarHBondContact O-N 2.87Å; V273-N276 PolarHBondContact O-N 2.68Å; V273-M277 WeakPolarHBondContact O-CG 3.49Å; V273-M277 PolarHBondContact O-N 3.01Å
274L95.9Very high90Very high1 Ų166.3 Ų66.31%0.00534%0.343CS..Hα-helixtrans-60.6-40.1-179.5-69174.6000113.4L211 K227 A230 L231 T234 I248 A270 E271 M277L211-L274 HydrophobicContact CD2-CD2 3.79Å; K227-L274 WeakPolarHBondContact CE-O 3.35Å; A230-L274 HydrophobicContact CB-CD1 4.12Å; A230-L274 HydrophobicContact CB-CD2 3.85Å; L231-L274 HydrophobicContact CB-CD1 4.49Å; L231-L274 HydrophobicContact CD1-CB 4.33Å; L231-L274 HydrophobicContact CD1-CD1 4.43Å; T234-L274 HydrophobicContact CG2-CD1 4.41Å; T234-L274 WeakPolarHBondContact OG1-CD1 3.49Å; I248-L274 HydrophobicContact CD1-CD1 4.38Å; I248-L274 HydrophobicContact CD1-CD2 3.76Å; I248-L274 HydrophobicContact CD1-CG 3.71Å; I248-L274 HydrophobicContact CG1-CD2 4.31Å; I248-L274 HydrophobicContact CG2-CD2 4.11Å; A270-L274 WeakPolarHBondContact O-CG 3.49Å; A270-L274 PolarHBondContact O-N 3.26Å; A270-L274 VanDerWaalsContact O-N 3.11Å; E271-L274 PolarHBondContact O-N 3.07Å; L274-M277 HydrophobicContact CD2-CE 3.58Å; L274-M277 HydrophobicContact CD2-SD 4.23Å
275Q94.4Very high90.3Very high87 Ų8759.6 Ų59.641%0.40731%0.313SS..Hα-helixtrans-67.4-38.7178.7-75.1171.30.900112.1K227 L231 R235 E271 T272 V273K227-Q275 WeakPolarHBondContact CE-O 3.39Å; K227-Q275 PolarHBondContact NZ-O 3.46Å; L231-Q275 HydrophobicContact CD1-CG 4.24Å; L231-Q275 HydrophobicContact CD2-CG 3.98Å; R235-Q275 VanDerWaalsContact NH2-NE2 3.13Å; E271-Q275 WeakPolarHBondContact O-CB 3.2Å; E271-Q275 VanDerWaalsContact O-CG 3.23Å; E271-Q275 WeakPolarHBondContact O-CG 3.31Å; E271-Q275 PolarHBondContact O-N 3.07Å; T272-Q275 PolarHBondContact O-N 3.11Å; V273-Q275 VanDerWaalsContact C-N 3.35Å; V273-Q275 PolarHBondContact O-N 2.87Å
276N95.8Very high90.7Very high114 Ų11457.8 Ų57.861%0.6131%0.306SS*.Hα-helixtrans-90.9-2.5-174.9-66-18.8000114.1T272 V273 E278T272-N276 VanDerWaalsContact CG2-ND2 3.32Å; T272-N276 WeakPolarHBondContact CG2-ND2 3.32Å; T272-N276 VanDerWaalsContact O-CB 3.28Å; T272-N276 WeakPolarHBondContact O-CB 3.39Å; T272-N276 VanDerWaalsContact O-CG 3.3Å; T272-N276 PolarHBondContact O-N 3.34Å; T272-N276 PolarHBondContact O-ND2 3.26Å; V273-N276 PolarHBondContact O-N 2.68Å; N276-E278 PolarHBondContact O-N 2.87Å; N276-E278 VanDerWaalsContact O-N 3.16Å
277M96.1Very high91.1Very high5 Ų555.3 Ų55.33%0.02529%0.289CS..PPolyproline II helixtrans-57.6122.9173.4-62.9-167.6-59.600109.8V213 F223 K227 I248 L258 V273 L274V213-M277 HydrophobicContact CG1-CE 4.36Å; V213-M277 HydrophobicContact CG2-CE 4.34Å; F223-M277 HydrophobicContact CZ-CB 4.04Å; K227-M277 HydrophobicContact CD-CB 4.4Å; K227-M277 VanDerWaalsContact CE-O 3.32Å; K227-M277 WeakPolarHBondContact CE-O 3.43Å; K227-M277 HydrophobicContact CG-CE 3.88Å; K227-M277 PolarHBondContact NZ-O 3.36Å; I248-M277 HydrophobicContact CG2-SD 3.91Å; L258-M277 HydrophobicContact CD1-CG 3.79Å; L258-M277 HydrophobicContact CD1-SD 3.82Å; V273-M277 WeakPolarHBondContact O-CG 3.49Å; V273-M277 PolarHBondContact O-N 3.01Å; L274-M277 HydrophobicContact CD2-CE 3.58Å; L274-M277 HydrophobicContact CD2-SD 4.23Å
278E94Very high91.6Very high158 Ų15854.1 Ų54.174%0.73828%0.282SS*.PPolyproline II helixtrans-100.4144.2173.4-65.9-174164.800109Q250 N276 L280Q250-E278 PolarHBondContact NE2-O 3.46Å; N276-E278 PolarHBondContact O-N 2.87Å; N276-E278 VanDerWaalsContact O-N 3.16Å; E278-L280 PolarHBondContact O-N 3.47Å
279H95.2Very high92.1Very high51 Ų5147.2 Ų47.224%0.23625%0.249CC..PPolyproline II helixtrans-62129176.2177.3-93.4000109.8S215 S216 L220 F223 G281S215-H279 PolarHBondContact O-NE2 2.99Å; S215-H279 WeakPolarHBondContact OG-CA 3.39Å; S216-H279 PolarHBondContact O-NE2 2.98Å; L220-H279 HydrophobicContact CD1-CB 4.41Å; F223-H279 HydrophobicContact CD1-CB 3.79Å; F223-H279 HydrophobicContact CE1-CB 3.98Å; F223-H279 HydrophobicContact CG-CB 4.33Å; H279-G281 WeakPolarHBondContact CE1-CA 3.4Å; H279-G281 PolarHBondContact CE1-N 2.8Å; H279-G281 VanDerWaalsContact CE1-N 3.28Å; H279-G281 PolarHBondContact ND1-N 2.95Å
280L91.4Very high92.4Very high94 Ų9442.5 Ų42.549%0.49223%0.228SC..  trans-86.1-33.6-176.2-61.2179.3000112.5S215 Q250 E278S215-L280 PolarHBondContact O-N 3.22Å; S215-L280 PolarHBondContact OG-N 3.5Å; Q250-L280 HydrophobicContact CG-CD1 3.95Å; Q250-L280 HydrophobicContact CG-CG 4.39Å; E278-L280 PolarHBondContact O-N 3.47Å
281G82.6Confident92.7Very high4 Ų445 Ų454%0.04124%0.243CC..  trans64.6-168.9-165.100000112.2S215 S252 H279S215-G281 WeakPolarHBondContact O-CA 3.36Å; S215-G281 PolarHBondContact O-N 3.09Å; S252-G281 WeakPolarHBondContact CB-O 3.32Å; S252-G281 PolarHBondContact OG-O 2.65Å; H279-G281 WeakPolarHBondContact CE1-CA 3.4Å; H279-G281 PolarHBondContact CE1-N 2.8Å; H279-G281 VanDerWaalsContact CE1-N 3.28Å; H279-G281 PolarHBondContact ND1-N 2.95Å
282S85.9Confident92.9Very high63 Ų6344 Ų4444%0.44124%0.239SC..SBendtrans88.2-179.9-174.1-149.90000114.9S216 E217S216-S282 WeakPolarHBondContact CB-O 3.48Å; E217-S282 PolarHBondContact N-O 2.73Å
283V82.6Confident93.1Very high65 Ų6541.4 Ų41.439%0.39422%0.224SC..  trans-65.7160.8175.7-62.90000111.1S252 K253 Y318S252-V283 CarbonylContact C-O 3.45Å; K253-V283 WeakPolarHBondContact CA-O 3.28Å; K253-V283 HydrophobicContact CB-CG2 3.88Å; K253-V283 HydrophobicContact CD-CG2 4.33Å; K253-V283 HydrophobicContact CG-CG2 3.93Å; K253-V283 PolarHBondContact N-O 3.5Å; V283-Y318 HydrophobicContact CB-CD2 3.86Å; V283-Y318 HydrophobicContact CB-CE2 4.05Å; V283-Y318 HydrophobicContact CG1-CD2 4.24Å; V283-Y318 HydrophobicContact CG1-CE2 4.05Å
284T85.3Confident93.1Very high4 Ų440.9 Ų40.93%0.02522%0.219CC..  trans-104.3125.1-175.8-43.40000110.9D214 S216 Y251 H316 Y318D214-T284 WeakPolarHBondContact OD2-CG2 3.5Å; S216-T284 WeakPolarHBondContact CB-OG1 3.47Å; S216-T284 PolarHBondContact OG-OG1 3.3Å; Y251-T284 HydrophobicContact CE2-CG2 3.82Å; T284-H316 WeakPolarHBondContact CB-O 3.25Å; T284-Y318 PolarHBondContact O-N 2.69Å
285N88.7Confident93.2Very high45 Ų4545.1 Ų45.124%0.24124%0.239CC..  trans-125.782.9175-173.2-21.6000109.4S252 S287 L288 A289 D319S252-N285 PolarHBondContact O-N 3.19Å; N285-S287 PolarHBondContact OD1-OG 3.04Å; N285-L288 HydrophobicContact CB-CB 4.42Å; N285-L288 WeakPolarHBondContact OD1-CB 3.45Å; N285-L288 PolarHBondContact OD1-N 3.26Å; N285-L288 VanDerWaalsContact OD1-N 3.09Å; N285-A289 PolarHBondContact O-N 2.8Å; N285-D319 PolarHBondContact OD1-OD1 2.68Å
286T93Very high93.4Very high0 Ų042.3 Ų42.30%023%0.226CC..Hα-helixtrans-71.8-39.5-174.8-58.80000110.9Y251 L288 A289 V290 L311 S317 D319 E351 Y355Y251-T286 PolarHBondContact OH-OG1 3.45Å; T286-L288 VanDerWaalsContact C-N 3.3Å; T286-L288 PolarHBondContact O-N 2.89Å; T286-A289 PolarHBondContact O-N 3.38Å; T286-A289 VanDerWaalsContact O-N 3.07Å; T286-V290 HydrophobicContact CG2-CG2 4.12Å; T286-V290 WeakPolarHBondContact O-CG2 3.47Å; T286-V290 PolarHBondContact O-N 2.8Å; T286-L311 HydrophobicContact CG2-CD1 4.25Å; T286-L311 HydrophobicContact CG2-CD2 3.8Å; T286-S317 WeakPolarHBondContact OG1-CB 3.41Å; T286-D319 PolarHBondContact N-OD2 3.17Å; T286-E351 WeakPolarHBondContact CB-OE1 3.35Å; T286-E351 WeakPolarHBondContact CG2-OE1 3.35Å; T286-E351 PolarHBondContact OG1-OE1 2.97Å; T286-Y355 HydrophobicContact CG2-CE2 3.87Å
287S93.2Very high93.4Very high7 Ų737.1 Ų37.15%0.04920%0.198CC..Hα-helixtrans-60-39.9-179.976.10000112.2N285 T291 D319 T327N285-S287 PolarHBondContact OD1-OG 3.04Å; S287-T291 WeakPolarHBondContact O-CB 3.5Å; S287-T291 PolarHBondContact O-N 3.09Å; S287-T291 PolarHBondContact O-OG1 3.01Å; S287-D319 WeakPolarHBondContact CB-OD2 3.45Å; S287-D319 PolarHBondContact N-OD2 3.19Å; S287-D319 PolarHBondContact OG-OD1 3.08Å; S287-D319 PolarHBondContact OG-OD2 3.45Å; S287-T327 WeakPolarHBondContact O-CG2 3.28Å
288L95.1Very high93.3Very high62 Ų6241.5 Ų41.533%0.32523%0.225SC..Hα-helixtrans-64.3-45.2173.417862.6000111.6A255 N285 T286 V290 T291 V292A255-L288 HydrophobicContact CB-CG 4.29Å; N285-L288 HydrophobicContact CB-CB 4.42Å; N285-L288 WeakPolarHBondContact OD1-CB 3.45Å; N285-L288 PolarHBondContact OD1-N 3.26Å; N285-L288 VanDerWaalsContact OD1-N 3.09Å; T286-L288 VanDerWaalsContact C-N 3.3Å; T286-L288 PolarHBondContact O-N 2.89Å; L288-V290 VanDerWaalsContact C-N 3.35Å; L288-V290 PolarHBondContact O-N 2.92Å; L288-T291 WeakPolarHBondContact O-CB 3.44Å; L288-T291 PolarHBondContact O-N 2.82Å; L288-V292 HydrophobicContact CD1-CG2 4.5Å; L288-V292 WeakPolarHBondContact O-CG2 3.46Å; L288-V292 PolarHBondContact O-N 3.33Å
289A97Very high93.3Very high0 Ų041.9 Ų41.90%023%0.227CC..Hα-helixtrans-64.6-40-179.100000112.3V212 Y251 A255 N285 T286 V292 G293V212-A289 HydrophobicContact CG1-CB 3.65Å; Y251-A289 HydrophobicContact CD1-CB 3.53Å; Y251-A289 HydrophobicContact CD2-CB 3.56Å; Y251-A289 HydrophobicContact CE1-CB 3.98Å; Y251-A289 HydrophobicContact CE2-CB 4.01Å; Y251-A289 HydrophobicContact CG-CB 3.29Å; A255-A289 HydrophobicContact CB-CB 3.95Å; N285-A289 PolarHBondContact O-N 2.8Å; T286-A289 PolarHBondContact O-N 3.38Å; T286-A289 VanDerWaalsContact O-N 3.07Å; A289-V292 PolarHBondContact O-N 3.13Å; A289-G293 PolarHBondContact O-N 2.85Å
290V97.7Very high93.2Very high0 Ų040.2 Ų40.20%022%0.224CC..Hα-helixtrans-66.2-40.7174.6178.30000110.9T286 L288 V292 G293 I294 F309 L311 T327 L331 Y355T286-V290 HydrophobicContact CG2-CG2 4.12Å; T286-V290 WeakPolarHBondContact O-CG2 3.47Å; T286-V290 PolarHBondContact O-N 2.8Å; L288-V290 VanDerWaalsContact C-N 3.35Å; L288-V290 PolarHBondContact O-N 2.92Å; V290-V292 PolarHBondContact O-N 3.11Å; V290-G293 CarbonylContact O-C 3.59Å; V290-G293 PolarHBondContact O-N 3.33Å; V290-G293 VanDerWaalsContact O-N 3.14Å; V290-I294 HydrophobicContact CG1-CD1 4.02Å; V290-I294 HydrophobicContact CG1-CG1 4.38Å; V290-I294 WeakPolarHBondContact O-CG1 3.32Å; V290-I294 PolarHBondContact O-N 2.97Å; V290-F309 HydrophobicContact CB-CZ 4.39Å; V290-F309 HydrophobicContact CG1-CE1 4.5Å; V290-F309 HydrophobicContact CG1-CZ 4.05Å; V290-F309 HydrophobicContact CG2-CE1 4.46Å; V290-F309 HydrophobicContact CG2-CZ 4.35Å; V290-L311 HydrophobicContact CG2-CD1 4.24Å; V290-L311 HydrophobicContact CG2-CD2 4.07Å; V290-T327 HydrophobicContact CB-CG2 3.66Å; V290-T327 HydrophobicContact CG1-CG2 3.56Å; V290-L331 HydrophobicContact CG1-CB 4.04Å; V290-L331 HydrophobicContact CG1-CD1 4.32Å; V290-L331 HydrophobicContact CG1-CD2 3.92Å; V290-L331 HydrophobicContact CG1-CG 4.3Å; V290-Y355 HydrophobicContact CB-CE1 4.19Å; V290-Y355 HydrophobicContact CG1-CD1 4.47Å; V290-Y355 HydrophobicContact CG1-CE1 4.01Å; V290-Y355 HydrophobicContact CG2-CD1 4.35Å; V290-Y355 HydrophobicContact CG2-CE1 3.85Å
291T97.8Very high93.4Very high54 Ų5436.3 Ų36.333%0.33121%0.205SC..Hα-helixtrans-58.4-49174.8-59.20000111.7S287 L288 G293 I294 E295S287-T291 WeakPolarHBondContact O-CB 3.5Å; S287-T291 PolarHBondContact O-N 3.09Å; S287-T291 PolarHBondContact O-OG1 3.01Å; L288-T291 WeakPolarHBondContact O-CB 3.44Å; L288-T291 PolarHBondContact O-N 2.82Å; T291-G293 VanDerWaalsContact C-N 3.26Å; T291-G293 PolarHBondContact O-N 3.14Å; T291-I294 WeakPolarHBondContact O-CB 3.38Å; T291-I294 PolarHBondContact O-N 3.49Å; T291-I294 VanDerWaalsContact O-N 3.13Å; T291-E295 PolarHBondContact O-N 2.8Å
292V98.3Very high93.9Very high20 Ų2038.5 Ų38.512%0.12121%0.212CC..Hα-helixtrans-60.4-38.31761740000111I249 A255 V257 L288 A289 V290 E295 Q296I249-V292 HydrophobicContact CD1-CB 4.46Å; I249-V292 HydrophobicContact CD1-CG1 3.88Å; I249-V292 HydrophobicContact CG1-CG1 4.32Å; I249-V292 HydrophobicContact CG2-CG1 4.41Å; A255-V292 HydrophobicContact CB-CB 4.31Å; A255-V292 HydrophobicContact CB-CG2 4.01Å; V257-V292 HydrophobicContact CG2-CG1 3.55Å; L288-V292 HydrophobicContact CD1-CG2 4.5Å; L288-V292 WeakPolarHBondContact O-CG2 3.46Å; L288-V292 PolarHBondContact O-N 3.33Å; A289-V292 PolarHBondContact O-N 3.13Å; V290-V292 PolarHBondContact O-N 3.11Å; V292-E295 WeakPolarHBondContact O-CB 3.34Å; V292-E295 PolarHBondContact O-N 2.75Å; V292-Q296 WeakPolarHBondContact O-CG 3.49Å; V292-Q296 PolarHBondContact O-N 2.8Å; V292-Q296 VanDerWaalsContact O-N 3.08Å
293G98.2Very high94.1Very high0 Ų043.1 Ų43.10%023%0.232CC..Hα-helixtrans-66.8-36.8175.500000113.7I249 A289 V290 T291 E295 Q296 L297I249-G293 VanDerWaalsContact CD1-CA 3.41Å; A289-G293 PolarHBondContact O-N 2.85Å; V290-G293 CarbonylContact O-C 3.59Å; V290-G293 PolarHBondContact O-N 3.33Å; V290-G293 VanDerWaalsContact O-N 3.14Å; T291-G293 VanDerWaalsContact C-N 3.26Å; T291-G293 PolarHBondContact O-N 3.14Å; G293-E295 VanDerWaalsContact C-N 3.33Å; G293-Q296 PolarHBondContact O-N 2.99Å; G293-L297 PolarHBondContact O-N 2.85Å
294I98.1Very high94.4Very high24 Ų2445 Ų4512%0.12324%0.24CC..Hα-helixtrans-63.4-40.7173-68.4164000110.4V290 T291 Q296 L297 T298 T327 A330 L331 T334V290-I294 HydrophobicContact CG1-CD1 4.02Å; V290-I294 HydrophobicContact CG1-CG1 4.38Å; V290-I294 WeakPolarHBondContact O-CG1 3.32Å; V290-I294 PolarHBondContact O-N 2.97Å; T291-I294 WeakPolarHBondContact O-CB 3.38Å; T291-I294 PolarHBondContact O-N 3.49Å; T291-I294 VanDerWaalsContact O-N 3.13Å; I294-Q296 VanDerWaalsContact C-N 3.32Å; I294-Q296 PolarHBondContact O-N 3.25Å; I294-L297 PolarHBondContact O-N 3.49Å; I294-T298 HydrophobicContact CG2-CG2 4.2Å; I294-T298 WeakPolarHBondContact O-CB 3.41Å; I294-T298 WeakPolarHBondContact O-CG2 3.22Å; I294-T298 PolarHBondContact O-N 3.07Å; I294-T298 PolarHBondContact O-OG1 3.31Å; I294-T327 HydrophobicContact CD1-CG2 4.38Å; I294-A330 HydrophobicContact CD1-CB 3.87Å; I294-L331 HydrophobicContact CD1-CB 4.01Å; I294-L331 HydrophobicContact CG1-CB 4.35Å; I294-L331 HydrophobicContact CG1-CD1 3.98Å; I294-T334 HydrophobicContact CG1-CG2 4.18Å; I294-T334 HydrophobicContact CG2-CG2 3.95Å
295E97.7Very high94.7Very high91 Ų9145.5 Ų45.543%0.42524%0.243SC..Hα-helixtrans-59.2-43.7173.8-69.1172.6177.500110.9T291 V292 G293 L297 T298 E299T291-E295 PolarHBondContact O-N 2.8Å; V292-E295 WeakPolarHBondContact O-CB 3.34Å; V292-E295 PolarHBondContact O-N 2.75Å; G293-E295 VanDerWaalsContact C-N 3.33Å; E295-L297 VanDerWaalsContact C-N 3.33Å; E295-L297 PolarHBondContact O-N 3.01Å; E295-T298 WeakPolarHBondContact CA-OG1 3.37Å; E295-T298 PolarHBondContact O-N 3.33Å; E295-T298 PolarHBondContact O-OG1 2.79Å; E295-E299 WeakPolarHBondContact O-CB 3.46Å; E295-E299 PolarHBondContact O-N 3.44Å
296Q97.8Very high94.8Very high27 Ų2744.8 Ų44.813%0.12624%0.239CC..Iπ-helixtrans-61-40.6175.2-63.5-58.5-66.300112.3V210 S247 I249 L261 V292 G293 I294 G300 A301V210-Q296 HydrophobicContact CG2-CB 4.03Å; S247-Q296 WeakPolarHBondContact OG-CG 3.45Å; I249-Q296 HydrophobicContact CD1-CG 4.03Å; L261-Q296 HydrophobicContact CB-CB 4.31Å; L261-Q296 WeakPolarHBondContact CD2-O 3.43Å; V292-Q296 WeakPolarHBondContact O-CG 3.49Å; V292-Q296 PolarHBondContact O-N 2.8Å; V292-Q296 VanDerWaalsContact O-N 3.08Å; G293-Q296 PolarHBondContact O-N 2.99Å; I294-Q296 VanDerWaalsContact C-N 3.32Å; I294-Q296 PolarHBondContact O-N 3.25Å; Q296-G300 CarbonylContact O-C 3.55Å; Q296-G300 VanDerWaalsContact O-CA 3.32Å; Q296-G300 WeakPolarHBondContact O-CA 3.45Å; Q296-G300 PolarHBondContact O-N 2.79Å; Q296-A301 PolarHBondContact O-N 3.42Å
297L96.1Very high94.8Very high6 Ų646.9 Ų46.93%0.03125%0.248CC..Iπ-helixtrans-66.5-37.4175.8-75.1179.6000113.4V210 G293 I294 E295 A301 K307 F309 T334 A336V210-L297 HydrophobicContact CB-CD2 4.34Å; V210-L297 HydrophobicContact CB-CG 4.41Å; V210-L297 HydrophobicContact CG2-CD2 3.54Å; V210-L297 HydrophobicContact CG2-CG 3.74Å; G293-L297 PolarHBondContact O-N 2.85Å; I294-L297 PolarHBondContact O-N 3.49Å; E295-L297 VanDerWaalsContact C-N 3.33Å; E295-L297 PolarHBondContact O-N 3.01Å; L297-A301 WeakPolarHBondContact O-CB 3.27Å; L297-K307 HydrophobicContact CD2-CB 4.02Å; L297-K307 HydrophobicContact CD2-CD 4.39Å; L297-K307 HydrophobicContact CD2-CG 4.29Å; L297-F309 HydrophobicContact CD1-CB 4.37Å; L297-F309 HydrophobicContact CD1-CD2 3.75Å; L297-F309 HydrophobicContact CG-CD2 4.38Å; L297-T334 HydrophobicContact CD1-CG2 4.15Å; L297-A336 HydrophobicContact CD1-CB 3.71Å
298T94.5Very high94.9Very high96 Ų9646.5 Ų46.559%0.58925%0.246SC*.Iπ-helixtrans-85.2-35.4-172.848.40000112.6I294 E295I294-T298 HydrophobicContact CG2-CG2 4.2Å; I294-T298 WeakPolarHBondContact O-CB 3.41Å; I294-T298 WeakPolarHBondContact O-CG2 3.22Å; I294-T298 PolarHBondContact O-N 3.07Å; I294-T298 PolarHBondContact O-OG1 3.31Å; E295-T298 WeakPolarHBondContact CA-OG1 3.37Å; E295-T298 PolarHBondContact O-N 3.33Å; E295-T298 PolarHBondContact O-OG1 2.79Å
299E94.2Very high95Very high166 Ų16643.6 Ų43.678%0.77623%0.23SC*.Iπ-helixtrans-99.2-33.4-176.7-58.8-171.517000113.1E295E295-E299 WeakPolarHBondContact O-CB 3.46Å; E295-E299 PolarHBondContact O-N 3.44Å
300G92.6Very high95Very high16 Ų1643.6 Ų43.617%0.16523%0.23CC..Iπ-helixtrans-105.6-22.1-171.500000115.3G262 Q296G262-G300 WeakPolarHBondContact CA-O 3.23Å; G262-G300 PolarHBondContact N-O 3.37Å; Q296-G300 CarbonylContact O-C 3.55Å; Q296-G300 VanDerWaalsContact O-CA 3.32Å; Q296-G300 WeakPolarHBondContact O-CA 3.45Å; Q296-G300 PolarHBondContact O-N 2.79Å
301A94.4Very high95Very high13 Ų1343.6 Ų43.611%0.10723%0.23CC..SBendtrans-78147-177.100000111.7D208 L261 Q296 L297 K307D208-A301 HydrophobicContact CB-CB 4.22Å; D208-A301 WeakPolarHBondContact OD2-CA 3.32Å; L261-A301 HydrophobicContact CD2-CB 3.55Å; Q296-A301 PolarHBondContact O-N 3.42Å; L297-A301 WeakPolarHBondContact O-CB 3.27Å; A301-K307 HydrophobicContact CB-CD 4.07Å; A301-K307 HydrophobicContact CB-CG 4.21Å
302R93.9Very high95Very high49 Ų4941 Ų4119%0.18522%0.215CC..  trans-72.5144.8176.7-63169.6-77-179.63.2109.8V207 D208 S243 D304 S305 K307V207-R302 PolarHBondContact O-NH2 3.45Å; D208-R302 IonicContact OD1-CZ 2.79Å; D208-R302 IonicContact OD1-NE 3.43Å; D208-R302 PolarHBondContact OD1-NE 3.42Å; D208-R302 IonicContact OD1-NH2 2.91Å; D208-R302 PolarHBondContact OD1-NH2 2.56Å; D208-R302 WeakPolarHBondContact OD2-CB 3.35Å; D208-R302 PolarHBondContact OD2-N 2.68Å; D208-R302 IonicContact OD2-NE 3.63Å; D208-R302 PolarHBondContact OD2-NE 3.11Å; S243-R302 PolarHBondContact O-NH2 3.15Å; S243-R302 PolarHBondContact OG-NH1 3.23Å; R302-D304 VanDerWaalsContact C-N 3.34Å; R302-D304 PolarHBondContact O-N 3.36Å; R302-S305 PolarHBondContact O-N 3.28Å; R302-S305 PolarHBondContact O-OG 2.8Å; R302-K307 WeakPolarHBondContact O-CE 3.14Å; R302-K307 PolarHBondContact O-NZ 3.42Å
303N89.8Confident94.8Very high161 Ų16140 Ų4086%0.86121%0.209SC*.THydrogen-bonded Turntrans-67.4-35.5-177-76.2-23.5000112.8
304D88.8Confident94.2Very high105 Ų10540.1 Ų40.156%0.56121%0.209SC*.THydrogen-bonded Turntrans-90.74.1-177.164.5-34.7000114R302R302-D304 VanDerWaalsContact C-N 3.34Å; R302-D304 PolarHBondContact O-N 3.36Å
305S90.9Very high93.4Very high13 Ų1339 Ų399%0.09120%0.203CC..SBendtrans-85.2151.9-179.367.30000114.1P206 D208 R302 K307P206-S305 CarbonylContact O-C 3.59Å; P206-S305 WeakPolarHBondContact O-CA 3.43Å; P206-S305 WeakPolarHBondContact O-CB 3.07Å; D208-S305 VanDerWaalsContact CG-OG 3.29Å; D208-S305 WeakPolarHBondContact OD2-CB 3.46Å; D208-S305 PolarHBondContact OD2-OG 3.24Å; R302-S305 PolarHBondContact O-N 3.28Å; R302-S305 PolarHBondContact O-OG 2.8Å; S305-K307 PolarHBondContact O-N 3.41Å
306I91Very high92.6Very high30 Ų3038 Ų3815%0.15420%0.198CC..EExtended strand (participates in β ladder)trans-71.6116.4159.9-57.4174.7000107.1K205 P206 V207 D208 I308 K337 V379K205-I306 HydrophobicContact CB-CG1 4.41Å; P206-I306 PolarHBondContact O-N 2.57Å; V207-I306 WeakPolarHBondContact CA-O 3.4Å; V207-I306 HydrophobicContact CG2-CB 4.46Å; D208-I306 PolarHBondContact N-O 2.68Å; I306-I308 HydrophobicContact CG2-CG1 4.29Å; I306-K337 HydrophobicContact CG2-CD 4.43Å; I306-V379 HydrophobicContact CG2-CG1 4.43Å
307K94.2Very high91.9Very high44 Ų4437.8 Ų37.819%0.19120%0.2CC..EExtended strand (participates in β ladder)trans-95.7126.6179.7-65.9174.2-173.764.10109.9D208 L297 A301 R302 S305 A336 K337D208-K307 CarbonylContact O-C 3.54Å; D208-K307 WeakPolarHBondContact O-CA 3.32Å; L297-K307 HydrophobicContact CD2-CB 4.02Å; L297-K307 HydrophobicContact CD2-CD 4.39Å; L297-K307 HydrophobicContact CD2-CG 4.29Å; A301-K307 HydrophobicContact CB-CD 4.07Å; A301-K307 HydrophobicContact CB-CG 4.21Å; R302-K307 WeakPolarHBondContact O-CE 3.14Å; R302-K307 PolarHBondContact O-NZ 3.42Å; S305-K307 PolarHBondContact O-N 3.41Å; K307-A336 HydrophobicContact CB-CB 3.93Å; K307-A336 WeakPolarHBondContact O-CA 3.44Å; K307-K337 PolarHBondContact O-N 3.13Å
308I95Very high91.2Very high0 Ų046.2 Ų46.20%023%0.233CC..EExtended strand (participates in β ladder)trans-123.1133.3177.5-50.2178.2000108.2V207 D208 V209 V210 I306 I310 K337 V375 V379V207-I308 HydrophobicContact CG1-CD1 4.01Å; D208-I308 PolarHBondContact O-N 3.36Å; V209-I308 CarbonylContact C-O 3.47Å; V209-I308 WeakPolarHBondContact CA-O 3.37Å; V209-I308 HydrophobicContact CG1-CB 4.46Å; V209-I308 HydrophobicContact CG2-CB 4.35Å; V209-I308 HydrophobicContact CG2-CD1 4.29Å; V210-I308 PolarHBondContact N-O 2.88Å; I306-I308 HydrophobicContact CG2-CG1 4.29Å; I308-I310 HydrophobicContact CG2-CD1 4.22Å; I308-I310 HydrophobicContact CG2-CG1 3.86Å; I308-K337 CarbonylContact C-O 3.57Å; I308-K337 VanDerWaalsContact CA-O 3.31Å; I308-K337 WeakPolarHBondContact CA-O 3.12Å; I308-V375 HydrophobicContact CD1-CG1 4.13Å; I308-V379 HydrophobicContact CD1-CG1 3.45Å; I308-V379 VanDerWaalsContact CD1-CG1 3.45Å
309F97.5Very high90.7Very high0 Ų042.8 Ų42.80%021%0.211CC..EExtended strand (participates in β ladder)trans-116.7124.7173.8-167.9-79.3000109V210 V212 V290 L297 L311 L331 A336 K337 I338 I339V210-F309 HydrophobicContact CB-CD2 3.99Å; V210-F309 HydrophobicContact CB-CE2 4.42Å; V210-F309 HydrophobicContact CG1-CD2 3.92Å; V210-F309 HydrophobicContact CG1-CE2 3.85Å; V210-F309 CarbonylContact O-C 3.57Å; V210-F309 WeakPolarHBondContact O-CA 3.14Å; V212-F309 HydrophobicContact CB-CZ 4.43Å; V212-F309 HydrophobicContact CG2-CE1 3.93Å; V212-F309 HydrophobicContact CG2-CE2 4.05Å; V212-F309 HydrophobicContact CG2-CZ 3.47Å; V212-F309 VanDerWaalsContact CG2-CZ 3.47Å; V290-F309 HydrophobicContact CB-CZ 4.39Å; V290-F309 HydrophobicContact CG1-CE1 4.5Å; V290-F309 HydrophobicContact CG1-CZ 4.05Å; V290-F309 HydrophobicContact CG2-CE1 4.46Å; V290-F309 HydrophobicContact CG2-CZ 4.35Å; L297-F309 HydrophobicContact CD1-CB 4.37Å; L297-F309 HydrophobicContact CD1-CD2 3.75Å; L297-F309 HydrophobicContact CG-CD2 4.38Å; F309-L311 HydrophobicContact CE1-CB 4.14Å; F309-L331 HydrophobicContact CB-CD1 4.17Å; F309-L331 HydrophobicContact CD1-CD1 3.92Å; F309-L331 HydrophobicContact CD1-CD2 3.98Å; F309-L331 HydrophobicContact CD2-CD1 3.55Å; F309-L331 HydrophobicContact CE1-CD1 4.16Å; F309-L331 HydrophobicContact CE1-CD2 4.04Å; F309-L331 HydrophobicContact CE2-CD1 3.76Å; F309-L331 HydrophobicContact CG-CD1 3.61Å; F309-L331 HydrophobicContact CG-CD2 4.49Å; F309-L331 HydrophobicContact CZ-CD1 4.07Å; F309-A336 HydrophobicContact CB-CB 4.33Å; F309-K337 PolarHBondContact N-O 3.37Å; F309-I338 HydrophobicContact CB-CG1 4.28Å; F309-I338 CarbonylContact O-C 3.59Å; F309-I338 WeakPolarHBondContact O-CA 3.34Å; F309-I339 PolarHBondContact O-N 3.28Å
310I97.5Very high90.4Very high0 Ų037.9 Ų37.90%019%0.194CC..EExtended strand (participates in β ladder)trans-122.3114-178.1-52.7175.7000108V209 V210 L211 V212 M233 I308 M312 I339 L371 V375V209-I310 HydrophobicContact CG1-CD1 3.77Å; V209-I310 HydrophobicContact CG1-CG1 4.32Å; V210-I310 PolarHBondContact O-N 3.24Å; L211-I310 HydrophobicContact CD1-CB 3.87Å; L211-I310 HydrophobicContact CD1-CG2 3.81Å; V212-I310 PolarHBondContact N-O 3.31Å; M233-I310 HydrophobicContact CE-CD1 4.35Å; M233-I310 HydrophobicContact SD-CD1 3.25Å; M233-I310 WeakPolarHBondContact SD-CD1 3.5Å; I308-I310 HydrophobicContact CG2-CD1 4.22Å; I308-I310 HydrophobicContact CG2-CG1 3.86Å; I310-M312 HydrophobicContact CG2-CE 4.31Å; I310-M312 HydrophobicContact CG2-CG 4.25Å; I310-I339 CarbonylContact C-O 3.55Å; I310-I339 VanDerWaalsContact CA-O 3.29Å; I310-I339 WeakPolarHBondContact CA-O 3.41Å; I310-I339 HydrophobicContact CG1-CB 4.33Å; I310-I339 HydrophobicContact CG2-CB 4.47Å; I310-L371 HydrophobicContact CD1-CD1 4.35Å; I310-L371 HydrophobicContact CG2-CD1 4.02Å; I310-V375 HydrophobicContact CD1-CG2 3.72Å
311L97Very high90.2Very high0 Ų043.3 Ų43.30%021%0.209CC..EExtended strand (participates in β ladder)trans-101.3118.9172.6-178.461.9000109.2V212 Y251 T286 V290 F309 T313 I339 I340 F341 Y355V212-L311 HydrophobicContact CB-CD1 3.93Å; V212-L311 HydrophobicContact CG1-CD1 3.76Å; Y251-L311 HydrophobicContact CE1-CD1 4.08Å; T286-L311 HydrophobicContact CG2-CD1 4.25Å; T286-L311 HydrophobicContact CG2-CD2 3.8Å; V290-L311 HydrophobicContact CG2-CD1 4.24Å; V290-L311 HydrophobicContact CG2-CD2 4.07Å; F309-L311 HydrophobicContact CE1-CB 4.14Å; L311-T313 HydrophobicContact CD1-CG2 4.4Å; L311-T313 HydrophobicContact CD2-CG2 3.97Å; L311-T313 HydrophobicContact CG-CG2 3.85Å; L311-I339 PolarHBondContact N-O 2.9Å; L311-I340 HydrophobicContact CB-CD1 3.75Å; L311-I340 HydrophobicContact CD2-CD1 4.07Å; L311-I340 HydrophobicContact CG-CD1 4.49Å; L311-I340 CarbonylContact O-C 3.58Å; L311-I340 WeakPolarHBondContact O-CA 3.35Å; L311-F341 PolarHBondContact O-N 2.82Å; L311-Y355 HydrophobicContact CD2-CD2 4.23Å; L311-Y355 HydrophobicContact CD2-CG 4.38Å
312M96.6Very high90Very high0 Ų047.4 Ų47.40%023%0.229CC..EExtended strand (participates in β ladder)trans-105.8109.7175-58-176.6157.300109.4L211 V212 V213 D214 Y226 A230 I310 F341 L371L211-M312 HydrophobicContact CD1-CE 3.69Å; L211-M312 HydrophobicContact CD1-CG 4.17Å; L211-M312 HydrophobicContact CD1-SD 3.87Å; V212-M312 PolarHBondContact O-N 3.14Å; V213-M312 HydrophobicContact CG1-SD 4.36Å; V213-M312 HydrophobicContact CG2-SD 4.08Å; D214-M312 WeakPolarHBondContact CB-O 3.35Å; D214-M312 PolarHBondContact N-O 3.28Å; Y226-M312 HydrophobicContact CD1-CB 3.73Å; Y226-M312 HydrophobicContact CD1-CG 4.26Å; Y226-M312 HydrophobicContact CD1-SD 4.13Å; Y226-M312 HydrophobicContact CD2-CB 4.35Å; Y226-M312 HydrophobicContact CE1-CB 3.91Å; Y226-M312 HydrophobicContact CG-CB 3.97Å; Y226-M312 HydrophobicContact CG-SD 4.21Å; A230-M312 HydrophobicContact CB-CE 4.02Å; A230-M312 HydrophobicContact CB-SD 4.36Å; I310-M312 HydrophobicContact CG2-CE 4.31Å; I310-M312 HydrophobicContact CG2-CG 4.25Å; M312-F341 WeakPolarHBondContact CA-O 3Å; M312-F341 HydrophobicContact CE-CD1 4.12Å; M312-F341 HydrophobicContact CE-CG 4.47Å; M312-F341 HydrophobicContact CG-CB 4.09Å; M312-F341 HydrophobicContact CG-CD1 4.19Å; M312-L371 HydrophobicContact CE-CD2 3.17Å
313T94.1Very high89.9Confident0 Ų050.2 Ų50.20%024%0.243CC..  trans-163.7158.2-177.5-176.80000111.6D214 Y226 Y251 L311 G315 F341 A342 L352D214-T313 WeakPolarHBondContact OD2-CB 3.39Å; D214-T313 PolarHBondContact OD2-OG1 3.18Å; Y226-T313 WeakPolarHBondContact OH-CA 3.22Å; Y226-T313 PolarHBondContact OH-N 3.03Å; Y226-T313 PolarHBondContact OH-O 3.5Å; Y251-T313 WeakPolarHBondContact OH-CB 3.14Å; Y251-T313 PolarHBondContact OH-OG1 2.93Å; L311-T313 HydrophobicContact CD1-CG2 4.4Å; L311-T313 HydrophobicContact CD2-CG2 3.97Å; L311-T313 HydrophobicContact CG-CG2 3.85Å; T313-G315 PolarHBondContact OG1-N 3.46Å; T313-F341 PolarHBondContact N-O 3.47Å; T313-A342 WeakPolarHBondContact O-CA 3.38Å; T313-L352 HydrophobicContact CG2-CD2 3.35Å
314D86.3Confident89.9Confident1 Ų142.6 Ų42.61%0.00520%0.202CC..  trans-89.7-0.5173.266.4-5.3000113.4S218 V219 Y226 H316 A343 V347 D348S218-D314 WeakPolarHBondContact CB-OD2 3.36Å; S218-D314 PolarHBondContact OG-OD1 3.22Å; S218-D314 PolarHBondContact OG-OD2 2.9Å; V219-D314 HydrophobicContact CG1-CB 3.89Å; V219-D314 VanDerWaalsContact CG1-CG 3.46Å; Y226-D314 PolarHBondContact OH-N 3.45Å; D314-H316 IonicContact OD1-CD2 3.85Å; D314-H316 PolarHBondContact OD1-N 2.71Å; D314-H316 IonicContact OD2-CD2 3.68Å; D314-A343 WeakPolarHBondContact CB-O 3.46Å; D314-V347 HydrophobicContact CB-CG2 4.42Å; D314-V347 CarbonylContact O-C 3.5Å; D314-V347 VanDerWaalsContact O-CA 3.27Å; D314-V347 WeakPolarHBondContact O-CA 3.46Å; D314-V347 WeakPolarHBondContact O-CG1 3.33Å; D314-D348 PolarHBondContact O-N 2.91Å
315G82.2Confident90Very high0 Ų040.2 Ų40.20%019%0.189CC..SBendtrans83.611.2173.400000116T313 S317T313-G315 PolarHBondContact OG1-N 3.46Å; G315-S317 PolarHBondContact O-N 3.45Å
316H80.4Confident90.1Very high70 Ų7044.7 Ų44.732%0.32421%0.212SC..  trans-91.750.2-179.9-74.9-79.8000113.7T284 D314 T346T284-H316 WeakPolarHBondContact CB-O 3.25Å; D314-H316 IonicContact OD1-CD2 3.85Å; D314-H316 PolarHBondContact OD1-N 2.71Å; D314-H316 IonicContact OD2-CD2 3.68Å; H316-T346 PolarHBondContact CD2-O 2.93Å; H316-T346 VanDerWaalsContact CD2-O 3.28Å; H316-T346 PolarHBondContact NE2-O 2.93Å
317S82.7Confident90.3Very high24 Ų2444 Ų4417%0.16821%0.209CC..  trans-71.5150.8177.584.10000112.8T286 G315 D319 E351T286-S317 WeakPolarHBondContact OG1-CB 3.41Å; G315-S317 PolarHBondContact O-N 3.45Å; S317-D319 WeakPolarHBondContact CB-OD2 3.48Å; S317-D319 PolarHBondContact O-N 2.82Å; S317-D319 WeakPolarHBondContact OG-CB 3.27Å; S317-D319 PolarHBondContact OG-N 3.38Å; S317-D319 PolarHBondContact OG-OD2 2.8Å; S317-E351 WeakPolarHBondContact CB-OE1 3.48Å; S317-E351 WeakPolarHBondContact CB-OE2 3.27Å; S317-E351 PolarHBondContact N-OE2 3.35Å; S317-E351 VanDerWaalsContact N-OE2 3.15Å; S317-E351 PolarHBondContact OG-OE1 3.41Å; S317-E351 VanDerWaalsContact OG-OE1 3.11Å; S317-E351 PolarHBondContact OG-OE2 2.96Å
318Y81.2Confident90.3Very high183 Ų18342 Ų4272%0.71820%0.201SC*.  trans-90.220169.6-74.9-95.4000111.9V283 T284V283-Y318 HydrophobicContact CB-CD2 3.86Å; V283-Y318 HydrophobicContact CB-CE2 4.05Å; V283-Y318 HydrophobicContact CG1-CD2 4.24Å; V283-Y318 HydrophobicContact CG1-CE2 4.05Å; T284-Y318 PolarHBondContact O-N 2.69Å
319D85.4Confident90.2Very high23 Ų2346.2 Ų46.212%0.12322%0.223CC..  trans-76.8139.6-174.5-72.4-57.8000112.2N285 T286 S287 S317 W321 V324N285-D319 PolarHBondContact OD1-OD1 2.68Å; T286-D319 PolarHBondContact N-OD2 3.17Å; S287-D319 WeakPolarHBondContact CB-OD2 3.45Å; S287-D319 PolarHBondContact N-OD2 3.19Å; S287-D319 PolarHBondContact OG-OD1 3.08Å; S287-D319 PolarHBondContact OG-OD2 3.45Å; S317-D319 WeakPolarHBondContact CB-OD2 3.48Å; S317-D319 PolarHBondContact O-N 2.82Å; S317-D319 WeakPolarHBondContact OG-CB 3.27Å; S317-D319 PolarHBondContact OG-N 3.38Å; S317-D319 PolarHBondContact OG-OD2 2.8Å; D319-W321 PolarHBondContact O-N 2.89Å; D319-V324 HydrophobicContact CB-CG2 3.75Å
320P87Confident90.1Very high64 Ų6448.4 Ų48.442%0.41624%0.242SC..  trans-56.4135.1163.9-24.635.2000111D322 K323 V324P320-D322 VanDerWaalsContact C-N 3.26Å; P320-D322 WeakPolarHBondContact CB-OD1 3.42Å; P320-D322 PolarHBondContact O-N 2.92Å; P320-K323 HydrophobicContact CB-CG 4.37Å; P320-K323 HydrophobicContact CG-CD 4.41Å; P320-K323 WeakPolarHBondContact O-CA 3.32Å; P320-K323 WeakPolarHBondContact O-CB 3.46Å; P320-K323 PolarHBondContact O-N 2.88Å; P320-V324 PolarHBondContact O-N 3.25Å
321W88.3Confident90.1Very high130 Ų13048.4 Ų48.449%0.49224%0.242SC..Hα-helixtrans-61.7-31.4-173.3-167.5-111.7000114.2D319 K323 V324 L325 S350 E351 V354D319-W321 PolarHBondContact O-N 2.89Å; W321-K323 VanDerWaalsContact C-N 3.31Å; W321-K323 PolarHBondContact O-N 3.37Å; W321-V324 HydrophobicContact CE3-CB 4.21Å; W321-V324 HydrophobicContact CE3-CG1 4.31Å; W321-V324 HydrophobicContact CE3-CG2 4.28Å; W321-V324 HydrophobicContact CZ3-CG1 4.17Å; W321-V324 PolarHBondContact O-N 2.98Å; W321-L325 WeakPolarHBondContact O-CG 3.41Å; W321-L325 PolarHBondContact O-N 3.44Å; W321-S350 WeakPolarHBondContact CH2-O 3.26Å; W321-E351 HydrophobicContact CZ3-CB 4.27Å; W321-V354 HydrophobicContact CH2-CG2 3.57Å; W321-V354 HydrophobicContact CZ2-CG2 3.53Å
322D90Very high89.8Confident98 Ų9850.9 Ų50.952%0.52425%0.253SS..Hα-helixtrans-60.1-41.117258.5-41.8000111.5P320 L325 D326P320-D322 VanDerWaalsContact C-N 3.26Å; P320-D322 WeakPolarHBondContact CB-OD1 3.42Å; P320-D322 PolarHBondContact O-N 2.92Å; D322-L325 PolarHBondContact O-N 3.42Å; D322-D326 WeakPolarHBondContact O-CB 3.38Å; D322-D326 PolarHBondContact O-N 2.67Å
323K92.3Very high89.6Confident109 Ų10955 Ų5547%0.47429%0.287SS..Hα-helixtrans-67-40174.5-68.3-166176.6-174.10112.9P320 W321 L325 D326 T327P320-K323 HydrophobicContact CB-CG 4.37Å; P320-K323 HydrophobicContact CG-CD 4.41Å; P320-K323 WeakPolarHBondContact O-CA 3.32Å; P320-K323 WeakPolarHBondContact O-CB 3.46Å; P320-K323 PolarHBondContact O-N 2.88Å; W321-K323 VanDerWaalsContact C-N 3.31Å; W321-K323 PolarHBondContact O-N 3.37Å; K323-L325 VanDerWaalsContact C-N 3.31Å; K323-L325 PolarHBondContact O-N 2.83Å; K323-D326 PolarHBondContact O-N 3.4Å; K323-T327 WeakPolarHBondContact O-CB 3.14Å; K323-T327 PolarHBondContact O-N 3.25Å; K323-T327 PolarHBondContact O-OG1 3.08Å
324V90.3Very high89.6Confident1 Ų156.7 Ų56.71%0.00630%0.298CS..Hα-helixtrans-58.6-47.5175.4176.20000109.8D319 P320 W321 A328 E351 V354 Y355D319-V324 HydrophobicContact CB-CG2 3.75Å; P320-V324 PolarHBondContact O-N 3.25Å; W321-V324 HydrophobicContact CE3-CB 4.21Å; W321-V324 HydrophobicContact CE3-CG1 4.31Å; W321-V324 HydrophobicContact CE3-CG2 4.28Å; W321-V324 HydrophobicContact CZ3-CG1 4.17Å; W321-V324 PolarHBondContact O-N 2.98Å; V324-A328 VanDerWaalsContact O-CB 3.23Å; V324-A328 WeakPolarHBondContact O-CB 3.45Å; V324-A328 PolarHBondContact O-N 3.24Å; V324-E351 HydrophobicContact CG1-CG 3.92Å; V324-E351 HydrophobicContact CG2-CG 4.48Å; V324-V354 HydrophobicContact CG1-CB 4.26Å; V324-V354 HydrophobicContact CG1-CG1 4.1Å; V324-Y355 HydrophobicContact CG1-CE2 3.92Å
325L89.8Confident89.8Confident55 Ų5560 Ų6029%0.28833%0.332SS..Hα-helixtrans-62.6-48.5178.5-71.7168.7000112.5W321 D322 K323 T327 A328 N329 V354W321-L325 WeakPolarHBondContact O-CG 3.41Å; W321-L325 PolarHBondContact O-N 3.44Å; D322-L325 PolarHBondContact O-N 3.42Å; K323-L325 VanDerWaalsContact C-N 3.31Å; K323-L325 PolarHBondContact O-N 2.83Å; L325-T327 PolarHBondContact O-N 2.79Å; L325-A328 PolarHBondContact O-N 2.82Å; L325-N329 WeakPolarHBondContact O-CB 3.32Å; L325-N329 PolarHBondContact O-N 3.28Å; L325-N329 PolarHBondContact O-ND2 2.98Å; L325-N329 VanDerWaalsContact O-ND2 3.13Å; L325-V354 HydrophobicContact CD2-CG1 3.87Å
326D93.7Very high90.3Very high106 Ų10660.5 Ų60.557%0.56734%0.336SS*.Hα-helixtrans-63.1-43.5-179.5-75.4-13000111.4D322 K323 N329 A330D322-D326 WeakPolarHBondContact O-CB 3.38Å; D322-D326 PolarHBondContact O-N 2.67Å; K323-D326 PolarHBondContact O-N 3.4Å; D326-N329 PolarHBondContact O-N 3.44Å; D326-A330 WeakPolarHBondContact O-CB 3.43Å; D326-A330 PolarHBondContact O-N 3.07Å
327T95.1Very high90.8Very high15 Ų1561.7 Ų61.79%0.09234%0.34CS..Hα-helixtrans-70.1-39.4-178.9-49.10000111.4S287 V290 I294 K323 L325 A330 L331 Y355S287-T327 WeakPolarHBondContact O-CG2 3.28Å; V290-T327 HydrophobicContact CB-CG2 3.66Å; V290-T327 HydrophobicContact CG1-CG2 3.56Å; I294-T327 HydrophobicContact CD1-CG2 4.38Å; K323-T327 WeakPolarHBondContact O-CB 3.14Å; K323-T327 PolarHBondContact O-N 3.25Å; K323-T327 PolarHBondContact O-OG1 3.08Å; L325-T327 PolarHBondContact O-N 2.79Å; T327-A330 PolarHBondContact O-N 3.09Å; T327-L331 WeakPolarHBondContact O-CB 3.27Å; T327-L331 PolarHBondContact O-N 2.87Å; T327-Y355 HydrophobicContact CG2-CE1 4.32Å
328A93.4Very high91.2Very high2 Ų260.7 Ų60.72%0.01733%0.333CS..Hα-helixtrans-62.5-42.6173.700000111.8V324 L325 A330 L331 Q332 V354 Y355V324-A328 VanDerWaalsContact O-CB 3.23Å; V324-A328 WeakPolarHBondContact O-CB 3.45Å; V324-A328 PolarHBondContact O-N 3.24Å; L325-A328 PolarHBondContact O-N 2.82Å; A328-A330 VanDerWaalsContact C-N 3.35Å; A328-A330 PolarHBondContact O-N 2.92Å; A328-L331 PolarHBondContact O-N 2.89Å; A328-Q332 VanDerWaalsContact O-CG 3.24Å; A328-Q332 WeakPolarHBondContact O-CG 3.2Å; A328-Q332 PolarHBondContact O-N 2.89Å; A328-V354 HydrophobicContact CB-CG1 3.68Å; A328-Y355 HydrophobicContact CB-CD1 3.65Å; A328-Y355 HydrophobicContact CB-CE1 3.88Å; A328-Y355 HydrophobicContact CB-CG 4.32Å
329N93.4Very high91.7Very high89 Ų8952 Ų5248%0.47630%0.299SS..Hα-helixtrans-63.5-41.4175.5-69.4-29.8000111.7L325 D326 L331 Q332 A333L325-N329 WeakPolarHBondContact O-CB 3.32Å; L325-N329 PolarHBondContact O-N 3.28Å; L325-N329 PolarHBondContact O-ND2 2.98Å; L325-N329 VanDerWaalsContact O-ND2 3.13Å; D326-N329 PolarHBondContact O-N 3.44Å; N329-L331 VanDerWaalsContact C-N 3.35Å; N329-Q332 PolarHBondContact O-N 3.39Å; N329-A333 WeakPolarHBondContact O-CB 3.02Å; N329-A333 PolarHBondContact O-N 2.64Å
330A96.1Very high92.1Very high47 Ų4750.9 Ų50.939%0.38829%0.293SS..Hα-helixtrans-63-40.9175.400000111.9I294 D326 T327 A328 A333 T334I294-A330 HydrophobicContact CD1-CB 3.87Å; D326-A330 WeakPolarHBondContact O-CB 3.43Å; D326-A330 PolarHBondContact O-N 3.07Å; T327-A330 PolarHBondContact O-N 3.09Å; A328-A330 VanDerWaalsContact C-N 3.35Å; A328-A330 PolarHBondContact O-N 2.92Å; A330-A333 PolarHBondContact O-N 3.27Å; A330-T334 PolarHBondContact O-N 3.25Å
331L96.2Very high92.4Very high0 Ų047.9 Ų47.90%027%0.273CS..Hα-helixtrans-61.6-46.3176.2-179.960.3000111.2V290 I294 F309 T327 A328 N329 A333 T334 I338 Y355V290-L331 HydrophobicContact CG1-CB 4.04Å; V290-L331 HydrophobicContact CG1-CD1 4.32Å; V290-L331 HydrophobicContact CG1-CD2 3.92Å; V290-L331 HydrophobicContact CG1-CG 4.3Å; I294-L331 HydrophobicContact CD1-CB 4.01Å; I294-L331 HydrophobicContact CG1-CB 4.35Å; I294-L331 HydrophobicContact CG1-CD1 3.98Å; F309-L331 HydrophobicContact CB-CD1 4.17Å; F309-L331 HydrophobicContact CD1-CD1 3.92Å; F309-L331 HydrophobicContact CD1-CD2 3.98Å; F309-L331 HydrophobicContact CD2-CD1 3.55Å; F309-L331 HydrophobicContact CE1-CD1 4.16Å; F309-L331 HydrophobicContact CE1-CD2 4.04Å; F309-L331 HydrophobicContact CE2-CD1 3.76Å; F309-L331 HydrophobicContact CG-CD1 3.61Å; F309-L331 HydrophobicContact CG-CD2 4.49Å; F309-L331 HydrophobicContact CZ-CD1 4.07Å; T327-L331 WeakPolarHBondContact O-CB 3.27Å; T327-L331 PolarHBondContact O-N 2.87Å; A328-L331 PolarHBondContact O-N 2.89Å; N329-L331 VanDerWaalsContact C-N 3.35Å; L331-A333 VanDerWaalsContact C-N 3.29Å; L331-A333 PolarHBondContact O-N 2.68Å; L331-T334 WeakPolarHBondContact O-CB 3.46Å; L331-T334 WeakPolarHBondContact O-CG2 3.36Å; L331-T334 PolarHBondContact O-N 3.33Å; L331-T334 VanDerWaalsContact O-N 3.14Å; L331-T334 PolarHBondContact O-OG1 3.35Å; L331-I338 HydrophobicContact CD1-CG1 4.43Å; L331-I338 HydrophobicContact CD2-CD1 4.03Å; L331-I338 HydrophobicContact CD2-CG1 4.16Å; L331-I338 HydrophobicContact CD2-CG2 4.06Å; L331-I338 HydrophobicContact CG-CD1 3.72Å; L331-I338 HydrophobicContact CG-CG1 4.05Å; L331-Y355 HydrophobicContact CD2-CD1 4.23Å
332Q91.8Very high92.5Very high51 Ų5141.7 Ų41.724%0.23825%0.25CC..Hα-helixtrans-62.6-37177.8-66.6-71.9-7.100112A328 N329 T334 G335 I338 Y355 K357A328-Q332 VanDerWaalsContact O-CG 3.24Å; A328-Q332 WeakPolarHBondContact O-CG 3.2Å; A328-Q332 PolarHBondContact O-N 2.89Å; N329-Q332 PolarHBondContact O-N 3.39Å; Q332-T334 PolarHBondContact O-N 2.81Å; Q332-T334 VanDerWaalsContact O-N 3.17Å; Q332-G335 PolarHBondContact O-N 2.9Å; Q332-G335 VanDerWaalsContact O-N 3.15Å; Q332-I338 HydrophobicContact CG-CD1 4.29Å; Q332-Y355 PolarHBondContact NE2-O 3.41Å; Q332-K357 PolarHBondContact NE2-O 2.77Å
333A92.7Very high92.4Very high87 Ų8737 Ų3772%0.71923%0.225SC*.Hα-helixtrans-65.1-15.7177.600000113.9N329 A330 L331 G335N329-A333 WeakPolarHBondContact O-CB 3.02Å; N329-A333 PolarHBondContact O-N 2.64Å; A330-A333 PolarHBondContact O-N 3.27Å; L331-A333 VanDerWaalsContact C-N 3.29Å; L331-A333 PolarHBondContact O-N 2.68Å; A333-G335 PolarHBondContact O-N 2.62Å
334T93.4Very high92Very high36 Ų3633.3 Ų33.322%0.22122%0.218CC..THydrogen-bonded Turntrans-68.6-21.2174.269.80000113.2I294 L297 A330 L331 Q332 A336I294-T334 HydrophobicContact CG1-CG2 4.18Å; I294-T334 HydrophobicContact CG2-CG2 3.95Å; L297-T334 HydrophobicContact CD1-CG2 4.15Å; A330-T334 PolarHBondContact O-N 3.25Å; L331-T334 WeakPolarHBondContact O-CB 3.46Å; L331-T334 WeakPolarHBondContact O-CG2 3.36Å; L331-T334 PolarHBondContact O-N 3.33Å; L331-T334 VanDerWaalsContact O-N 3.14Å; L331-T334 PolarHBondContact O-OG1 3.35Å; Q332-T334 PolarHBondContact O-N 2.81Å; Q332-T334 VanDerWaalsContact O-N 3.17Å; T334-A336 PolarHBondContact O-N 3.48Å; T334-A336 WeakPolarHBondContact OG1-CB 3.39Å; T334-A336 PolarHBondContact OG1-N 3.28Å
335G90.1Very high91.4Very high69 Ų6942.9 Ų42.971%0.71126%0.262SS*.THydrogen-bonded Turntrans69.19.8-173.100000114.3Q332 A333Q332-G335 PolarHBondContact O-N 2.9Å; Q332-G335 VanDerWaalsContact O-N 3.15Å; A333-G335 PolarHBondContact O-N 2.62Å
336A92.6Very high90.9Very high11 Ų1145 Ų459%0.09128%0.278CS..PPolyproline II helixtrans-68.4151.317300000111.2L297 K307 F309 T334 I338L297-A336 HydrophobicContact CD1-CB 3.71Å; K307-A336 HydrophobicContact CB-CB 3.93Å; K307-A336 WeakPolarHBondContact O-CA 3.44Å; F309-A336 HydrophobicContact CB-CB 4.33Å; T334-A336 PolarHBondContact O-N 3.48Å; T334-A336 WeakPolarHBondContact OG1-CB 3.39Å; T334-A336 PolarHBondContact OG1-N 3.28Å; A336-I338 PolarHBondContact O-N 3.33Å
337K91.1Very high90.4Very high95 Ų9541.2 Ų41.241%0.41326%0.258SS..EExtended strand (participates in β ladder)trans-75.5117.3168.2-59.5-171.2176.4-165.20108.4I306 K307 I308 F309 M378I306-K337 HydrophobicContact CG2-CD 4.43Å; K307-K337 PolarHBondContact O-N 3.13Å; I308-K337 CarbonylContact C-O 3.57Å; I308-K337 VanDerWaalsContact CA-O 3.31Å; I308-K337 WeakPolarHBondContact CA-O 3.12Å; F309-K337 PolarHBondContact N-O 3.37Å; K337-M378 HydrophobicContact CB-SD 3.64Å; K337-M378 HydrophobicContact CD-CB 3.89Å; K337-M378 HydrophobicContact CD-CG 4.2Å; K337-M378 HydrophobicContact CD-SD 4.13Å; K337-M378 HydrophobicContact CG-SD 4.49Å; K337-M378 PolarHBondContact NZ-O 2.87Å
338I92Very high89.8Confident4 Ų443.2 Ų43.22%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-102130.5-172.1-60.8153.8000109.8F309 L331 Q332 A336 I340 A360 I361F309-I338 HydrophobicContact CB-CG1 4.28Å; F309-I338 CarbonylContact O-C 3.59Å; F309-I338 WeakPolarHBondContact O-CA 3.34Å; L331-I338 HydrophobicContact CD1-CG1 4.43Å; L331-I338 HydrophobicContact CD2-CD1 4.03Å; L331-I338 HydrophobicContact CD2-CG1 4.16Å; L331-I338 HydrophobicContact CD2-CG2 4.06Å; L331-I338 HydrophobicContact CG-CD1 3.72Å; L331-I338 HydrophobicContact CG-CG1 4.05Å; Q332-I338 HydrophobicContact CG-CD1 4.29Å; A336-I338 PolarHBondContact O-N 3.33Å; I338-I340 HydrophobicContact CG2-CD1 3.76Å; I338-I340 HydrophobicContact CG2-CG1 4.42Å; I338-A360 HydrophobicContact CB-CB 3.68Å; I338-A360 HydrophobicContact CG2-CB 3.82Å; I338-A360 VanDerWaalsContact O-CA 3.31Å; I338-A360 WeakPolarHBondContact O-CA 3.39Å; I338-I361 PolarHBondContact O-N 2.73Å
339I91.3Very high89.3Confident0 Ų045.6 Ų45.60%028%0.277CS..EExtended strand (participates in β ladder)trans-120.4126.2169.6-60.3174.9000108.2F309 I310 L311 I361 V363 L371 Q374 V375 M378F309-I339 PolarHBondContact O-N 3.28Å; I310-I339 CarbonylContact C-O 3.55Å; I310-I339 VanDerWaalsContact CA-O 3.29Å; I310-I339 WeakPolarHBondContact CA-O 3.41Å; I310-I339 HydrophobicContact CG1-CB 4.33Å; I310-I339 HydrophobicContact CG2-CB 4.47Å; L311-I339 PolarHBondContact N-O 2.9Å; I339-I361 CarbonylContact C-O 3.57Å; I339-I361 WeakPolarHBondContact CA-O 3.28Å; I339-V363 HydrophobicContact CG2-CG2 4.03Å; I339-L371 HydrophobicContact CD1-CD1 4.49Å; I339-L371 HydrophobicContact CG2-CD1 4.08Å; I339-Q374 HydrophobicContact CD1-CB 4.28Å; I339-V375 HydrophobicContact CD1-CG2 3.5Å; I339-V375 VanDerWaalsContact CD1-CG2 3.5Å; I339-M378 HydrophobicContact CD1-CE 3.82Å; I339-M378 HydrophobicContact CD1-SD 3.7Å; I339-M378 HydrophobicContact CG1-CE 3.37Å; I339-M378 HydrophobicContact CG1-SD 3.74Å
340I93.3Very high88.7Confident0 Ų044.8 Ų44.80%028%0.279CS..EExtended strand (participates in β ladder)trans-101.1117.7167.2-49.1-52.7000107L311 I338 L352 A356 I361 L362 V363L311-I340 HydrophobicContact CB-CD1 3.75Å; L311-I340 HydrophobicContact CD2-CD1 4.07Å; L311-I340 HydrophobicContact CG-CD1 4.49Å; L311-I340 CarbonylContact O-C 3.58Å; L311-I340 WeakPolarHBondContact O-CA 3.35Å; I338-I340 HydrophobicContact CG2-CD1 3.76Å; I338-I340 HydrophobicContact CG2-CG1 4.42Å; I340-L352 HydrophobicContact CG2-CB 4.06Å; I340-L352 HydrophobicContact CG2-CD1 4.35Å; I340-L352 HydrophobicContact CG2-CD2 3.57Å; I340-L352 HydrophobicContact CG2-CG 4.2Å; I340-A356 HydrophobicContact CB-CB 4.33Å; I340-A356 HydrophobicContact CG1-CB 3.68Å; I340-I361 PolarHBondContact N-O 3.29Å; I340-L362 HydrophobicContact CB-CB 4.38Å; I340-L362 HydrophobicContact CB-CD1 3.76Å; I340-L362 HydrophobicContact CG2-CD1 3.62Å; I340-L362 CarbonylContact O-C 3.44Å; I340-L362 WeakPolarHBondContact O-CA 3.41Å; I340-V363 PolarHBondContact O-N 2.83Å
341F93Very high88.1Confident0 Ų042.9 Ų42.90%026%0.262CS..EExtended strand (participates in β ladder)trans-11096.9-176.6-171.5-96.4000109.2Y226 S229 L311 M312 T313 V363 A365 L371Y226-F341 AromaticContact CD1-CD1 3.84Å; Y226-F341 HydrophobicContact CD1-CD1 3.84Å; Y226-F341 HydrophobicContact CD1-CE1 4.04Å; Y226-F341 AromaticContact CE1-CD1 3.92Å; Y226-F341 HydrophobicContact CE1-CD1 3.92Å; Y226-F341 HydrophobicContact CE1-CE1 4.33Å; S229-F341 WeakPolarHBondContact OG-CZ 3.43Å; L311-F341 PolarHBondContact O-N 2.82Å; M312-F341 WeakPolarHBondContact CA-O 3Å; M312-F341 HydrophobicContact CE-CD1 4.12Å; M312-F341 HydrophobicContact CE-CG 4.47Å; M312-F341 HydrophobicContact CG-CB 4.09Å; M312-F341 HydrophobicContact CG-CD1 4.19Å; T313-F341 PolarHBondContact N-O 3.47Å; F341-V363 HydrophobicContact CD2-CB 3.82Å; F341-V363 HydrophobicContact CD2-CG1 3.61Å; F341-V363 HydrophobicContact CE2-CB 4.4Å; F341-V363 HydrophobicContact CE2-CG1 3.67Å; F341-A365 HydrophobicContact CD1-CB 4Å; F341-A365 HydrophobicContact CE1-CB 3.3Å; F341-A365 HydrophobicContact CE2-CB 3.91Å; F341-A365 HydrophobicContact CZ-CB 3.25Å; F341-L371 HydrophobicContact CB-CD1 4.49Å; F341-L371 HydrophobicContact CD2-CB 3.95Å; F341-L371 HydrophobicContact CD2-CD1 3.87Å; F341-L371 HydrophobicContact CD2-CG 4.37Å; F341-L371 HydrophobicContact CE2-CB 3.64Å; F341-L371 HydrophobicContact CE2-CD1 4.45Å; F341-L371 HydrophobicContact CG-CD1 4.33Å; F341-L371 HydrophobicContact CZ-CB 4.23Å
342A91.5Very high87.6Confident0 Ų042.9 Ų42.90%026%0.262CS..EExtended strand (participates in β ladder)trans-95.4122.7-171.300000111.8T313 V347 Y349 L352 L362 V363 A365T313-A342 WeakPolarHBondContact O-CA 3.38Å; A342-V347 HydrophobicContact CB-CG1 3.91Å; A342-Y349 HydrophobicContact CB-CE1 4.2Å; A342-L352 HydrophobicContact CB-CD1 3.59Å; A342-L362 HydrophobicContact CB-CD1 3.85Å; A342-V363 PolarHBondContact N-O 2.96Å; A342-A365 WeakPolarHBondContact O-CB 3.25Å; A342-A365 PolarHBondContact O-N 3.11Å
343A87.9Confident87.2Confident1 Ų144.6 Ų44.61%0.00827%0.27CS..  trans-132.6143.1175.100000111.1L225 Y226 D314 A365L225-A343 HydrophobicContact CD2-CB 4.05Å; Y226-A343 HydrophobicContact CD1-CB 4.09Å; Y226-A343 HydrophobicContact CE1-CB 3.28Å; Y226-A343 PolarHBondContact OH-N 3.21Å; Y226-A343 PolarHBondContact OH-O 3.35Å; D314-A343 WeakPolarHBondContact CB-O 3.46Å; A343-A365 HydrophobicContact CB-CB 3.64Å
344G83.2Confident86.9Confident31 Ų3141 Ų4132%0.3224%0.239SC..SBendtrans142.7160.3178.900000112.2S222S222-G344 VanDerWaalsContact OG-CA 3.25Å; S222-G344 WeakPolarHBondContact OG-CA 3.19Å; S222-G344 PolarHBondContact OG-N 3.47Å
345E77.1Confident86.6Confident201 Ų20139.3 Ų39.394%0.93923%0.229SC*.SBendtrans-74.8-29.8174-64.7-167.8164.500112
346T79.6Confident86.2Confident101 Ų10136.5 Ų36.562%0.6220%0.199SC*.SBendtrans-122.265.6-176.6560000109.9H316H316-T346 PolarHBondContact CD2-O 2.93Å; H316-T346 VanDerWaalsContact CD2-O 3.28Å; H316-T346 PolarHBondContact NE2-O 2.93Å
347V83.8Confident85.4Confident25 Ų2540.3 Ų40.315%0.15221%0.213CC..  trans-76.2131.4176.9177.50000110.5D314 A342 Y349 L352D314-V347 HydrophobicContact CB-CG2 4.42Å; D314-V347 CarbonylContact O-C 3.5Å; D314-V347 VanDerWaalsContact O-CA 3.27Å; D314-V347 WeakPolarHBondContact O-CA 3.46Å; D314-V347 WeakPolarHBondContact O-CG1 3.33Å; A342-V347 HydrophobicContact CB-CG1 3.91Å; V347-Y349 HydrophobicContact CB-CD2 4.4Å; V347-Y349 HydrophobicContact CB-CE1 4.35Å; V347-Y349 HydrophobicContact CB-CE2 3.87Å; V347-Y349 HydrophobicContact CG1-CD1 3.82Å; V347-Y349 HydrophobicContact CG1-CD2 4.12Å; V347-Y349 HydrophobicContact CG1-CE1 3.56Å; V347-Y349 HydrophobicContact CG1-CE2 3.86Å; V347-Y349 HydrophobicContact CG1-CG 4.13Å; V347-L352 HydrophobicContact CG1-CD1 3.49Å; V347-L352 VanDerWaalsContact CG1-CD1 3.49Å
348D82.2Confident84Confident58 Ų5838.4 Ų38.431%0.3121%0.212SC..  trans-91.9100168-172.2-7.9000110.5D314 S350 L352D314-D348 PolarHBondContact O-N 2.91Å; D348-S350 VanDerWaalsContact C-N 3.26Å; D348-S350 PolarHBondContact O-N 3.22Å; D348-S350 WeakPolarHBondContact OD1-CB 3.43Å; D348-S350 PolarHBondContact OD1-N 2.8Å; D348-S350 PolarHBondContact OD1-OG 3.27Å; D348-L352 WeakPolarHBondContact O-CG 3.5Å
349Y83.8Confident82.6Confident51 Ų5142.2 Ų42.220%0.224%0.237CC..Hα-helixtrans-73.6-16.2179.8-68-71.5000113.8A342 V347 E351 L352 E353 L362 Q364A342-Y349 HydrophobicContact CB-CE1 4.2Å; V347-Y349 HydrophobicContact CB-CD2 4.4Å; V347-Y349 HydrophobicContact CB-CE1 4.35Å; V347-Y349 HydrophobicContact CB-CE2 3.87Å; V347-Y349 HydrophobicContact CG1-CD1 3.82Å; V347-Y349 HydrophobicContact CG1-CD2 4.12Å; V347-Y349 HydrophobicContact CG1-CE1 3.56Å; V347-Y349 HydrophobicContact CG1-CE2 3.86Å; V347-Y349 HydrophobicContact CG1-CG 4.13Å; Y349-E351 VanDerWaalsContact C-N 3.35Å; Y349-E351 PolarHBondContact O-N 3.43Å; Y349-L352 HydrophobicContact CD1-CD1 4.19Å; Y349-L352 PolarHBondContact O-N 2.96Å; Y349-E353 VanDerWaalsContact O-CB 3.32Å; Y349-E353 WeakPolarHBondContact O-CB 3.17Å; Y349-E353 VanDerWaalsContact O-CG 3.23Å; Y349-E353 WeakPolarHBondContact O-CG 3.29Å; Y349-E353 PolarHBondContact O-N 2.86Å; Y349-L362 HydrophobicContact CD1-CD2 3.65Å; Y349-L362 HydrophobicContact CE1-CD1 4.42Å; Y349-L362 HydrophobicContact CE1-CD2 3.94Å; Y349-Q364 WeakPolarHBondContact OH-CG 3.22Å; Y349-Q364 PolarHBondContact OH-NE2 3.47Å
350S80.7Confident81.4Confident73 Ų7342.9 Ų42.951%0.5124%0.242SC..Hα-helixtrans-60.6-46.5-177.2-410000110.8W321 D348 V354W321-S350 WeakPolarHBondContact CH2-O 3.26Å; D348-S350 VanDerWaalsContact C-N 3.26Å; D348-S350 PolarHBondContact O-N 3.22Å; D348-S350 WeakPolarHBondContact OD1-CB 3.43Å; D348-S350 PolarHBondContact OD1-N 2.8Å; D348-S350 PolarHBondContact OD1-OG 3.27Å; S350-V354 WeakPolarHBondContact O-CG2 3.5Å
351E82.7Confident80.5Confident6 Ų644.5 Ų44.53%0.02825%0.251CS..Hα-helixtrans-69.2-45.1175-176.3-178.3157.400111.4T286 S317 W321 V324 Y349 E353 V354 Y355T286-E351 WeakPolarHBondContact CB-OE1 3.35Å; T286-E351 WeakPolarHBondContact CG2-OE1 3.35Å; T286-E351 PolarHBondContact OG1-OE1 2.97Å; S317-E351 WeakPolarHBondContact CB-OE1 3.48Å; S317-E351 WeakPolarHBondContact CB-OE2 3.27Å; S317-E351 PolarHBondContact N-OE2 3.35Å; S317-E351 VanDerWaalsContact N-OE2 3.15Å; S317-E351 PolarHBondContact OG-OE1 3.41Å; S317-E351 VanDerWaalsContact OG-OE1 3.11Å; S317-E351 PolarHBondContact OG-OE2 2.96Å; W321-E351 HydrophobicContact CZ3-CB 4.27Å; V324-E351 HydrophobicContact CG1-CG 3.92Å; V324-E351 HydrophobicContact CG2-CG 4.48Å; Y349-E351 VanDerWaalsContact C-N 3.35Å; Y349-E351 PolarHBondContact O-N 3.43Å; E351-E353 VanDerWaalsContact C-N 3.33Å; E351-E353 PolarHBondContact O-N 3.36Å; E351-V354 WeakPolarHBondContact O-CB 3.42Å; E351-V354 PolarHBondContact O-N 3.01Å; E351-Y355 HydrophobicContact CG-CD2 4.26Å; E351-Y355 HydrophobicContact CG-CE2 3.97Å; E351-Y355 PolarHBondContact O-N 3.26Å
352L86.5Confident79.7Confident0 Ų044.7 Ų44.70%025%0.252CS..Hα-helixtrans-64.5-37.8-174.1-64-178.7000112.7T313 I340 A342 V347 D348 Y349 V354 Y355 A356 L362T313-L352 HydrophobicContact CG2-CD2 3.35Å; I340-L352 HydrophobicContact CG2-CB 4.06Å; I340-L352 HydrophobicContact CG2-CD1 4.35Å; I340-L352 HydrophobicContact CG2-CD2 3.57Å; I340-L352 HydrophobicContact CG2-CG 4.2Å; A342-L352 HydrophobicContact CB-CD1 3.59Å; V347-L352 HydrophobicContact CG1-CD1 3.49Å; V347-L352 VanDerWaalsContact CG1-CD1 3.49Å; D348-L352 WeakPolarHBondContact O-CG 3.5Å; Y349-L352 HydrophobicContact CD1-CD1 4.19Å; Y349-L352 PolarHBondContact O-N 2.96Å; L352-V354 PolarHBondContact O-N 2.99Å; L352-Y355 PolarHBondContact O-N 3.05Å; L352-A356 WeakPolarHBondContact O-CB 3.23Å; L352-A356 PolarHBondContact O-N 3.36Å; L352-L362 HydrophobicContact CB-CD1 4.16Å; L352-L362 HydrophobicContact CD1-CD1 4.16Å
353E83.1Confident79.1Confident87 Ų8744.9 Ų44.941%0.40725%0.253SS..Hα-helixtrans-62.8-27.2175.3-76.3177.5-177.700112.8Y349 E351 A356 K357Y349-E353 VanDerWaalsContact O-CB 3.32Å; Y349-E353 WeakPolarHBondContact O-CB 3.17Å; Y349-E353 VanDerWaalsContact O-CG 3.23Å; Y349-E353 WeakPolarHBondContact O-CG 3.29Å; Y349-E353 PolarHBondContact O-N 2.86Å; E351-E353 VanDerWaalsContact C-N 3.33Å; E351-E353 PolarHBondContact O-N 3.36Å; E353-A356 CarbonylContact O-C 3.54Å; E353-K357 PolarHBondContact O-N 2.92Å; E353-K357 VanDerWaalsContact O-N 3.14Å
354V85.4Confident78.7Confident13 Ų1348.4 Ų48.48%0.07927%0.269CS..Hα-helixtrans-70.3-43.5176.3178.40000110.7W321 V324 L325 A328 S350 E351 L352 K357W321-V354 HydrophobicContact CH2-CG2 3.57Å; W321-V354 HydrophobicContact CZ2-CG2 3.53Å; V324-V354 HydrophobicContact CG1-CB 4.26Å; V324-V354 HydrophobicContact CG1-CG1 4.1Å; L325-V354 HydrophobicContact CD2-CG1 3.87Å; A328-V354 HydrophobicContact CB-CG1 3.68Å; S350-V354 WeakPolarHBondContact O-CG2 3.5Å; E351-V354 WeakPolarHBondContact O-CB 3.42Å; E351-V354 PolarHBondContact O-N 3.01Å; L352-V354 PolarHBondContact O-N 2.99Å; V354-K357 WeakPolarHBondContact O-CG 3.35Å
355Y88.7Confident78.4Confident0 Ų047.6 Ų47.60%026%0.26CS..Hα-helixtrans-71.8-36.1172.6-69.2-69.8000111.9T286 V290 L311 V324 T327 A328 L331 Q332 E351 L352 K357T286-Y355 HydrophobicContact CG2-CE2 3.87Å; V290-Y355 HydrophobicContact CB-CE1 4.19Å; V290-Y355 HydrophobicContact CG1-CD1 4.47Å; V290-Y355 HydrophobicContact CG1-CE1 4.01Å; V290-Y355 HydrophobicContact CG2-CD1 4.35Å; V290-Y355 HydrophobicContact CG2-CE1 3.85Å; L311-Y355 HydrophobicContact CD2-CD2 4.23Å; L311-Y355 HydrophobicContact CD2-CG 4.38Å; V324-Y355 HydrophobicContact CG1-CE2 3.92Å; T327-Y355 HydrophobicContact CG2-CE1 4.32Å; A328-Y355 HydrophobicContact CB-CD1 3.65Å; A328-Y355 HydrophobicContact CB-CE1 3.88Å; A328-Y355 HydrophobicContact CB-CG 4.32Å; L331-Y355 HydrophobicContact CD2-CD1 4.23Å; Q332-Y355 PolarHBondContact NE2-O 3.41Å; E351-Y355 HydrophobicContact CG-CD2 4.26Å; E351-Y355 HydrophobicContact CG-CE2 3.97Å; E351-Y355 PolarHBondContact O-N 3.26Å; L352-Y355 PolarHBondContact O-N 3.05Å; Y355-K357 PolarHBondContact O-N 3.01Å
356A80.9Confident78.3Confident9 Ų944.1 Ų44.17%0.07424%0.241CC..THydrogen-bonded Turntrans-81.716.6179.600000113.8I340 L352 E353 S358 A360 L362I340-A356 HydrophobicContact CB-CB 4.33Å; I340-A356 HydrophobicContact CG1-CB 3.68Å; L352-A356 WeakPolarHBondContact O-CB 3.23Å; L352-A356 PolarHBondContact O-N 3.36Å; E353-A356 CarbonylContact O-C 3.54Å; A356-S358 PolarHBondContact O-N 2.69Å; A356-A360 HydrophobicContact CB-CB 4.49Å; A356-L362 HydrophobicContact CB-CB 3.81Å
357K75.1Confident78.2Confident92 Ų9242.1 Ų42.140%0.423%0.227SC..  trans-53.6131.3172.6-79.5178.2-170.5172.80109.7Q332 E353 V354 Y355 A360Q332-K357 PolarHBondContact NE2-O 2.77Å; E353-K357 PolarHBondContact O-N 2.92Å; E353-K357 VanDerWaalsContact O-N 3.14Å; V354-K357 WeakPolarHBondContact O-CG 3.35Å; Y355-K357 PolarHBondContact O-N 3.01Å; K357-A360 VanDerWaalsContact O-CB 3.3Å; K357-A360 WeakPolarHBondContact O-CB 3.1Å; K357-A360 PolarHBondContact O-N 2.83Å
358S61.8Low77.9Confident54 Ų5441.2 Ų41.238%0.37822%0.221SC..THydrogen-bonded Turntrans-48.2132.1178.8-1720000110.5N178 A356N178-S358 WeakPolarHBondContact CB-OG 3.36Å; A356-S358 PolarHBondContact O-N 2.69Å
359P63.7Low77.6Confident85 Ų8541.8 Ų41.855%0.55223%0.225SC*.THydrogen-bonded Turncis-92.816.219.537.7-37.4000116.5
360A66.6Low77.3Confident14 Ų1440.5 Ų40.512%0.11622%0.221CC..  trans-66.4153.9176.800000112.9I338 A356 K357I338-A360 HydrophobicContact CB-CB 3.68Å; I338-A360 HydrophobicContact CG2-CB 3.82Å; I338-A360 VanDerWaalsContact O-CA 3.31Å; I338-A360 WeakPolarHBondContact O-CA 3.39Å; A356-A360 HydrophobicContact CB-CB 4.49Å; K357-A360 VanDerWaalsContact O-CB 3.3Å; K357-A360 WeakPolarHBondContact O-CB 3.1Å; K357-A360 PolarHBondContact O-N 2.83Å
361I74.1Confident77.5Confident33 Ų3337 Ų3717%0.16920%0.196CC..EExtended strand (participates in β ladder)trans-109.6129.2177.9-55.5-170.9000109.2I338 I339 I340 V363 M378I338-I361 PolarHBondContact O-N 2.73Å; I339-I361 CarbonylContact C-O 3.57Å; I339-I361 WeakPolarHBondContact CA-O 3.28Å; I340-I361 PolarHBondContact N-O 3.29Å; I361-V363 HydrophobicContact CG2-CG2 3.92Å; I361-M378 HydrophobicContact CB-CE 4.11Å; I361-M378 HydrophobicContact CD1-CE 3.31Å; I361-M378 HydrophobicContact CG1-CE 3.54Å
362L75.8Confident77.6Confident4 Ų437.6 Ų37.62%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-102.7124.4168.8166.375.1000109.3N170 I340 A342 Y349 L352 A356N170-L362 WeakPolarHBondContact ND2-CB 3.42Å; N170-L362 WeakPolarHBondContact OD1-CB 3.44Å; N170-L362 PolarHBondContact OD1-N 2.67Å; N170-L362 PolarHBondContact OD1-O 3.34Å; I340-L362 HydrophobicContact CB-CB 4.38Å; I340-L362 HydrophobicContact CB-CD1 3.76Å; I340-L362 HydrophobicContact CG2-CD1 3.62Å; I340-L362 CarbonylContact O-C 3.44Å; I340-L362 WeakPolarHBondContact O-CA 3.41Å; A342-L362 HydrophobicContact CB-CD1 3.85Å; Y349-L362 HydrophobicContact CD1-CD2 3.65Å; Y349-L362 HydrophobicContact CE1-CD1 4.42Å; Y349-L362 HydrophobicContact CE1-CD2 3.94Å; L352-L362 HydrophobicContact CB-CD1 4.16Å; L352-L362 HydrophobicContact CD1-CD1 4.16Å; A356-L362 HydrophobicContact CB-CB 3.81Å
363V78.7Confident77.2Confident5 Ų543.3 Ų43.33%0.0323%0.228CC..EExtended strand (participates in β ladder)trans-112.6120.1-176.4177.70000108I339 I340 F341 A342 I361 A365 I370 Q374I339-V363 HydrophobicContact CG2-CG2 4.03Å; I340-V363 PolarHBondContact O-N 2.83Å; F341-V363 HydrophobicContact CD2-CB 3.82Å; F341-V363 HydrophobicContact CD2-CG1 3.61Å; F341-V363 HydrophobicContact CE2-CB 4.4Å; F341-V363 HydrophobicContact CE2-CG1 3.67Å; A342-V363 PolarHBondContact N-O 2.96Å; I361-V363 HydrophobicContact CG2-CG2 3.92Å; V363-A365 PolarHBondContact O-N 3.18Å; V363-I370 HydrophobicContact CG1-CB 4.25Å; V363-I370 HydrophobicContact CG1-CG2 3.41Å; V363-I370 VanDerWaalsContact CG1-CG2 3.41Å; V363-Q374 HydrophobicContact CG2-CG 3.97Å
364Q80.1Confident77.1Confident75 Ų7541.1 Ų41.135%0.3522%0.218SC..EExtended strand (participates in β ladder)trans-81.9112.7167.6-167.61802300109.1Y349 K366Y349-Q364 WeakPolarHBondContact OH-CG 3.22Å; Y349-Q364 PolarHBondContact OH-NE2 3.47Å; Q364-K366 PolarHBondContact O-N 2.92Å
365A76.6Confident77Confident14 Ų1440.5 Ų40.512%0.11621%0.214CC..  trans-71.796.7-177.400000110.5L225 F341 A342 A343 V363L225-A365 HydrophobicContact CD2-CB 3.73Å; L225-A365 HydrophobicContact CG-CB 4.41Å; F341-A365 HydrophobicContact CD1-CB 4Å; F341-A365 HydrophobicContact CE1-CB 3.3Å; F341-A365 HydrophobicContact CE2-CB 3.91Å; F341-A365 HydrophobicContact CZ-CB 3.25Å; A342-A365 WeakPolarHBondContact O-CB 3.25Å; A342-A365 PolarHBondContact O-N 3.11Å; A343-A365 HydrophobicContact CB-CB 3.64Å; V363-A365 PolarHBondContact O-N 3.18Å
366K75.7Confident76.6Confident128 Ų12842.2 Ų42.256%0.55722%0.223SC*.SBendtrans-94.1-24169.3-63.5-174.2-178.7-178.50112.1Q364Q364-K366 PolarHBondContact O-N 2.92Å
367D77.5Confident76.4Confident58 Ų5844.7 Ų44.731%0.3124%0.243SC..SBendtrans-150.5176.4176.263.859.9000110D369 I370D367-D369 WeakPolarHBondContact OD1-CA 3.4Å; D367-D369 WeakPolarHBondContact OD1-CB 3.06Å; D367-D369 PolarHBondContact OD1-N 2.94Å; D367-I370 WeakPolarHBondContact OD1-CG1 3.36Å; D367-I370 PolarHBondContact OD1-N 3.3Å; D367-I370 VanDerWaalsContact OD1-N 3.09Å
368S76.7Confident76.4Confident6 Ų641.3 Ų41.34%0.04223%0.229CC..SBendtrans-91.1-0.9-177.148.60000114.8Q228 S229 K232Q228-S368 PolarHBondContact OE1-OG 3.33Å; Q228-S368 VanDerWaalsContact OE1-OG 3.08Å; S229-S368 WeakPolarHBondContact OG-CA 3.44Å; S229-S368 WeakPolarHBondContact OG-CB 2.92Å; K232-S368 VanDerWaalsContact CE-OG 3.32Å; K232-S368 WeakPolarHBondContact CE-OG 3.25Å; K232-S368 PolarHBondContact NZ-OG 3.27Å
369D76.1Confident77.1Confident71 Ų7138.8 Ų38.838%0.3821%0.212SC..SBendtrans-90.5-36.5-175.7-64.6-49.8000111.3K232 D367 L371 S372 E373K232-D369 WeakPolarHBondContact CD-OD1 3.46Å; K232-D369 VanDerWaalsContact NZ-CG 3.29Å; K232-D369 IonicContact NZ-OD1 3.25Å; K232-D369 PolarHBondContact NZ-OD1 3.34Å; K232-D369 IonicContact NZ-OD2 3.98Å; K232-D369 PolarHBondContact NZ-OD2 3.09Å; D367-D369 WeakPolarHBondContact OD1-CA 3.4Å; D367-D369 WeakPolarHBondContact OD1-CB 3.06Å; D367-D369 PolarHBondContact OD1-N 2.94Å; D369-L371 VanDerWaalsContact C-N 3.26Å; D369-L371 PolarHBondContact O-N 2.93Å; D369-L371 VanDerWaalsContact O-N 3.11Å; D369-S372 WeakPolarHBondContact O-CB 3.35Å; D369-S372 PolarHBondContact O-N 2.67Å; D369-S372 PolarHBondContact O-OG 2.88Å; D369-E373 PolarHBondContact O-N 3.31Å
370I77Confident77.2Confident23 Ų2337.3 Ų37.312%0.11820%0.203CC..Hα-helixtrans-53.1-40.4-176-62.5162000112.4V363 D367 S372 E373 Q374V363-I370 HydrophobicContact CG1-CB 4.25Å; V363-I370 HydrophobicContact CG1-CG2 3.41Å; V363-I370 VanDerWaalsContact CG1-CG2 3.41Å; D367-I370 WeakPolarHBondContact OD1-CG1 3.36Å; D367-I370 PolarHBondContact OD1-N 3.3Å; D367-I370 VanDerWaalsContact OD1-N 3.09Å; I370-S372 VanDerWaalsContact C-N 3.32Å; I370-S372 PolarHBondContact O-N 3.39Å; I370-E373 PolarHBondContact O-N 2.9Å; I370-Q374 HydrophobicContact CG2-CG 4.12Å; I370-Q374 VanDerWaalsContact O-CG 3.27Å; I370-Q374 WeakPolarHBondContact O-CG 3.28Å; I370-Q374 PolarHBondContact O-N 2.98Å
371L85.6Confident76.6Confident0 Ų040.2 Ų40.20%022%0.222CC..Hα-helixtrans-60.5-43.5178.7-17864.8000112M233 I310 M312 I339 F341 D369 E373 Q374 V375M233-L371 HydrophobicContact CB-CD2 3.98Å; M233-L371 HydrophobicContact CB-CG 4.15Å; M233-L371 HydrophobicContact CG-CD2 4.32Å; M233-L371 HydrophobicContact CG-CG 4.23Å; M233-L371 HydrophobicContact SD-CD2 4.02Å; M233-L371 HydrophobicContact SD-CG 4.23Å; I310-L371 HydrophobicContact CD1-CD1 4.35Å; I310-L371 HydrophobicContact CG2-CD1 4.02Å; M312-L371 HydrophobicContact CE-CD2 3.17Å; I339-L371 HydrophobicContact CD1-CD1 4.49Å; I339-L371 HydrophobicContact CG2-CD1 4.08Å; F341-L371 HydrophobicContact CB-CD1 4.49Å; F341-L371 HydrophobicContact CD2-CB 3.95Å; F341-L371 HydrophobicContact CD2-CD1 3.87Å; F341-L371 HydrophobicContact CD2-CG 4.37Å; F341-L371 HydrophobicContact CE2-CB 3.64Å; F341-L371 HydrophobicContact CE2-CD1 4.45Å; F341-L371 HydrophobicContact CG-CD1 4.33Å; F341-L371 HydrophobicContact CZ-CB 4.23Å; D369-L371 VanDerWaalsContact C-N 3.26Å; D369-L371 PolarHBondContact O-N 2.93Å; D369-L371 VanDerWaalsContact O-N 3.11Å; L371-E373 VanDerWaalsContact C-N 3.32Å; L371-E373 PolarHBondContact O-N 3.38Å; L371-Q374 PolarHBondContact O-N 3.41Å; L371-V375 HydrophobicContact CD1-CG2 4.05Å; L371-V375 HydrophobicContact CG-CG2 4.3Å; L371-V375 WeakPolarHBondContact O-CB 3.36Å; L371-V375 VanDerWaalsContact O-CG2 3.28Å; L371-V375 WeakPolarHBondContact O-CG2 3.32Å; L371-V375 PolarHBondContact O-N 3.23Å
372S83.2Confident75.1Confident18 Ų1842.8 Ų42.813%0.12624%0.242CC..Hα-helixtrans-65.5-39.2-17969.70000111.1D369 I370 L376D369-S372 WeakPolarHBondContact O-CB 3.35Å; D369-S372 PolarHBondContact O-N 2.67Å; D369-S372 PolarHBondContact O-OG 2.88Å; I370-S372 VanDerWaalsContact C-N 3.32Å; I370-S372 PolarHBondContact O-N 3.39Å; S372-L376 VanDerWaalsContact O-CB 3.25Å; S372-L376 WeakPolarHBondContact O-CB 3.28Å; S372-L376 WeakPolarHBondContact O-CG 3.23Å; S372-L376 PolarHBondContact O-N 3.36Å
373E79.8Confident73.1Confident120 Ų12052.6 Ų52.656%0.56130%0.302SS*.Hα-helixtrans-62.4-48.4175.8-63.4178.1167.500111.4D369 I370 L371 L376 A377D369-E373 PolarHBondContact O-N 3.31Å; I370-E373 PolarHBondContact O-N 2.9Å; L371-E373 VanDerWaalsContact C-N 3.32Å; L371-E373 PolarHBondContact O-N 3.38Å; E373-L376 PolarHBondContact O-N 3.03Å; E373-A377 WeakPolarHBondContact O-CB 3.4Å; E373-A377 PolarHBondContact O-N 3.23Å
374Q79.4Confident72.8Confident42 Ų4255 Ų5520%0.19632%0.315CS..Hα-helixtrans-63.3-45.3-179.8-67.2-64.2-28.800111.9I339 V363 I370 L371 A377 M378I339-Q374 HydrophobicContact CD1-CB 4.28Å; V363-Q374 HydrophobicContact CG2-CG 3.97Å; I370-Q374 HydrophobicContact CG2-CG 4.12Å; I370-Q374 VanDerWaalsContact O-CG 3.27Å; I370-Q374 WeakPolarHBondContact O-CG 3.28Å; I370-Q374 PolarHBondContact O-N 2.98Å; L371-Q374 PolarHBondContact O-N 3.41Å; Q374-A377 PolarHBondContact O-N 2.78Å; Q374-M378 WeakPolarHBondContact O-CG 3.39Å; Q374-M378 PolarHBondContact O-N 2.73Å
375V84.2Confident72.5Confident0 Ų053.9 Ų53.90%031%0.313CS..Hα-helixtrans-65-44.3178.9169.40000110.9M233 L237 I308 I310 I339 L371 A377 M378 V379M233-V375 HydrophobicContact CG-CB 3.96Å; M233-V375 HydrophobicContact CG-CG1 3.96Å; M233-V375 HydrophobicContact CG-CG2 3.88Å; M233-V375 HydrophobicContact SD-CB 4.43Å; M233-V375 HydrophobicContact SD-CG1 4.27Å; M233-V375 HydrophobicContact SD-CG2 3.81Å; L237-V375 HydrophobicContact CD1-CG1 3.66Å; L237-V375 HydrophobicContact CD2-CG1 3.89Å; L237-V375 HydrophobicContact CG-CG1 3.89Å; I308-V375 HydrophobicContact CD1-CG1 4.13Å; I310-V375 HydrophobicContact CD1-CG2 3.72Å; I339-V375 HydrophobicContact CD1-CG2 3.5Å; I339-V375 VanDerWaalsContact CD1-CG2 3.5Å; L371-V375 HydrophobicContact CD1-CG2 4.05Å; L371-V375 HydrophobicContact CG-CG2 4.3Å; L371-V375 WeakPolarHBondContact O-CB 3.36Å; L371-V375 VanDerWaalsContact O-CG2 3.28Å; L371-V375 WeakPolarHBondContact O-CG2 3.32Å; L371-V375 PolarHBondContact O-N 3.23Å; V375-A377 VanDerWaalsContact C-N 3.34Å; V375-A377 PolarHBondContact O-N 2.87Å; V375-M378 WeakPolarHBondContact O-CB 3.15Å; V375-M378 PolarHBondContact O-N 2.7Å; V375-M378 VanDerWaalsContact O-N 3.1Å; V375-V379 WeakPolarHBondContact O-CG2 3.32Å; V375-V379 PolarHBondContact O-N 3.07Å
376L80.9Confident72.2Confident35 Ų3556.2 Ų56.218%0.18332%0.324CS..Hα-helixtrans-62.8-39.5177.5-73173.9000112.3A236 L237 Q240 Y241 S372 E373 M378 V379 S380A236-L376 HydrophobicContact CB-CD1 4.19Å; L237-L376 HydrophobicContact CD2-CD2 4.3Å; Q240-L376 VanDerWaalsContact NE2-CD2 3.31Å; Y241-L376 HydrophobicContact CE2-CD2 4.25Å; S372-L376 VanDerWaalsContact O-CB 3.25Å; S372-L376 WeakPolarHBondContact O-CB 3.28Å; S372-L376 WeakPolarHBondContact O-CG 3.23Å; S372-L376 PolarHBondContact O-N 3.36Å; E373-L376 PolarHBondContact O-N 3.03Å; L376-M378 VanDerWaalsContact C-N 3.28Å; L376-M378 PolarHBondContact O-N 3.35Å; L376-V379 HydrophobicContact CD2-CG2 4.36Å; L376-V379 WeakPolarHBondContact O-CG2 3.38Å; L376-V379 PolarHBondContact O-N 3.39Å; L376-S380 WeakPolarHBondContact O-CB 3.36Å; L376-S380 PolarHBondContact O-N 2.7Å; L376-S380 PolarHBondContact O-OG 3.31Å
377A76Confident72Confident61 Ų6151.9 Ų51.950%0.50431%0.311SS..Hα-helixtrans-65.2-32173.400000112.4E373 Q374 V375 S380E373-A377 WeakPolarHBondContact O-CB 3.4Å; E373-A377 PolarHBondContact O-N 3.23Å; Q374-A377 PolarHBondContact O-N 2.78Å; V375-A377 VanDerWaalsContact C-N 3.34Å; V375-A377 PolarHBondContact O-N 2.87Å; A377-S380 WeakPolarHBondContact CA-OG 3.47Å; A377-S380 PolarHBondContact O-OG 2.79Å
378M76.2Confident71.7Confident22 Ų2251.6 Ų51.611%0.10831%0.311CS..Hα-helixtrans-73.3-32.3175.2-75.8-167.3-178.900113.3K337 I339 I361 Q374 V375 L376K337-M378 HydrophobicContact CB-SD 3.64Å; K337-M378 HydrophobicContact CD-CB 3.89Å; K337-M378 HydrophobicContact CD-CG 4.2Å; K337-M378 HydrophobicContact CD-SD 4.13Å; K337-M378 HydrophobicContact CG-SD 4.49Å; K337-M378 PolarHBondContact NZ-O 2.87Å; I339-M378 HydrophobicContact CD1-CE 3.82Å; I339-M378 HydrophobicContact CD1-SD 3.7Å; I339-M378 HydrophobicContact CG1-CE 3.37Å; I339-M378 HydrophobicContact CG1-SD 3.74Å; I361-M378 HydrophobicContact CB-CE 4.11Å; I361-M378 HydrophobicContact CD1-CE 3.31Å; I361-M378 HydrophobicContact CG1-CE 3.54Å; Q374-M378 WeakPolarHBondContact O-CG 3.39Å; Q374-M378 PolarHBondContact O-N 2.73Å; V375-M378 WeakPolarHBondContact O-CB 3.15Å; V375-M378 PolarHBondContact O-N 2.7Å; V375-M378 VanDerWaalsContact O-N 3.1Å; L376-M378 VanDerWaalsContact C-N 3.28Å; L376-M378 PolarHBondContact O-N 3.35Å
379V76Confident71.4Confident1 Ų154.6 Ų54.61%0.00633%0.328CS..Hα-helixtrans-91.6-19.2178.7-66.80000113.5V207 L237 Y241 I306 I308 V375 L376 C381V207-V379 HydrophobicContact CG1-CG1 3.79Å; V207-V379 HydrophobicContact CG2-CB 4.43Å; V207-V379 HydrophobicContact CG2-CG1 3.95Å; L237-V379 HydrophobicContact CD2-CG1 4.29Å; L237-V379 HydrophobicContact CD2-CG2 3.76Å; Y241-V379 HydrophobicContact CD2-CG2 4.39Å; Y241-V379 HydrophobicContact CE1-CB 4.01Å; Y241-V379 HydrophobicContact CE1-CG2 4.12Å; Y241-V379 HydrophobicContact CE2-CB 4.28Å; Y241-V379 HydrophobicContact CE2-CG2 3.48Å; Y241-V379 VanDerWaalsContact CE2-CG2 3.48Å; Y241-V379 VanDerWaalsContact OH-C 3.22Å; Y241-V379 WeakPolarHBondContact OH-CG2 3.02Å; Y241-V379 PolarHBondContact OH-O 2.85Å; I306-V379 HydrophobicContact CG2-CG1 4.43Å; I308-V379 HydrophobicContact CD1-CG1 3.45Å; I308-V379 VanDerWaalsContact CD1-CG1 3.45Å; V375-V379 WeakPolarHBondContact O-CG2 3.32Å; V375-V379 PolarHBondContact O-N 3.07Å; L376-V379 HydrophobicContact CD2-CG2 4.36Å; L376-V379 WeakPolarHBondContact O-CG2 3.38Å; L376-V379 PolarHBondContact O-N 3.39Å; V379-C381 PolarHBondContact O-N 2.95Å
380S65.4Low71Confident54 Ų5453.4 Ų53.438%0.37833%0.325SS..SBendtrans-59109.2176.654.60000108.8Y241 L376 A377 C382Y241-S380 PolarHBondContact OH-N 3.4Å; L376-S380 WeakPolarHBondContact O-CB 3.36Å; L376-S380 PolarHBondContact O-N 2.7Å; L376-S380 PolarHBondContact O-OG 3.31Å; A377-S380 WeakPolarHBondContact CA-OG 3.47Å; A377-S380 PolarHBondContact O-OG 2.79Å; S380-C382 PolarHBondContact O-N 3.22Å
381C53.1Low70.6Confident75 Ų7555.8 Ų55.851%0.50734%0.341SS..  trans-52.3100.1170.7-86.80000108.2C203 V379 V383C203-C381 HydrophobicContact CB-CB 4.11Å; C203-C381 WeakPolarHBondContact CB-SG 3.42Å; C203-C381 WeakPolarHBondContact SG-CB 3.38Å; C203-C381 CovalentContact SG-SG 2.06Å; C203-C381 PolarHBondContact SG-SG 3.28Å; V379-C381 PolarHBondContact O-N 2.95Å; C381-V383 PolarHBondContact O-N 3.16Å
382C43.2Very low69.3Low87 Ų8760.4 Ų60.459%0.58837%0.369SS*.  trans-73.4118.6159.8-62.20000106.2S380S380-C382 PolarHBondContact O-N 3.22Å
383V34.5Very low68Low210 Ų21064.3 Ų64.3100%1.27339%0.391SS*.  trans-73.10170.6175.10000109.1C381C381-V383 PolarHBondContact O-N 3.16Å

Retrieved 383 of 383 residues in 563.4 ms (Link to these results)

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