A0A077ZBY0_TRITR Loading...

RNase T domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBY0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 192 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.6Very low62.8Low229 Ų229134.7 Ų134.7100%1.12871%0.708SS**  0109.20-64.8-65.3-173.200107.2N3M1-N3 PolarHBondContact O-N 2.97Å
2P41.5Very low65.6Low123 Ų123132.2 Ų132.280%0.79968%0.682SS**  trans-67.1129.1168.123.2-20.5000108Q4P2-Q4 PolarHBondContact O-N 3.39Å
3N44.7Very low68.1Low146 Ų146124.3 Ų124.378%0.78165%0.646SS**  trans-55.8103.6175.2-16024.7000107.5M1 T5M1-N3 PolarHBondContact O-N 2.97Å; N3-T5 PolarHBondContact O-N 3.18Å
4Q48.7Very low70.2Confident183 Ų183123.2 Ų123.286%0.85564%0.64SS**  trans-68.893.2165.1-74.1-169.3-12.100105.1P2 N6P2-Q4 PolarHBondContact O-N 3.39Å; Q4-N6 PolarHBondContact O-N 3.23Å
5T48.8Very low72Confident85 Ų85117.1 Ų117.152%0.52161%0.606SS.*  trans-59103.1160.849.10000104.6N3 D7N3-T5 PolarHBondContact O-N 3.18Å; T5-D7 WeakPolarHBondContact CB-OD1 3.31Å; T5-D7 WeakPolarHBondContact CB-OD2 3.35Å; T5-D7 PolarHBondContact O-N 2.79Å; T5-D7 PolarHBondContact OG1-OD2 3.16Å
6N51.4Low73.7Confident147 Ų147110.9 Ų110.979%0.78657%0.574SS**  trans-71.168.8164.2-15910.2000104.7Q4 K8Q4-N6 PolarHBondContact O-N 3.23Å; N6-K8 PolarHBondContact O-N 3.3Å
7D62.4Low75.2Confident119 Ų119104.4 Ų104.464%0.63654%0.54SS*.  trans-62.895.4177.7-75.1-40.2000104.7T5 I9T5-D7 WeakPolarHBondContact CB-OD1 3.31Å; T5-D7 WeakPolarHBondContact CB-OD2 3.35Å; T5-D7 PolarHBondContact O-N 2.79Å; T5-D7 PolarHBondContact OG1-OD2 3.16Å; D7-I9 PolarHBondContact O-N 3.5Å
8K76.8Confident76.5Confident193 Ų19398.6 Ų98.684%0.83951%0.51SS*.  trans-56.5111.7174.4-74.9-174176.1-176.70106N6 D10N6-K8 PolarHBondContact O-N 3.3Å; K8-D10 PolarHBondContact O-N 3.27Å
9I85.8Confident77.6Confident117 Ų11793.4 Ų93.460%0.648%0.483SS*.  trans-51.2127.9172.4-63.1171.6000106.9D7 P11 S13 L14D7-I9 PolarHBondContact O-N 3.5Å; I9-P11 VanDerWaalsContact O-CD 3.3Å; I9-P11 WeakPolarHBondContact O-CD 3.49Å; I9-P11 VanDerWaalsContact O-N 3.1Å; I9-S13 WeakPolarHBondContact CG2-OG 3.37Å; I9-L14 HydrophobicContact CG2-CD1 4.33Å; I9-L14 HydrophobicContact CG2-CD2 4.32Å; I9-L14 HydrophobicContact CG2-CG 4.18Å
10D93Very high78.6Confident54 Ų5489.7 Ų89.729%0.28946%0.464SS..  trans-59.3115.5172-179.6-10.8000107.3K8 R12 S13K8-D10 PolarHBondContact O-N 3.27Å; D10-R12 PolarHBondContact O-N 3.04Å; D10-R12 VanDerWaalsContact OD1-CB 3.24Å; D10-R12 WeakPolarHBondContact OD1-CB 3.4Å; D10-R12 WeakPolarHBondContact OD1-CG 3.16Å; D10-R12 PolarHBondContact OD1-N 3.13Å; D10-R12 IonicContact OD1-NE 3.11Å; D10-R12 PolarHBondContact OD1-NE 3.26Å; D10-R12 VanDerWaalsContact OD1-NE 3.13Å; D10-R12 IonicContact OD2-CZ 2.71Å; D10-R12 VanDerWaalsContact OD2-CZ 3.23Å; D10-R12 IonicContact OD2-NE 3.93Å; D10-R12 PolarHBondContact OD2-NE 3.3Å; D10-R12 IonicContact OD2-NH2 2.64Å; D10-R12 PolarHBondContact OD2-NH2 2.97Å; D10-S13 WeakPolarHBondContact O-CB 3.35Å; D10-S13 PolarHBondContact O-N 3.42Å; D10-S13 PolarHBondContact O-OG 3.21Å
11P94.1Very high79.5Confident86 Ų8685.6 Ų85.656%0.55844%0.443SS*.G310 helixtrans-57.5-25.4-177.123.4-34.2000112.2I9 S13 L14I9-P11 VanDerWaalsContact O-CD 3.3Å; I9-P11 WeakPolarHBondContact O-CD 3.49Å; I9-P11 VanDerWaalsContact O-N 3.1Å; P11-S13 PolarHBondContact O-N 3.49Å; P11-L14 PolarHBondContact O-N 3.49Å; P11-L14 VanDerWaalsContact O-N 3.14Å
12R97Very high82.1Confident104 Ų10475 Ų7539%0.39239%0.391SS..G310 helixtrans-64.6-24.5176.1-54.7-179.3-65.71652.1113D10 L14 R15 P110 C114D10-R12 PolarHBondContact O-N 3.04Å; D10-R12 VanDerWaalsContact OD1-CB 3.24Å; D10-R12 WeakPolarHBondContact OD1-CB 3.4Å; D10-R12 WeakPolarHBondContact OD1-CG 3.16Å; D10-R12 PolarHBondContact OD1-N 3.13Å; D10-R12 IonicContact OD1-NE 3.11Å; D10-R12 PolarHBondContact OD1-NE 3.26Å; D10-R12 VanDerWaalsContact OD1-NE 3.13Å; D10-R12 IonicContact OD2-CZ 2.71Å; D10-R12 VanDerWaalsContact OD2-CZ 3.23Å; D10-R12 IonicContact OD2-NE 3.93Å; D10-R12 PolarHBondContact OD2-NE 3.3Å; D10-R12 IonicContact OD2-NH2 2.64Å; D10-R12 PolarHBondContact OD2-NH2 2.97Å; R12-L14 PolarHBondContact O-N 3.09Å; R12-R15 WeakPolarHBondContact O-CG 3.36Å; R12-R15 PolarHBondContact O-N 3.07Å; R12-P110 HydrophobicContact CB-CG 4.04Å; R12-C114 PolarHBondContact O-SG 3.29Å
13S97.3Very high84.7Confident30 Ų3069.8 Ų69.821%0.2136%0.356CS..G310 helixtrans-75.5-6177.379.40000113.4I9 D10 P11I9-S13 WeakPolarHBondContact CG2-OG 3.37Å; D10-S13 WeakPolarHBondContact O-CB 3.35Å; D10-S13 PolarHBondContact O-N 3.42Å; D10-S13 PolarHBondContact O-OG 3.21Å; P11-S13 PolarHBondContact O-N 3.49Å
14L97.1Very high87.2Confident109 Ų10963 Ų6357%0.57132%0.32SS*.G310 helixtrans-102.45.6177.9-59.9178.2000112.6I9 P11 R12 G43I9-L14 HydrophobicContact CG2-CD1 4.33Å; I9-L14 HydrophobicContact CG2-CD2 4.32Å; I9-L14 HydrophobicContact CG2-CG 4.18Å; P11-L14 PolarHBondContact O-N 3.49Å; P11-L14 VanDerWaalsContact O-N 3.14Å; R12-L14 PolarHBondContact O-N 3.09Å; L14-G43 WeakPolarHBondContact O-CA 3.27Å; L14-G43 PolarHBondContact O-N 3.33Å
15R98.4Very high89.4Confident31 Ų3154.3 Ų54.312%0.11728%0.279CS..  trans-74.9166.7-178.7-70.7174.7173.8171.9-4.9112.4R12 I40 T41 E42 H108 V109 C114R12-R15 WeakPolarHBondContact O-CG 3.36Å; R12-R15 PolarHBondContact O-N 3.07Å; R15-I40 HydrophobicContact CB-CG2 4.14Å; R15-I40 HydrophobicContact CG-CG2 4.38Å; R15-T41 VanDerWaalsContact CA-O 3.32Å; R15-T41 WeakPolarHBondContact CA-O 3.33Å; R15-T41 WeakPolarHBondContact CB-O 3Å; R15-T41 WeakPolarHBondContact CG-O 3.44Å; R15-E42 IonicContact NE-OE2 3.13Å; R15-E42 PolarHBondContact NE-OE2 2.86Å; R15-E42 IonicContact NH2-OE1 3.46Å; R15-H108 WeakPolarHBondContact CD-O 3.17Å; R15-H108 PolarHBondContact NH1-O 3.21Å; R15-V109 HydrophobicContact CB-CG2 4.3Å; R15-C114 PolarHBondContact N-SG 3.5Å; R15-C114 WeakPolarHBondContact O-CB 3.29Å; R15-C114 PolarHBondContact O-SG 3.29Å
16L98.6Very high91.6Very high18 Ų1855.4 Ų55.49%0.09428%0.282CS..EExtended strand (participates in β ladder)trans-113.7138.5169.1-60.1178.5000109.5W18 T41 L47 P115 A117 V144L16-W18 HydrophobicContact CD1-CZ2 3.92Å; L16-T41 PolarHBondContact N-O 3.49Å; L16-T41 PolarHBondContact O-N 3.03Å; L16-T41 VanDerWaalsContact O-N 3.13Å; L16-L47 HydrophobicContact CD1-CD2 3.68Å; L16-P115 HydrophobicContact CD2-CG 3.52Å; L16-A117 HydrophobicContact CB-CB 4.18Å; L16-V144 HydrophobicContact CD2-CG2 3.79Å
17V98.8Very high93.7Very high0 Ų051.8 Ų51.80%026%0.262CS..EExtended strand (participates in β ladder)trans-104.4105175.4-175.60000107.9I19 I40 V105 V109 C114 P115 L116 A117 L139V17-I19 HydrophobicContact CG1-CD1 3.77Å; V17-I19 HydrophobicContact CG1-CG1 3.99Å; V17-I40 HydrophobicContact CB-CD1 4.26Å; V17-I40 HydrophobicContact CG1-CD1 3.94Å; V17-I40 HydrophobicContact CG2-CD1 3.96Å; V17-V105 HydrophobicContact CG1-CG2 4.07Å; V17-V105 HydrophobicContact CG2-CG1 4.43Å; V17-V109 HydrophobicContact CG2-CB 4.47Å; V17-V109 HydrophobicContact CG2-CG1 4.32Å; V17-V109 HydrophobicContact CG2-CG2 3.77Å; V17-C114 HydrophobicContact CG2-CB 3.96Å; V17-P115 PolarHBondContact N-O 2.97Å; V17-P115 VanDerWaalsContact N-O 3.11Å; V17-L116 CarbonylContact O-C 3.53Å; V17-L116 WeakPolarHBondContact O-CA 3.49Å; V17-A117 PolarHBondContact O-N 3.05Å; V17-L139 HydrophobicContact CB-CD2 3.91Å; V17-L139 HydrophobicContact CG1-CD2 3.92Å; V17-L139 HydrophobicContact CG2-CD2 3.75Å
18W98.6Very high95.3Very high1 Ų147.7 Ų47.70%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-90.1117.5179.9-57.874.7000108.9L16 C38 I39 T41 L47 A117 V146 I170 R174 M177L16-W18 HydrophobicContact CD1-CZ2 3.92Å; W18-C38 CarbonylContact O-C 3.46Å; W18-C38 VanDerWaalsContact O-CA 3.23Å; W18-C38 WeakPolarHBondContact O-CA 3.39Å; W18-I39 HydrophobicContact CB-CB 4.14Å; W18-I39 WeakPolarHBondContact CB-O 3.23Å; W18-I39 PolarHBondContact N-O 3.37Å; W18-I39 PolarHBondContact O-N 3.44Å; W18-T41 VanDerWaalsContact NE1-CG2 3.33Å; W18-T41 PolarHBondContact NE1-OG1 3.42Å; W18-L47 HydrophobicContact CH2-CD1 4.13Å; W18-L47 HydrophobicContact CZ2-CD1 3.89Å; W18-L47 HydrophobicContact CZ2-CD2 4.11Å; W18-A117 VanDerWaalsContact CA-O 3.29Å; W18-A117 WeakPolarHBondContact CA-O 3.41Å; W18-A117 HydrophobicContact CD2-CB 3.56Å; W18-A117 HydrophobicContact CE3-CB 3.78Å; W18-A117 HydrophobicContact CG-CB 3.97Å; W18-A117 HydrophobicContact CH2-CB 4.29Å; W18-A117 HydrophobicContact CZ2-CB 4.1Å; W18-A117 HydrophobicContact CZ3-CB 4.14Å; W18-V146 HydrophobicContact CH2-CG2 4.21Å; W18-V146 HydrophobicContact CZ3-CG2 3.81Å; W18-I170 HydrophobicContact CB-CB 4.45Å; W18-R174 HydrophobicContact CE3-CB 4.43Å; W18-R174 HydrophobicContact CH2-CB 4.35Å; W18-R174 HydrophobicContact CH2-CG 4.42Å; W18-R174 HydrophobicContact CZ2-CG 4.29Å; W18-R174 HydrophobicContact CZ3-CB 4.25Å; W18-M177 HydrophobicContact CH2-CB 3.92Å; W18-M177 HydrophobicContact CH2-CG 4.12Å
19I98.5Very high96.2Very high0 Ų044.5 Ų44.50%023%0.233CC..EExtended strand (participates in β ladder)trans-133.4134.6176-63.3164.7000108.5V17 V36 A37 C38 L101 L116 A117 L128 L135 L139V17-I19 HydrophobicContact CG1-CD1 3.77Å; V17-I19 HydrophobicContact CG1-CG1 3.99Å; I19-V36 HydrophobicContact CG2-CG2 3.58Å; I19-A37 VanDerWaalsContact CA-O 3.29Å; I19-A37 WeakPolarHBondContact CA-O 3.18Å; I19-A37 WeakPolarHBondContact CG2-O 3.47Å; I19-C38 HydrophobicContact CG1-CB 4.11Å; I19-L101 HydrophobicContact CD1-CD2 4.4Å; I19-L116 HydrophobicContact CB-CD1 3.64Å; I19-L116 HydrophobicContact CD1-CD1 4.17Å; I19-L116 HydrophobicContact CG1-CD1 4.15Å; I19-A117 PolarHBondContact N-O 3.17Å; I19-L128 HydrophobicContact CB-CD1 4.45Å; I19-L128 HydrophobicContact CD1-CD1 4.3Å; I19-L128 HydrophobicContact CG2-CD1 3.94Å; I19-L128 HydrophobicContact CG2-CD2 4.39Å; I19-L135 HydrophobicContact CD1-CD2 4.1Å; I19-L139 HydrophobicContact CD1-CD1 4.46Å
20D97.5Very high96.7Very high19 Ų1943 Ų4310%0.10223%0.23CC..EExtended strand (participates in β ladder)trans-122.2146.2167.1-178.692.3000108.5V36 A37 A166 I170D20-V36 WeakPolarHBondContact O-CA 3.33Å; D20-A37 PolarHBondContact N-O 2.88Å; D20-A37 PolarHBondContact O-N 3.3Å; D20-A37 VanDerWaalsContact O-N 3.13Å; D20-A166 HydrophobicContact CB-CB 4.3Å; D20-A166 VanDerWaalsContact OD2-CA 3.29Å; D20-A166 WeakPolarHBondContact OD2-CA 3.4Å; D20-I170 HydrophobicContact CB-CG2 3.26Å; D20-I170 VanDerWaalsContact N-CG2 3.31Å
21C97.6Very high96.9Very high4 Ų441.6 Ų41.63%0.02722%0.221CC..EExtended strand (participates in β ladder)trans-119.5137.8177.6-67.20000109.2M23 L33 E35 D124C21-M23 HydrophobicContact CB-CE 4.5Å; C21-M23 HydrophobicContact CB-CG 4.49Å; C21-M23 HydrophobicContact CB-SD 3.49Å; C21-M23 WeakPolarHBondContact CB-SD 3.25Å; C21-L33 HydrophobicContact CB-CD1 3.5Å; C21-L33 VanDerWaalsContact CB-CD1 3.5Å; C21-E35 WeakPolarHBondContact CA-O 3.12Å; C21-D124 HydrophobicContact CB-CB 4.45Å; C21-D124 WeakPolarHBondContact CB-OD1 3.49Å; C21-D124 PolarHBondContact N-OD1 3.14Å
22E97.1Very high97.1Very high6 Ų640.1 Ų40.13%0.02821%0.207CC..EExtended strand (participates in β ladder)trans-102.2135.1163.6-64.3-68-169.200110.1L34 E35 K75 H76 L83 F164 A166E22-L34 HydrophobicContact CB-CB 4.48Å; E22-L34 WeakPolarHBondContact O-CA 3.45Å; E22-L34 WeakPolarHBondContact O-CB 3.43Å; E22-L34 PolarHBondContact O-N 3.5Å; E22-E35 HydrophobicContact CB-CB 3.87Å; E22-E35 HydrophobicContact CG-CB 4.15Å; E22-E35 PolarHBondContact N-O 3.5Å; E22-E35 PolarHBondContact O-N 3.14Å; E22-K75 WeakPolarHBondContact OE1-CE 3.16Å; E22-K75 IonicContact OE1-NZ 2.76Å; E22-K75 PolarHBondContact OE1-NZ 3.08Å; E22-K75 WeakPolarHBondContact OE2-CE 3.39Å; E22-K75 IonicContact OE2-NZ 3.2Å; E22-K75 PolarHBondContact OE2-NZ 2.78Å; E22-H76 IonicContact OE2-CE1 2.7Å; E22-H76 PolarHBondContact OE2-CE1 2.78Å; E22-H76 IonicContact OE2-NE2 3.67Å; E22-L83 HydrophobicContact CB-CD2 3.51Å; E22-L83 HydrophobicContact CG-CD2 3.92Å; E22-F164 VanDerWaalsContact OE1-C 3.3Å; E22-A166 HydrophobicContact CG-CB 4.18Å
23M97Very high97.1Very high14 Ų1435.2 Ų35.27%0.06919%0.188CC..EExtended strand (participates in β ladder)trans-133.3162.1-172.6-55.584.490.600112.3C21 G25 H32 L33 S72 H76 Q123 F127C21-M23 HydrophobicContact CB-CE 4.5Å; C21-M23 HydrophobicContact CB-CG 4.49Å; C21-M23 HydrophobicContact CB-SD 3.49Å; C21-M23 WeakPolarHBondContact CB-SD 3.25Å; M23-G25 VanDerWaalsContact CB-O 3.32Å; M23-G25 WeakPolarHBondContact CB-O 3.3Å; M23-G25 PolarHBondContact O-N 2.87Å; M23-G25 VanDerWaalsContact O-N 3.16Å; M23-H32 CarbonylContact C-O 3.57Å; M23-H32 VanDerWaalsContact CA-O 3.24Å; M23-H32 WeakPolarHBondContact CA-O 3.45Å; M23-H32 WeakPolarHBondContact CB-O 3.31Å; M23-L33 HydrophobicContact CG-CD1 4.29Å; M23-S72 PolarHBondContact O-OG 3.07Å; M23-H76 PolarHBondContact O-NE2 3.29Å; M23-Q123 HydrophobicContact CE-CG 3.63Å; M23-F127 HydrophobicContact CB-CD1 4.44Å; M23-F127 HydrophobicContact CB-CE1 3.87Å; M23-F127 HydrophobicContact CB-CE2 4.43Å; M23-F127 HydrophobicContact CB-CZ 3.84Å; M23-F127 HydrophobicContact CE-CD2 3.58Å; M23-F127 HydrophobicContact CE-CE2 3.65Å; M23-F127 HydrophobicContact CE-CG 4.18Å; M23-F127 HydrophobicContact CE-CZ 4.32Å; M23-F127 HydrophobicContact CG-CD1 3.57Å; M23-F127 HydrophobicContact CG-CD2 4.02Å; M23-F127 HydrophobicContact CG-CE1 3.49Å; M23-F127 VanDerWaalsContact CG-CE1 3.49Å; M23-F127 HydrophobicContact CG-CE2 3.93Å; M23-F127 HydrophobicContact CG-CG 3.82Å; M23-F127 HydrophobicContact CG-CZ 3.65Å; M23-F127 HydrophobicContact SD-CD2 4.45Å
24T96.9Very high97.2Very high2 Ų233.8 Ų33.81%0.01218%0.178CC..SBendtrans-72.22.2172.8640000114.3K31 H32 L34 V64 M68 D69T24-K31 WeakPolarHBondContact O-CD 3.48Å; T24-K31 PolarHBondContact O-NZ 3.25Å; T24-K31 WeakPolarHBondContact OG1-CA 3.46Å; T24-H32 HydrophobicContact CG2-CB 4.13Å; T24-H32 PolarHBondContact N-O 3.24Å; T24-H32 PolarHBondContact OG1-N 3.21Å; T24-L34 HydrophobicContact CG2-CD1 3.95Å; T24-L34 HydrophobicContact CG2-CD2 3.66Å; T24-L34 HydrophobicContact CG2-CG 3.91Å; T24-V64 HydrophobicContact CG2-CG1 4.03Å; T24-M68 HydrophobicContact CG2-CE 4.15Å; T24-M68 WeakPolarHBondContact O-CA 3.47Å; T24-M68 WeakPolarHBondContact O-CG 3.4Å; T24-D69 PolarHBondContact O-N 3.3Å; T24-D69 VanDerWaalsContact O-N 3.16Å
25G95.6Very high97.2Very high1 Ų128.6 Ų28.61%0.0115%0.151CC..  trans155.1-172.8179.600000111.9M23 D69 S72 F127M23-G25 VanDerWaalsContact CB-O 3.32Å; M23-G25 WeakPolarHBondContact CB-O 3.3Å; M23-G25 PolarHBondContact O-N 2.87Å; M23-G25 VanDerWaalsContact O-N 3.16Å; G25-D69 WeakPolarHBondContact CA-OD2 3.26Å; G25-S72 PolarHBondContact N-OG 3.36Å; G25-F127 WeakPolarHBondContact O-CZ 3.3Å
26L94.4Very high97.3Very high109 Ų10927.1 Ų27.157%0.57115%0.146SC*.SBendtrans-95.2-22.1-171.5-59.3178.2000115.9V28 Q123L26-V28 PolarHBondContact O-N 2.82Å; L26-V28 VanDerWaalsContact O-N 3.12Å; L26-Q123 HydrophobicContact CD2-CG 4.06Å; L26-Q123 PolarHBondContact O-NE2 3.46Å
27D95.9Very high97.3Very high70 Ų7026.3 Ų26.337%0.37414%0.141SC..  trans-76.3103.1179.3172.518.1000111.1N29 T30 K31D27-N29 PolarHBondContact O-N 3.1Å; D27-N29 WeakPolarHBondContact OD1-CB 3.4Å; D27-N29 PolarHBondContact OD1-N 3.39Å; D27-N29 PolarHBondContact OD1-ND2 3.29Å; D27-N29 VanDerWaalsContact OD1-ND2 3.14Å; D27-T30 WeakPolarHBondContact CB-OG1 3.38Å; D27-T30 VanDerWaalsContact CG-OG1 3.3Å; D27-T30 PolarHBondContact O-N 2.77Å; D27-T30 VanDerWaalsContact OD2-CG2 3.27Å; D27-T30 WeakPolarHBondContact OD2-CG2 3.5Å; D27-T30 PolarHBondContact OD2-OG1 3.34Å; D27-K31 HydrophobicContact CB-CG 4.28Å; D27-K31 WeakPolarHBondContact O-CB 3.31Å; D27-K31 VanDerWaalsContact O-CG 3.25Å; D27-K31 WeakPolarHBondContact O-CG 3.46Å; D27-K31 PolarHBondContact O-N 3.06Å
28V96.2Very high97.2Very high34 Ų3426.3 Ų26.321%0.20614%0.141CC..THydrogen-bonded Turntrans-53.2-24.1-179.772.80000113.8L26 A126 F127 K130L26-V28 PolarHBondContact O-N 2.82Å; L26-V28 VanDerWaalsContact O-N 3.12Å; V28-A126 HydrophobicContact CG2-CB 4.48Å; V28-A126 WeakPolarHBondContact CG2-O 3.15Å; V28-F127 HydrophobicContact CB-CD2 4.37Å; V28-F127 HydrophobicContact CB-CE2 4.21Å; V28-F127 HydrophobicContact CG2-CD2 4.19Å; V28-F127 HydrophobicContact CG2-CE2 4.45Å; V28-F127 HydrophobicContact CG2-CG 4.26Å; V28-K130 HydrophobicContact CG2-CB 3.99Å; V28-K130 HydrophobicContact CG2-CD 3.87Å; V28-K130 WeakPolarHBondContact O-CD 3.5Å; V28-K130 WeakPolarHBondContact O-CE 3.34Å; V28-K130 PolarHBondContact O-NZ 3.15Å
29N95.6Very high97.3Very high125 Ų12526.3 Ų26.367%0.66814%0.141SC*.THydrogen-bonded Turntrans-79.6-34.2-178.8-59.7-65.6000112.6D27 K130D27-N29 PolarHBondContact O-N 3.1Å; D27-N29 WeakPolarHBondContact OD1-CB 3.4Å; D27-N29 PolarHBondContact OD1-N 3.39Å; D27-N29 PolarHBondContact OD1-ND2 3.29Å; D27-N29 VanDerWaalsContact OD1-ND2 3.14Å; N29-K130 PolarHBondContact O-NZ 3.4Å
30T95.7Very high97.3Very high85 Ų8526.3 Ų26.352%0.52114%0.141SC..THydrogen-bonded Turntrans-110.1-17-172.958.90000113.8D27D27-T30 WeakPolarHBondContact CB-OG1 3.38Å; D27-T30 VanDerWaalsContact CG-OG1 3.3Å; D27-T30 PolarHBondContact O-N 2.77Å; D27-T30 VanDerWaalsContact OD2-CG2 3.27Å; D27-T30 WeakPolarHBondContact OD2-CG2 3.5Å; D27-T30 PolarHBondContact OD2-OG1 3.34Å
31K97.4Very high97.3Very high25 Ų2525.4 Ų25.411%0.10914%0.137CC..  trans-104.3158.4-175.4-56.1-58.7-167.5156.90111.5T24 D27 K67 D69 F127 Y131T24-K31 WeakPolarHBondContact O-CD 3.48Å; T24-K31 PolarHBondContact O-NZ 3.25Å; T24-K31 WeakPolarHBondContact OG1-CA 3.46Å; D27-K31 HydrophobicContact CB-CG 4.28Å; D27-K31 WeakPolarHBondContact O-CB 3.31Å; D27-K31 VanDerWaalsContact O-CG 3.25Å; D27-K31 WeakPolarHBondContact O-CG 3.46Å; D27-K31 PolarHBondContact O-N 3.06Å; K31-K67 PolarHBondContact NZ-O 2.95Å; K31-D69 VanDerWaalsContact NZ-N 3.11Å; K31-D69 IonicContact NZ-OD2 3.63Å; K31-F127 HydrophobicContact CB-CE1 4.13Å; K31-F127 HydrophobicContact CB-CZ 3.78Å; K31-Y131 PolarHBondContact O-OH 3.1Å
32H98Very high97.3Very high56 Ų5627.6 Ų27.626%0.25915%0.146SC..  trans-126.4148.4-166.4-71.9-114000111.2M23 T24 Q60 V64M23-H32 CarbonylContact C-O 3.57Å; M23-H32 VanDerWaalsContact CA-O 3.24Å; M23-H32 WeakPolarHBondContact CA-O 3.45Å; M23-H32 WeakPolarHBondContact CB-O 3.31Å; T24-H32 HydrophobicContact CG2-CB 4.13Å; T24-H32 PolarHBondContact N-O 3.24Å; T24-H32 PolarHBondContact OG1-N 3.21Å; H32-Q60 HydrophobicContact CB-CG 4.49Å; H32-Q60 PolarHBondContact ND1-OE1 2.84Å; H32-V64 HydrophobicContact CB-CG1 3.7Å
33L97.8Very high97.3Very high0 Ų029.1 Ų29.10%016%0.164CC..EExtended strand (participates in β ladder)trans-75.2134.5175.9-168.966.2000110.8C21 M23 I58 Q60 Y131 M132C21-L33 HydrophobicContact CB-CD1 3.5Å; C21-L33 VanDerWaalsContact CB-CD1 3.5Å; M23-L33 HydrophobicContact CG-CD1 4.29Å; L33-I58 HydrophobicContact CB-CD1 4.4Å; L33-I58 HydrophobicContact CD2-CD1 3.45Å; L33-I58 VanDerWaalsContact CD2-CD1 3.45Å; L33-I58 HydrophobicContact CG-CD1 3.79Å; L33-Q60 PolarHBondContact O-NE2 3.42Å; L33-Y131 HydrophobicContact CB-CD2 4.37Å; L33-Y131 HydrophobicContact CB-CG 4.5Å; L33-M132 HydrophobicContact CD2-CE 3.6Å; L33-M132 HydrophobicContact CD2-SD 4.36Å
34L98.3Very high97.1Very high0 Ų031.4 Ų31.40%018%0.177CC..EExtended strand (participates in β ladder)trans-116.4-43-176.8-61.7176000112.2E22 T24 I58 Q60 L65 M68 H76 L83 V87E22-L34 HydrophobicContact CB-CB 4.48Å; E22-L34 WeakPolarHBondContact O-CA 3.45Å; E22-L34 WeakPolarHBondContact O-CB 3.43Å; E22-L34 PolarHBondContact O-N 3.5Å; T24-L34 HydrophobicContact CG2-CD1 3.95Å; T24-L34 HydrophobicContact CG2-CD2 3.66Å; T24-L34 HydrophobicContact CG2-CG 3.91Å; L34-I58 PolarHBondContact O-N 3.37Å; L34-Q60 HydrophobicContact CD2-CB 4.36Å; L34-Q60 HydrophobicContact CD2-CG 3.69Å; L34-L65 HydrophobicContact CD2-CD2 3.99Å; L34-M68 HydrophobicContact CD1-CE 3.89Å; L34-H76 VanDerWaalsContact CD1-CD2 3.47Å; L34-H76 WeakPolarHBondContact CD1-CD2 3.47Å; L34-L83 HydrophobicContact CB-CD2 4.04Å; L34-L83 HydrophobicContact CD1-CD2 4.48Å; L34-V87 HydrophobicContact CB-CG2 3.95Å; L34-V87 HydrophobicContact CD2-CG1 4.01Å; L34-V87 HydrophobicContact CD2-CG2 4.01Å
35E98.5Very high96.9Very high0 Ų032.8 Ų32.80%019%0.186CC..EExtended strand (participates in β ladder)trans-139.5145.8177.9-165.8175.5-152.400108.8C21 E22 N55 L56 I57 L83 R165 A166C21-E35 WeakPolarHBondContact CA-O 3.12Å; E22-E35 HydrophobicContact CB-CB 3.87Å; E22-E35 HydrophobicContact CG-CB 4.15Å; E22-E35 PolarHBondContact N-O 3.5Å; E22-E35 PolarHBondContact O-N 3.14Å; E35-N55 VanDerWaalsContact CG-OD1 3.29Å; E35-N55 WeakPolarHBondContact CG-OD1 3.32Å; E35-N55 PolarHBondContact OE1-ND2 3.16Å; E35-N55 PolarHBondContact OE1-OD1 2.92Å; E35-L56 CarbonylContact C-O 3.54Å; E35-L56 VanDerWaalsContact CA-O 3.27Å; E35-L56 WeakPolarHBondContact CA-O 3.34Å; E35-I57 HydrophobicContact CG-CG1 4.35Å; E35-L83 HydrophobicContact CB-CD1 3.95Å; E35-L83 HydrophobicContact CB-CD2 4Å; E35-L83 HydrophobicContact CG-CD1 4.37Å; E35-R165 IonicContact OE1-CZ 3.18Å; E35-R165 IonicContact OE1-NE 3.34Å; E35-R165 PolarHBondContact OE1-NE 3.38Å; E35-R165 VanDerWaalsContact OE1-NE 3.13Å; E35-R165 IonicContact OE1-NH2 3.04Å; E35-R165 PolarHBondContact OE1-NH2 3.26Å; E35-R165 IonicContact OE2-CZ 3.63Å; E35-R165 IonicContact OE2-NE 3.65Å; E35-R165 PolarHBondContact OE2-NE 2.93Å; E35-R165 IonicContact OE2-NH2 2.79Å; E35-A166 HydrophobicContact CB-CB 4.28Å; E35-A166 HydrophobicContact CG-CB 3.87Å; E35-A166 PolarHBondContact OE2-N 2.75Å
36V98.6Very high96.8Very high1 Ų135.8 Ų35.81%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-137.3131.5167.164.20000109.4I19 D20 L56 I58 L101 L128 M132I19-V36 HydrophobicContact CG2-CG2 3.58Å; D20-V36 WeakPolarHBondContact O-CA 3.33Å; V36-L56 HydrophobicContact CG1-CB 3.89Å; V36-L56 HydrophobicContact CG1-CD1 4.24Å; V36-L56 PolarHBondContact N-O 3Å; V36-L56 PolarHBondContact O-N 2.95Å; V36-I58 HydrophobicContact CG1-CD1 4.37Å; V36-L101 HydrophobicContact CG1-CD2 4.1Å; V36-L101 HydrophobicContact CG2-CD2 3.57Å; V36-L128 HydrophobicContact CG2-CD2 4.37Å; V36-M132 HydrophobicContact CG1-CE 3.99Å
37A98.6Very high96.9Very high0 Ų030.9 Ų30.90%018%0.181CC..EExtended strand (participates in β ladder)trans-122.4152.8177.200000110.9I19 D20 P54 N55 A166 M167 I170I19-A37 VanDerWaalsContact CA-O 3.29Å; I19-A37 WeakPolarHBondContact CA-O 3.18Å; I19-A37 WeakPolarHBondContact CG2-O 3.47Å; D20-A37 PolarHBondContact N-O 2.88Å; D20-A37 PolarHBondContact O-N 3.3Å; D20-A37 VanDerWaalsContact O-N 3.13Å; A37-P54 WeakPolarHBondContact CA-O 3.5Å; A37-N55 HydrophobicContact CB-CB 4.48Å; A37-A166 HydrophobicContact CB-CB 3.57Å; A37-M167 HydrophobicContact CB-CB 3.95Å; A37-M167 HydrophobicContact CB-CE 3.97Å; A37-M167 VanDerWaalsContact CB-N 3.34Å; A37-M167 HydrophobicContact CB-SD 4.47Å; A37-I170 HydrophobicContact CB-CD1 3.75Å
38C98.7Very high97Very high0 Ų034.5 Ų34.50%019%0.193CC..EExtended strand (participates in β ladder)trans-136.9143.6178.5-170.10000113.2W18 I19 G53 P54 L101 F104W18-C38 CarbonylContact O-C 3.46Å; W18-C38 VanDerWaalsContact O-CA 3.23Å; W18-C38 WeakPolarHBondContact O-CA 3.39Å; I19-C38 HydrophobicContact CG1-CB 4.11Å; C38-G53 CarbonylContact C-O 3.54Å; C38-G53 WeakPolarHBondContact CB-O 3.49Å; C38-G53 CarbonylContact O-C 3.53Å; C38-G53 WeakPolarHBondContact O-CA 3.21Å; C38-G53 PolarHBondContact O-N 3.25Å; C38-P54 PolarHBondContact N-O 3.23Å; C38-L101 HydrophobicContact CB-CD1 3.32Å; C38-F104 HydrophobicContact CB-CD1 4.38Å; C38-F104 HydrophobicContact CB-CE1 4.27Å
39I98.7Very high97.1Very high1 Ų135.9 Ų35.91%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-135.4137.5167.5-64.7173.5000108.1W18 T41 I49 K52 M167 I170 E171W18-I39 HydrophobicContact CB-CB 4.14Å; W18-I39 WeakPolarHBondContact CB-O 3.23Å; W18-I39 PolarHBondContact N-O 3.37Å; W18-I39 PolarHBondContact O-N 3.44Å; I39-T41 HydrophobicContact CG2-CG2 3.94Å; I39-I49 HydrophobicContact CG2-CG1 4.14Å; I39-I49 HydrophobicContact CG2-CG2 4.2Å; I39-K52 HydrophobicContact CG1-CG 4.12Å; I39-M167 HydrophobicContact CD1-SD 3.85Å; I39-M167 HydrophobicContact CG1-SD 3.88Å; I39-I170 HydrophobicContact CB-CD1 4.29Å; I39-I170 HydrophobicContact CD1-CD1 3.87Å; I39-I170 HydrophobicContact CD1-CG1 3.79Å; I39-I170 HydrophobicContact CG1-CD1 3.68Å; I39-I170 HydrophobicContact CG1-CG1 4.19Å; I39-E171 HydrophobicContact CD1-CG 3.44Å; I39-E171 VanDerWaalsContact CD1-CG 3.44Å
40I98.8Very high97.2Very high0 Ų032.1 Ų32.10%018%0.18CC..EExtended strand (participates in β ladder)trans-104.4128.4168.6-48.9-60.5000108.3R15 V17 V50 A51 F104 V105 H108 V109R15-I40 HydrophobicContact CB-CG2 4.14Å; R15-I40 HydrophobicContact CG-CG2 4.38Å; V17-I40 HydrophobicContact CB-CD1 4.26Å; V17-I40 HydrophobicContact CG1-CD1 3.94Å; V17-I40 HydrophobicContact CG2-CD1 3.96Å; I40-V50 HydrophobicContact CB-CB 4.37Å; I40-V50 HydrophobicContact CG2-CB 4.19Å; I40-V50 PolarHBondContact O-N 3.13Å; I40-A51 HydrophobicContact CB-CB 4.35Å; I40-A51 HydrophobicContact CG1-CB 4.41Å; I40-A51 PolarHBondContact N-O 3.15Å; I40-A51 PolarHBondContact O-N 3.05Å; I40-F104 HydrophobicContact CD1-CE1 4.02Å; I40-F104 HydrophobicContact CG1-CE1 3.56Å; I40-F104 HydrophobicContact CG1-CZ 3.98Å; I40-V105 HydrophobicContact CD1-CG2 4.44Å; I40-H108 HydrophobicContact CB-CB 4.39Å; I40-H108 HydrophobicContact CG1-CB 3.98Å; I40-H108 HydrophobicContact CG2-CB 4.05Å; I40-V109 HydrophobicContact CD1-CG2 4.31Å; I40-V109 HydrophobicContact CG2-CG2 4.24Å
41T98.7Very high97.4Very high0 Ų028.7 Ų28.70%016%0.161CC..EExtended strand (participates in β ladder)trans-119.7161.9171.3710000110.9R15 L16 W18 I39 L47 K48 I49R15-T41 VanDerWaalsContact CA-O 3.32Å; R15-T41 WeakPolarHBondContact CA-O 3.33Å; R15-T41 WeakPolarHBondContact CB-O 3Å; R15-T41 WeakPolarHBondContact CG-O 3.44Å; L16-T41 PolarHBondContact N-O 3.49Å; L16-T41 PolarHBondContact O-N 3.03Å; L16-T41 VanDerWaalsContact O-N 3.13Å; W18-T41 VanDerWaalsContact NE1-CG2 3.33Å; W18-T41 PolarHBondContact NE1-OG1 3.42Å; I39-T41 HydrophobicContact CG2-CG2 3.94Å; T41-L47 WeakPolarHBondContact CG2-O 3.36Å; T41-K48 CarbonylContact C-O 3.34Å; T41-K48 WeakPolarHBondContact CA-O 3.47Å; T41-K48 WeakPolarHBondContact CB-O 3.2Å; T41-I49 HydrophobicContact CG2-CG1 4.39Å
42E97.8Very high97.4Very high50 Ų5032.7 Ų32.723%0.23418%0.178CC..  trans-60.4152.6156.5-53.2-60.7-179.700109.4R15 D44 K48 V50R15-E42 IonicContact NE-OE2 3.13Å; R15-E42 PolarHBondContact NE-OE2 2.86Å; R15-E42 IonicContact NH2-OE1 3.46Å; E42-D44 VanDerWaalsContact CB-OD2 3.3Å; E42-D44 WeakPolarHBondContact CB-OD2 3.39Å; E42-K48 HydrophobicContact CG-CB 4.35Å; E42-K48 PolarHBondContact N-O 3.36Å; E42-V50 VanDerWaalsContact CD-CG2 3.47Å; E42-V50 HydrophobicContact CG-CG2 3.85Å; E42-V50 WeakPolarHBondContact OE1-CG2 3.49Å
43G95.5Very high97.3Very high39 Ų3930.5 Ų30.540%0.40217%0.171SC..SBendtrans-96.35.4178.400000114.5L14L14-G43 WeakPolarHBondContact O-CA 3.27Å; L14-G43 PolarHBondContact O-N 3.33Å
44D93.9Very high97.3Very high62 Ų6231.9 Ų31.933%0.33218%0.18SC..SBendtrans-76.2166.7168.771.969000111.3E42 S46 L47E42-D44 VanDerWaalsContact CB-OD2 3.3Å; E42-D44 WeakPolarHBondContact CB-OD2 3.39Å; D44-S46 PolarHBondContact O-N 3.16Å; D44-S46 WeakPolarHBondContact OD1-CA 3.29Å; D44-S46 WeakPolarHBondContact OD1-CB 3.38Å; D44-S46 PolarHBondContact OD1-N 3.28Å; D44-S46 PolarHBondContact OD1-OG 2.87Å; D44-L47 PolarHBondContact O-N 3.4Å
45P92.8Very high97.3Very high31 Ų3135.1 Ų35.120%0.20120%0.197CC..THydrogen-bonded Turntrans-56.3-16.3-177-30.239.2000116.3L47 I181 T188 F192P45-L47 VanDerWaalsContact C-N 3.28Å; P45-L47 PolarHBondContact O-N 2.92Å; P45-I181 HydrophobicContact CB-CG2 3.87Å; P45-T188 HydrophobicContact CG-CG2 4.23Å; P45-F192 HydrophobicContact CG-CD2 4.12Å; P45-F192 HydrophobicContact CG-CE2 3.73Å; P45-F192 HydrophobicContact CG-CZ 4.48Å
46S93.7Very high97.3Very high64 Ų6435.7 Ų35.745%0.44820%0.2SC..THydrogen-bonded Turntrans-70.6-24.4175.175.60000113.2D44 K48D44-S46 PolarHBondContact O-N 3.16Å; D44-S46 WeakPolarHBondContact OD1-CA 3.29Å; D44-S46 WeakPolarHBondContact OD1-CB 3.38Å; D44-S46 PolarHBondContact OD1-N 3.28Å; D44-S46 PolarHBondContact OD1-OG 2.87Å; S46-K48 PolarHBondContact O-N 2.89Å; S46-K48 PolarHBondContact OG-N 3.46Å
47L96.3Very high97.3Very high6 Ų637.3 Ų37.33%0.03121%0.208CC..  trans42.936.9-171.7-60.1-179.6000112.7L16 W18 T41 D44 P45 I49 R174 M177 L178 I181L16-L47 HydrophobicContact CD1-CD2 3.68Å; W18-L47 HydrophobicContact CH2-CD1 4.13Å; W18-L47 HydrophobicContact CZ2-CD1 3.89Å; W18-L47 HydrophobicContact CZ2-CD2 4.11Å; T41-L47 WeakPolarHBondContact CG2-O 3.36Å; D44-L47 PolarHBondContact O-N 3.4Å; P45-L47 VanDerWaalsContact C-N 3.28Å; P45-L47 PolarHBondContact O-N 2.92Å; L47-I49 PolarHBondContact O-N 2.91Å; L47-R174 HydrophobicContact CB-CG 4.26Å; L47-R174 HydrophobicContact CD1-CG 4.4Å; L47-M177 HydrophobicContact CD1-CB 3.93Å; L47-M177 HydrophobicContact CD1-CG 3.64Å; L47-L178 HydrophobicContact CB-CD2 3.98Å; L47-L178 HydrophobicContact CB-CG 4.39Å; L47-L178 HydrophobicContact CD1-CD2 4.11Å; L47-L178 HydrophobicContact CD1-CG 4.13Å; L47-L178 HydrophobicContact CG-CD2 4.15Å; L47-I181 HydrophobicContact CD1-CD1 3.81Å; L47-I181 HydrophobicContact CG-CD1 4.12Å
48K97.5Very high97.3Very high146 Ų14637.3 Ų37.364%0.63521%0.208SC*.  trans-60.1129.2-176.7-177.6-178.7176.9-1760109.8T41 E42 S46 V50T41-K48 CarbonylContact C-O 3.34Å; T41-K48 WeakPolarHBondContact CA-O 3.47Å; T41-K48 WeakPolarHBondContact CB-O 3.2Å; E42-K48 HydrophobicContact CG-CB 4.35Å; E42-K48 PolarHBondContact N-O 3.36Å; S46-K48 PolarHBondContact O-N 2.89Å; S46-K48 PolarHBondContact OG-N 3.46Å; K48-V50 PolarHBondContact O-N 2.7Å
49I98.4Very high97.3Very high62 Ų6241.2 Ų41.232%0.31823%0.226SC..EExtended strand (participates in β ladder)trans-63.6122.9175.7-61.7175.2000109.3I39 T41 L47 K52I39-I49 HydrophobicContact CG2-CG1 4.14Å; I39-I49 HydrophobicContact CG2-CG2 4.2Å; T41-I49 HydrophobicContact CG2-CG1 4.39Å; L47-I49 PolarHBondContact O-N 2.91Å; I49-K52 HydrophobicContact CG2-CB 4.27Å
50V98.5Very high97.3Very high47 Ų4742 Ų4229%0.28523%0.23SC..EExtended strand (participates in β ladder)trans-90.3-43.5172173.50000109.8I40 E42 K48I40-V50 HydrophobicContact CB-CB 4.37Å; I40-V50 HydrophobicContact CG2-CB 4.19Å; I40-V50 PolarHBondContact O-N 3.13Å; E42-V50 VanDerWaalsContact CD-CG2 3.47Å; E42-V50 HydrophobicContact CG-CG2 3.85Å; E42-V50 WeakPolarHBondContact OE1-CG2 3.49Å; K48-V50 PolarHBondContact O-N 2.7Å
51A98.4Very high97.3Very high13 Ų1344.7 Ų44.711%0.10725%0.249CC..EExtended strand (participates in β ladder)trans-152.8144.9179.100000109.9I40 F104 H108I40-A51 HydrophobicContact CB-CB 4.35Å; I40-A51 HydrophobicContact CG1-CB 4.41Å; I40-A51 PolarHBondContact N-O 3.15Å; I40-A51 PolarHBondContact O-N 3.05Å; A51-F104 HydrophobicContact CB-CE2 3.81Å; A51-F104 HydrophobicContact CB-CZ 3.49Å; A51-F104 VanDerWaalsContact CB-CZ 3.49Å; A51-H108 VanDerWaalsContact CB-NE2 3.33Å; A51-H108 WeakPolarHBondContact CB-NE2 3.29Å
52K98.4Very high97.2Very high108 Ų10848.9 Ų48.947%0.4727%0.268SS..EExtended strand (participates in β ladder)trans-123.8138.5178.3177.1172.6-175.5178.80109.3I39 I49 M167 E171I39-K52 HydrophobicContact CG1-CG 4.12Å; I49-K52 HydrophobicContact CG2-CB 4.27Å; K52-M167 HydrophobicContact CD-SD 4.29Å; K52-M167 WeakPolarHBondContact CE-SD 3.35Å; K52-M167 HydrophobicContact CG-CE 4.17Å; K52-M167 HydrophobicContact CG-SD 4Å; K52-E171 VanDerWaalsContact CE-OE1 3.26Å; K52-E171 WeakPolarHBondContact CE-OE1 3.26Å; K52-E171 IonicContact NZ-OE1 3.36Å; K52-E171 PolarHBondContact NZ-OE1 2.56Å; K52-E171 IonicContact NZ-OE2 3.5Å; K52-E171 PolarHBondContact NZ-OE2 2.82Å
53G95.6Very high97.2Very high11 Ų1153.4 Ų53.411%0.11329%0.287CS..EExtended strand (participates in β ladder)trans103.2179.2-176.200000112.4C38 F104C38-G53 CarbonylContact C-O 3.54Å; C38-G53 WeakPolarHBondContact CB-O 3.49Å; C38-G53 CarbonylContact O-C 3.53Å; C38-G53 WeakPolarHBondContact O-CA 3.21Å; C38-G53 PolarHBondContact O-N 3.25Å; G53-F104 WeakPolarHBondContact O-CD1 3.24Å; G53-F104 WeakPolarHBondContact O-CE1 3.12Å; G53-F104 WeakPolarHBondContact O-CE2 3.4Å; G53-F104 WeakPolarHBondContact O-CZ 3.23Å
54P98.2Very high97.2Very high29 Ų2952.5 Ų52.519%0.18827%0.274CS..EExtended strand (participates in β ladder)cis-68.5164.8-11.633.8-37.3000111.4A37 C38 L56 L101A37-P54 WeakPolarHBondContact CA-O 3.5Å; C38-P54 PolarHBondContact N-O 3.23Å; P54-L56 HydrophobicContact CB-CD1 4.14Å; P54-L56 HydrophobicContact CB-CD2 3.7Å; P54-L56 HydrophobicContact CB-CG 3.71Å; P54-L56 HydrophobicContact CG-CD1 3.67Å; P54-L56 HydrophobicContact CG-CD2 4.19Å; P54-L56 HydrophobicContact CG-CG 3.78Å; P54-L101 HydrophobicContact CG-CB 4.49Å; P54-L101 HydrophobicContact CG-CD1 4.15Å
55N98.3Very high97.4Very high67 Ų6750.1 Ų50.136%0.35826%0.261SS..EExtended strand (participates in β ladder)trans-113.8112.9160.6-174.812.2000107.1E35 A37 M167E35-N55 VanDerWaalsContact CG-OD1 3.29Å; E35-N55 WeakPolarHBondContact CG-OD1 3.32Å; E35-N55 PolarHBondContact OE1-ND2 3.16Å; E35-N55 PolarHBondContact OE1-OD1 2.92Å; A37-N55 HydrophobicContact CB-CB 4.48Å; N55-M167 HydrophobicContact CB-CB 4.45Å; N55-M167 HydrophobicContact CB-CE 3.98Å
56L98.7Very high97.5Very high12 Ų1254.6 Ų54.66%0.06328%0.283CS..EExtended strand (participates in β ladder)trans-119118.7-166.2-60.1176000109.9E35 V36 P54 L92 A97 Q100 L101E35-L56 CarbonylContact C-O 3.54Å; E35-L56 VanDerWaalsContact CA-O 3.27Å; E35-L56 WeakPolarHBondContact CA-O 3.34Å; V36-L56 HydrophobicContact CG1-CB 3.89Å; V36-L56 HydrophobicContact CG1-CD1 4.24Å; V36-L56 PolarHBondContact N-O 3Å; V36-L56 PolarHBondContact O-N 2.95Å; P54-L56 HydrophobicContact CB-CD1 4.14Å; P54-L56 HydrophobicContact CB-CD2 3.7Å; P54-L56 HydrophobicContact CB-CG 3.71Å; P54-L56 HydrophobicContact CG-CD1 3.67Å; P54-L56 HydrophobicContact CG-CD2 4.19Å; P54-L56 HydrophobicContact CG-CG 3.78Å; L56-L92 HydrophobicContact CB-CD2 3.85Å; L56-L92 HydrophobicContact CD2-CD2 3.95Å; L56-L92 HydrophobicContact CG-CD2 4.32Å; L56-A97 HydrophobicContact CD1-CB 4.06Å; L56-A97 WeakPolarHBondContact CD1-O 3.17Å; L56-Q100 HydrophobicContact CD1-CB 4.04Å; L56-L101 HydrophobicContact CD1-CB 4.23Å
57I98.6Very high97.5Very high35 Ų3558.2 Ų58.218%0.17929%0.291CS..EExtended strand (participates in β ladder)trans-95.8121.8175.5-54176.3000107.4E35 L83 E86 V87 S90 L92 R165E35-I57 HydrophobicContact CG-CG1 4.35Å; I57-L83 HydrophobicContact CG1-CD1 4.47Å; I57-L83 HydrophobicContact CG2-CD1 4.1Å; I57-E86 HydrophobicContact CD1-CB 3.63Å; I57-E86 HydrophobicContact CD1-CG 4.29Å; I57-E86 HydrophobicContact CG2-CB 4.18Å; I57-V87 HydrophobicContact CG2-CB 4.42Å; I57-V87 HydrophobicContact CG2-CG2 3.77Å; I57-S90 WeakPolarHBondContact O-CB 3.43Å; I57-S90 PolarHBondContact O-OG 2.94Å; I57-L92 WeakPolarHBondContact O-CB 3.29Å; I57-R165 VanDerWaalsContact CD1-NH2 3.25Å
58I98.7Very high97.5Very high0 Ų059 Ų590%029%0.294CS..PPolyproline II helixtrans-100.8129.6-173.3-65.2166.5000109.1L33 L34 V36 V87 V94 A97 M132L33-I58 HydrophobicContact CB-CD1 4.4Å; L33-I58 HydrophobicContact CD2-CD1 3.45Å; L33-I58 VanDerWaalsContact CD2-CD1 3.45Å; L33-I58 HydrophobicContact CG-CD1 3.79Å; L34-I58 PolarHBondContact O-N 3.37Å; V36-I58 HydrophobicContact CG1-CD1 4.37Å; I58-V87 WeakPolarHBondContact O-CG1 3.25Å; I58-V94 HydrophobicContact CG2-CG2 3.76Å; I58-A97 HydrophobicContact CD1-CB 3.77Å; I58-A97 HydrophobicContact CG1-CB 3.74Å; I58-M132 HydrophobicContact CD1-CE 3.85Å
59H98.6Very high97.2Very high83 Ų8354.4 Ų54.438%0.38428%0.277SS..PPolyproline II helixtrans-62136.9177.5-17868.2000111.7V87 S90 L92H59-V87 PolarHBondContact ND1-O 2.98Å; H59-S90 VanDerWaalsContact CB-O 3.31Å; H59-S90 WeakPolarHBondContact CB-O 3.39Å; H59-S90 VanDerWaalsContact CG-O 3.3Å; H59-S90 PolarHBondContact ND1-O 3.2Å; H59-L92 PolarHBondContact N-O 3.12Å
60Q98.3Very high97Very high18 Ų1859 Ų598%0.08430%0.297CS..  trans-132.8142.9167.5-65.1-61.3-20.100109.9H32 L33 L34 V64 L65 V87H32-Q60 HydrophobicContact CB-CG 4.49Å; H32-Q60 PolarHBondContact ND1-OE1 2.84Å; L33-Q60 PolarHBondContact O-NE2 3.42Å; L34-Q60 HydrophobicContact CD2-CB 4.36Å; L34-Q60 HydrophobicContact CD2-CG 3.69Å; Q60-V64 HydrophobicContact CB-CB 4.17Å; Q60-V64 HydrophobicContact CB-CG1 3.95Å; Q60-V64 HydrophobicContact CG-CG1 4.08Å; Q60-L65 HydrophobicContact CB-CD2 4.15Å; Q60-L65 HydrophobicContact CB-CG 4.35Å; Q60-V87 HydrophobicContact CB-CG1 3.84Å; Q60-V87 HydrophobicContact CG-CG1 4.18Å
61S97.6Very high96.8Very high56 Ų5664.7 Ų64.739%0.39231%0.314SS..  trans-65.7155175.467.70000111.9K63 V64 L65S61-K63 PolarHBondContact O-N 3.09Å; S61-K63 VanDerWaalsContact O-N 3.14Å; S61-V64 WeakPolarHBondContact O-CA 3.48Å; S61-V64 WeakPolarHBondContact O-CB 3.27Å; S61-V64 PolarHBondContact O-N 3.34Å; S61-L65 PolarHBondContact O-N 2.61Å; S61-L65 VanDerWaalsContact O-N 3.17Å
62E97.3Very high96.5Very high87 Ų8764.2 Ų64.241%0.40731%0.31SS..Hα-helixtrans-51.7-39.8173.6-65.5-54.1134.300112.5V64 L65 D66 R88E62-V64 PolarHBondContact O-N 3.06Å; E62-V64 VanDerWaalsContact O-N 3.08Å; E62-L65 PolarHBondContact O-N 2.81Å; E62-D66 WeakPolarHBondContact O-CB 3.47Å; E62-D66 PolarHBondContact O-N 3Å; E62-R88 WeakPolarHBondContact OE1-CD 3.46Å; E62-R88 WeakPolarHBondContact OE1-CG 3.34Å; E62-R88 IonicContact OE1-NE 2.86Å; E62-R88 PolarHBondContact OE1-NE 3.47Å; E62-R88 IonicContact OE2-CZ 2.97Å; E62-R88 IonicContact OE2-NE 2.65Å; E62-R88 PolarHBondContact OE2-NE 2.86Å; E62-R88 IonicContact OE2-NH2 3.98Å
63K97.1Very high96.2Very high146 Ų14661.3 Ų61.364%0.63531%0.306SS*.Hα-helixtrans-57.3-29.2176.8-178.8178.4176.6-1770113.9S61 K67S61-K63 PolarHBondContact O-N 3.09Å; S61-K63 VanDerWaalsContact O-N 3.14Å; K63-K67 WeakPolarHBondContact O-CG 3.21Å
64V97.1Very high96.1Very high19 Ų1965.5 Ų65.512%0.11532%0.324CS..Hα-helixtrans-82.1-44.1176.4168.80000110T24 H32 Q60 S61 E62 D66 K67 M68T24-V64 HydrophobicContact CG2-CG1 4.03Å; H32-V64 HydrophobicContact CB-CG1 3.7Å; Q60-V64 HydrophobicContact CB-CB 4.17Å; Q60-V64 HydrophobicContact CB-CG1 3.95Å; Q60-V64 HydrophobicContact CG-CG1 4.08Å; S61-V64 WeakPolarHBondContact O-CA 3.48Å; S61-V64 WeakPolarHBondContact O-CB 3.27Å; S61-V64 PolarHBondContact O-N 3.34Å; E62-V64 PolarHBondContact O-N 3.06Å; E62-V64 VanDerWaalsContact O-N 3.08Å; V64-D66 PolarHBondContact O-N 3.18Å; V64-K67 PolarHBondContact O-N 2.87Å; V64-K67 VanDerWaalsContact O-N 3.14Å; V64-M68 PolarHBondContact O-N 3.07Å
65L96.8Very high95.8Very high12 Ų1265.1 Ų65.16%0.06332%0.32CS..Hα-helixtrans-63.2-39.9178.2-61.9178.5000112L34 Q60 S61 E62 K67 M68 T84 V87 R88L34-L65 HydrophobicContact CD2-CD2 3.99Å; Q60-L65 HydrophobicContact CB-CD2 4.15Å; Q60-L65 HydrophobicContact CB-CG 4.35Å; S61-L65 PolarHBondContact O-N 2.61Å; S61-L65 VanDerWaalsContact O-N 3.17Å; E62-L65 PolarHBondContact O-N 2.81Å; L65-K67 PolarHBondContact O-N 2.91Å; L65-K67 VanDerWaalsContact O-N 3.1Å; L65-M68 HydrophobicContact CD2-CE 3.85Å; L65-M68 WeakPolarHBondContact O-CB 3.39Å; L65-M68 PolarHBondContact O-N 2.89Å; L65-T84 HydrophobicContact CD1-CG2 4.31Å; L65-T84 HydrophobicContact CD2-CG2 4.48Å; L65-V87 HydrophobicContact CD1-CG1 4.38Å; L65-V87 HydrophobicContact CD2-CG1 3.96Å; L65-R88 HydrophobicContact CD1-CG 3.69Å
66D95.3Very high95.5Very high125 Ų12562 Ų6267%0.66830%0.303SS*.THydrogen-bonded Turntrans-62.8-16.8175.8-69.1-21.6000113.4E62 V64E62-D66 WeakPolarHBondContact O-CB 3.47Å; E62-D66 PolarHBondContact O-N 3Å; V64-D66 PolarHBondContact O-N 3.18Å
67K94.9Very high94.8Very high140 Ų14062.4 Ų62.461%0.60931%0.31SS*.THydrogen-bonded Turntrans-105.69.5178.9-66.3-177.7179.2-167.90113.3K31 K63 V64 L65K31-K67 PolarHBondContact NZ-O 2.95Å; K63-K67 WeakPolarHBondContact O-CG 3.21Å; V64-K67 PolarHBondContact O-N 2.87Å; V64-K67 VanDerWaalsContact O-N 3.14Å; L65-K67 PolarHBondContact O-N 2.91Å; L65-K67 VanDerWaalsContact O-N 3.1Å
68M94.7Very high93.9Very high22 Ų2269.5 Ų69.511%0.10834%0.342CS..  trans-58.5141.1169.4-165.5173.2-4800109.3T24 L34 V64 L65 S72 A73 H76T24-M68 HydrophobicContact CG2-CE 4.15Å; T24-M68 WeakPolarHBondContact O-CA 3.47Å; T24-M68 WeakPolarHBondContact O-CG 3.4Å; L34-M68 HydrophobicContact CD1-CE 3.89Å; V64-M68 PolarHBondContact O-N 3.07Å; L65-M68 HydrophobicContact CD2-CE 3.85Å; L65-M68 WeakPolarHBondContact O-CB 3.39Å; L65-M68 PolarHBondContact O-N 2.89Å; M68-S72 VanDerWaalsContact SD-O 3.36Å; M68-A73 HydrophobicContact CB-CB 4.44Å; M68-A73 HydrophobicContact CG-CB 4.26Å; M68-A73 WeakPolarHBondContact SD-CA 3.4Å; M68-A73 HydrophobicContact SD-CB 4.19Å; M68-A73 PolarHBondContact SD-N 2.9Å; M68-H76 HydrophobicContact SD-CB 4.18Å
69D92.9Very high93.2Very high51 Ų5176.2 Ų76.227%0.27338%0.383SS..  trans-71.7163.3173.66151.1000110.6T24 G25 K31 W71 S72 A73T24-D69 PolarHBondContact O-N 3.3Å; T24-D69 VanDerWaalsContact O-N 3.16Å; G25-D69 WeakPolarHBondContact CA-OD2 3.26Å; K31-D69 VanDerWaalsContact NZ-N 3.11Å; K31-D69 IonicContact NZ-OD2 3.63Å; D69-W71 VanDerWaalsContact C-N 3.26Å; D69-W71 PolarHBondContact O-N 2.76Å; D69-W71 PolarHBondContact OD1-N 3.44Å; D69-S72 PolarHBondContact O-N 2.82Å; D69-S72 WeakPolarHBondContact OD1-CB 3.36Å; D69-S72 PolarHBondContact OD1-N 2.87Å; D69-S72 PolarHBondContact OD1-OG 2.99Å; D69-A73 VanDerWaalsContact O-CB 3.31Å; D69-A73 WeakPolarHBondContact O-CB 3.49Å; D69-A73 PolarHBondContact O-N 3.5Å
70E94.1Very high92.7Very high159 Ų15975.7 Ų75.774%0.74338%0.383SS*.Hα-helixtrans-57.6-40.4-174.5-176176.8-171.100112.3A73 I74E70-A73 PolarHBondContact O-N 3.46Å; E70-I74 HydrophobicContact CG-CD1 4.09Å; E70-I74 VanDerWaalsContact O-CG1 3.31Å; E70-I74 WeakPolarHBondContact O-CG1 3.29Å; E70-I74 PolarHBondContact O-N 2.67Å
71W92.8Very high92.3Very high165 Ų16575.8 Ų75.863%0.62539%0.386SS*.Hα-helixtrans-67.6-47.8-178.6-177.283.8000111.7D69 A73 I74 K75D69-W71 VanDerWaalsContact C-N 3.26Å; D69-W71 PolarHBondContact O-N 2.76Å; D69-W71 PolarHBondContact OD1-N 3.44Å; W71-A73 VanDerWaalsContact C-N 3.34Å; W71-A73 PolarHBondContact O-N 3.09Å; W71-I74 PolarHBondContact O-N 2.67Å; W71-K75 HydrophobicContact CH2-CD 3.58Å; W71-K75 HydrophobicContact CZ2-CD 4.2Å; W71-K75 HydrophobicContact CZ3-CD 3.78Å; W71-K75 WeakPolarHBondContact O-CB 3.35Å; W71-K75 PolarHBondContact O-N 2.85Å
72S92.8Very high92.1Very high4 Ų474 Ų743%0.02838%0.377CS..Hα-helixtrans-63.8-38.5175.3-750000111.6M23 G25 M68 D69 I74 K75 H76M23-S72 PolarHBondContact O-OG 3.07Å; G25-S72 PolarHBondContact N-OG 3.36Å; M68-S72 VanDerWaalsContact SD-O 3.36Å; D69-S72 PolarHBondContact O-N 2.82Å; D69-S72 WeakPolarHBondContact OD1-CB 3.36Å; D69-S72 PolarHBondContact OD1-N 2.87Å; D69-S72 PolarHBondContact OD1-OG 2.99Å; S72-I74 VanDerWaalsContact C-N 3.33Å; S72-I74 PolarHBondContact O-N 2.83Å; S72-K75 PolarHBondContact O-N 2.71Å; S72-H76 VanDerWaalsContact O-CB 3.25Å; S72-H76 WeakPolarHBondContact O-CB 3.44Å; S72-H76 PolarHBondContact O-CD2 3.13Å; S72-H76 VanDerWaalsContact O-CD2 3.25Å; S72-H76 VanDerWaalsContact O-CG 3.25Å; S72-H76 PolarHBondContact O-N 2.96Å
73A92.9Very high92.1Very high46 Ų4669.9 Ų69.938%0.3836%0.357SS..Hα-helixtrans-64.4-38.4178.900000112M68 D69 E70 W71 G77M68-A73 HydrophobicContact CB-CB 4.44Å; M68-A73 HydrophobicContact CG-CB 4.26Å; M68-A73 WeakPolarHBondContact SD-CA 3.4Å; M68-A73 HydrophobicContact SD-CB 4.19Å; M68-A73 PolarHBondContact SD-N 2.9Å; D69-A73 VanDerWaalsContact O-CB 3.31Å; D69-A73 WeakPolarHBondContact O-CB 3.49Å; D69-A73 PolarHBondContact O-N 3.5Å; E70-A73 PolarHBondContact O-N 3.46Å; W71-A73 VanDerWaalsContact C-N 3.34Å; W71-A73 PolarHBondContact O-N 3.09Å; A73-G77 PolarHBondContact O-N 3.41Å; A73-G77 VanDerWaalsContact O-N 3.1Å
74I92.3Very high92Very high99 Ų9963.8 Ų63.851%0.50833%0.332SS..Hα-helixtrans-68.3-51.8172.2-67.6166.7000109.8E70 W71 S72 H76 G77 N80E70-I74 HydrophobicContact CG-CD1 4.09Å; E70-I74 VanDerWaalsContact O-CG1 3.31Å; E70-I74 WeakPolarHBondContact O-CG1 3.29Å; E70-I74 PolarHBondContact O-N 2.67Å; W71-I74 PolarHBondContact O-N 2.67Å; S72-I74 VanDerWaalsContact C-N 3.33Å; S72-I74 PolarHBondContact O-N 2.83Å; I74-H76 VanDerWaalsContact C-N 3.27Å; I74-H76 PolarHBondContact O-N 3.46Å; I74-G77 PolarHBondContact O-N 2.84Å; I74-N80 WeakPolarHBondContact CG2-ND2 3.41Å; I74-N80 PolarHBondContact O-ND2 3.39Å
75K91.5Very high92Very high22 Ų2266.9 Ų66.910%0.09635%0.345CS..Hα-helixtrans-53.2-45.6-179.3-177.6-179.2175.2-172.90111.6E22 W71 S72 N80 S81 F164 D169E22-K75 WeakPolarHBondContact OE1-CE 3.16Å; E22-K75 IonicContact OE1-NZ 2.76Å; E22-K75 PolarHBondContact OE1-NZ 3.08Å; E22-K75 WeakPolarHBondContact OE2-CE 3.39Å; E22-K75 IonicContact OE2-NZ 3.2Å; E22-K75 PolarHBondContact OE2-NZ 2.78Å; W71-K75 HydrophobicContact CH2-CD 3.58Å; W71-K75 HydrophobicContact CZ2-CD 4.2Å; W71-K75 HydrophobicContact CZ3-CD 3.78Å; W71-K75 WeakPolarHBondContact O-CB 3.35Å; W71-K75 PolarHBondContact O-N 2.85Å; S72-K75 PolarHBondContact O-N 2.71Å; K75-N80 WeakPolarHBondContact O-CB 3.18Å; K75-S81 WeakPolarHBondContact O-CB 3.47Å; K75-S81 PolarHBondContact O-N 2.84Å; K75-S81 PolarHBondContact O-OG 3.06Å; K75-F164 HydrophobicContact CD-CD1 4.16Å; K75-F164 HydrophobicContact CG-CB 3.99Å; K75-F164 HydrophobicContact CG-CD1 3.65Å; K75-F164 HydrophobicContact CG-CE1 4.34Å; K75-F164 HydrophobicContact CG-CG 4.03Å; K75-D169 IonicContact NZ-OD2 2.81Å
76H92Very high92Very high1 Ų169.7 Ų69.71%0.00536%0.358CS..THydrogen-bonded Turntrans-90.9-3.1-173.7-58.2-31.4000114.3E22 M23 L34 M68 S72 I74 S81 L83 T84E22-H76 IonicContact OE2-CE1 2.7Å; E22-H76 PolarHBondContact OE2-CE1 2.78Å; E22-H76 IonicContact OE2-NE2 3.67Å; M23-H76 PolarHBondContact O-NE2 3.29Å; L34-H76 VanDerWaalsContact CD1-CD2 3.47Å; L34-H76 WeakPolarHBondContact CD1-CD2 3.47Å; M68-H76 HydrophobicContact SD-CB 4.18Å; S72-H76 VanDerWaalsContact O-CB 3.25Å; S72-H76 WeakPolarHBondContact O-CB 3.44Å; S72-H76 PolarHBondContact O-CD2 3.13Å; S72-H76 VanDerWaalsContact O-CD2 3.25Å; S72-H76 VanDerWaalsContact O-CG 3.25Å; S72-H76 PolarHBondContact O-N 2.96Å; I74-H76 VanDerWaalsContact C-N 3.27Å; I74-H76 PolarHBondContact O-N 3.46Å; H76-S81 WeakPolarHBondContact CA-OG 3.16Å; H76-L83 HydrophobicContact CB-CB 4.28Å; H76-L83 PolarHBondContact O-N 3.22Å; H76-T84 VanDerWaalsContact C-OG1 3.29Å; H76-T84 VanDerWaalsContact CB-OG1 3.3Å; H76-T84 WeakPolarHBondContact CB-OG1 3.38Å; H76-T84 WeakPolarHBondContact O-CB 3.38Å; H76-T84 PolarHBondContact O-N 3.08Å; H76-T84 PolarHBondContact O-OG1 2.96Å
77G84.8Confident92.2Very high20 Ų2063.8 Ų63.821%0.20633%0.327CS..SBendtrans-69.3165.3179.600000112.8A73 I74 V79 N80 S81 G82A73-G77 PolarHBondContact O-N 3.41Å; A73-G77 VanDerWaalsContact O-N 3.1Å; I74-G77 PolarHBondContact O-N 2.84Å; G77-V79 VanDerWaalsContact C-N 3.27Å; G77-V79 PolarHBondContact O-N 3.28Å; G77-N80 PolarHBondContact O-N 2.97Å; G77-S81 PolarHBondContact O-N 2.71Å; G77-G82 PolarHBondContact O-N 3.42Å
78E79.8Confident92.3Very high185 Ų18561.7 Ų61.786%0.86432%0.315SS*.THydrogen-bonded Turntrans-55.7-36.8-176.6-173.3177.3-172.800113.8N80E78-N80 VanDerWaalsContact C-N 3.27Å; E78-N80 PolarHBondContact O-N 3.05Å
79V83.3Confident92.4Very high141 Ų14166.4 Ų66.486%0.85534%0.335SS*.THydrogen-bonded Turntrans-69.3-26.1-179179.50000112.5G77G77-V79 VanDerWaalsContact C-N 3.27Å; G77-V79 PolarHBondContact O-N 3.28Å
80N87.8Confident92.7Very high71 Ų7165 Ų6538%0.3833%0.329SS..THydrogen-bonded Turntrans-104.7-94.6-177.3-70.9-49.4000109.9I74 K75 G77 E78 F164I74-N80 WeakPolarHBondContact CG2-ND2 3.41Å; I74-N80 PolarHBondContact O-ND2 3.39Å; K75-N80 WeakPolarHBondContact O-CB 3.18Å; G77-N80 PolarHBondContact O-N 2.97Å; E78-N80 VanDerWaalsContact C-N 3.27Å; E78-N80 PolarHBondContact O-N 3.05Å; N80-F164 HydrophobicContact CB-CD2 3.77Å; N80-F164 HydrophobicContact CB-CE2 3.87Å
81S89.8Confident92.9Very high20 Ų2063.6 Ų63.614%0.1433%0.332CS..THydrogen-bonded Turntrans-91.8-18.9-173.587.90000115K75 H76 G77 L83 F164 R165K75-S81 WeakPolarHBondContact O-CB 3.47Å; K75-S81 PolarHBondContact O-N 2.84Å; K75-S81 PolarHBondContact O-OG 3.06Å; H76-S81 WeakPolarHBondContact CA-OG 3.16Å; G77-S81 PolarHBondContact O-N 2.71Å; S81-L83 PolarHBondContact O-N 3.45Å; S81-L83 VanDerWaalsContact O-N 3.09Å; S81-L83 WeakPolarHBondContact OG-CB 3.45Å; S81-L83 PolarHBondContact OG-N 3Å; S81-F164 VanDerWaalsContact CB-CB 3.45Å; S81-F164 WeakPolarHBondContact CB-O 3.34Å; S81-R165 PolarHBondContact O-NH1 2.64Å
82G93.8Very high93.2Very high20 Ų2056.9 Ų56.921%0.20631%0.308CS..  trans637.1-170.800000114.7G77 T84 E85 E86G77-G82 PolarHBondContact O-N 3.42Å; G82-T84 VanDerWaalsContact C-N 3.3Å; G82-T84 PolarHBondContact O-N 3.13Å; G82-E85 PolarHBondContact O-N 3.48Å; G82-E86 PolarHBondContact O-N 2.67Å
83L96.8Very high93.4Very high0 Ų059.9 Ų59.90%033%0.326CS..Hα-helixtrans-60.9-36.7-174.3176.360.8000112.7E22 L34 E35 I57 H76 S81 E85 E86 V87E22-L83 HydrophobicContact CB-CD2 3.51Å; E22-L83 HydrophobicContact CG-CD2 3.92Å; L34-L83 HydrophobicContact CB-CD2 4.04Å; L34-L83 HydrophobicContact CD1-CD2 4.48Å; E35-L83 HydrophobicContact CB-CD1 3.95Å; E35-L83 HydrophobicContact CB-CD2 4Å; E35-L83 HydrophobicContact CG-CD1 4.37Å; I57-L83 HydrophobicContact CG1-CD1 4.47Å; I57-L83 HydrophobicContact CG2-CD1 4.1Å; H76-L83 HydrophobicContact CB-CB 4.28Å; H76-L83 PolarHBondContact O-N 3.22Å; S81-L83 PolarHBondContact O-N 3.45Å; S81-L83 VanDerWaalsContact O-N 3.09Å; S81-L83 WeakPolarHBondContact OG-CB 3.45Å; S81-L83 PolarHBondContact OG-N 3Å; L83-E85 PolarHBondContact O-N 3.41Å; L83-E86 PolarHBondContact O-N 3.23Å; L83-E86 VanDerWaalsContact O-N 3.13Å; L83-V87 HydrophobicContact CD1-CG2 3.94Å; L83-V87 HydrophobicContact CG-CG2 4.07Å; L83-V87 WeakPolarHBondContact O-CG2 3.33Å; L83-V87 PolarHBondContact O-N 2.87Å
84T96.7Very high93.7Very high18 Ų1859 Ų5911%0.1132%0.316CS..Hα-helixtrans-56-40.2-179-56.20000111.7L65 H76 G82 V87 R88L65-T84 HydrophobicContact CD1-CG2 4.31Å; L65-T84 HydrophobicContact CD2-CG2 4.48Å; H76-T84 VanDerWaalsContact C-OG1 3.29Å; H76-T84 VanDerWaalsContact CB-OG1 3.3Å; H76-T84 WeakPolarHBondContact CB-OG1 3.38Å; H76-T84 WeakPolarHBondContact O-CB 3.38Å; H76-T84 PolarHBondContact O-N 3.08Å; H76-T84 PolarHBondContact O-OG1 2.96Å; G82-T84 VanDerWaalsContact C-N 3.3Å; G82-T84 PolarHBondContact O-N 3.13Å; T84-V87 PolarHBondContact O-N 3.33Å; T84-R88 PolarHBondContact O-N 3.29Å
85E96.5Very high94Very high83 Ų8359.8 Ų59.839%0.38832%0.321SS..Hα-helixtrans-75-35.3-178.7-173.952.6-150.700112.1G82 L83 V87 R88 K89G82-E85 PolarHBondContact O-N 3.48Å; L83-E85 PolarHBondContact O-N 3.41Å; E85-V87 VanDerWaalsContact C-N 3.32Å; E85-V87 PolarHBondContact O-N 3.07Å; E85-R88 WeakPolarHBondContact O-CB 3.06Å; E85-R88 PolarHBondContact O-N 2.87Å; E85-R88 IonicContact OE2-CZ 2.64Å; E85-R88 IonicContact OE2-NH1 3.45Å; E85-R88 PolarHBondContact OE2-NH1 3.2Å; E85-K89 WeakPolarHBondContact O-CG 3.44Å; E85-K89 PolarHBondContact O-N 3.47Å; E85-K89 VanDerWaalsContact O-N 3.16Å; E85-K89 WeakPolarHBondContact OE1-CE 3.47Å
86E97.6Very high94.3Very high72 Ų7263.3 Ų63.334%0.33634%0.338SS..Hα-helixtrans-68.6-32.7173.8-62.4-57.9111.900112.2I57 G82 L83 R88 K89 S90I57-E86 HydrophobicContact CD1-CB 3.63Å; I57-E86 HydrophobicContact CD1-CG 4.29Å; I57-E86 HydrophobicContact CG2-CB 4.18Å; G82-E86 PolarHBondContact O-N 2.67Å; L83-E86 PolarHBondContact O-N 3.23Å; L83-E86 VanDerWaalsContact O-N 3.13Å; E86-R88 VanDerWaalsContact C-N 3.34Å; E86-K89 PolarHBondContact O-N 2.73Å; E86-K89 IonicContact OE1-NZ 3.88Å; E86-K89 PolarHBondContact OE1-NZ 3.13Å; E86-S90 WeakPolarHBondContact O-CB 3.35Å; E86-S90 PolarHBondContact O-N 3.5Å
87V98Very high94.7Very high0 Ų063.2 Ų63.20%034%0.338CS..Hα-helixtrans-63.2-39.7172.21680000111.4L34 I57 I58 H59 Q60 L65 L83 T84 E85 K89 S90L34-V87 HydrophobicContact CB-CG2 3.95Å; L34-V87 HydrophobicContact CD2-CG1 4.01Å; L34-V87 HydrophobicContact CD2-CG2 4.01Å; I57-V87 HydrophobicContact CG2-CB 4.42Å; I57-V87 HydrophobicContact CG2-CG2 3.77Å; I58-V87 WeakPolarHBondContact O-CG1 3.25Å; H59-V87 PolarHBondContact ND1-O 2.98Å; Q60-V87 HydrophobicContact CB-CG1 3.84Å; Q60-V87 HydrophobicContact CG-CG1 4.18Å; L65-V87 HydrophobicContact CD1-CG1 4.38Å; L65-V87 HydrophobicContact CD2-CG1 3.96Å; L83-V87 HydrophobicContact CD1-CG2 3.94Å; L83-V87 HydrophobicContact CG-CG2 4.07Å; L83-V87 WeakPolarHBondContact O-CG2 3.33Å; L83-V87 PolarHBondContact O-N 2.87Å; T84-V87 PolarHBondContact O-N 3.33Å; E85-V87 VanDerWaalsContact C-N 3.32Å; E85-V87 PolarHBondContact O-N 3.07Å; V87-K89 VanDerWaalsContact C-N 3.34Å; V87-K89 PolarHBondContact O-N 2.92Å; V87-S90 PolarHBondContact O-N 3.24Å
88R97.3Very high95.3Very high96 Ų9662.7 Ų62.736%0.36233%0.33SS..Hα-helixtrans-63.6-39.2175.1-69.2-171-175.6100.76.9112.5E62 L65 T84 E85 E86E62-R88 WeakPolarHBondContact OE1-CD 3.46Å; E62-R88 WeakPolarHBondContact OE1-CG 3.34Å; E62-R88 IonicContact OE1-NE 2.86Å; E62-R88 PolarHBondContact OE1-NE 3.47Å; E62-R88 IonicContact OE2-CZ 2.97Å; E62-R88 IonicContact OE2-NE 2.65Å; E62-R88 PolarHBondContact OE2-NE 2.86Å; E62-R88 IonicContact OE2-NH2 3.98Å; L65-R88 HydrophobicContact CD1-CG 3.69Å; T84-R88 PolarHBondContact O-N 3.29Å; E85-R88 WeakPolarHBondContact O-CB 3.06Å; E85-R88 PolarHBondContact O-N 2.87Å; E85-R88 IonicContact OE2-CZ 2.64Å; E85-R88 IonicContact OE2-NH1 3.45Å; E85-R88 PolarHBondContact OE2-NH1 3.2Å; E86-R88 VanDerWaalsContact C-N 3.34Å
89K97.7Very high96.2Very high122 Ų12257.2 Ų57.253%0.5330%0.304SS..Hα-helixtrans-77.6-24.9179.4-65.2171.2-165.6158.20113.3E85 E86 V87E85-K89 WeakPolarHBondContact O-CG 3.44Å; E85-K89 PolarHBondContact O-N 3.47Å; E85-K89 VanDerWaalsContact O-N 3.16Å; E85-K89 WeakPolarHBondContact OE1-CE 3.47Å; E86-K89 PolarHBondContact O-N 2.73Å; E86-K89 IonicContact OE1-NZ 3.88Å; E86-K89 PolarHBondContact OE1-NZ 3.13Å; V87-K89 VanDerWaalsContact C-N 3.34Å; V87-K89 PolarHBondContact O-N 2.92Å
90S98.2Very high97Very high22 Ų2255 Ų5515%0.15428%0.284CS..  trans-63.3146.1179.4-176.60000111I57 H59 E86 V87 L92I57-S90 WeakPolarHBondContact O-CB 3.43Å; I57-S90 PolarHBondContact O-OG 2.94Å; H59-S90 VanDerWaalsContact CB-O 3.31Å; H59-S90 WeakPolarHBondContact CB-O 3.39Å; H59-S90 VanDerWaalsContact CG-O 3.3Å; H59-S90 PolarHBondContact ND1-O 3.2Å; E86-S90 WeakPolarHBondContact O-CB 3.35Å; E86-S90 PolarHBondContact O-N 3.5Å; V87-S90 PolarHBondContact O-N 3.24Å; S90-L92 PolarHBondContact OG-N 2.94Å; S90-L92 VanDerWaalsContact OG-N 3.09Å
91T98.2Very high97.5Very high129 Ų12951.6 Ų51.679%0.79127%0.266SS*.  trans-113.1-0.4170.161.80000112.1T93T91-T93 PolarHBondContact O-N 3.19Å
92L98.6Very high97.9Very high24 Ų2450.9 Ų50.913%0.12626%0.261CS..  trans-75.5124.5-173.5-171.969000110.2L56 I57 H59 S90 E96 A97 Q100L56-L92 HydrophobicContact CB-CD2 3.85Å; L56-L92 HydrophobicContact CD2-CD2 3.95Å; L56-L92 HydrophobicContact CG-CD2 4.32Å; I57-L92 WeakPolarHBondContact O-CB 3.29Å; H59-L92 PolarHBondContact N-O 3.12Å; S90-L92 PolarHBondContact OG-N 2.94Å; S90-L92 VanDerWaalsContact OG-N 3.09Å; L92-E96 HydrophobicContact CD1-CB 3.45Å; L92-E96 VanDerWaalsContact CD1-CB 3.45Å; L92-E96 HydrophobicContact CG-CB 4.33Å; L92-A97 HydrophobicContact CD2-CB 3.75Å; L92-A97 HydrophobicContact CG-CB 4.11Å; L92-Q100 VanDerWaalsContact CD1-NE2 3.3Å
93T98.6Very high98.1Very high67 Ų6754.1 Ų54.141%0.41127%0.271SS..  trans-80.3162.5173.663.40000111.5T91 D95 E96 A97T91-T93 PolarHBondContact O-N 3.19Å; T93-D95 VanDerWaalsContact C-N 3.28Å; T93-D95 PolarHBondContact O-N 2.57Å; T93-E96 WeakPolarHBondContact CB-OE2 3.3Å; T93-E96 PolarHBondContact N-OE2 3.48Å; T93-E96 PolarHBondContact O-N 3.22Å; T93-E96 WeakPolarHBondContact OG1-CB 3.41Å; T93-E96 VanDerWaalsContact OG1-CD 3.25Å; T93-E96 WeakPolarHBondContact OG1-CG 3.32Å; T93-E96 PolarHBondContact OG1-N 3.05Å; T93-E96 PolarHBondContact OG1-OE2 2.94Å; T93-A97 WeakPolarHBondContact O-CB 3.49Å; T93-A97 PolarHBondContact O-N 3.14Å
94V98.5Very high98.2Very high28 Ų2855.9 Ų55.917%0.1728%0.278CS..Hα-helixtrans-57.8-42.1174.6173.60000111.3I58 A97 E98 Y131I58-V94 HydrophobicContact CG2-CG2 3.76Å; V94-A97 PolarHBondContact O-N 3.21Å; V94-E98 PolarHBondContact O-N 2.92Å; V94-Y131 HydrophobicContact CG1-CD1 4.1Å; V94-Y131 HydrophobicContact CG1-CG 4.46Å; V94-Y131 WeakPolarHBondContact CG1-O 3.42Å; V94-Y131 HydrophobicContact CG2-CD1 4.27Å
95D98.6Very high98.3Very high115 Ų11555 Ų5562%0.61527%0.273SS*.Hα-helixtrans-67.5-41.1-177.5-65.9-14.2000111.9T93 A97 E98 E99T93-D95 VanDerWaalsContact C-N 3.28Å; T93-D95 PolarHBondContact O-N 2.57Å; D95-A97 VanDerWaalsContact C-N 3.34Å; D95-E98 PolarHBondContact O-N 2.95Å; D95-E99 WeakPolarHBondContact O-CB 3.35Å; D95-E99 PolarHBondContact O-N 2.97Å
96E98.7Very high98.4Very high95 Ų9555.6 Ų55.644%0.44427%0.274SS..Hα-helixtrans-66.6-37.3174.3-69.8165.2140.800111.6L92 T93 E99 Q100L92-E96 HydrophobicContact CD1-CB 3.45Å; L92-E96 VanDerWaalsContact CD1-CB 3.45Å; L92-E96 HydrophobicContact CG-CB 4.33Å; T93-E96 WeakPolarHBondContact CB-OE2 3.3Å; T93-E96 PolarHBondContact N-OE2 3.48Å; T93-E96 PolarHBondContact O-N 3.22Å; T93-E96 WeakPolarHBondContact OG1-CB 3.41Å; T93-E96 VanDerWaalsContact OG1-CD 3.25Å; T93-E96 WeakPolarHBondContact OG1-CG 3.32Å; T93-E96 PolarHBondContact OG1-N 3.05Å; T93-E96 PolarHBondContact OG1-OE2 2.94Å; E96-E99 PolarHBondContact O-N 2.85Å; E96-Q100 WeakPolarHBondContact O-CG 2.85Å; E96-Q100 PolarHBondContact O-N 3.45Å
97A98.8Very high98.4Very high0 Ų056.3 Ų56.30%029%0.286CS..Hα-helixtrans-66.1-43.5175.400000111.7L56 I58 L92 T93 V94 D95 E99 Q100 L101 M132L56-A97 HydrophobicContact CD1-CB 4.06Å; L56-A97 WeakPolarHBondContact CD1-O 3.17Å; I58-A97 HydrophobicContact CD1-CB 3.77Å; I58-A97 HydrophobicContact CG1-CB 3.74Å; L92-A97 HydrophobicContact CD2-CB 3.75Å; L92-A97 HydrophobicContact CG-CB 4.11Å; T93-A97 WeakPolarHBondContact O-CB 3.49Å; T93-A97 PolarHBondContact O-N 3.14Å; V94-A97 PolarHBondContact O-N 3.21Å; D95-A97 VanDerWaalsContact C-N 3.34Å; A97-E99 VanDerWaalsContact C-N 3.34Å; A97-E99 PolarHBondContact O-N 3.49Å; A97-Q100 PolarHBondContact O-N 3.45Å; A97-L101 VanDerWaalsContact O-CB 3.3Å; A97-L101 WeakPolarHBondContact O-CB 3.33Å; A97-L101 PolarHBondContact O-N 3.38Å; A97-M132 HydrophobicContact CB-CE 3.76Å
98E98.8Very high98.4Very high8 Ų858.5 Ų58.54%0.03730%0.296CS..Hα-helixtrans-58.5-47.4174-175.8-174.8-145.400110.5V94 D95 Q100 L101 L102 M132 P133 R134 L135V94-E98 PolarHBondContact O-N 2.92Å; D95-E98 PolarHBondContact O-N 2.95Å; E98-Q100 PolarHBondContact O-N 2.83Å; E98-L101 PolarHBondContact O-N 2.99Å; E98-L102 WeakPolarHBondContact O-CB 3.42Å; E98-L102 PolarHBondContact O-N 2.93Å; E98-M132 HydrophobicContact CB-CB 4.26Å; E98-M132 HydrophobicContact CB-CG 3.9Å; E98-M132 HydrophobicContact CB-SD 4.38Å; E98-M132 HydrophobicContact CG-CB 3.85Å; E98-M132 HydrophobicContact CG-CG 4.07Å; E98-M132 WeakPolarHBondContact OE1-CA 3.24Å; E98-P133 WeakPolarHBondContact OE1-CD 3.33Å; E98-P133 VanDerWaalsContact OE1-N 3.09Å; E98-R134 WeakPolarHBondContact OE1-CA 3.38Å; E98-R134 VanDerWaalsContact OE1-CB 3.29Å; E98-R134 WeakPolarHBondContact OE1-CB 3.36Å; E98-R134 PolarHBondContact OE1-N 3.15Å; E98-R134 IonicContact OE1-NE 3.83Å; E98-R134 IonicContact OE2-CZ 3.76Å; E98-R134 IonicContact OE2-NE 3.43Å; E98-R134 PolarHBondContact OE2-NE 2.94Å; E98-R134 IonicContact OE2-NH2 3.82Å; E98-R134 PolarHBondContact OE2-NH2 3.46Å; E98-L135 HydrophobicContact CG-CB 4.48Å
99E98.7Very high98.4Very high70 Ų7054 Ų5433%0.32728%0.28SS..Hα-helixtrans-61.1-48-178.8-17459.7-147.800111.4D95 E96 A97 L101 L102 Q103 R134D95-E99 WeakPolarHBondContact O-CB 3.35Å; D95-E99 PolarHBondContact O-N 2.97Å; E96-E99 PolarHBondContact O-N 2.85Å; A97-E99 VanDerWaalsContact C-N 3.34Å; A97-E99 PolarHBondContact O-N 3.49Å; E99-L101 PolarHBondContact O-N 2.64Å; E99-L102 PolarHBondContact O-N 2.65Å; E99-Q103 WeakPolarHBondContact O-CB 3.35Å; E99-Q103 VanDerWaalsContact O-CG 3.24Å; E99-Q103 WeakPolarHBondContact O-CG 3.44Å; E99-Q103 PolarHBondContact O-N 2.86Å; E99-Q103 WeakPolarHBondContact OE1-CG 3.3Å; E99-Q103 PolarHBondContact OE1-NE2 2.81Å; E99-R134 IonicContact OE2-CZ 3.23Å; E99-R134 IonicContact OE2-NH1 2.94Å; E99-R134 PolarHBondContact OE2-NH1 3.03Å; E99-R134 IonicContact OE2-NH2 2.7Å; E99-R134 PolarHBondContact OE2-NH2 3.5Å
100Q98.7Very high98.4Very high94 Ų9449.7 Ų49.744%0.43926%0.264SS..Hα-helixtrans-60.6-45.5178.3-73.1-179.350.500112.1L56 L92 E96 A97 E98 F104L56-Q100 HydrophobicContact CD1-CB 4.04Å; L92-Q100 VanDerWaalsContact CD1-NE2 3.3Å; E96-Q100 WeakPolarHBondContact O-CG 2.85Å; E96-Q100 PolarHBondContact O-N 3.45Å; A97-Q100 PolarHBondContact O-N 3.45Å; E98-Q100 PolarHBondContact O-N 2.83Å; Q100-F104 WeakPolarHBondContact O-CB 3.49Å; Q100-F104 PolarHBondContact O-N 3.05Å
101L98.6Very high98.4Very high1 Ų154.9 Ų54.91%0.00529%0.286CS..Hα-helixtrans-69.3-40.7-179.2-178.454000112I19 V36 C38 P54 L56 A97 E98 E99 F104 V105 M132 L135I19-L101 HydrophobicContact CD1-CD2 4.4Å; V36-L101 HydrophobicContact CG1-CD2 4.1Å; V36-L101 HydrophobicContact CG2-CD2 3.57Å; C38-L101 HydrophobicContact CB-CD1 3.32Å; P54-L101 HydrophobicContact CG-CB 4.49Å; P54-L101 HydrophobicContact CG-CD1 4.15Å; L56-L101 HydrophobicContact CD1-CB 4.23Å; A97-L101 VanDerWaalsContact O-CB 3.3Å; A97-L101 WeakPolarHBondContact O-CB 3.33Å; A97-L101 PolarHBondContact O-N 3.38Å; E98-L101 PolarHBondContact O-N 2.99Å; E99-L101 PolarHBondContact O-N 2.64Å; L101-F104 PolarHBondContact O-N 3.44Å; L101-V105 HydrophobicContact CD1-CG2 4.34Å; L101-V105 WeakPolarHBondContact O-CG2 2.77Å; L101-V105 PolarHBondContact O-N 2.9Å; L101-M132 HydrophobicContact CD2-SD 4.09Å; L101-L135 HydrophobicContact CB-CD2 4.48Å; L101-L135 HydrophobicContact CD2-CD2 3.37Å; L101-L135 HydrophobicContact CG-CD1 4.28Å; L101-L135 HydrophobicContact CG-CD2 3.64Å
102L98.7Very high98.4Very high5 Ų554.3 Ų54.33%0.02627%0.274CS..Hα-helixtrans-62.9-44.9175.9177.857.6000111.7E98 E99 F104 V105 K106 R134 L135 H138E98-L102 WeakPolarHBondContact O-CB 3.42Å; E98-L102 PolarHBondContact O-N 2.93Å; E99-L102 PolarHBondContact O-N 2.65Å; L102-F104 VanDerWaalsContact C-N 3.34Å; L102-V105 PolarHBondContact O-N 2.73Å; L102-K106 HydrophobicContact CD1-CD 4.11Å; L102-K106 HydrophobicContact CD1-CG 4.17Å; L102-K106 HydrophobicContact CG-CD 4.09Å; L102-K106 WeakPolarHBondContact O-CB 3.48Å; L102-K106 WeakPolarHBondContact O-CG 3.19Å; L102-K106 PolarHBondContact O-N 2.79Å; L102-R134 HydrophobicContact CD2-CB 3.86Å; L102-L135 HydrophobicContact CD1-CD1 4.4Å; L102-H138 HydrophobicContact CD1-CB 3.94Å
103Q98.6Very high98.3Very high88 Ų8855.4 Ų55.441%0.41128%0.282SS..Hα-helixtrans-62.3-44.2176.8-69.4-59.1-21.200111.2E99 V105 K106 C107E99-Q103 WeakPolarHBondContact O-CB 3.35Å; E99-Q103 VanDerWaalsContact O-CG 3.24Å; E99-Q103 WeakPolarHBondContact O-CG 3.44Å; E99-Q103 PolarHBondContact O-N 2.86Å; E99-Q103 WeakPolarHBondContact OE1-CG 3.3Å; E99-Q103 PolarHBondContact OE1-NE2 2.81Å; Q103-V105 PolarHBondContact O-N 3.48Å; Q103-K106 PolarHBondContact O-N 2.98Å; Q103-C107 PolarHBondContact O-N 2.76Å; Q103-C107 VanDerWaalsContact O-N 3.1Å; Q103-C107 PolarHBondContact O-SG 3.06Å
104F98.7Very high98.3Very high37 Ų3752.2 Ų52.216%0.16226%0.262CS..Hα-helixtrans-56.9-49.5174.5175.6-94.9000112C38 I40 A51 G53 Q100 L101 L102 K106 C107 H108C38-F104 HydrophobicContact CB-CD1 4.38Å; C38-F104 HydrophobicContact CB-CE1 4.27Å; I40-F104 HydrophobicContact CD1-CE1 4.02Å; I40-F104 HydrophobicContact CG1-CE1 3.56Å; I40-F104 HydrophobicContact CG1-CZ 3.98Å; A51-F104 HydrophobicContact CB-CE2 3.81Å; A51-F104 HydrophobicContact CB-CZ 3.49Å; A51-F104 VanDerWaalsContact CB-CZ 3.49Å; G53-F104 WeakPolarHBondContact O-CD1 3.24Å; G53-F104 WeakPolarHBondContact O-CE1 3.12Å; G53-F104 WeakPolarHBondContact O-CE2 3.4Å; G53-F104 WeakPolarHBondContact O-CZ 3.23Å; Q100-F104 WeakPolarHBondContact O-CB 3.49Å; Q100-F104 PolarHBondContact O-N 3.05Å; L101-F104 PolarHBondContact O-N 3.44Å; L102-F104 VanDerWaalsContact C-N 3.34Å; F104-K106 PolarHBondContact O-N 2.83Å; F104-C107 PolarHBondContact O-N 2.81Å; F104-H108 AromaticContact CE2-CD2 3.97Å; F104-H108 AromaticContact CE2-NE2 3.84Å; F104-H108 AromaticContact CZ-CD2 3.99Å; F104-H108 PolarHBondContact O-CD2 3.31Å
105V98.6Very high98.3Very high0 Ų052 Ų520%026%0.262CS..Hα-helixtrans-62.7-43.7178.7172.40000111.3V17 I40 L101 L102 Q103 C107 H108 V109 L135 L139V17-V105 HydrophobicContact CG1-CG2 4.07Å; V17-V105 HydrophobicContact CG2-CG1 4.43Å; I40-V105 HydrophobicContact CD1-CG2 4.44Å; L101-V105 HydrophobicContact CD1-CG2 4.34Å; L101-V105 WeakPolarHBondContact O-CG2 2.77Å; L101-V105 PolarHBondContact O-N 2.9Å; L102-V105 PolarHBondContact O-N 2.73Å; Q103-V105 PolarHBondContact O-N 3.48Å; V105-C107 VanDerWaalsContact C-N 3.27Å; V105-C107 PolarHBondContact O-N 3.29Å; V105-H108 PolarHBondContact O-N 3.19Å; V105-V109 HydrophobicContact CG1-CB 4.02Å; V105-V109 HydrophobicContact CG1-CG1 4.36Å; V105-V109 WeakPolarHBondContact O-CB 3.13Å; V105-V109 PolarHBondContact O-N 3.43Å; V105-L135 HydrophobicContact CB-CD1 4.18Å; V105-L135 HydrophobicContact CG2-CD1 3.88Å; V105-L139 HydrophobicContact CG1-CD2 4.19Å
106K98.1Very high98.3Very high94 Ų9446.5 Ų46.541%0.40923%0.232SC..Hα-helixtrans-59.1-33.8178.3-82176.7173.8175.90113.7L102 Q103 F104 H108 H138L102-K106 HydrophobicContact CD1-CD 4.11Å; L102-K106 HydrophobicContact CD1-CG 4.17Å; L102-K106 HydrophobicContact CG-CD 4.09Å; L102-K106 WeakPolarHBondContact O-CB 3.48Å; L102-K106 WeakPolarHBondContact O-CG 3.19Å; L102-K106 PolarHBondContact O-N 2.79Å; Q103-K106 PolarHBondContact O-N 2.98Å; F104-K106 PolarHBondContact O-N 2.83Å; K106-H108 PolarHBondContact O-N 2.8Å; K106-H138 VanDerWaalsContact CG-CE1 3.47Å; K106-H138 WeakPolarHBondContact CG-CE1 3.45Å
107C97.9Very high98.3Very high87 Ų8742 Ų4259%0.58821%0.211SC*.Hα-helixtrans-63.5-25.9176-71.10000112.9Q103 F104 V105Q103-C107 PolarHBondContact O-N 2.76Å; Q103-C107 VanDerWaalsContact O-N 3.1Å; Q103-C107 PolarHBondContact O-SG 3.06Å; F104-C107 PolarHBondContact O-N 2.81Å; V105-C107 VanDerWaalsContact C-N 3.27Å; V105-C107 PolarHBondContact O-N 3.29Å
108H98.3Very high98.2Very high47 Ų4742 Ų4222%0.21821%0.212CC..Hα-helixtrans-117.5-20.3-170.9-60.3-64000114.5R15 I40 A51 F104 V105 K106R15-H108 WeakPolarHBondContact CD-O 3.17Å; R15-H108 PolarHBondContact NH1-O 3.21Å; I40-H108 HydrophobicContact CB-CB 4.39Å; I40-H108 HydrophobicContact CG1-CB 3.98Å; I40-H108 HydrophobicContact CG2-CB 4.05Å; A51-H108 VanDerWaalsContact CB-NE2 3.33Å; A51-H108 WeakPolarHBondContact CB-NE2 3.29Å; F104-H108 AromaticContact CE2-CD2 3.97Å; F104-H108 AromaticContact CE2-NE2 3.84Å; F104-H108 AromaticContact CZ-CD2 3.99Å; F104-H108 PolarHBondContact O-CD2 3.31Å; V105-H108 PolarHBondContact O-N 3.19Å; K106-H108 PolarHBondContact O-N 2.8Å
109V97.7Very high98Very high1 Ų143.4 Ų43.41%0.00622%0.219CC..SBendtrans-133.8121.8-169.2167.50000110.4R15 V17 I40 V105 C114 H138R15-V109 HydrophobicContact CB-CG2 4.3Å; V17-V109 HydrophobicContact CG2-CB 4.47Å; V17-V109 HydrophobicContact CG2-CG1 4.32Å; V17-V109 HydrophobicContact CG2-CG2 3.77Å; I40-V109 HydrophobicContact CD1-CG2 4.31Å; I40-V109 HydrophobicContact CG2-CG2 4.24Å; V105-V109 HydrophobicContact CG1-CB 4.02Å; V105-V109 HydrophobicContact CG1-CG1 4.36Å; V105-V109 WeakPolarHBondContact O-CB 3.13Å; V105-V109 PolarHBondContact O-N 3.43Å; V109-C114 HydrophobicContact CG1-CB 3.55Å; V109-C114 HydrophobicContact CG2-CB 4.19Å; V109-H138 PolarHBondContact O-NE2 2.87Å
110P97.6Very high97.8Very high32 Ų3243.6 Ų43.621%0.20823%0.225CC..  trans-62.2147.9170-19.331.9000111.7R12 Q112 T113R12-P110 HydrophobicContact CB-CG 4.04Å; P110-Q112 PolarHBondContact O-N 3.49Å; P110-T113 HydrophobicContact CB-CG2 3.98Å; P110-T113 PolarHBondContact O-N 3.32Å; P110-T113 PolarHBondContact O-OG1 3.31Å
111E97.6Very high97.6Very high131 Ų13139.1 Ų39.161%0.61220%0.204SC*.THydrogen-bonded Turntrans-54.1134.8-178.6-178.6171.7-162.900112.4T113 H138E111-T113 WeakPolarHBondContact O-CG2 3.35Å; E111-T113 PolarHBondContact O-N 2.87Å; E111-T113 VanDerWaalsContact O-N 3.12Å; E111-H138 VanDerWaalsContact CA-CE1 3.43Å; E111-H138 WeakPolarHBondContact CA-CE1 3.42Å
112Q97.7Very high97.4Very high117 Ų11742.6 Ų42.655%0.54723%0.229SC..THydrogen-bonded Turntrans58.221.5175-67.5177.7-7.100115.4P110 D137 H138 H140P110-Q112 PolarHBondContact O-N 3.49Å; Q112-D137 VanDerWaalsContact CG-O 3.26Å; Q112-D137 WeakPolarHBondContact CG-O 3.19Å; Q112-D137 PolarHBondContact NE2-O 3.36Å; Q112-H138 WeakPolarHBondContact CA-O 3.46Å; Q112-H138 PolarHBondContact N-O 3.21Å; Q112-H140 PolarHBondContact O-CD2 3.05Å; Q112-H140 VanDerWaalsContact O-CD2 3.26Å
113T97.7Very high97.3Very high47 Ų4744.9 Ų44.929%0.28824%0.239SC..THydrogen-bonded Turntrans-101.5-44.3-17858.80000114.3P110 E111P110-T113 HydrophobicContact CB-CG2 3.98Å; P110-T113 PolarHBondContact O-N 3.32Å; P110-T113 PolarHBondContact O-OG1 3.31Å; E111-T113 WeakPolarHBondContact O-CG2 3.35Å; E111-T113 PolarHBondContact O-N 2.87Å; E111-T113 VanDerWaalsContact O-N 3.12Å
114C98.5Very high97.2Very high0 Ų041 Ų410%022%0.222CC..SBendtrans-98.7135.1-171.5-62.90000112.7R12 R15 V17 V109 H140R12-C114 PolarHBondContact O-SG 3.29Å; R15-C114 PolarHBondContact N-SG 3.5Å; R15-C114 WeakPolarHBondContact O-CB 3.29Å; R15-C114 PolarHBondContact O-SG 3.29Å; V17-C114 HydrophobicContact CG2-CB 3.96Å; V109-C114 HydrophobicContact CG1-CB 3.55Å; V109-C114 HydrophobicContact CG2-CB 4.19Å; C114-H140 WeakPolarHBondContact O-CB 3.49Å; C114-H140 PolarHBondContact O-N 2.94Å
115P98.3Very high97.2Very high23 Ų2341 Ų4115%0.14922%0.22CC..EExtended strand (participates in β ladder)trans-75.8158.2177.233.3-36.1000112L16 V17 R142 V144L16-P115 HydrophobicContact CD2-CG 3.52Å; V17-P115 PolarHBondContact N-O 2.97Å; V17-P115 VanDerWaalsContact N-O 3.11Å; P115-R142 WeakPolarHBondContact CA-O 3.3Å; P115-R142 HydrophobicContact CB-CB 4.3Å; P115-R142 WeakPolarHBondContact CB-O 3.45Å; P115-V144 HydrophobicContact CG-CG2 4.05Å
116L98.6Very high97.1Very high0 Ų042.8 Ų42.80%024%0.235CC..EExtended strand (participates in β ladder)trans-71.8136.7166.1175.366.4000109.6V17 I19 C121 R125 L128 L139 R142 N143 V144V17-L116 CarbonylContact O-C 3.53Å; V17-L116 WeakPolarHBondContact O-CA 3.49Å; I19-L116 HydrophobicContact CB-CD1 3.64Å; I19-L116 HydrophobicContact CD1-CD1 4.17Å; I19-L116 HydrophobicContact CG1-CD1 4.15Å; L116-C121 HydrophobicContact CD2-CB 4.13Å; L116-C121 HydrophobicContact CG-CB 4.29Å; L116-R125 VanDerWaalsContact CB-NH2 3.34Å; L116-R125 HydrophobicContact CD2-CB 3.8Å; L116-L128 HydrophobicContact CD2-CD1 4.48Å; L116-L139 HydrophobicContact CB-CD1 4.39Å; L116-R142 PolarHBondContact N-O 2.95Å; L116-N143 CarbonylContact O-C 3.48Å; L116-N143 WeakPolarHBondContact O-CA 3.32Å; L116-V144 PolarHBondContact O-N 2.89Å
117A98.4Very high97.2Very high0 Ų038.3 Ų38.30%022%0.216CC..EExtended strand (participates in β ladder)trans-124.4149.1176.700000111.1L16 V17 W18 I19 V144L16-A117 HydrophobicContact CB-CB 4.18Å; V17-A117 PolarHBondContact O-N 3.05Å; W18-A117 VanDerWaalsContact CA-O 3.29Å; W18-A117 WeakPolarHBondContact CA-O 3.41Å; W18-A117 HydrophobicContact CD2-CB 3.56Å; W18-A117 HydrophobicContact CE3-CB 3.78Å; W18-A117 HydrophobicContact CG-CB 3.97Å; W18-A117 HydrophobicContact CH2-CB 4.29Å; W18-A117 HydrophobicContact CZ2-CB 4.1Å; W18-A117 HydrophobicContact CZ3-CB 4.14Å; I19-A117 PolarHBondContact N-O 3.17Å; A117-V144 VanDerWaalsContact CA-O 3.32Å; A117-V144 WeakPolarHBondContact CA-O 3.32Å; A117-V144 HydrophobicContact CB-CB 4.08Å
118G96.7Very high97.2Very high1 Ų134.2 Ų34.21%0.0119%0.188CC..EExtended strand (participates in β ladder)trans158177.3179.600000112.3V144 D145 V146G118-V144 PolarHBondContact N-O 2.94Å; G118-D145 WeakPolarHBondContact O-CA 3.46Å; G118-V146 PolarHBondContact O-N 3.21Å
119N94.2Very high97.2Very high36 Ų3639.2 Ų39.219%0.19321%0.209CC..THydrogen-bonded Turntrans-82126.9169.6-96.4-50.4000109.8C121 V146 S147 S173 E176N119-C121 PolarHBondContact O-N 2.93Å; N119-C121 VanDerWaalsContact O-N 3.13Å; N119-V146 WeakPolarHBondContact OD1-CB 3.45Å; N119-S147 PolarHBondContact OD1-N 3.12Å; N119-S173 PolarHBondContact ND2-OG 2.88Å; N119-E176 PolarHBondContact ND2-OE2 2.7Å
120T93.8Very high97.2Very high75 Ų7543.5 Ų43.546%0.4623%0.228SC..THydrogen-bonded Turntrans55.735.6176-50.30000112.6S122 Q123 D145T120-S122 PolarHBondContact O-N 3.16Å; T120-Q123 PolarHBondContact O-N 2.97Å; T120-D145 PolarHBondContact N-OD1 3.48Å
121C94.4Very high97.3Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-55.7-14.1-175.562.50000115.8L116 N119 Q123 D124 R125 N143 D145L116-C121 HydrophobicContact CD2-CB 4.13Å; L116-C121 HydrophobicContact CG-CB 4.29Å; N119-C121 PolarHBondContact O-N 2.93Å; N119-C121 VanDerWaalsContact O-N 3.13Å; C121-Q123 VanDerWaalsContact C-N 3.27Å; C121-Q123 PolarHBondContact O-N 3.44Å; C121-D124 WeakPolarHBondContact CA-OD2 3.31Å; C121-R125 VanDerWaalsContact O-CB 3.31Å; C121-R125 WeakPolarHBondContact O-CB 3.47Å; C121-R125 PolarHBondContact O-N 2.98Å; C121-N143 WeakPolarHBondContact SG-CB 3.27Å; C121-N143 PolarHBondContact SG-ND2 3.31Å; C121-N143 VanDerWaalsContact SG-ND2 3.39Å; C121-D145 PolarHBondContact N-OD2 3.26Å; C121-D145 PolarHBondContact SG-OD2 2.92Å; C121-D145 VanDerWaalsContact SG-OD2 3.32Å
122S95.6Very high97.3Very high74 Ų7437.3 Ų37.352%0.51720%0.195SC..Hα-helixtrans-63.3-35.3174.962.70000112T120 A126T120-S122 PolarHBondContact O-N 3.16Å; S122-A126 PolarHBondContact O-N 3.35Å; S122-A126 VanDerWaalsContact O-N 3.12Å
123Q95.5Very high97.3Very high53 Ų5334.5 Ų34.525%0.24819%0.186CC..Hα-helixtrans-69.9-46.7177.4-173.364.266.300110.9M23 L26 T120 C121 R125 A126 F127M23-Q123 HydrophobicContact CE-CG 3.63Å; L26-Q123 HydrophobicContact CD2-CG 4.06Å; L26-Q123 PolarHBondContact O-NE2 3.46Å; T120-Q123 PolarHBondContact O-N 2.97Å; C121-Q123 VanDerWaalsContact C-N 3.27Å; C121-Q123 PolarHBondContact O-N 3.44Å; Q123-R125 PolarHBondContact O-N 2.77Å; Q123-A126 WeakPolarHBondContact O-CB 3.48Å; Q123-A126 PolarHBondContact O-N 3.37Å; Q123-F127 VanDerWaalsContact NE2-CE2 3.28Å; Q123-F127 PolarHBondContact O-N 3.18Å
124D97.3Very high97.4Very high7 Ų737.4 Ų37.44%0.03719%0.192CC..Hα-helixtrans-59.7-48.7175.6-54.4-51.3000110.7C21 C121 A126 F127 L128C21-D124 HydrophobicContact CB-CB 4.45Å; C21-D124 WeakPolarHBondContact CB-OD1 3.49Å; C21-D124 PolarHBondContact N-OD1 3.14Å; C121-D124 WeakPolarHBondContact CA-OD2 3.31Å; D124-A126 PolarHBondContact O-N 3.07Å; D124-F127 PolarHBondContact O-N 2.84Å; D124-L128 WeakPolarHBondContact O-CB 3.28Å; D124-L128 VanDerWaalsContact O-CG 3.3Å; D124-L128 WeakPolarHBondContact O-CG 3.3Å; D124-L128 PolarHBondContact O-N 3.26Å
125R98.2Very high97.4Very high35 Ų3537.4 Ų37.413%0.13219%0.192CC..Hα-helixtrans-57.4-36.5178.2-174.8171.7-75.2-92.515.3112.3L116 C121 Q123 K129 H140 R142 N143L116-R125 VanDerWaalsContact CB-NH2 3.34Å; L116-R125 HydrophobicContact CD2-CB 3.8Å; C121-R125 VanDerWaalsContact O-CB 3.31Å; C121-R125 WeakPolarHBondContact O-CB 3.47Å; C121-R125 PolarHBondContact O-N 2.98Å; Q123-R125 PolarHBondContact O-N 2.77Å; R125-K129 VanDerWaalsContact O-CB 3.27Å; R125-K129 WeakPolarHBondContact O-CB 3.44Å; R125-K129 PolarHBondContact O-N 3.48Å; R125-H140 PolarHBondContact NH2-O 3.04Å; R125-R142 PolarHBondContact NH2-O 3.2Å; R125-R142 VanDerWaalsContact NH2-O 3.11Å; R125-N143 PolarHBondContact NE-OD1 3.46Å; R125-N143 PolarHBondContact NH2-OD1 3.36Å
126A98.1Very high97.4Very high38 Ų3837.1 Ų37.131%0.31419%0.19SC..Hα-helixtrans-63.8-44.917700000111.6V28 S122 Q123 D124 K129 K130V28-A126 HydrophobicContact CG2-CB 4.48Å; V28-A126 WeakPolarHBondContact CG2-O 3.15Å; S122-A126 PolarHBondContact O-N 3.35Å; S122-A126 VanDerWaalsContact O-N 3.12Å; Q123-A126 WeakPolarHBondContact O-CB 3.48Å; Q123-A126 PolarHBondContact O-N 3.37Å; D124-A126 PolarHBondContact O-N 3.07Å; A126-K129 PolarHBondContact O-N 3.46Å; A126-K130 PolarHBondContact O-N 2.95Å
127F98.4Very high97.4Very high0 Ų042.2 Ų42.20%022%0.217CC..Hα-helixtrans-66.7-46.1175.3-87.7-97.5000112.3M23 G25 V28 K31 Q123 D124 K129 K130 Y131M23-F127 HydrophobicContact CB-CD1 4.44Å; M23-F127 HydrophobicContact CB-CE1 3.87Å; M23-F127 HydrophobicContact CB-CE2 4.43Å; M23-F127 HydrophobicContact CB-CZ 3.84Å; M23-F127 HydrophobicContact CE-CD2 3.58Å; M23-F127 HydrophobicContact CE-CE2 3.65Å; M23-F127 HydrophobicContact CE-CG 4.18Å; M23-F127 HydrophobicContact CE-CZ 4.32Å; M23-F127 HydrophobicContact CG-CD1 3.57Å; M23-F127 HydrophobicContact CG-CD2 4.02Å; M23-F127 HydrophobicContact CG-CE1 3.49Å; M23-F127 VanDerWaalsContact CG-CE1 3.49Å; M23-F127 HydrophobicContact CG-CE2 3.93Å; M23-F127 HydrophobicContact CG-CG 3.82Å; M23-F127 HydrophobicContact CG-CZ 3.65Å; M23-F127 HydrophobicContact SD-CD2 4.45Å; G25-F127 WeakPolarHBondContact O-CZ 3.3Å; V28-F127 HydrophobicContact CB-CD2 4.37Å; V28-F127 HydrophobicContact CB-CE2 4.21Å; V28-F127 HydrophobicContact CG2-CD2 4.19Å; V28-F127 HydrophobicContact CG2-CE2 4.45Å; V28-F127 HydrophobicContact CG2-CG 4.26Å; K31-F127 HydrophobicContact CB-CE1 4.13Å; K31-F127 HydrophobicContact CB-CZ 3.78Å; Q123-F127 VanDerWaalsContact NE2-CE2 3.28Å; Q123-F127 PolarHBondContact O-N 3.18Å; D124-F127 PolarHBondContact O-N 2.84Å; F127-K129 VanDerWaalsContact C-N 3.25Å; F127-K129 PolarHBondContact O-N 3.38Å; F127-K130 PolarHBondContact O-N 3.07Å; F127-Y131 HydrophobicContact CB-CD2 4.5Å; F127-Y131 AromaticContact CD1-CD2 3.87Å; F127-Y131 HydrophobicContact CD1-CD2 3.87Å; F127-Y131 AromaticContact CD1-CE2 3.67Å; F127-Y131 HydrophobicContact CD1-CE2 3.67Å; F127-Y131 HydrophobicContact CE1-CE2 4.08Å; F127-Y131 WeakPolarHBondContact O-CD2 3.35Å; F127-Y131 PolarHBondContact O-N 3.06Å
128L98.6Very high97.4Very high1 Ų142.8 Ų42.81%0.00522%0.22CC..Hα-helixtrans-58-39.2175.5-65.5175000111I19 V36 L116 D124 K130 Y131 M132 L135 V136I19-L128 HydrophobicContact CB-CD1 4.45Å; I19-L128 HydrophobicContact CD1-CD1 4.3Å; I19-L128 HydrophobicContact CG2-CD1 3.94Å; I19-L128 HydrophobicContact CG2-CD2 4.39Å; V36-L128 HydrophobicContact CG2-CD2 4.37Å; L116-L128 HydrophobicContact CD2-CD1 4.48Å; D124-L128 WeakPolarHBondContact O-CB 3.28Å; D124-L128 VanDerWaalsContact O-CG 3.3Å; D124-L128 WeakPolarHBondContact O-CG 3.3Å; D124-L128 PolarHBondContact O-N 3.26Å; L128-K130 VanDerWaalsContact C-N 3.27Å; L128-K130 PolarHBondContact O-N 2.54Å; L128-Y131 PolarHBondContact O-N 3.32Å; L128-M132 HydrophobicContact CD2-CB 4.29Å; L128-M132 HydrophobicContact CD2-CG 4.38Å; L128-M132 HydrophobicContact CD2-SD 3.86Å; L128-M132 CarbonylContact O-C 3.45Å; L128-M132 WeakPolarHBondContact O-CA 3.4Å; L128-M132 PolarHBondContact O-N 3.44Å; L128-M132 VanDerWaalsContact O-O 3.12Å; L128-L135 HydrophobicContact CD2-CD2 4.23Å; L128-V136 VanDerWaalsContact C-CG2 3.45Å; L128-V136 HydrophobicContact CB-CG2 3.48Å; L128-V136 VanDerWaalsContact CB-CG2 3.48Å
129K98.2Very high97.5Very high152 Ų15243 Ų4366%0.66122%0.221SC*.Hα-helixtrans-65.1-31.6177.9-173.2173.9-178.8177.60112.7R125 A126 F127 V136R125-K129 VanDerWaalsContact O-CB 3.27Å; R125-K129 WeakPolarHBondContact O-CB 3.44Å; R125-K129 PolarHBondContact O-N 3.48Å; A126-K129 PolarHBondContact O-N 3.46Å; F127-K129 VanDerWaalsContact C-N 3.25Å; F127-K129 PolarHBondContact O-N 3.38Å; K129-V136 HydrophobicContact CB-CG2 4.43Å
130K98.3Very high97.7Very high91 Ų9143.3 Ų43.340%0.39622%0.221SC..Hα-helixtrans-80.1-45.3177.5-179.6179.6175.9-1620112.3V28 N29 A126 F127 L128V28-K130 HydrophobicContact CG2-CB 3.99Å; V28-K130 HydrophobicContact CG2-CD 3.87Å; V28-K130 WeakPolarHBondContact O-CD 3.5Å; V28-K130 WeakPolarHBondContact O-CE 3.34Å; V28-K130 PolarHBondContact O-NZ 3.15Å; N29-K130 PolarHBondContact O-NZ 3.4Å; A126-K130 PolarHBondContact O-N 2.95Å; F127-K130 PolarHBondContact O-N 3.07Å; L128-K130 VanDerWaalsContact C-N 3.27Å; L128-K130 PolarHBondContact O-N 2.54Å
131Y98.5Very high97.8Very high34 Ų3446.3 Ų46.313%0.13323%0.229CC..Hα-helixtrans-100.6-23.5-168.4-71.6-73.8000113.7K31 L33 V94 F127 L128K31-Y131 PolarHBondContact O-OH 3.1Å; L33-Y131 HydrophobicContact CB-CD2 4.37Å; L33-Y131 HydrophobicContact CB-CG 4.5Å; V94-Y131 HydrophobicContact CG1-CD1 4.1Å; V94-Y131 HydrophobicContact CG1-CG 4.46Å; V94-Y131 WeakPolarHBondContact CG1-O 3.42Å; V94-Y131 HydrophobicContact CG2-CD1 4.27Å; F127-Y131 HydrophobicContact CB-CD2 4.5Å; F127-Y131 AromaticContact CD1-CD2 3.87Å; F127-Y131 HydrophobicContact CD1-CD2 3.87Å; F127-Y131 AromaticContact CD1-CE2 3.67Å; F127-Y131 HydrophobicContact CD1-CE2 3.67Å; F127-Y131 HydrophobicContact CE1-CE2 4.08Å; F127-Y131 WeakPolarHBondContact O-CD2 3.35Å; F127-Y131 PolarHBondContact O-N 3.06Å; L128-Y131 PolarHBondContact O-N 3.32Å
132M98.6Very high98Very high0 Ų054.1 Ų54.10%026%0.259CS..  trans-138.254.9-174.3-59.1-170.3171.900111.6L33 V36 I58 A97 E98 L101 L128 R134 L135 V136L33-M132 HydrophobicContact CD2-CE 3.6Å; L33-M132 HydrophobicContact CD2-SD 4.36Å; V36-M132 HydrophobicContact CG1-CE 3.99Å; I58-M132 HydrophobicContact CD1-CE 3.85Å; A97-M132 HydrophobicContact CB-CE 3.76Å; E98-M132 HydrophobicContact CB-CB 4.26Å; E98-M132 HydrophobicContact CB-CG 3.9Å; E98-M132 HydrophobicContact CB-SD 4.38Å; E98-M132 HydrophobicContact CG-CB 3.85Å; E98-M132 HydrophobicContact CG-CG 4.07Å; E98-M132 WeakPolarHBondContact OE1-CA 3.24Å; L101-M132 HydrophobicContact CD2-SD 4.09Å; L128-M132 HydrophobicContact CD2-CB 4.29Å; L128-M132 HydrophobicContact CD2-CG 4.38Å; L128-M132 HydrophobicContact CD2-SD 3.86Å; L128-M132 CarbonylContact O-C 3.45Å; L128-M132 WeakPolarHBondContact O-CA 3.4Å; L128-M132 PolarHBondContact O-N 3.44Å; L128-M132 VanDerWaalsContact O-O 3.12Å; M132-R134 VanDerWaalsContact C-N 3.33Å; M132-R134 PolarHBondContact O-N 3.41Å; M132-L135 HydrophobicContact CB-CB 4.11Å; M132-L135 HydrophobicContact CB-CD2 4.31Å; M132-L135 WeakPolarHBondContact O-CB 3.38Å; M132-L135 PolarHBondContact O-N 3.1Å; M132-L135 HydrophobicContact SD-CD2 4.21Å; M132-V136 PolarHBondContact O-N 3.43Å; M132-V136 VanDerWaalsContact O-N 3.14Å
133P98.4Very high98.1Very high57 Ų5753.3 Ų53.337%0.3725%0.249SC..Hα-helixtrans-61.6-35.7-172.726.4-35.3000113.5E98 L135 V136 D137E98-P133 WeakPolarHBondContact OE1-CD 3.33Å; E98-P133 VanDerWaalsContact OE1-N 3.09Å; P133-L135 VanDerWaalsContact C-N 3.28Å; P133-L135 PolarHBondContact O-N 3.32Å; P133-V136 PolarHBondContact O-N 3.45Å; P133-D137 WeakPolarHBondContact O-CB 3.45Å; P133-D137 VanDerWaalsContact O-CG 3.3Å; P133-D137 PolarHBondContact O-N 2.96Å
134R98.7Very high98.2Very high109 Ų10952.4 Ų52.441%0.41125%0.247SC..Hα-helixtrans-66-35.7179.7-59.5-179-70.2152.71.5111.1E98 E99 L102 M132 H138E98-R134 WeakPolarHBondContact OE1-CA 3.38Å; E98-R134 VanDerWaalsContact OE1-CB 3.29Å; E98-R134 WeakPolarHBondContact OE1-CB 3.36Å; E98-R134 PolarHBondContact OE1-N 3.15Å; E98-R134 IonicContact OE1-NE 3.83Å; E98-R134 IonicContact OE2-CZ 3.76Å; E98-R134 IonicContact OE2-NE 3.43Å; E98-R134 PolarHBondContact OE2-NE 2.94Å; E98-R134 IonicContact OE2-NH2 3.82Å; E98-R134 PolarHBondContact OE2-NH2 3.46Å; E99-R134 IonicContact OE2-CZ 3.23Å; E99-R134 IonicContact OE2-NH1 2.94Å; E99-R134 PolarHBondContact OE2-NH1 3.03Å; E99-R134 IonicContact OE2-NH2 2.7Å; E99-R134 PolarHBondContact OE2-NH2 3.5Å; L102-R134 HydrophobicContact CD2-CB 3.86Å; M132-R134 VanDerWaalsContact C-N 3.33Å; M132-R134 PolarHBondContact O-N 3.41Å; R134-H138 PolarHBondContact O-N 3.31Å
135L98.6Very high98.2Very high0 Ų053.4 Ų53.40%025%0.252CS..Hα-helixtrans-64.6-48.4172.4176.166.8000111.2I19 E98 L101 L102 V105 L128 M132 P133 D137 H138 L139I19-L135 HydrophobicContact CD1-CD2 4.1Å; E98-L135 HydrophobicContact CG-CB 4.48Å; L101-L135 HydrophobicContact CB-CD2 4.48Å; L101-L135 HydrophobicContact CD2-CD2 3.37Å; L101-L135 HydrophobicContact CG-CD1 4.28Å; L101-L135 HydrophobicContact CG-CD2 3.64Å; L102-L135 HydrophobicContact CD1-CD1 4.4Å; V105-L135 HydrophobicContact CB-CD1 4.18Å; V105-L135 HydrophobicContact CG2-CD1 3.88Å; L128-L135 HydrophobicContact CD2-CD2 4.23Å; M132-L135 HydrophobicContact CB-CB 4.11Å; M132-L135 HydrophobicContact CB-CD2 4.31Å; M132-L135 WeakPolarHBondContact O-CB 3.38Å; M132-L135 PolarHBondContact O-N 3.1Å; M132-L135 HydrophobicContact SD-CD2 4.21Å; P133-L135 VanDerWaalsContact C-N 3.28Å; P133-L135 PolarHBondContact O-N 3.32Å; L135-D137 VanDerWaalsContact C-N 3.31Å; L135-D137 PolarHBondContact O-N 3.46Å; L135-H138 WeakPolarHBondContact O-CB 3.29Å; L135-H138 PolarHBondContact O-N 2.75Å; L135-H138 VanDerWaalsContact O-N 3.15Å; L135-L139 WeakPolarHBondContact O-CG 3.4Å; L135-L139 PolarHBondContact O-N 2.95Å
136V98.3Very high98Very high16 Ų1651.8 Ų51.810%0.09725%0.246CC..Hα-helixtrans-61.5-39.5179.6173.70000112.2L128 K129 M132 P133 H138 L139L128-V136 VanDerWaalsContact C-CG2 3.45Å; L128-V136 HydrophobicContact CB-CG2 3.48Å; L128-V136 VanDerWaalsContact CB-CG2 3.48Å; K129-V136 HydrophobicContact CB-CG2 4.43Å; M132-V136 PolarHBondContact O-N 3.43Å; M132-V136 VanDerWaalsContact O-N 3.14Å; P133-V136 PolarHBondContact O-N 3.45Å; V136-H138 PolarHBondContact O-N 2.8Å; V136-L139 PolarHBondContact O-N 3.17Å; V136-L139 VanDerWaalsContact O-N 3.12Å
137D98.3Very high97.8Very high107 Ų10751.1 Ų51.157%0.57224%0.239SC*.Hα-helixtrans-66.4-26.9178.2-72.3-16.7000112.8Q112 P133 L135Q112-D137 VanDerWaalsContact CG-O 3.26Å; Q112-D137 WeakPolarHBondContact CG-O 3.19Å; Q112-D137 PolarHBondContact NE2-O 3.36Å; P133-D137 WeakPolarHBondContact O-CB 3.45Å; P133-D137 VanDerWaalsContact O-CG 3.3Å; P133-D137 PolarHBondContact O-N 2.96Å; L135-D137 VanDerWaalsContact C-N 3.31Å; L135-D137 PolarHBondContact O-N 3.46Å
138H98.6Very high97.6Very high12 Ų1254.3 Ų54.36%0.05626%0.261CS..Hα-helixtrans-77.2-22.4173.6-168.990.6000112.6L102 K106 V109 E111 Q112 R134 L135 V136L102-H138 HydrophobicContact CD1-CB 3.94Å; K106-H138 VanDerWaalsContact CG-CE1 3.47Å; K106-H138 WeakPolarHBondContact CG-CE1 3.45Å; V109-H138 PolarHBondContact O-NE2 2.87Å; E111-H138 VanDerWaalsContact CA-CE1 3.43Å; E111-H138 WeakPolarHBondContact CA-CE1 3.42Å; Q112-H138 WeakPolarHBondContact CA-O 3.46Å; Q112-H138 PolarHBondContact N-O 3.21Å; R134-H138 PolarHBondContact O-N 3.31Å; L135-H138 WeakPolarHBondContact O-CB 3.29Å; L135-H138 PolarHBondContact O-N 2.75Å; L135-H138 VanDerWaalsContact O-N 3.15Å; V136-H138 PolarHBondContact O-N 2.8Å
139L98.5Very high97.4Very high7 Ų756.8 Ų56.84%0.03727%0.272CS..SBendtrans-83.7154.7178.4-61.2177000111.6V17 I19 V105 L116 L135 V136V17-L139 HydrophobicContact CB-CD2 3.91Å; V17-L139 HydrophobicContact CG1-CD2 3.92Å; V17-L139 HydrophobicContact CG2-CD2 3.75Å; I19-L139 HydrophobicContact CD1-CD1 4.46Å; V105-L139 HydrophobicContact CG1-CD2 4.19Å; L116-L139 HydrophobicContact CB-CD1 4.39Å; L135-L139 WeakPolarHBondContact O-CG 3.4Å; L135-L139 PolarHBondContact O-N 2.95Å; V136-L139 PolarHBondContact O-N 3.17Å; V136-L139 VanDerWaalsContact O-N 3.12Å
140H98Very high97.1Very high42 Ų4252.1 Ų52.119%0.19425%0.252CS..EExtended strand (participates in β ladder)trans-66.8149.3166.6-170.8-92000110.2Q112 C114 R125 R142Q112-H140 PolarHBondContact O-CD2 3.05Å; Q112-H140 VanDerWaalsContact O-CD2 3.26Å; C114-H140 WeakPolarHBondContact O-CB 3.49Å; C114-H140 PolarHBondContact O-N 2.94Å; R125-H140 PolarHBondContact NH2-O 3.04Å; H140-R142 VanDerWaalsContact CE1-CD 3.49Å; H140-R142 WeakPolarHBondContact CE1-CD 3.07Å; H140-R142 VanDerWaalsContact CE1-CG 3.45Å; H140-R142 WeakPolarHBondContact CE1-CG 3.49Å; H140-R142 WeakPolarHBondContact ND1-CB 3.38Å; H140-R142 PolarHBondContact ND1-N 3.34Å; H140-R142 VanDerWaalsContact ND1-N 3.17Å; H140-R142 PolarHBondContact O-N 2.93Å
141H97.1Very high96.8Very high137 Ų13751.8 Ų51.863%0.63425%0.252SS*.EExtended strand (participates in β ladder)trans-68.2-19.1-175.866.8-87.1000114.4
142R98Very high96.4Very high165 Ų16557.5 Ų57.562%0.62328%0.281SS*.EExtended strand (participates in β ladder)trans-79.6160.9178.4-68.2175.9-164.1172.64111.5P115 L116 R125 H140P115-R142 WeakPolarHBondContact CA-O 3.3Å; P115-R142 HydrophobicContact CB-CB 4.3Å; P115-R142 WeakPolarHBondContact CB-O 3.45Å; L116-R142 PolarHBondContact N-O 2.95Å; R125-R142 PolarHBondContact NH2-O 3.2Å; R125-R142 VanDerWaalsContact NH2-O 3.11Å; H140-R142 VanDerWaalsContact CE1-CD 3.49Å; H140-R142 WeakPolarHBondContact CE1-CD 3.07Å; H140-R142 VanDerWaalsContact CE1-CG 3.45Å; H140-R142 WeakPolarHBondContact CE1-CG 3.49Å; H140-R142 WeakPolarHBondContact ND1-CB 3.38Å; H140-R142 PolarHBondContact ND1-N 3.34Å; H140-R142 VanDerWaalsContact ND1-N 3.17Å; H140-R142 PolarHBondContact O-N 2.93Å
143N97.8Very high96Very high56 Ų5657.6 Ų57.630%0.29928%0.282SS..EExtended strand (participates in β ladder)trans-124.6153.2171.5-61.7-20.1000111.5L116 C121 R125L116-N143 CarbonylContact O-C 3.48Å; L116-N143 WeakPolarHBondContact O-CA 3.32Å; C121-N143 WeakPolarHBondContact SG-CB 3.27Å; C121-N143 PolarHBondContact SG-ND2 3.31Å; C121-N143 VanDerWaalsContact SG-ND2 3.39Å; R125-N143 PolarHBondContact NE-OD1 3.46Å; R125-N143 PolarHBondContact NH2-OD1 3.36Å
144V97.4Very high95.5Very high35 Ų3561.4 Ų61.421%0.21229%0.289CS..EExtended strand (participates in β ladder)trans-106.199.9161.4177.80000107.3L16 P115 L116 A117 G118 M177L16-V144 HydrophobicContact CD2-CG2 3.79Å; P115-V144 HydrophobicContact CG-CG2 4.05Å; L116-V144 PolarHBondContact O-N 2.89Å; A117-V144 VanDerWaalsContact CA-O 3.32Å; A117-V144 WeakPolarHBondContact CA-O 3.32Å; A117-V144 HydrophobicContact CB-CB 4.08Å; G118-V144 PolarHBondContact N-O 2.94Å; V144-M177 HydrophobicContact CG1-CE 4.38Å
145D96.7Very high94.8Very high28 Ų2867.1 Ų67.115%0.1531%0.313CS..EExtended strand (participates in β ladder)trans-97.5108.1-176-161.9-35.4000111.2G118 T120 C121 S147 S148G118-D145 WeakPolarHBondContact O-CA 3.46Å; T120-D145 PolarHBondContact N-OD1 3.48Å; C121-D145 PolarHBondContact N-OD2 3.26Å; C121-D145 PolarHBondContact SG-OD2 2.92Å; C121-D145 VanDerWaalsContact SG-OD2 3.32Å; D145-S147 VanDerWaalsContact CG-OG 3.28Å; D145-S147 PolarHBondContact O-N 3.15Å; D145-S147 VanDerWaalsContact OD1-CB 3.29Å; D145-S147 WeakPolarHBondContact OD1-CB 3.16Å; D145-S147 PolarHBondContact OD1-N 3.4Å; D145-S147 PolarHBondContact OD1-OG 3.19Å; D145-S148 VanDerWaalsContact O-CB 3.3Å; D145-S148 WeakPolarHBondContact O-CB 3.38Å; D145-S148 PolarHBondContact O-N 3.3Å
146V95Very high94Very high0 Ų071.5 Ų71.50%034%0.343CS..Hα-helixtrans-60.7-31.7-179.5-179.20000111.4W18 G118 N119 S148 F149 K150 E176 M177 Y180W18-V146 HydrophobicContact CH2-CG2 4.21Å; W18-V146 HydrophobicContact CZ3-CG2 3.81Å; G118-V146 PolarHBondContact O-N 3.21Å; N119-V146 WeakPolarHBondContact OD1-CB 3.45Å; V146-S148 PolarHBondContact O-N 2.8Å; V146-F149 PolarHBondContact O-N 3.13Å; V146-K150 PolarHBondContact O-N 3.28Å; V146-E176 HydrophobicContact CG1-CB 4.16Å; V146-E176 HydrophobicContact CG1-CG 3.85Å; V146-M177 HydrophobicContact CG1-CB 4.35Å; V146-M177 HydrophobicContact CG2-CB 4Å; V146-M177 HydrophobicContact CG2-CG 4.45Å; V146-M177 HydrophobicContact CG2-SD 4.38Å; V146-Y180 HydrophobicContact CG1-CD2 4.22Å; V146-Y180 HydrophobicContact CG1-CE2 4Å
147S93.8Very high93Very high24 Ų2472.1 Ų72.117%0.16835%0.345CS..Hα-helixtrans-64.1-25.6178.773.20000112.3N119 D145 K150 E151N119-S147 PolarHBondContact OD1-N 3.12Å; D145-S147 VanDerWaalsContact CG-OG 3.28Å; D145-S147 PolarHBondContact O-N 3.15Å; D145-S147 VanDerWaalsContact OD1-CB 3.29Å; D145-S147 WeakPolarHBondContact OD1-CB 3.16Å; D145-S147 PolarHBondContact OD1-N 3.4Å; D145-S147 PolarHBondContact OD1-OG 3.19Å; S147-K150 WeakPolarHBondContact O-CB 3.42Å; S147-K150 PolarHBondContact O-N 3.33Å; S147-E151 WeakPolarHBondContact O-CG 3.41Å; S147-E151 PolarHBondContact O-N 2.99Å
148S94.7Very high91.7Very high67 Ų6771.3 Ų71.347%0.46934%0.341SS..Hα-helixtrans-64-42.4173.2-63.20000111.6D145 V146 E151 M152D145-S148 VanDerWaalsContact O-CB 3.3Å; D145-S148 WeakPolarHBondContact O-CB 3.38Å; D145-S148 PolarHBondContact O-N 3.3Å; V146-S148 PolarHBondContact O-N 2.8Å; S148-E151 PolarHBondContact O-N 3.5Å; S148-M152 WeakPolarHBondContact O-CG 3.47Å; S148-M152 PolarHBondContact O-N 3.14Å; S148-M152 VanDerWaalsContact O-N 3.15Å
149F93.1Very high90.4Very high54 Ų5473.9 Ų73.924%0.23736%0.355CS..Hα-helixtrans-69.5-39.5177.1-65.4-90.6000111.4V146 E151 M152 C153 M177 Y180 L184 F185V146-F149 PolarHBondContact O-N 3.13Å; F149-E151 VanDerWaalsContact C-N 3.32Å; F149-E151 PolarHBondContact O-N 3.4Å; F149-M152 PolarHBondContact O-N 3.21Å; F149-M152 VanDerWaalsContact O-N 3.15Å; F149-C153 WeakPolarHBondContact O-CB 3.41Å; F149-C153 PolarHBondContact O-N 3.28Å; F149-C153 PolarHBondContact O-SG 2.76Å; F149-M177 HydrophobicContact CD2-CE 4.11Å; F149-M177 HydrophobicContact CD2-SD 3.82Å; F149-M177 HydrophobicContact CE1-CE 4.24Å; F149-M177 HydrophobicContact CE2-CE 3.68Å; F149-M177 HydrophobicContact CE2-SD 3.99Å; F149-M177 HydrophobicContact CG-SD 4.2Å; F149-M177 HydrophobicContact CZ-CE 3.75Å; F149-Y180 HydrophobicContact CB-CD2 3.41Å; F149-Y180 VanDerWaalsContact CB-CD2 3.41Å; F149-Y180 HydrophobicContact CB-CE2 3.96Å; F149-Y180 HydrophobicContact CB-CG 3.81Å; F149-Y180 HydrophobicContact CG-CD2 4.44Å; F149-L184 HydrophobicContact CD1-CD1 3.76Å; F149-F185 HydrophobicContact CE1-CE2 4.09Å; F149-F185 HydrophobicContact CE1-CZ 4.38Å
150K91.8Very high88.8Confident53 Ų5381.7 Ų81.723%0.2339%0.389CS..Hα-helixtrans-54.7-46.7172.4-176.6178.5-159.9142.70112.6V146 S147 M152 C153 R154 E176 Y180V146-K150 PolarHBondContact O-N 3.28Å; S147-K150 WeakPolarHBondContact O-CB 3.42Å; S147-K150 PolarHBondContact O-N 3.33Å; K150-M152 VanDerWaalsContact C-N 3.34Å; K150-M152 PolarHBondContact O-N 2.8Å; K150-C153 CarbonylContact O-C 3.47Å; K150-C153 PolarHBondContact O-N 2.91Å; K150-R154 WeakPolarHBondContact O-CA 3.31Å; K150-R154 PolarHBondContact O-N 3Å; K150-E176 WeakPolarHBondContact CD-OE1 3.39Å; K150-E176 IonicContact NZ-OE1 2.91Å; K150-E176 PolarHBondContact NZ-OE1 3.31Å; K150-Y180 VanDerWaalsContact CA-CZ 3.49Å; K150-Y180 VanDerWaalsContact CA-OH 3.3Å; K150-Y180 WeakPolarHBondContact CA-OH 3.42Å; K150-Y180 HydrophobicContact CB-CE2 4Å; K150-Y180 VanDerWaalsContact CB-OH 3.32Å; K150-Y180 WeakPolarHBondContact CB-OH 3.22Å; K150-Y180 WeakPolarHBondContact CG-OH 3.24Å
151E92.8Very high87.2Confident85 Ų8584.2 Ų84.240%0.39740%0.404SS..Hα-helixtrans-65.4-37.5177.8-71.2-53.8135.100112.4S147 S148 F149 C153 R154S147-E151 WeakPolarHBondContact O-CG 3.41Å; S147-E151 PolarHBondContact O-N 2.99Å; S148-E151 PolarHBondContact O-N 3.5Å; F149-E151 VanDerWaalsContact C-N 3.32Å; F149-E151 PolarHBondContact O-N 3.4Å; E151-C153 VanDerWaalsContact C-N 3.27Å; E151-C153 PolarHBondContact O-N 2.86Å; E151-R154 IonicContact OE1-CZ 3.77Å; E151-R154 IonicContact OE1-NE 2.67Å; E151-R154 IonicContact OE1-NH2 3.69Å; E151-R154 PolarHBondContact OE1-NH2 2.81Å; E151-R154 IonicContact OE2-CZ 3.13Å; E151-R154 IonicContact OE2-NE 2.67Å; E151-R154 PolarHBondContact OE2-NE 2.95Å; E151-R154 IonicContact OE2-NH2 3.15Å; E151-R154 PolarHBondContact OE2-NH2 2.84Å
152M91Very high85.8Confident153 Ų15383.5 Ų83.575%0.75440%0.403SS*.Hα-helixtrans-68.5-26.3175.1-65.3-56.294.400113S148 F149 K150S148-M152 WeakPolarHBondContact O-CG 3.47Å; S148-M152 PolarHBondContact O-N 3.14Å; S148-M152 VanDerWaalsContact O-N 3.15Å; F149-M152 PolarHBondContact O-N 3.21Å; F149-M152 VanDerWaalsContact O-N 3.15Å; K150-M152 VanDerWaalsContact C-N 3.34Å; K150-M152 PolarHBondContact O-N 2.8Å
153C89.5Confident84.9Confident3 Ų377.2 Ų77.22%0.0238%0.384CS..THydrogen-bonded Turntrans-1079.9-178.1-60.80000114.6F149 K150 E151 Y155 S156 L157 Y180 L184F149-C153 WeakPolarHBondContact O-CB 3.41Å; F149-C153 PolarHBondContact O-N 3.28Å; F149-C153 PolarHBondContact O-SG 2.76Å; K150-C153 CarbonylContact O-C 3.47Å; K150-C153 PolarHBondContact O-N 2.91Å; E151-C153 VanDerWaalsContact C-N 3.27Å; E151-C153 PolarHBondContact O-N 2.86Å; C153-Y155 PolarHBondContact O-N 3.11Å; C153-S156 PolarHBondContact O-N 2.75Å; C153-S156 PolarHBondContact O-OG 3.4Å; C153-L157 HydrophobicContact CB-CB 3.95Å; C153-L157 HydrophobicContact CB-CD1 4.16Å; C153-L157 HydrophobicContact CB-CG 4.4Å; C153-L157 PolarHBondContact O-N 3.39Å; C153-Y180 HydrophobicContact CB-CD1 4.14Å; C153-Y180 HydrophobicContact CB-CE1 3.91Å; C153-L184 WeakPolarHBondContact SG-CD2 3.46Å
154R86.8Confident84.4Confident137 Ų13777.6 Ų77.652%0.51738%0.383SS..THydrogen-bonded Turntrans-50.2-33.6-172.6-176.4-176.5-79.3-118.15.3114.3K150 E151K150-R154 WeakPolarHBondContact O-CA 3.31Å; K150-R154 PolarHBondContact O-N 3Å; E151-R154 IonicContact OE1-CZ 3.77Å; E151-R154 IonicContact OE1-NE 2.67Å; E151-R154 IonicContact OE1-NH2 3.69Å; E151-R154 PolarHBondContact OE1-NH2 2.81Å; E151-R154 IonicContact OE2-CZ 3.13Å; E151-R154 IonicContact OE2-NE 2.67Å; E151-R154 PolarHBondContact OE2-NE 2.95Å; E151-R154 IonicContact OE2-NH2 3.15Å; E151-R154 PolarHBondContact OE2-NH2 2.84Å
155Y84.5Confident84.3Confident229 Ų22978 Ų7890%0.89838%0.381SS*.THydrogen-bonded Turntrans-85.1-15-177.6-63.9-76.4000114.8C153C153-Y155 PolarHBondContact O-N 3.11Å
156S82.8Confident84.1Confident91 Ų9176.7 Ų76.764%0.63637%0.374SS*.THydrogen-bonded Turntrans-129.6-30.1-169550000115.1C153C153-S156 PolarHBondContact O-N 2.75Å; C153-S156 PolarHBondContact O-OG 3.4Å
157L76.2Confident84.2Confident29 Ų2977.5 Ų77.515%0.15238%0.378CS..  trans-137.449.5-169.8-55.2168.8000112.3C153 L159 Y180 H183C153-L157 HydrophobicContact CB-CB 3.95Å; C153-L157 HydrophobicContact CB-CD1 4.16Å; C153-L157 HydrophobicContact CB-CG 4.4Å; C153-L157 PolarHBondContact O-N 3.39Å; L157-L159 PolarHBondContact O-N 2.87Å; L157-L159 VanDerWaalsContact O-N 3.13Å; L157-Y180 HydrophobicContact CB-CE1 4.23Å; L157-H183 HydrophobicContact CD1-CB 3.34Å; L157-H183 HydrophobicContact CD2-CB 4.29Å; L157-H183 HydrophobicContact CG-CB 4.46Å
158N71.3Confident84.2Confident90 Ų9080 Ų8048%0.48139%0.39SS..  trans-78102.6-179.2-167.217.7000111.1
159L72.4Confident84.1Confident66 Ų6678.1 Ų78.135%0.34637%0.374SS..  trans-89.9127.8165.1-65.8179.8000109.4L157 H179L157-L159 PolarHBondContact O-N 2.87Å; L157-L159 VanDerWaalsContact O-N 3.13Å; L159-H179 HydrophobicContact CD1-CB 3.52Å; L159-H179 VanDerWaalsContact CD1-CG 3.41Å
160K63.2Low84.2Confident172 Ų17275.6 Ų75.675%0.74836%0.363SS*.  trans-106.4106.2166.3-73-172.6178.8-176.30107.7
161N65.8Low84.4Confident94 Ų9475 Ų7550%0.50336%0.361SS..  trans-120.1123.3155.7-148.5-5000106.2
162I68Low84.4Confident122 Ų12271.4 Ų71.463%0.62635%0.347SS*.  trans-122.9104.4175-59.4175.9000104F164I162-F164 HydrophobicContact CG2-CD1 3.92Å; I162-F164 HydrophobicContact CG2-CE1 3.44Å; I162-F164 VanDerWaalsContact CG2-CE1 3.44Å; I162-F164 HydrophobicContact CG2-CZ 4.15Å
163C79.2Confident84.5Confident33 Ų3364.3 Ų64.322%0.22331%0.313CS..  trans-98.3173.5162.3-58.40000107.3D168 D169C163-D168 HydrophobicContact CB-CB 3.5Å; C163-D169 VanDerWaalsContact CA-OD1 3.23Å; C163-D169 WeakPolarHBondContact CA-OD1 3.47Å; C163-D169 WeakPolarHBondContact CB-OD1 3.43Å; C163-D169 PolarHBondContact N-OD1 3.11Å; C163-D169 VanDerWaalsContact O-OD1 3.04Å; C163-D169 VanDerWaalsContact O-OD2 3.1Å
164F86.4Confident84.8Confident65 Ų6565.7 Ų65.729%0.28532%0.318SS..SBendtrans-129.514.5-176.7-55.5-51.7000111.9E22 K75 N80 S81 I162E22-F164 VanDerWaalsContact OE1-C 3.3Å; K75-F164 HydrophobicContact CD-CD1 4.16Å; K75-F164 HydrophobicContact CG-CB 3.99Å; K75-F164 HydrophobicContact CG-CD1 3.65Å; K75-F164 HydrophobicContact CG-CE1 4.34Å; K75-F164 HydrophobicContact CG-CG 4.03Å; N80-F164 HydrophobicContact CB-CD2 3.77Å; N80-F164 HydrophobicContact CB-CE2 3.87Å; S81-F164 VanDerWaalsContact CB-CB 3.45Å; S81-F164 WeakPolarHBondContact CB-O 3.34Å; I162-F164 HydrophobicContact CG2-CD1 3.92Å; I162-F164 HydrophobicContact CG2-CE1 3.44Å; I162-F164 VanDerWaalsContact CG2-CE1 3.44Å; I162-F164 HydrophobicContact CG2-CZ 4.15Å
165R94.7Very high85.1Confident44 Ų4464 Ų6417%0.16632%0.315CS..SBendtrans-127.7137.5179.9-65.7-57.3-61.4-121.1-3107.7E35 I57 S81 M167 D168 D169E35-R165 IonicContact OE1-CZ 3.18Å; E35-R165 IonicContact OE1-NE 3.34Å; E35-R165 PolarHBondContact OE1-NE 3.38Å; E35-R165 VanDerWaalsContact OE1-NE 3.13Å; E35-R165 IonicContact OE1-NH2 3.04Å; E35-R165 PolarHBondContact OE1-NH2 3.26Å; E35-R165 IonicContact OE2-CZ 3.63Å; E35-R165 IonicContact OE2-NE 3.65Å; E35-R165 PolarHBondContact OE2-NE 2.93Å; E35-R165 IonicContact OE2-NH2 2.79Å; I57-R165 VanDerWaalsContact CD1-NH2 3.25Å; S81-R165 PolarHBondContact O-NH1 2.64Å; R165-M167 VanDerWaalsContact C-N 3.29Å; R165-M167 PolarHBondContact O-N 3.21Å; R165-D168 PolarHBondContact O-N 2.85Å; R165-D168 VanDerWaalsContact O-N 3.09Å; R165-D169 PolarHBondContact O-N 3.28Å
166A94.3Very high85.5Confident0 Ų053.7 Ų53.70%028%0.275CS..Hα-helixtrans-56.9-42-168.500000113.1D20 E22 E35 A37 D169 I170D20-A166 HydrophobicContact CB-CB 4.3Å; D20-A166 VanDerWaalsContact OD2-CA 3.29Å; D20-A166 WeakPolarHBondContact OD2-CA 3.4Å; E22-A166 HydrophobicContact CG-CB 4.18Å; E35-A166 HydrophobicContact CB-CB 4.28Å; E35-A166 HydrophobicContact CG-CB 3.87Å; E35-A166 PolarHBondContact OE2-N 2.75Å; A37-A166 HydrophobicContact CB-CB 3.57Å; A166-D169 PolarHBondContact O-N 2.99Å; A166-I170 WeakPolarHBondContact O-CG1 3.32Å; A166-I170 PolarHBondContact O-N 3.27Å
167M96.6Very high86.1Confident16 Ų1650.1 Ų50.18%0.07925%0.249CC..Hα-helixtrans-66-43.9-179.8-176.361.269.800112.3A37 I39 K52 N55 R165 D169 I170 E171A37-M167 HydrophobicContact CB-CB 3.95Å; A37-M167 HydrophobicContact CB-CE 3.97Å; A37-M167 VanDerWaalsContact CB-N 3.34Å; A37-M167 HydrophobicContact CB-SD 4.47Å; I39-M167 HydrophobicContact CD1-SD 3.85Å; I39-M167 HydrophobicContact CG1-SD 3.88Å; K52-M167 HydrophobicContact CD-SD 4.29Å; K52-M167 WeakPolarHBondContact CE-SD 3.35Å; K52-M167 HydrophobicContact CG-CE 4.17Å; K52-M167 HydrophobicContact CG-SD 4Å; N55-M167 HydrophobicContact CB-CB 4.45Å; N55-M167 HydrophobicContact CB-CE 3.98Å; R165-M167 VanDerWaalsContact C-N 3.29Å; R165-M167 PolarHBondContact O-N 3.21Å; M167-D169 VanDerWaalsContact C-N 3.31Å; M167-D169 PolarHBondContact O-N 2.84Å; M167-I170 WeakPolarHBondContact O-CG1 3.2Å; M167-I170 HydrophobicContact SD-CD1 3.95Å; M167-I170 HydrophobicContact SD-CG1 4.23Å; M167-E171 WeakPolarHBondContact O-CG 3.47Å; M167-E171 PolarHBondContact O-N 3.12Å; M167-E171 VanDerWaalsContact O-N 3.08Å
168D94Very high86.9Confident78 Ų7851.5 Ų51.542%0.41726%0.256SS..Hα-helixtrans-68.4-36.3-179.4-61.7-28.7000110.5C163 R165 E171 G172C163-D168 HydrophobicContact CB-CB 3.5Å; R165-D168 PolarHBondContact O-N 2.85Å; R165-D168 VanDerWaalsContact O-N 3.09Å; D168-E171 PolarHBondContact O-N 2.73Å; D168-G172 PolarHBondContact O-N 2.82Å
169D92.7Very high87.9Confident26 Ų2649.6 Ų49.614%0.13924%0.244CC..Hα-helixtrans-67.3-41.7177.3-84.7-22.5000112.8K75 C163 R165 A166 M167 G172 S173K75-D169 IonicContact NZ-OD2 2.81Å; C163-D169 VanDerWaalsContact CA-OD1 3.23Å; C163-D169 WeakPolarHBondContact CA-OD1 3.47Å; C163-D169 WeakPolarHBondContact CB-OD1 3.43Å; C163-D169 PolarHBondContact N-OD1 3.11Å; C163-D169 VanDerWaalsContact O-OD1 3.04Å; C163-D169 VanDerWaalsContact O-OD2 3.1Å; R165-D169 PolarHBondContact O-N 3.28Å; A166-D169 PolarHBondContact O-N 2.99Å; M167-D169 VanDerWaalsContact C-N 3.31Å; M167-D169 PolarHBondContact O-N 2.84Å; D169-G172 PolarHBondContact O-N 3.19Å; D169-S173 WeakPolarHBondContact O-CB 3.16Å; D169-S173 PolarHBondContact O-N 3.45Å; D169-S173 PolarHBondContact O-OG 3.46Å
170I94.4Very high88.8Confident1 Ų146.4 Ų46.41%0.00523%0.228CC..Hα-helixtrans-68.7-33.1172.255.2-173.6000113W18 D20 A37 I39 A166 M167 S173 R174W18-I170 HydrophobicContact CB-CB 4.45Å; D20-I170 HydrophobicContact CB-CG2 3.26Å; D20-I170 VanDerWaalsContact N-CG2 3.31Å; A37-I170 HydrophobicContact CB-CD1 3.75Å; I39-I170 HydrophobicContact CB-CD1 4.29Å; I39-I170 HydrophobicContact CD1-CD1 3.87Å; I39-I170 HydrophobicContact CD1-CG1 3.79Å; I39-I170 HydrophobicContact CG1-CD1 3.68Å; I39-I170 HydrophobicContact CG1-CG1 4.19Å; A166-I170 WeakPolarHBondContact O-CG1 3.32Å; A166-I170 PolarHBondContact O-N 3.27Å; M167-I170 WeakPolarHBondContact O-CG1 3.2Å; M167-I170 HydrophobicContact SD-CD1 3.95Å; M167-I170 HydrophobicContact SD-CG1 4.23Å; I170-S173 PolarHBondContact O-N 3.43Å; I170-R174 PolarHBondContact O-N 3.03Å
171E95.3Very high90.2Very high40 Ų4039 Ų3919%0.18720%0.196CC..Hα-helixtrans-66.7-45174.6-72.6-165.1122.500111.6I39 K52 M167 D168 S173 R174 E175I39-E171 HydrophobicContact CD1-CG 3.44Å; I39-E171 VanDerWaalsContact CD1-CG 3.44Å; K52-E171 VanDerWaalsContact CE-OE1 3.26Å; K52-E171 WeakPolarHBondContact CE-OE1 3.26Å; K52-E171 IonicContact NZ-OE1 3.36Å; K52-E171 PolarHBondContact NZ-OE1 2.56Å; K52-E171 IonicContact NZ-OE2 3.5Å; K52-E171 PolarHBondContact NZ-OE2 2.82Å; M167-E171 WeakPolarHBondContact O-CG 3.47Å; M167-E171 PolarHBondContact O-N 3.12Å; M167-E171 VanDerWaalsContact O-N 3.08Å; D168-E171 PolarHBondContact O-N 2.73Å; E171-S173 VanDerWaalsContact C-N 3.31Å; E171-S173 PolarHBondContact O-N 2.76Å; E171-R174 WeakPolarHBondContact O-CB 3.49Å; E171-R174 PolarHBondContact O-N 3.39Å; E171-R174 IonicContact OE1-NH1 2.8Å; E171-E175 WeakPolarHBondContact O-CG 3.18Å; E171-E175 PolarHBondContact O-N 3.33Å
172G93.4Very high91.4Very high11 Ų1140.8 Ų40.811%0.11320%0.199CC..Hα-helixtrans-59.9-41.1172.700000112.2D168 D169 R174 E175 E176D168-G172 PolarHBondContact O-N 2.82Å; D169-G172 PolarHBondContact O-N 3.19Å; G172-R174 PolarHBondContact O-N 3.16Å; G172-E175 PolarHBondContact O-N 3.17Å; G172-E176 WeakPolarHBondContact O-CB 3.3Å; G172-E176 PolarHBondContact O-N 3.04Å
173S94.2Very high92.5Very high4 Ų439.1 Ų39.13%0.02819%0.189CC..Hα-helixtrans-62.6-40.1175.8-59.70000112.3N119 D169 I170 E171 M177N119-S173 PolarHBondContact ND2-OG 2.88Å; D169-S173 WeakPolarHBondContact O-CB 3.16Å; D169-S173 PolarHBondContact O-N 3.45Å; D169-S173 PolarHBondContact O-OG 3.46Å; I170-S173 PolarHBondContact O-N 3.43Å; E171-S173 VanDerWaalsContact C-N 3.31Å; E171-S173 PolarHBondContact O-N 2.76Å; S173-M177 WeakPolarHBondContact O-CB 3.41Å; S173-M177 PolarHBondContact O-N 2.94Å
174R94.9Very high92.9Very high32 Ų3240.9 Ų40.912%0.12120%0.195CC..Hα-helixtrans-64.2-44.8174.7-170.5-165.679.5-104.2-3.7111.4W18 L47 I170 E171 G172 M177 L178W18-R174 HydrophobicContact CE3-CB 4.43Å; W18-R174 HydrophobicContact CH2-CB 4.35Å; W18-R174 HydrophobicContact CH2-CG 4.42Å; W18-R174 HydrophobicContact CZ2-CG 4.29Å; W18-R174 HydrophobicContact CZ3-CB 4.25Å; L47-R174 HydrophobicContact CB-CG 4.26Å; L47-R174 HydrophobicContact CD1-CG 4.4Å; I170-R174 PolarHBondContact O-N 3.03Å; E171-R174 WeakPolarHBondContact O-CB 3.49Å; E171-R174 PolarHBondContact O-N 3.39Å; E171-R174 IonicContact OE1-NH1 2.8Å; G172-R174 PolarHBondContact O-N 3.16Å; R174-M177 PolarHBondContact O-N 3.25Å; R174-L178 WeakPolarHBondContact O-CG 3.44Å; R174-L178 PolarHBondContact O-N 2.97Å
175E93.6Very high93Very high101 Ų10142.5 Ų42.547%0.47220%0.203SC..Hα-helixtrans-64.4-40.8178-71.8179.5177.600112.4E171 G172 M177 L178 H179E171-E175 WeakPolarHBondContact O-CG 3.18Å; E171-E175 PolarHBondContact O-N 3.33Å; G172-E175 PolarHBondContact O-N 3.17Å; E175-M177 VanDerWaalsContact C-N 3.34Å; E175-L178 PolarHBondContact O-N 3.34Å; E175-H179 PolarHBondContact O-N 2.67Å
176E93.3Very high92.2Very high12 Ų1244 Ų446%0.05622%0.218CC..Hα-helixtrans-61.4-43.6173.4-179176.4-165.400110.7N119 V146 K150 G172 L178 H179 Y180N119-E176 PolarHBondContact ND2-OE2 2.7Å; V146-E176 HydrophobicContact CG1-CB 4.16Å; V146-E176 HydrophobicContact CG1-CG 3.85Å; K150-E176 WeakPolarHBondContact CD-OE1 3.39Å; K150-E176 IonicContact NZ-OE1 2.91Å; K150-E176 PolarHBondContact NZ-OE1 3.31Å; G172-E176 WeakPolarHBondContact O-CB 3.3Å; G172-E176 PolarHBondContact O-N 3.04Å; E176-L178 PolarHBondContact O-N 2.99Å; E176-H179 WeakPolarHBondContact O-CB 3.47Å; E176-H179 PolarHBondContact O-N 2.85Å; E176-Y180 HydrophobicContact CG-CD2 4.01Å; E176-Y180 HydrophobicContact CG-CE2 3.25Å; E176-Y180 VanDerWaalsContact O-CD2 3.28Å; E176-Y180 WeakPolarHBondContact O-CD2 3.37Å; E176-Y180 PolarHBondContact O-N 3.44Å; E176-Y180 PolarHBondContact OE1-OH 3.08Å
177M94Very high91.4Very high17 Ų1750 Ų508%0.08425%0.25CC..Hα-helixtrans-62.6-43.3175.1-171.761.7-176.600112.5W18 L47 V144 V146 F149 S173 R174 E175 H179 Y180 I181W18-M177 HydrophobicContact CH2-CB 3.92Å; W18-M177 HydrophobicContact CH2-CG 4.12Å; L47-M177 HydrophobicContact CD1-CB 3.93Å; L47-M177 HydrophobicContact CD1-CG 3.64Å; V144-M177 HydrophobicContact CG1-CE 4.38Å; V146-M177 HydrophobicContact CG1-CB 4.35Å; V146-M177 HydrophobicContact CG2-CB 4Å; V146-M177 HydrophobicContact CG2-CG 4.45Å; V146-M177 HydrophobicContact CG2-SD 4.38Å; F149-M177 HydrophobicContact CD2-CE 4.11Å; F149-M177 HydrophobicContact CD2-SD 3.82Å; F149-M177 HydrophobicContact CE1-CE 4.24Å; F149-M177 HydrophobicContact CE2-CE 3.68Å; F149-M177 HydrophobicContact CE2-SD 3.99Å; F149-M177 HydrophobicContact CG-SD 4.2Å; F149-M177 HydrophobicContact CZ-CE 3.75Å; S173-M177 WeakPolarHBondContact O-CB 3.41Å; S173-M177 PolarHBondContact O-N 2.94Å; R174-M177 PolarHBondContact O-N 3.25Å; E175-M177 VanDerWaalsContact C-N 3.34Å; M177-H179 VanDerWaalsContact C-N 3.26Å; M177-H179 PolarHBondContact O-N 3.35Å; M177-Y180 PolarHBondContact O-N 3.12Å; M177-Y180 VanDerWaalsContact O-N 3.16Å; M177-I181 HydrophobicContact CE-CD1 4.08Å; M177-I181 HydrophobicContact CE-CG1 4.02Å; M177-I181 HydrophobicContact CG-CD1 3.99Å; M177-I181 HydrophobicContact CG-CG1 4.43Å; M177-I181 VanDerWaalsContact O-CG1 3.3Å; M177-I181 WeakPolarHBondContact O-CG1 3.15Å; M177-I181 PolarHBondContact O-N 3.13Å
178L93.3Very high90Very high58 Ų5850.6 Ų50.630%0.30426%0.255SS..Hα-helixtrans-58.5-39.6173.9-75.7170.9000111.7L47 R174 E175 E176 I181 K182L47-L178 HydrophobicContact CB-CD2 3.98Å; L47-L178 HydrophobicContact CB-CG 4.39Å; L47-L178 HydrophobicContact CD1-CD2 4.11Å; L47-L178 HydrophobicContact CD1-CG 4.13Å; L47-L178 HydrophobicContact CG-CD2 4.15Å; R174-L178 WeakPolarHBondContact O-CG 3.44Å; R174-L178 PolarHBondContact O-N 2.97Å; E175-L178 PolarHBondContact O-N 3.34Å; E176-L178 PolarHBondContact O-N 2.99Å; L178-I181 PolarHBondContact O-N 3.14Å; L178-K182 WeakPolarHBondContact O-CB 3.4Å; L178-K182 PolarHBondContact O-N 3.27Å; L178-K182 VanDerWaalsContact O-N 3.07Å
179H91.8Very high88.1Confident49 Ų4952.5 Ų52.523%0.22727%0.265CS..Hα-helixtrans-63-45.3174.8-176.387.1000111.7L159 E175 E176 M177 K182 H183L159-H179 HydrophobicContact CD1-CB 3.52Å; L159-H179 VanDerWaalsContact CD1-CG 3.41Å; E175-H179 PolarHBondContact O-N 2.67Å; E176-H179 WeakPolarHBondContact O-CB 3.47Å; E176-H179 PolarHBondContact O-N 2.85Å; M177-H179 VanDerWaalsContact C-N 3.26Å; M177-H179 PolarHBondContact O-N 3.35Å; H179-K182 PolarHBondContact O-N 3.22Å; H179-H183 AromaticContact CD2-ND1 3.89Å; H179-H183 AromaticContact CE1-CE1 3.19Å; H179-H183 PolarHBondContact CE1-CE1 3.39Å; H179-H183 AromaticContact CE1-ND1 3.7Å; H179-H183 AromaticContact CG-ND1 3.97Å; H179-H183 AromaticContact ND1-CE1 3.48Å; H179-H183 PolarHBondContact ND1-CE1 2.7Å; H179-H183 AromaticContact ND1-ND1 3.85Å; H179-H183 AromaticContact NE2-CE1 3.62Å; H179-H183 AromaticContact NE2-ND1 3.71Å; H179-H183 PolarHBondContact O-N 3.46Å; H179-H183 PolarHBondContact O-ND1 2.85Å
180Y92.6Very high86.3Confident0 Ų058.1 Ų58.10%030%0.295CS..Hα-helixtrans-64.7-42176.3-64.2-42000112.4V146 F149 K150 C153 L157 E176 M177 K182 H183 L184V146-Y180 HydrophobicContact CG1-CD2 4.22Å; V146-Y180 HydrophobicContact CG1-CE2 4Å; F149-Y180 HydrophobicContact CB-CD2 3.41Å; F149-Y180 VanDerWaalsContact CB-CD2 3.41Å; F149-Y180 HydrophobicContact CB-CE2 3.96Å; F149-Y180 HydrophobicContact CB-CG 3.81Å; F149-Y180 HydrophobicContact CG-CD2 4.44Å; K150-Y180 VanDerWaalsContact CA-CZ 3.49Å; K150-Y180 VanDerWaalsContact CA-OH 3.3Å; K150-Y180 WeakPolarHBondContact CA-OH 3.42Å; K150-Y180 HydrophobicContact CB-CE2 4Å; K150-Y180 VanDerWaalsContact CB-OH 3.32Å; K150-Y180 WeakPolarHBondContact CB-OH 3.22Å; K150-Y180 WeakPolarHBondContact CG-OH 3.24Å; C153-Y180 HydrophobicContact CB-CD1 4.14Å; C153-Y180 HydrophobicContact CB-CE1 3.91Å; L157-Y180 HydrophobicContact CB-CE1 4.23Å; E176-Y180 HydrophobicContact CG-CD2 4.01Å; E176-Y180 HydrophobicContact CG-CE2 3.25Å; E176-Y180 VanDerWaalsContact O-CD2 3.28Å; E176-Y180 WeakPolarHBondContact O-CD2 3.37Å; E176-Y180 PolarHBondContact O-N 3.44Å; E176-Y180 PolarHBondContact OE1-OH 3.08Å; M177-Y180 PolarHBondContact O-N 3.12Å; M177-Y180 VanDerWaalsContact O-N 3.16Å; Y180-K182 VanDerWaalsContact C-N 3.31Å; Y180-K182 PolarHBondContact O-N 2.93Å; Y180-H183 PolarHBondContact O-N 2.8Å; Y180-L184 VanDerWaalsContact O-CB 3.31Å; Y180-L184 WeakPolarHBondContact O-CB 3.49Å; Y180-L184 WeakPolarHBondContact O-CG 3.45Å; Y180-L184 PolarHBondContact O-N 2.78Å
181I92.2Very high83.9Confident17 Ų1761.6 Ų61.69%0.08732%0.32CS..Hα-helixtrans-55.8-49.2176.9-72.8167000110.6P45 L47 M177 L178 H183 F185P45-I181 HydrophobicContact CB-CG2 3.87Å; L47-I181 HydrophobicContact CD1-CD1 3.81Å; L47-I181 HydrophobicContact CG-CD1 4.12Å; M177-I181 HydrophobicContact CE-CD1 4.08Å; M177-I181 HydrophobicContact CE-CG1 4.02Å; M177-I181 HydrophobicContact CG-CD1 3.99Å; M177-I181 HydrophobicContact CG-CG1 4.43Å; M177-I181 VanDerWaalsContact O-CG1 3.3Å; M177-I181 WeakPolarHBondContact O-CG1 3.15Å; M177-I181 PolarHBondContact O-N 3.13Å; L178-I181 PolarHBondContact O-N 3.14Å; I181-H183 VanDerWaalsContact C-N 3.28Å; I181-H183 PolarHBondContact O-N 3.26Å; I181-F185 CarbonylContact O-C 2.97Å; I181-F185 WeakPolarHBondContact O-CA 3.36Å; I181-F185 WeakPolarHBondContact O-CB 3.47Å; I181-F185 PolarHBondContact O-N 3.25Å
182K90.8Very high81.6Confident131 Ų13170 Ų7057%0.5736%0.356SS*.Hα-helixtrans-58.1-36.5-179.3-178.5178.2177.41800113.5L178 H179 Y180L178-K182 WeakPolarHBondContact O-CB 3.4Å; L178-K182 PolarHBondContact O-N 3.27Å; L178-K182 VanDerWaalsContact O-N 3.07Å; H179-K182 PolarHBondContact O-N 3.22Å; Y180-K182 VanDerWaalsContact C-N 3.31Å; Y180-K182 PolarHBondContact O-N 2.93Å
183H90.1Very high81.1Confident86 Ų8672.9 Ų72.940%0.39837%0.368SS..Hα-helixtrans-96.7-32.5-173.7-65.988.5000113.8L157 H179 Y180 I181L157-H183 HydrophobicContact CD1-CB 3.34Å; L157-H183 HydrophobicContact CD2-CB 4.29Å; L157-H183 HydrophobicContact CG-CB 4.46Å; H179-H183 AromaticContact CD2-ND1 3.89Å; H179-H183 AromaticContact CE1-CE1 3.19Å; H179-H183 PolarHBondContact CE1-CE1 3.39Å; H179-H183 AromaticContact CE1-ND1 3.7Å; H179-H183 AromaticContact CG-ND1 3.97Å; H179-H183 AromaticContact ND1-CE1 3.48Å; H179-H183 PolarHBondContact ND1-CE1 2.7Å; H179-H183 AromaticContact ND1-ND1 3.85Å; H179-H183 AromaticContact NE2-CE1 3.62Å; H179-H183 AromaticContact NE2-ND1 3.71Å; H179-H183 PolarHBondContact O-N 3.46Å; H179-H183 PolarHBondContact O-ND1 2.85Å; Y180-H183 PolarHBondContact O-N 2.8Å; I181-H183 VanDerWaalsContact C-N 3.28Å; I181-H183 PolarHBondContact O-N 3.26Å
184L89.3Confident80.4Confident70 Ų7076.5 Ų76.537%0.36639%0.386SS..Hα-helixtrans-86.6-27.4179.3-63.3175000112.3F149 C153 Y180 P186F149-L184 HydrophobicContact CD1-CD1 3.76Å; C153-L184 WeakPolarHBondContact SG-CD2 3.46Å; Y180-L184 VanDerWaalsContact O-CB 3.31Å; Y180-L184 WeakPolarHBondContact O-CB 3.49Å; Y180-L184 WeakPolarHBondContact O-CG 3.45Å; Y180-L184 PolarHBondContact O-N 2.78Å; L184-P186 VanDerWaalsContact C-CD 3.45Å
185F88.2Confident79.6Confident99 Ų9979 Ų7943%0.43440%0.4SS..  trans-128.659.3-177.4-50.2-77.3000111.4F149 I181 N187 T188F149-F185 HydrophobicContact CE1-CE2 4.09Å; F149-F185 HydrophobicContact CE1-CZ 4.38Å; I181-F185 CarbonylContact O-C 2.97Å; I181-F185 WeakPolarHBondContact O-CA 3.36Å; I181-F185 WeakPolarHBondContact O-CB 3.47Å; I181-F185 PolarHBondContact O-N 3.25Å; F185-N187 PolarHBondContact O-N 2.87Å; F185-N187 VanDerWaalsContact O-N 3.08Å; F185-T188 HydrophobicContact CB-CG2 3.62Å; F185-T188 WeakPolarHBondContact O-CB 3.3Å; F185-T188 WeakPolarHBondContact O-CG2 3.49Å; F185-T188 PolarHBondContact O-N 2.9Å; F185-T188 PolarHBondContact O-OG1 3Å
186P77Confident78.7Confident76 Ų7677.7 Ų77.749%0.49440%0.396SS..G310 helixtrans-59.2-29.1-169.723.8-35000114.4L184 T188L184-P186 VanDerWaalsContact C-CD 3.45Å; P186-T188 VanDerWaalsContact C-N 3.25Å; P186-T188 PolarHBondContact O-N 2.82Å
187N78.2Confident77.8Confident125 Ų12581.8 Ų81.867%0.66842%0.417SS*.G310 helixtrans-81.22.8-178.9-60.6-19000113.8F185F185-N187 PolarHBondContact O-N 2.87Å; F185-N187 VanDerWaalsContact O-N 3.08Å
188T66.6Low76.7Confident30 Ų3086.1 Ų86.118%0.18444%0.44CS..G310 helixtrans-76.7-20.6-179.351.80000113.6P45 F185 P186 D190 F192P45-T188 HydrophobicContact CG-CG2 4.23Å; F185-T188 HydrophobicContact CB-CG2 3.62Å; F185-T188 WeakPolarHBondContact O-CB 3.3Å; F185-T188 WeakPolarHBondContact O-CG2 3.49Å; F185-T188 PolarHBondContact O-N 2.9Å; F185-T188 PolarHBondContact O-OG1 3Å; P186-T188 VanDerWaalsContact C-N 3.25Å; P186-T188 PolarHBondContact O-N 2.82Å; T188-D190 VanDerWaalsContact C-N 3.29Å; T188-D190 PolarHBondContact O-N 3.4Å; T188-F192 WeakPolarHBondContact O-CD2 3.37Å
189N54.8Low75.6Confident117 Ų11788.1 Ų88.163%0.62645%0.449SS*.G310 helixtrans-74.9-16.6177-70-33.6000113.6
190D54.8Low74.3Confident145 Ų14591.2 Ų91.278%0.77547%0.466SS*.G310 helixtrans-92.9-2.9-175.8-69-26.2000113.4T188T188-D190 VanDerWaalsContact C-N 3.29Å; T188-D190 PolarHBondContact O-N 3.4Å
191S42.6Very low72.8Confident74 Ų7498.8 Ų98.852%0.51751%0.505SS..  trans-148.356.1-167.268.20000114.9
192F48.9Very low71Confident215 Ų215106.2 Ų106.294%0.94354%0.543SS*.  trans-1470158.6-65.9-73.1000111.2P45 T188P45-F192 HydrophobicContact CG-CD2 4.12Å; P45-F192 HydrophobicContact CG-CE2 3.73Å; P45-F192 HydrophobicContact CG-CZ 4.48Å; T188-F192 WeakPolarHBondContact O-CD2 3.37Å

Retrieved 192 of 192 residues in 249.8 ms (Link to these results)

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