A0A077ZDL3_TRITR Loading...

Large ribosomal subunit protein eL14

AlphaFold DB , UniProt , Accession A0A077ZDL3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 139 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M68.4Low88.1Confident227 Ų22792 Ų92100%1.11853%0.53SS*.  0131.90-67.9-76.1-159.600107.8T3M1-T3 PolarHBondContact O-N 3.41Å
2P75Confident88.7Confident113 Ų11386.5 Ų86.573%0.73449%0.494SS*.  trans-60.8126.5172.525.7-31.1000108.8F4P2-F4 PolarHBondContact O-N 2.83Å
3T86.3Confident89.3Confident130 Ų13079.8 Ų79.880%0.79846%0.456SS*.SBendtrans-61.6-32.6179.336.50000111.9M1M1-T3 PolarHBondContact O-N 3.41Å
4F85.2Confident89.9Confident154 Ų15474.1 Ų74.168%0.67542%0.423SS*.  trans-103.5117.8177.5-55.2-71.2000111.2P2 L7P2-F4 PolarHBondContact O-N 2.83Å; F4-L7 HydrophobicContact CB-CD2 4.02Å
5G88.6Confident90.3Very high74 Ų7470.6 Ų70.676%0.76340%0.4SS*.SBendtrans-84-16.9179.300000114.9
6L92.6Very high90.7Very high70 Ų7066.2 Ų66.237%0.36638%0.375SS..  trans-135.3129.1-178.7-69.7171.2000109.5L56 R58L6-L56 HydrophobicContact CB-CB 4.39Å; L6-L56 HydrophobicContact CB-CD1 4.39Å; L6-L56 HydrophobicContact CD1-CB 4.5Å; L6-R58 HydrophobicContact CD2-CG 3.99Å
7L93.4Very high90.8Very high98 Ų9865.5 Ų65.551%0.51337%0.37SS..  trans-124.3140.5179.1-61.2174.8000109.8F4 Q9 R12F4-L7 HydrophobicContact CB-CD2 4.02Å; L7-Q9 PolarHBondContact O-N 3.07Å; L7-R12 PolarHBondContact O-NE 3.27Å; L7-R12 PolarHBondContact O-NH2 3.43Å
8A94.1Very high90.9Very high42 Ų4267.2 Ų67.235%0.34738%0.379SS..  trans-69.8121.1166.900000108.1I28 F51 L56A8-I28 HydrophobicContact CB-CD1 4.25Å; A8-F51 HydrophobicContact CB-CD1 4.41Å; A8-F51 HydrophobicContact CB-CE1 3.87Å; A8-F51 HydrophobicContact CB-CZ 4.48Å; A8-L56 HydrophobicContact CB-CD1 4.29Å; A8-L56 HydrophobicContact CB-CD2 4.36Å
9Q94Very high90.9Very high49 Ų4965.7 Ų65.723%0.22938%0.38CS..  trans-155.9162.3-17762.6-177.54.700109L7 G11 R12 R60L7-Q9 PolarHBondContact O-N 3.07Å; Q9-G11 PolarHBondContact O-N 3.41Å; Q9-R12 HydrophobicContact CG-CB 4.01Å; Q9-R12 VanDerWaalsContact NE2-NH2 3.17Å; Q9-R12 WeakPolarHBondContact O-CB 2.95Å; Q9-R12 PolarHBondContact O-N 3.47Å; Q9-R60 VanDerWaalsContact NE2-CD 3.35Å
10I95.6Very high90.9Very high55 Ų5572.3 Ų72.328%0.28241%0.407SS..THydrogen-bonded Turntrans-56.6129.4175.7-61.8151000110R12 V29 M63 H65I10-R12 VanDerWaalsContact C-N 3.32Å; I10-R12 PolarHBondContact O-N 3.31Å; I10-V29 WeakPolarHBondContact CG2-O 3.33Å; I10-M63 HydrophobicContact CG2-CG 4.04Å; I10-H65 HydrophobicContact CD1-CB 3.78Å; I10-H65 HydrophobicContact CG1-CB 4.24Å; I10-H65 HydrophobicContact CG2-CB 4.47Å
11G95.5Very high90.9Very high0 Ų069.9 Ų69.90%039%0.393CS..THydrogen-bonded Turntrans80.7-0.2-176.700000115.5Q9 I13 I28 R60 L61 M63Q9-G11 PolarHBondContact O-N 3.41Å; G11-I13 PolarHBondContact O-N 2.78Å; G11-I28 PolarHBondContact N-O 3.43Å; G11-R60 CarbonylContact O-C 3.58Å; G11-R60 WeakPolarHBondContact O-CA 3.39Å; G11-L61 WeakPolarHBondContact CA-O 3.43Å; G11-L61 WeakPolarHBondContact O-CB 3.41Å; G11-L61 PolarHBondContact O-N 3.27Å; G11-M63 VanDerWaalsContact CA-CG 3.46Å; G11-M63 VanDerWaalsContact CA-SD 3.57Å
12R96.3Very high92.1Very high26 Ų2665.5 Ų65.510%0.09837%0.368CS..EExtended strand (participates in β ladder)trans-65.9128.5175.2-179.468.171.2-177.94.8109.8L7 Q9 I10 I28 L56 T57 R58L7-R12 PolarHBondContact O-NE 3.27Å; L7-R12 PolarHBondContact O-NH2 3.43Å; Q9-R12 HydrophobicContact CG-CB 4.01Å; Q9-R12 VanDerWaalsContact NE2-NH2 3.17Å; Q9-R12 WeakPolarHBondContact O-CB 2.95Å; Q9-R12 PolarHBondContact O-N 3.47Å; I10-R12 VanDerWaalsContact C-N 3.32Å; I10-R12 PolarHBondContact O-N 3.31Å; R12-I28 HydrophobicContact CB-CD1 4.26Å; R12-I28 PolarHBondContact O-N 3.32Å; R12-L56 HydrophobicContact CG-CD2 4.08Å; R12-T57 WeakPolarHBondContact CD-O 3.48Å; R12-T57 PolarHBondContact NH1-O 3.2Å; R12-R58 PolarHBondContact NH1-O 3.5Å
13I96.5Very high93Very high0 Ų061.9 Ų61.90%035%0.351CS..EExtended strand (participates in β ladder)trans-82.6133.6175.1-67.1148.4000108.7G11 L25 C26 T57 L59 W76 I81G11-I13 PolarHBondContact O-N 2.78Å; I13-L25 HydrophobicContact CG2-CD2 4.22Å; I13-C26 CarbonylContact C-O 3.52Å; I13-C26 WeakPolarHBondContact CA-O 3.49Å; I13-T57 HydrophobicContact CG2-CG2 4.46Å; I13-T57 WeakPolarHBondContact O-CB 3.23Å; I13-T57 PolarHBondContact O-N 3.02Å; I13-T57 PolarHBondContact O-OG1 3.01Å; I13-L59 HydrophobicContact CB-CB 4.08Å; I13-L59 HydrophobicContact CD1-CB 3.48Å; I13-L59 VanDerWaalsContact CD1-CB 3.48Å; I13-L59 HydrophobicContact CG1-CB 4.39Å; I13-L59 PolarHBondContact N-O 3.47Å; I13-L59 VanDerWaalsContact N-O 3.16Å; I13-W76 HydrophobicContact CG1-CH2 4.15Å; I13-W76 HydrophobicContact CG1-CZ3 4Å; I13-W76 HydrophobicContact CG2-CH2 4.03Å; I13-I81 HydrophobicContact CD1-CB 4.23Å; I13-I81 HydrophobicContact CD1-CD1 3.52Å; I13-I81 HydrophobicContact CD1-CG1 3.8Å; I13-I81 HydrophobicContact CD1-CG2 3.39Å; I13-I81 HydrophobicContact CG1-CG2 4.2Å; I13-I81 HydrophobicContact CG2-CG2 4.48Å
14C96.7Very high93.4Very high0 Ų058.4 Ų58.40%032%0.324CS..EExtended strand (participates in β ladder)trans-124.8150.9-178.6-54.70000109.7L25 C26 I28 L54 Y55 L56C14-L25 WeakPolarHBondContact O-CA 3.42Å; C14-C26 PolarHBondContact N-O 2.96Å; C14-C26 PolarHBondContact O-N 2.97Å; C14-I28 WeakPolarHBondContact SG-CD1 3.43Å; C14-L54 HydrophobicContact CB-CB 4.18Å; C14-L54 HydrophobicContact CB-CD2 4.22Å; C14-Y55 CarbonylContact C-O 3.48Å; C14-Y55 VanDerWaalsContact CA-O 3.23Å; C14-Y55 WeakPolarHBondContact CA-O 3.3Å; C14-L56 WeakPolarHBondContact SG-CD2 3.41Å
15Y96.2Very high93.9Very high21 Ų2152 Ų528%0.08230%0.297CS..EExtended strand (participates in β ladder)trans-102.5130.1170.9176.1-91.9000108.7N17 G23 L25 Y55 W85 W90Y15-N17 PolarHBondContact O-N 2.99Å; Y15-G23 VanDerWaalsContact CE2-O 3.3Å; Y15-G23 WeakPolarHBondContact CE2-O 3.34Å; Y15-G23 WeakPolarHBondContact OH-CA 3.37Å; Y15-L25 HydrophobicContact CD2-CD2 4.21Å; Y15-Y55 HydrophobicContact CD1-CD2 4.23Å; Y15-Y55 PolarHBondContact N-O 3.16Å; Y15-Y55 PolarHBondContact O-N 3Å; Y15-W85 HydrophobicContact CD2-CH2 4.13Å; Y15-W85 AromaticContact CD2-CZ2 3.77Å; Y15-W85 HydrophobicContact CD2-CZ2 3.77Å; Y15-W85 HydrophobicContact CE2-CZ2 4.26Å; Y15-W85 HydrophobicContact CG-CH2 4.47Å; Y15-W90 HydrophobicContact CD1-CZ2 4.17Å; Y15-W90 HydrophobicContact CG-CZ2 4.47Å
16I96.3Very high94.3Very high0 Ų048.5 Ų48.50%026%0.261CS..EExtended strand (participates in β ladder)trans-82.7117.3179-59.7-176.9000109D18 D21 G23 K24 C26 I39 I44 L54I16-D18 VanDerWaalsContact CG2-O 3.25Å; I16-D18 WeakPolarHBondContact CG2-O 3.43Å; I16-D21 WeakPolarHBondContact CB-O 3.5Å; I16-D21 HydrophobicContact CD1-CB 3.79Å; I16-D21 HydrophobicContact CG2-CB 4.37Å; I16-G23 PolarHBondContact O-N 2.9Å; I16-K24 PolarHBondContact N-O 2.98Å; I16-C26 HydrophobicContact CD1-CB 4.43Å; I16-I39 HydrophobicContact CD1-CD1 3.98Å; I16-I44 HydrophobicContact CD1-CD1 3.43Å; I16-I44 VanDerWaalsContact CD1-CD1 3.43Å; I16-I44 HydrophobicContact CD1-CG1 4.44Å; I16-I44 HydrophobicContact CG1-CD1 4.47Å; I16-L54 HydrophobicContact CG1-CD2 3.87Å
17N93.7Very high94.4Very high54 Ų5445.1 Ų45.129%0.28924%0.243SC..  trans-87.4-24.5-178.9-173.755000113.1Y15 K22 S53 Y55Y15-N17 PolarHBondContact O-N 2.99Å; N17-K22 VanDerWaalsContact O-CD 3.28Å; N17-K22 WeakPolarHBondContact O-CD 3.45Å; N17-K22 VanDerWaalsContact O-CE 3.28Å; N17-K22 WeakPolarHBondContact O-CE 3.45Å; N17-K22 WeakPolarHBondContact O-CG 3.46Å; N17-S53 PolarHBondContact N-O 3.46Å; N17-Y55 HydrophobicContact CB-CD2 3.96Å; N17-Y55 HydrophobicContact CB-CE1 4.29Å; N17-Y55 HydrophobicContact CB-CE2 3.69Å; N17-Y55 HydrophobicContact CB-CG 4.4Å; N17-Y55 PolarHBondContact ND2-OH 3.49Å; N17-Y55 WeakPolarHBondContact OD1-CE2 3.35Å
18D92.2Very high94.6Very high97 Ų9740.5 Ų40.552%0.51922%0.219SC..SBendtrans-144.3153.3-168.5-165.323.2000114.2I16 K49I16-D18 VanDerWaalsContact CG2-O 3.25Å; I16-D18 WeakPolarHBondContact CG2-O 3.43Å; D18-K49 PolarHBondContact O-NZ 3.47Å; D18-K49 VanDerWaalsContact O-NZ 3.08Å
19G90.2Very high94.7Very high39 Ų3938.5 Ų38.540%0.40220%0.203SC..SBendtrans87.7-168.1-175.400000114.3D21 K22G19-D21 PolarHBondContact O-N 3.03Å; G19-K22 VanDerWaalsContact O-CB 3.25Å; G19-K22 WeakPolarHBondContact O-CB 3.24Å; G19-K22 PolarHBondContact O-N 3.32Å; G19-K22 VanDerWaalsContact O-N 3.11Å
20E90.8Very high94.8Very high196 Ų19639.2 Ų39.292%0.91621%0.208SC*.THydrogen-bonded Turntrans-60-32.8-174.9-62.5175-17400113.3K22E20-K22 VanDerWaalsContact C-N 3.31Å; E20-K22 PolarHBondContact O-N 3.23Å
21D92.4Very high94.8Very high23 Ų2340 Ų4012%0.12321%0.212CC..THydrogen-bonded Turntrans-91.419.4179.6-68.2-49.3000113.8I16 G19 G23 K24 I44 Q47I16-D21 WeakPolarHBondContact CB-O 3.5Å; I16-D21 HydrophobicContact CD1-CB 3.79Å; I16-D21 HydrophobicContact CG2-CB 4.37Å; G19-D21 PolarHBondContact O-N 3.03Å; D21-G23 PolarHBondContact O-N 3.38Å; D21-K24 HydrophobicContact CB-CD 4.05Å; D21-K24 WeakPolarHBondContact O-CB 3.3Å; D21-K24 WeakPolarHBondContact O-CG 3.16Å; D21-K24 PolarHBondContact O-N 2.92Å; D21-K24 IonicContact OD1-NZ 3.16Å; D21-K24 PolarHBondContact OD1-NZ 3.32Å; D21-I44 HydrophobicContact CB-CG1 4.29Å; D21-Q47 PolarHBondContact OD2-NE2 3.43Å
22K93.4Very high94.8Very high135 Ų13544.4 Ų44.459%0.58724%0.235SC*.THydrogen-bonded Turntrans-56.6132.7179.3178173.7-175.5175.60111.3N17 G19 E20N17-K22 VanDerWaalsContact O-CD 3.28Å; N17-K22 WeakPolarHBondContact O-CD 3.45Å; N17-K22 VanDerWaalsContact O-CE 3.28Å; N17-K22 WeakPolarHBondContact O-CE 3.45Å; N17-K22 WeakPolarHBondContact O-CG 3.46Å; G19-K22 VanDerWaalsContact O-CB 3.25Å; G19-K22 WeakPolarHBondContact O-CB 3.24Å; G19-K22 PolarHBondContact O-N 3.32Å; G19-K22 VanDerWaalsContact O-N 3.11Å; E20-K22 VanDerWaalsContact C-N 3.31Å; E20-K22 PolarHBondContact O-N 3.23Å
23G93.1Very high94.7Very high36 Ų3646.6 Ų46.637%0.37125%0.248SC..THydrogen-bonded Turntrans96-14.2-179.600000114.6Y15 I16 D21Y15-G23 VanDerWaalsContact CE2-O 3.3Å; Y15-G23 WeakPolarHBondContact CE2-O 3.34Å; Y15-G23 WeakPolarHBondContact OH-CA 3.37Å; I16-G23 PolarHBondContact O-N 2.9Å; D21-G23 PolarHBondContact O-N 3.38Å
24K94.9Very high94.6Very high57 Ų5750 Ų5025%0.24828%0.284CS..  trans-88.2156.9-177.1-59.2-177.3-178.1170.50112I16 D21 E43 I44I16-K24 PolarHBondContact N-O 2.98Å; D21-K24 HydrophobicContact CB-CD 4.05Å; D21-K24 WeakPolarHBondContact O-CB 3.3Å; D21-K24 WeakPolarHBondContact O-CG 3.16Å; D21-K24 PolarHBondContact O-N 2.92Å; D21-K24 IonicContact OD1-NZ 3.16Å; D21-K24 PolarHBondContact OD1-NZ 3.32Å; K24-E43 HydrophobicContact CD-CB 3.91Å; K24-E43 WeakPolarHBondContact CD-OE2 3.41Å; K24-E43 WeakPolarHBondContact CG-OE2 3.3Å; K24-E43 PolarHBondContact NZ-O 3.47Å; K24-I44 HydrophobicContact CB-CD1 3.72Å; K24-I44 HydrophobicContact CB-CG1 4.14Å; K24-I44 HydrophobicContact CD-CD1 4.3Å; K24-I44 HydrophobicContact CD-CG1 3.79Å
25L95.8Very high94.6Very high20 Ų2054.4 Ų54.411%0.10531%0.307CS..EExtended strand (participates in β ladder)trans-97.5141.4173.8-66175000111I13 C14 Y15 I44 W76 W85I13-L25 HydrophobicContact CG2-CD2 4.22Å; C14-L25 WeakPolarHBondContact O-CA 3.42Å; Y15-L25 HydrophobicContact CD2-CD2 4.21Å; L25-I44 WeakPolarHBondContact O-CD1 3.39Å; L25-W76 HydrophobicContact CB-CH2 3.82Å; L25-W76 HydrophobicContact CB-CZ2 3.82Å; L25-W76 HydrophobicContact CD1-CZ2 4.23Å; L25-W85 HydrophobicContact CD1-CB 3.78Å; L25-W85 HydrophobicContact CD1-CD2 3.94Å; L25-W85 HydrophobicContact CD1-CG 3.5Å; L25-W85 HydrophobicContact CD2-CD2 3.86Å; L25-W85 HydrophobicContact CD2-CE3 4.09Å; L25-W85 HydrophobicContact CD2-CG 4.34Å; L25-W85 HydrophobicContact CD2-CH2 4.28Å; L25-W85 HydrophobicContact CD2-CZ2 4.06Å; L25-W85 HydrophobicContact CD2-CZ3 4.31Å; L25-W85 HydrophobicContact CG-CD2 4.42Å; L25-W85 HydrophobicContact CG-CG 4.41Å
26C95.7Very high94.6Very high0 Ų057.2 Ų57.20%032%0.32CS..EExtended strand (participates in β ladder)trans-138155.8174.463.30000111.4I13 C14 I16 I39 I44I13-C26 CarbonylContact C-O 3.52Å; I13-C26 WeakPolarHBondContact CA-O 3.49Å; C14-C26 PolarHBondContact N-O 2.96Å; C14-C26 PolarHBondContact O-N 2.97Å; I16-C26 HydrophobicContact CD1-CB 4.43Å; C26-I39 HydrophobicContact CB-CB 4.08Å; C26-I39 HydrophobicContact CB-CD1 4.36Å; C26-I39 HydrophobicContact CB-CG2 4.49Å; C26-I44 HydrophobicContact CB-CD1 3.8Å
27A96.6Very high94.6Very high0 Ų057.2 Ų57.20%032%0.32CS..EExtended strand (participates in β ladder)trans-98.6140.8166.400000110V29 I39 D40 L61 M63 W76A27-V29 PolarHBondContact O-N 2.9Å; A27-I39 VanDerWaalsContact O-CA 3.31Å; A27-I39 WeakPolarHBondContact O-CA 3.32Å; A27-D40 PolarHBondContact N-O 3.18Å; A27-D40 PolarHBondContact O-N 3.37Å; A27-L61 HydrophobicContact CB-CD2 4.42Å; A27-M63 HydrophobicContact CB-SD 4.36Å; A27-W76 HydrophobicContact CB-CE3 4.38Å; A27-W76 HydrophobicContact CB-CZ3 3.87Å
28I96.9Very high94.7Very high0 Ų056.8 Ų56.80%032%0.317CS..EExtended strand (participates in β ladder)trans-73.6114.5165.4-65.9170.7000107.8A8 G11 R12 C14 I31 A37 I39 F51 L56A8-I28 HydrophobicContact CB-CD1 4.25Å; G11-I28 PolarHBondContact N-O 3.43Å; R12-I28 HydrophobicContact CB-CD1 4.26Å; R12-I28 PolarHBondContact O-N 3.32Å; C14-I28 WeakPolarHBondContact SG-CD1 3.43Å; I28-I31 HydrophobicContact CG2-CG1 4.35Å; I28-A37 HydrophobicContact CG1-CB 4.29Å; I28-A37 HydrophobicContact CG2-CB 4.2Å; I28-I39 HydrophobicContact CG1-CG2 4.49Å; I28-F51 HydrophobicContact CD1-CE1 4.1Å; I28-L56 HydrophobicContact CD1-CD2 4.1Å
29V96.2Very high94.9Very high1 Ų152.2 Ų52.21%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-85.2-50.9176.3-178.40000110I10 A27 L38 D40 M63I10-V29 WeakPolarHBondContact CG2-O 3.33Å; A27-V29 PolarHBondContact O-N 2.9Å; V29-L38 HydrophobicContact CB-CG 4.5Å; V29-L38 PolarHBondContact N-O 3.48Å; V29-D40 HydrophobicContact CG2-CB 3.39Å; V29-M63 HydrophobicContact CB-CE 4.07Å; V29-M63 HydrophobicContact CG1-CE 3.83Å; V29-M63 HydrophobicContact CG2-CE 4.02Å
30N95.6Very high95.2Very high63 Ų6350.3 Ų50.334%0.33727%0.273SS..EExtended strand (participates in β ladder)trans-143.4159.6179.6-159.66000110.4L38N30-L38 HydrophobicContact CB-CB 4.11Å; N30-L38 HydrophobicContact CB-CD2 4.26Å; N30-L38 PolarHBondContact N-O 3.47Å; N30-L38 PolarHBondContact O-N 3.27Å
31I95.4Very high95.3Very high73 Ų7341.2 Ų41.237%0.37423%0.232SC..EExtended strand (participates in β ladder)trans-102.3121173.1-59.6177000106.1I28 D33 F51I28-I31 HydrophobicContact CG2-CG1 4.35Å; I31-D33 VanDerWaalsContact CG2-O 3.31Å; I31-D33 WeakPolarHBondContact CG2-O 3.3Å; I31-F51 HydrophobicContact CG1-CZ 4.21Å; I31-F51 HydrophobicContact CG2-CE2 4.2Å; I31-F51 HydrophobicContact CG2-CZ 3.99Å
32I95.3Very high95.3Very high92 Ų9243.1 Ų43.147%0.47225%0.246SC..  trans-82.7-53.9-176.7-60.2170.9000108.7F36 L38 A48I32-F36 HydrophobicContact CB-CB 4.23Å; I32-F36 HydrophobicContact CD1-CB 4.36Å; I32-F36 PolarHBondContact N-O 3.05Å; I32-L38 HydrophobicContact CD1-CB 4.25Å; I32-L38 HydrophobicContact CG1-CB 4.22Å; I32-A48 HydrophobicContact CD1-CB 3.59Å
33D95Very high95.2Very high72 Ų7243.2 Ų43.239%0.38525%0.248SC..SBendtrans-147.5-171.3177.464.530.3000109.6I31 N35 F36I31-D33 VanDerWaalsContact CG2-O 3.31Å; I31-D33 WeakPolarHBondContact CG2-O 3.3Å; D33-N35 PolarHBondContact O-N 3.22Å; D33-N35 VanDerWaalsContact O-N 3.15Å; D33-N35 WeakPolarHBondContact OD1-CA 3.5Å; D33-N35 PolarHBondContact OD1-N 2.89Å; D33-F36 PolarHBondContact N-O 3.35Å; D33-F36 WeakPolarHBondContact OD1-CD2 3.24Å; D33-F36 PolarHBondContact OD1-N 3.46Å
34G94.7Very high95.2Very high72 Ų7241.7 Ų41.774%0.74223%0.232SC*.SBendtrans-63.8-16.1179.700000115
35N95.9Very high95.1Very high91 Ų9147.8 Ų47.849%0.48726%0.258SS..SBendtrans-113.7-25.5-175.2-68.6-42.8000113.5D33 N50 F51D33-N35 PolarHBondContact O-N 3.22Å; D33-N35 VanDerWaalsContact O-N 3.15Å; D33-N35 WeakPolarHBondContact OD1-CA 3.5Å; D33-N35 PolarHBondContact OD1-N 2.89Å; N35-N50 CarbonylContact O-C 3.51Å; N35-N50 VanDerWaalsContact O-CA 3.26Å; N35-N50 WeakPolarHBondContact O-CA 3.42Å; N35-N50 PolarHBondContact O-OD1 3.04Å; N35-F51 VanDerWaalsContact O-CD2 3.25Å; N35-F51 WeakPolarHBondContact O-CD2 3.47Å; N35-F51 PolarHBondContact O-N 2.96Å
36F96.7Very high95.1Very high81 Ų8151.1 Ų51.136%0.35527%0.269SS..EExtended strand (participates in β ladder)trans-120.3137.5-171.9-69.9-88.3000112.5I32 D33 K49 N50I32-F36 HydrophobicContact CB-CB 4.23Å; I32-F36 HydrophobicContact CD1-CB 4.36Å; I32-F36 PolarHBondContact N-O 3.05Å; D33-F36 PolarHBondContact N-O 3.35Å; D33-F36 WeakPolarHBondContact OD1-CD2 3.24Å; D33-F36 PolarHBondContact OD1-N 3.46Å; F36-K49 WeakPolarHBondContact CA-O 3.39Å; F36-N50 HydrophobicContact CD1-CB 4.2Å; F36-N50 HydrophobicContact CE1-CB 3.99Å
37A96.3Very high95Very high0 Ų054.5 Ų54.50%029%0.285CS..EExtended strand (participates in β ladder)trans-114.4146.1168.700000110.9I28 I39 A48 K49 F51 L54I28-A37 HydrophobicContact CG1-CB 4.29Å; I28-A37 HydrophobicContact CG2-CB 4.2Å; A37-I39 HydrophobicContact CB-CG2 4.34Å; A37-A48 CarbonylContact O-C 3.59Å; A37-A48 WeakPolarHBondContact O-CA 3.22Å; A37-K49 PolarHBondContact N-O 3Å; A37-K49 PolarHBondContact O-N 3.43Å; A37-F51 HydrophobicContact CB-CD1 4.24Å; A37-F51 HydrophobicContact CB-CE1 3.56Å; A37-F51 HydrophobicContact CB-CE2 4.46Å; A37-F51 HydrophobicContact CB-CZ 3.68Å; A37-L54 HydrophobicContact CB-CD1 4.37Å
38L96.2Very high95Very high45 Ų4557.2 Ų57.224%0.23631%0.307CS..EExtended strand (participates in β ladder)trans-80.9114.2163.7-172.965.5000108.2V29 N30 I32 R46V29-L38 HydrophobicContact CB-CG 4.5Å; V29-L38 PolarHBondContact N-O 3.48Å; N30-L38 HydrophobicContact CB-CB 4.11Å; N30-L38 HydrophobicContact CB-CD2 4.26Å; N30-L38 PolarHBondContact N-O 3.47Å; N30-L38 PolarHBondContact O-N 3.27Å; I32-L38 HydrophobicContact CD1-CB 4.25Å; I32-L38 HydrophobicContact CG1-CB 4.22Å; L38-R46 HydrophobicContact CD1-CG 3.81Å; L38-R46 HydrophobicContact CD2-CG 4.42Å; L38-R46 HydrophobicContact CG-CG 4.09Å
39I95.7Very high94.9Very high0 Ų058.9 Ų58.90%032%0.315CS..EExtended strand (participates in β ladder)trans-109.1150.6-178.153.9161.3000111.4I16 C26 A27 I28 A37 I44 R46 Q47 K49 L54I16-I39 HydrophobicContact CD1-CD1 3.98Å; C26-I39 HydrophobicContact CB-CB 4.08Å; C26-I39 HydrophobicContact CB-CD1 4.36Å; C26-I39 HydrophobicContact CB-CG2 4.49Å; A27-I39 VanDerWaalsContact O-CA 3.31Å; A27-I39 WeakPolarHBondContact O-CA 3.32Å; I28-I39 HydrophobicContact CG1-CG2 4.49Å; A37-I39 HydrophobicContact CB-CG2 4.34Å; I39-I44 HydrophobicContact CD1-CG2 4.45Å; I39-R46 VanDerWaalsContact O-CA 3.28Å; I39-R46 WeakPolarHBondContact O-CA 3.43Å; I39-Q47 HydrophobicContact CD1-CG 4.06Å; I39-Q47 HydrophobicContact CG1-CG 3.95Å; I39-Q47 WeakPolarHBondContact CG1-O 3.4Å; I39-Q47 PolarHBondContact N-O 2.98Å; I39-Q47 PolarHBondContact O-N 3.33Å; I39-Q47 VanDerWaalsContact O-N 3.09Å; I39-K49 HydrophobicContact CD1-CB 3.46Å; I39-K49 VanDerWaalsContact CD1-CB 3.46Å; I39-K49 HydrophobicContact CD1-CD 4.5Å; I39-K49 HydrophobicContact CD1-CG 3.95Å; I39-K49 HydrophobicContact CG1-CB 3.8Å; I39-K49 HydrophobicContact CG2-CB 4.49Å; I39-L54 HydrophobicContact CG2-CD1 3.9Å; I39-L54 HydrophobicContact CG2-CD2 4.49Å
40D95.9Very high94.9Very high0 Ų060.7 Ų60.70%032%0.324CS..EExtended strand (participates in β ladder)trans-148.8150.8177.8-159.2-2.6000110.1A27 V29 R46 T69A27-D40 PolarHBondContact N-O 3.18Å; A27-D40 PolarHBondContact O-N 3.37Å; V29-D40 HydrophobicContact CG2-CB 3.39Å; D40-R46 HydrophobicContact CB-CB 4.48Å; D40-R46 IonicContact OD2-CZ 2.67Å; D40-R46 IonicContact OD2-NE 2.76Å; D40-R46 PolarHBondContact OD2-NE 3.14Å; D40-R46 IonicContact OD2-NH2 3.4Å; D40-R46 PolarHBondContact OD2-NH2 2.84Å; D40-T69 WeakPolarHBondContact OD1-CG2 3.25Å; D40-T69 WeakPolarHBondContact OD2-CA 3.47Å; D40-T69 WeakPolarHBondContact OD2-CB 3.35Å; D40-T69 WeakPolarHBondContact OD2-CG2 3.41Å; D40-T69 PolarHBondContact OD2-OG1 2.76Å
41G93.6Very high94.9Very high4 Ų459.8 Ų59.84%0.04132%0.317CS..  trans-170.9173-17600000113.6E43 I44G41-E43 PolarHBondContact O-N 3.22Å; G41-I44 PolarHBondContact N-O 3.07Å
42P92.5Very high94.9Very high64 Ų6464.6 Ų64.642%0.41634%0.335SS..SBendtrans-64.3-36.6-178.825-33.1000113.7L73 W76P42-L73 VanDerWaalsContact CA-CD2 3.47Å; P42-L73 HydrophobicContact CB-CD2 4.1Å; P42-W76 HydrophobicContact CG-CZ2 4.45Å
43E90.9Very high94.8Very high136 Ų13661.2 Ų61.264%0.63632%0.32SS*.SBendtrans-104.5-0.2-178.1-63.9-177-17800113.6K24 G41K24-E43 HydrophobicContact CD-CB 3.91Å; K24-E43 WeakPolarHBondContact CD-OE2 3.41Å; K24-E43 WeakPolarHBondContact CG-OE2 3.3Å; K24-E43 PolarHBondContact NZ-O 3.47Å; G41-E43 PolarHBondContact O-N 3.22Å
44I93Very high94.9Very high5 Ų558.2 Ų58.23%0.02630%0.304CS..SBendtrans-127.4122.1-171.5-60.6159.2000108.1I16 D21 K24 L25 C26 I39 G41 Q47I16-I44 HydrophobicContact CD1-CD1 3.43Å; I16-I44 VanDerWaalsContact CD1-CD1 3.43Å; I16-I44 HydrophobicContact CD1-CG1 4.44Å; I16-I44 HydrophobicContact CG1-CD1 4.47Å; D21-I44 HydrophobicContact CB-CG1 4.29Å; K24-I44 HydrophobicContact CB-CD1 3.72Å; K24-I44 HydrophobicContact CB-CG1 4.14Å; K24-I44 HydrophobicContact CD-CD1 4.3Å; K24-I44 HydrophobicContact CD-CG1 3.79Å; L25-I44 WeakPolarHBondContact O-CD1 3.39Å; C26-I44 HydrophobicContact CB-CD1 3.8Å; I39-I44 HydrophobicContact CD1-CG2 4.45Å; G41-I44 PolarHBondContact N-O 3.07Å; I44-Q47 HydrophobicContact CG2-CG 4.33Å
45K93.2Very high94.9Very high185 Ų18559.7 Ų59.780%0.80429%0.288SS*.  trans-67.7147.6171.3-67.2-178.6-178.8175.90109.6Q47K45-Q47 WeakPolarHBondContact O-CG 3.28Å; K45-Q47 PolarHBondContact O-N 3.28Å; K45-Q47 VanDerWaalsContact O-N 3.11Å
46R95.1Very high94.9Very high90 Ų9057.6 Ų57.634%0.3428%0.276SS..SBendtrans-53.5118.2178.1-175.4173.1-67.8-160.4-8.2111L38 I39 D40 D67 T69L38-R46 HydrophobicContact CD1-CG 3.81Å; L38-R46 HydrophobicContact CD2-CG 4.42Å; L38-R46 HydrophobicContact CG-CG 4.09Å; I39-R46 VanDerWaalsContact O-CA 3.28Å; I39-R46 WeakPolarHBondContact O-CA 3.43Å; D40-R46 HydrophobicContact CB-CB 4.48Å; D40-R46 IonicContact OD2-CZ 2.67Å; D40-R46 IonicContact OD2-NE 2.76Å; D40-R46 PolarHBondContact OD2-NE 3.14Å; D40-R46 IonicContact OD2-NH2 3.4Å; D40-R46 PolarHBondContact OD2-NH2 2.84Å; R46-D67 PolarHBondContact NH1-O 3.36Å; R46-D67 PolarHBondContact NH2-O 2.93Å; R46-T69 PolarHBondContact NE-OG1 3.21Å; R46-T69 PolarHBondContact NH2-OG1 3.02Å
47Q94.9Very high94.9Very high71 Ų7154 Ų5433%0.33226%0.261SS..EExtended strand (participates in β ladder)trans-151.3162-175.964.6-179.3-33.800111.7D21 I39 I44 K45D21-Q47 PolarHBondContact OD2-NE2 3.43Å; I39-Q47 HydrophobicContact CD1-CG 4.06Å; I39-Q47 HydrophobicContact CG1-CG 3.95Å; I39-Q47 WeakPolarHBondContact CG1-O 3.4Å; I39-Q47 PolarHBondContact N-O 2.98Å; I39-Q47 PolarHBondContact O-N 3.33Å; I39-Q47 VanDerWaalsContact O-N 3.09Å; I44-Q47 HydrophobicContact CG2-CG 4.33Å; K45-Q47 WeakPolarHBondContact O-CG 3.28Å; K45-Q47 PolarHBondContact O-N 3.28Å; K45-Q47 VanDerWaalsContact O-N 3.11Å
48A96Very high94.7Very high56 Ų5664.6 Ų64.646%0.46330%0.301SS..EExtended strand (participates in β ladder)trans-81.7135.8171.600000110.3I32 A37I32-A48 HydrophobicContact CD1-CB 3.59Å; A37-A48 CarbonylContact O-C 3.59Å; A37-A48 WeakPolarHBondContact O-CA 3.22Å
49K95.5Very high94.7Very high36 Ų3664 Ų6416%0.15730%0.298CS..EExtended strand (participates in β ladder)trans-139.4141.4176.5-163.674.3173.6-172.30110.5D18 F36 A37 I39 L54D18-K49 PolarHBondContact O-NZ 3.47Å; D18-K49 VanDerWaalsContact O-NZ 3.08Å; F36-K49 WeakPolarHBondContact CA-O 3.39Å; A37-K49 PolarHBondContact N-O 3Å; A37-K49 PolarHBondContact O-N 3.43Å; I39-K49 HydrophobicContact CD1-CB 3.46Å; I39-K49 VanDerWaalsContact CD1-CB 3.46Å; I39-K49 HydrophobicContact CD1-CD 4.5Å; I39-K49 HydrophobicContact CD1-CG 3.95Å; I39-K49 HydrophobicContact CG1-CB 3.8Å; I39-K49 HydrophobicContact CG2-CB 4.49Å; K49-L54 HydrophobicContact CG-CD2 4.09Å; K49-L54 HydrophobicContact CG-CG 4.31Å
50N95.9Very high94.6Very high39 Ų3970.4 Ų70.421%0.20932%0.322CS..EExtended strand (participates in β ladder)trans-69.7137.3176.9-167.6-55.2000110.6N35 F36 K52 S53N35-N50 CarbonylContact O-C 3.51Å; N35-N50 VanDerWaalsContact O-CA 3.26Å; N35-N50 WeakPolarHBondContact O-CA 3.42Å; N35-N50 PolarHBondContact O-OD1 3.04Å; F36-N50 HydrophobicContact CD1-CB 4.2Å; F36-N50 HydrophobicContact CE1-CB 3.99Å; N50-K52 PolarHBondContact O-N 3.16Å; N50-K52 WeakPolarHBondContact OD1-CB 3.45Å; N50-K52 WeakPolarHBondContact OD1-CG 3.49Å; N50-K52 PolarHBondContact OD1-N 3.16Å; N50-S53 PolarHBondContact O-N 3.32Å
51F95.6Very high94.5Very high44 Ų4470.4 Ų70.419%0.19332%0.322CS..G310 helixtrans-56.2-30.5175.9-73.9-63.6000113.1A8 I28 I31 N35 A37 S53 L54A8-F51 HydrophobicContact CB-CD1 4.41Å; A8-F51 HydrophobicContact CB-CE1 3.87Å; A8-F51 HydrophobicContact CB-CZ 4.48Å; I28-F51 HydrophobicContact CD1-CE1 4.1Å; I31-F51 HydrophobicContact CG1-CZ 4.21Å; I31-F51 HydrophobicContact CG2-CE2 4.2Å; I31-F51 HydrophobicContact CG2-CZ 3.99Å; N35-F51 VanDerWaalsContact O-CD2 3.25Å; N35-F51 WeakPolarHBondContact O-CD2 3.47Å; N35-F51 PolarHBondContact O-N 2.96Å; A37-F51 HydrophobicContact CB-CD1 4.24Å; A37-F51 HydrophobicContact CB-CE1 3.56Å; A37-F51 HydrophobicContact CB-CE2 4.46Å; A37-F51 HydrophobicContact CB-CZ 3.68Å; F51-S53 PolarHBondContact O-N 2.9Å; F51-L54 HydrophobicContact CD1-CD1 4.4Å; F51-L54 PolarHBondContact O-N 3.08Å; F51-L54 VanDerWaalsContact O-O 3.11Å
52K94.7Very high94.5Very high173 Ų17378 Ų7875%0.75235%0.354SS*.G310 helixtrans-61.9-28.8176.9-67.2-179.4-178.9-179.80113.2N50 L54N50-K52 PolarHBondContact O-N 3.16Å; N50-K52 WeakPolarHBondContact OD1-CB 3.45Å; N50-K52 WeakPolarHBondContact OD1-CG 3.49Å; N50-K52 PolarHBondContact OD1-N 3.16Å; K52-L54 VanDerWaalsContact C-N 3.33Å
53S94.5Very high94.5Very high22 Ų2276.1 Ų76.115%0.15434%0.34CS..G310 helixtrans-86.3-5.6177.5-53.40000113N17 N50 F51N17-S53 PolarHBondContact N-O 3.46Å; N50-S53 PolarHBondContact O-N 3.32Å; F51-S53 PolarHBondContact O-N 2.9Å
54L95.9Very high94.6Very high9 Ų973.2 Ų73.25%0.04733%0.332CS..EExtended strand (participates in β ladder)trans-107.7129.5-175.5-62.2178.6000110.6C14 I16 A37 I39 K49 F51 K52C14-L54 HydrophobicContact CB-CB 4.18Å; C14-L54 HydrophobicContact CB-CD2 4.22Å; I16-L54 HydrophobicContact CG1-CD2 3.87Å; A37-L54 HydrophobicContact CB-CD1 4.37Å; I39-L54 HydrophobicContact CG2-CD1 3.9Å; I39-L54 HydrophobicContact CG2-CD2 4.49Å; K49-L54 HydrophobicContact CG-CD2 4.09Å; K49-L54 HydrophobicContact CG-CG 4.31Å; F51-L54 HydrophobicContact CD1-CD1 4.4Å; F51-L54 PolarHBondContact O-N 3.08Å; F51-L54 VanDerWaalsContact O-O 3.11Å; K52-L54 VanDerWaalsContact C-N 3.33Å
55Y95.7Very high94.6Very high103 Ų10377.4 Ų77.440%0.40435%0.351SS..EExtended strand (participates in β ladder)trans-101.6120.6166.4-65-24.1000110.8C14 Y15 N17 T57 W90C14-Y55 CarbonylContact C-O 3.48Å; C14-Y55 VanDerWaalsContact CA-O 3.23Å; C14-Y55 WeakPolarHBondContact CA-O 3.3Å; Y15-Y55 HydrophobicContact CD1-CD2 4.23Å; Y15-Y55 PolarHBondContact N-O 3.16Å; Y15-Y55 PolarHBondContact O-N 3Å; N17-Y55 HydrophobicContact CB-CD2 3.96Å; N17-Y55 HydrophobicContact CB-CE1 4.29Å; N17-Y55 HydrophobicContact CB-CE2 3.69Å; N17-Y55 HydrophobicContact CB-CG 4.4Å; N17-Y55 PolarHBondContact ND2-OH 3.49Å; N17-Y55 WeakPolarHBondContact OD1-CE2 3.35Å; Y55-T57 PolarHBondContact O-N 3.34Å; Y55-W90 AromaticContact CD2-CH2 3.77Å; Y55-W90 HydrophobicContact CD2-CH2 3.77Å; Y55-W90 AromaticContact CD2-CZ2 3.87Å; Y55-W90 HydrophobicContact CD2-CZ2 3.87Å; Y55-W90 HydrophobicContact CG-CH2 4.13Å
56L95.7Very high94.5Very high46 Ų4675.6 Ų75.624%0.24135%0.345CS..EExtended strand (participates in β ladder)trans-68.3132.9179.3-55.5-176.7000110.6L6 A8 R12 C14 I28L6-L56 HydrophobicContact CB-CB 4.39Å; L6-L56 HydrophobicContact CB-CD1 4.39Å; L6-L56 HydrophobicContact CD1-CB 4.5Å; A8-L56 HydrophobicContact CB-CD1 4.29Å; A8-L56 HydrophobicContact CB-CD2 4.36Å; R12-L56 HydrophobicContact CG-CD2 4.08Å; C14-L56 WeakPolarHBondContact SG-CD2 3.41Å; I28-L56 HydrophobicContact CD1-CD2 4.1Å
57T95.3Very high94.4Very high6 Ų672 Ų724%0.03733%0.333CS..EExtended strand (participates in β ladder)trans-100.8165.2173.277.10000110.9R12 I13 Y55 L59 W85R12-T57 WeakPolarHBondContact CD-O 3.48Å; R12-T57 PolarHBondContact NH1-O 3.2Å; I13-T57 HydrophobicContact CG2-CG2 4.46Å; I13-T57 WeakPolarHBondContact O-CB 3.23Å; I13-T57 PolarHBondContact O-N 3.02Å; I13-T57 PolarHBondContact O-OG1 3.01Å; Y55-T57 PolarHBondContact O-N 3.34Å; T57-L59 PolarHBondContact O-N 2.96Å; T57-L59 PolarHBondContact OG1-N 2.9Å; T57-W85 HydrophobicContact CG2-CE3 4.25Å; T57-W85 HydrophobicContact CG2-CH2 4.23Å; T57-W85 HydrophobicContact CG2-CZ3 3.54Å
58R93.5Very high94.4Very high222 Ų22276.3 Ų76.384%0.83835%0.35SS*.EExtended strand (participates in β ladder)trans-69.5-18.4173.5-69.2-180-179.6-175.9-1.7112.8L6 R12L6-R58 HydrophobicContact CD2-CG 3.99Å; R12-R58 PolarHBondContact NH1-O 3.5Å
59L95.3Very high94.3Very high32 Ų3276 Ų7617%0.16834%0.343CS..EExtended strand (participates in β ladder)trans-73.5143.9-176.7-55.5175.5000110.4I13 T57 I81 K84 W85I13-L59 HydrophobicContact CB-CB 4.08Å; I13-L59 HydrophobicContact CD1-CB 3.48Å; I13-L59 VanDerWaalsContact CD1-CB 3.48Å; I13-L59 HydrophobicContact CG1-CB 4.39Å; I13-L59 PolarHBondContact N-O 3.47Å; I13-L59 VanDerWaalsContact N-O 3.16Å; T57-L59 PolarHBondContact O-N 2.96Å; T57-L59 PolarHBondContact OG1-N 2.9Å; L59-I81 HydrophobicContact CD1-CG2 4.41Å; L59-K84 HydrophobicContact CD1-CB 4.26Å; L59-K84 HydrophobicContact CD2-CB 4Å; L59-W85 HydrophobicContact CD1-CB 4.1Å; L59-W85 HydrophobicContact CD1-CE3 4.35Å
60R94.4Very high94.3Very high135 Ų13583 Ų8351%0.50937%0.374SS..EExtended strand (participates in β ladder)trans-136.7128.6176.6-172.7-171.3-173.8169.42.4108.7Q9 G11 Q79Q9-R60 VanDerWaalsContact NE2-CD 3.35Å; G11-R60 CarbonylContact O-C 3.58Å; G11-R60 WeakPolarHBondContact O-CA 3.39Å; R60-Q79 PolarHBondContact O-OE1 2.97Å
61L94.1Very high94.3Very high0 Ų083.4 Ų83.40%038%0.377CS..  trans-83128.8166.9-167.270.4000109.2G11 A27 M63 V72 R75 W76 Q79 I81G11-L61 WeakPolarHBondContact CA-O 3.43Å; G11-L61 WeakPolarHBondContact O-CB 3.41Å; G11-L61 PolarHBondContact O-N 3.27Å; A27-L61 HydrophobicContact CB-CD2 4.42Å; L61-M63 HydrophobicContact CD2-CB 4.48Å; L61-M63 HydrophobicContact CD2-CG 4.5Å; L61-M63 HydrophobicContact CD2-SD 3.94Å; L61-M63 PolarHBondContact O-N 3.01Å; L61-V72 HydrophobicContact CD2-CG1 3.95Å; L61-R75 HydrophobicContact CD1-CB 4.03Å; L61-R75 HydrophobicContact CD2-CB 4.44Å; L61-R75 HydrophobicContact CG-CB 4.36Å; L61-W76 HydrophobicContact CD2-CE3 4.41Å; L61-Q79 HydrophobicContact CD1-CB 4.35Å; L61-Q79 HydrophobicContact CD1-CG 4.45Å; L61-I81 HydrophobicContact CD1-CD1 4.48Å; L61-I81 HydrophobicContact CD1-CG1 4.13Å
62K93.3Very high94.2Very high163 Ų16381.3 Ų81.371%0.70937%0.368SS*.  trans-71.1108.5167.6-61.4-177.3179.2-178.20109.4R75K62-R75 WeakPolarHBondContact O-CD 3.01Å
63M91.7Very high94.2Very high25 Ų2575.7 Ų75.712%0.12335%0.346CS..  trans-154.5161.6179.766.1176-72.200111.1I10 G11 A27 V29 L61 D67 V72I10-M63 HydrophobicContact CG2-CG 4.04Å; G11-M63 VanDerWaalsContact CA-CG 3.46Å; G11-M63 VanDerWaalsContact CA-SD 3.57Å; A27-M63 HydrophobicContact CB-SD 4.36Å; V29-M63 HydrophobicContact CB-CE 4.07Å; V29-M63 HydrophobicContact CG1-CE 3.83Å; V29-M63 HydrophobicContact CG2-CE 4.02Å; L61-M63 HydrophobicContact CD2-CB 4.48Å; L61-M63 HydrophobicContact CD2-CG 4.5Å; L61-M63 HydrophobicContact CD2-SD 3.94Å; L61-M63 PolarHBondContact O-N 3.01Å; M63-D67 WeakPolarHBondContact CA-OD2 3.33Å; M63-D67 VanDerWaalsContact CB-OD2 3.24Å; M63-D67 WeakPolarHBondContact CB-OD2 3.24Å; M63-D67 HydrophobicContact CE-CB 4.08Å; M63-V72 HydrophobicContact CE-CG2 3.69Å; M63-V72 HydrophobicContact SD-CG2 4.41Å
64T93.7Very high94.3Very high75 Ų7580.8 Ų80.846%0.4637%0.365SS..  trans-100.6162.1170.161.90000110.2E66 D67T64-E66 PolarHBondContact O-N 3.18Å; T64-D67 PolarHBondContact N-OD2 3.33Å; T64-D67 WeakPolarHBondContact O-CB 3.43Å; T64-D67 PolarHBondContact O-N 3.1Å; T64-D67 PolarHBondContact OG1-OD2 2.67Å
65H92.2Very high94.2Very high93 Ų9383.6 Ų83.643%0.43138%0.375SS..THydrogen-bonded Turntrans-67.6-22.2-177.271.7-77.6000113.5I10I10-H65 HydrophobicContact CD1-CB 3.78Å; I10-H65 HydrophobicContact CG1-CB 4.24Å; I10-H65 HydrophobicContact CG2-CB 4.47Å
66E91.3Very high94.2Very high147 Ų14778.8 Ų78.869%0.68736%0.356SS*.THydrogen-bonded Turntrans-87.3-5.5-178.5-60.9173.2-178.300113.4T64 K68T64-E66 PolarHBondContact O-N 3.18Å; E66-K68 PolarHBondContact O-N 2.99Å
67D93.3Very high94.2Very high15 Ų1584.6 Ų84.68%0.0838%0.38CS..  trans-60.2126.3-173.3-83.8-48.9000112R46 M63 T64 V72 R75R46-D67 PolarHBondContact NH1-O 3.36Å; R46-D67 PolarHBondContact NH2-O 2.93Å; M63-D67 WeakPolarHBondContact CA-OD2 3.33Å; M63-D67 VanDerWaalsContact CB-OD2 3.24Å; M63-D67 WeakPolarHBondContact CB-OD2 3.24Å; M63-D67 HydrophobicContact CE-CB 4.08Å; T64-D67 PolarHBondContact N-OD2 3.33Å; T64-D67 WeakPolarHBondContact O-CB 3.43Å; T64-D67 PolarHBondContact O-N 3.1Å; T64-D67 PolarHBondContact OG1-OD2 2.67Å; D67-V72 HydrophobicContact CB-CG2 3.96Å; D67-R75 IonicContact OD1-CZ 3.61Å; D67-R75 IonicContact OD1-NH1 3.21Å; D67-R75 PolarHBondContact OD1-NH1 3.16Å; D67-R75 IonicContact OD1-NH2 3.62Å; D67-R75 IonicContact OD2-CZ 3.67Å; D67-R75 IonicContact OD2-NH1 3.86Å; D67-R75 PolarHBondContact OD2-NH1 3.12Å
68K94.6Very high94.2Very high161 Ų16189.8 Ų89.870%0.740%0.404SS*.  trans-69.4156.2173-62.4-176.3-179.4-178.80110.3E66 K70 T71 V72E66-K68 PolarHBondContact O-N 2.99Å; K68-K70 PolarHBondContact O-N 3.16Å; K68-K70 VanDerWaalsContact O-N 3.14Å; K68-T71 WeakPolarHBondContact O-CA 3.42Å; K68-T71 WeakPolarHBondContact O-CB 3.48Å; K68-T71 PolarHBondContact O-N 2.96Å; K68-V72 PolarHBondContact O-N 3.22Å
69T95Very high94.3Very high50 Ų5081.2 Ų81.231%0.30737%0.373SS..Hα-helixtrans-52.5-41.1-178.8-58.60000112.4D40 R46 T71 V72 L73D40-T69 WeakPolarHBondContact OD1-CG2 3.25Å; D40-T69 WeakPolarHBondContact OD2-CA 3.47Å; D40-T69 WeakPolarHBondContact OD2-CB 3.35Å; D40-T69 WeakPolarHBondContact OD2-CG2 3.41Å; D40-T69 PolarHBondContact OD2-OG1 2.76Å; R46-T69 PolarHBondContact NE-OG1 3.21Å; R46-T69 PolarHBondContact NH2-OG1 3.02Å; T69-T71 VanDerWaalsContact C-N 3.28Å; T69-T71 PolarHBondContact O-N 3.36Å; T69-V72 PolarHBondContact O-N 3.45Å; T69-L73 HydrophobicContact CG2-CD1 3.97Å; T69-L73 HydrophobicContact CG2-CG 4.2Å; T69-L73 WeakPolarHBondContact O-CB 3.28Å; T69-L73 VanDerWaalsContact O-CG 3.29Å; T69-L73 WeakPolarHBondContact O-CG 3.38Å; T69-L73 PolarHBondContact O-N 2.95Å
70K94.7Very high94.2Very high184 Ų18480.7 Ų80.780%0.838%0.375SS*.Hα-helixtrans-55.4-42.7175.5-172.6176.2-179.2178.50112.5K68 K74K68-K70 PolarHBondContact O-N 3.16Å; K68-K70 VanDerWaalsContact O-N 3.14Å; K70-K74 WeakPolarHBondContact O-CB 3.24Å; K70-K74 PolarHBondContact O-N 3.33Å
71T95Very high94.3Very high46 Ų4674.3 Ų74.328%0.28235%0.352SS..Hα-helixtrans-73.5-40.2-179.6-36.30000111.4K68 T69 K74 R75K68-T71 WeakPolarHBondContact O-CA 3.42Å; K68-T71 WeakPolarHBondContact O-CB 3.48Å; K68-T71 PolarHBondContact O-N 2.96Å; T69-T71 VanDerWaalsContact C-N 3.28Å; T69-T71 PolarHBondContact O-N 3.36Å; T71-K74 PolarHBondContact O-N 3.4Å; T71-R75 WeakPolarHBondContact O-CG 3.28Å; T71-R75 PolarHBondContact O-N 3.07Å
72V95.3Very high94.3Very high0 Ų077.9 Ų77.90%037%0.37CS..Hα-helixtrans-58.5-49.2174.61780000110.5L61 M63 D67 K68 T69 K74 R75 W76L61-V72 HydrophobicContact CD2-CG1 3.95Å; M63-V72 HydrophobicContact CE-CG2 3.69Å; M63-V72 HydrophobicContact SD-CG2 4.41Å; D67-V72 HydrophobicContact CB-CG2 3.96Å; K68-V72 PolarHBondContact O-N 3.22Å; T69-V72 PolarHBondContact O-N 3.45Å; V72-K74 PolarHBondContact O-N 3.04Å; V72-R75 PolarHBondContact O-N 3.31Å; V72-W76 WeakPolarHBondContact O-CB 3.5Å; V72-W76 PolarHBondContact O-N 3.25Å
73L94.8Very high94.4Very high55 Ų5576 Ų7629%0.28837%0.368SS..Hα-helixtrans-63.8-39.4178.8-66.5178.7000112.7P42 T69 W76 K77P42-L73 VanDerWaalsContact CA-CD2 3.47Å; P42-L73 HydrophobicContact CB-CD2 4.1Å; T69-L73 HydrophobicContact CG2-CD1 3.97Å; T69-L73 HydrophobicContact CG2-CG 4.2Å; T69-L73 WeakPolarHBondContact O-CB 3.28Å; T69-L73 VanDerWaalsContact O-CG 3.29Å; T69-L73 WeakPolarHBondContact O-CG 3.38Å; T69-L73 PolarHBondContact O-N 2.95Å; L73-W76 PolarHBondContact O-N 2.95Å; L73-K77 WeakPolarHBondContact O-CG 3.44Å; L73-K77 PolarHBondContact O-N 2.89Å; L73-K77 VanDerWaalsContact O-N 3.16Å
74K95.2Very high94.6Very high129 Ų12979.7 Ų79.756%0.56138%0.384SS*.Hα-helixtrans-59.5-51.6174.7-167.2-170.5-169.7-108.90110.6K70 T71 V72 W76 K77 E78K70-K74 WeakPolarHBondContact O-CB 3.24Å; K70-K74 PolarHBondContact O-N 3.33Å; T71-K74 PolarHBondContact O-N 3.4Å; V72-K74 PolarHBondContact O-N 3.04Å; K74-W76 VanDerWaalsContact C-N 3.32Å; K74-W76 PolarHBondContact O-N 3.16Å; K74-K77 PolarHBondContact O-N 3.1Å; K74-E78 VanDerWaalsContact CE-OE1 3.29Å; K74-E78 WeakPolarHBondContact CE-OE1 3.35Å; K74-E78 WeakPolarHBondContact CG-OE1 3.45Å; K74-E78 IonicContact NZ-OE1 3.67Å; K74-E78 PolarHBondContact NZ-OE1 3.06Å; K74-E78 WeakPolarHBondContact O-CG 3.48Å; K74-E78 PolarHBondContact O-N 3.49Å
75R95.1Very high94.7Very high68 Ų6877.4 Ų77.426%0.25737%0.366SS..Hα-helixtrans-66.2-33.9180-67.7-163.3-174.299.8-6112.6L61 K62 D67 T71 V72 K77 E78 Q79L61-R75 HydrophobicContact CD1-CB 4.03Å; L61-R75 HydrophobicContact CD2-CB 4.44Å; L61-R75 HydrophobicContact CG-CB 4.36Å; K62-R75 WeakPolarHBondContact O-CD 3.01Å; D67-R75 IonicContact OD1-CZ 3.61Å; D67-R75 IonicContact OD1-NH1 3.21Å; D67-R75 PolarHBondContact OD1-NH1 3.16Å; D67-R75 IonicContact OD1-NH2 3.62Å; D67-R75 IonicContact OD2-CZ 3.67Å; D67-R75 IonicContact OD2-NH1 3.86Å; D67-R75 PolarHBondContact OD2-NH1 3.12Å; T71-R75 WeakPolarHBondContact O-CG 3.28Å; T71-R75 PolarHBondContact O-N 3.07Å; V72-R75 PolarHBondContact O-N 3.31Å; R75-K77 VanDerWaalsContact C-N 3.33Å; R75-E78 PolarHBondContact O-N 2.92Å; R75-Q79 WeakPolarHBondContact O-CB 3.38Å; R75-Q79 WeakPolarHBondContact O-CG 3.27Å; R75-Q79 PolarHBondContact O-N 2.89Å
76W96.2Very high94.8Very high2 Ų277.5 Ų77.51%0.00837%0.368CS..Hα-helixtrans-58.7-47.4175.9-170.6-75.9000111.1I13 L25 A27 P42 L61 V72 L73 K74 G80 I81 D82I13-W76 HydrophobicContact CG1-CH2 4.15Å; I13-W76 HydrophobicContact CG1-CZ3 4Å; I13-W76 HydrophobicContact CG2-CH2 4.03Å; L25-W76 HydrophobicContact CB-CH2 3.82Å; L25-W76 HydrophobicContact CB-CZ2 3.82Å; L25-W76 HydrophobicContact CD1-CZ2 4.23Å; A27-W76 HydrophobicContact CB-CE3 4.38Å; A27-W76 HydrophobicContact CB-CZ3 3.87Å; P42-W76 HydrophobicContact CG-CZ2 4.45Å; L61-W76 HydrophobicContact CD2-CE3 4.41Å; V72-W76 WeakPolarHBondContact O-CB 3.5Å; V72-W76 PolarHBondContact O-N 3.25Å; L73-W76 PolarHBondContact O-N 2.95Å; K74-W76 VanDerWaalsContact C-N 3.32Å; K74-W76 PolarHBondContact O-N 3.16Å; W76-G80 PolarHBondContact O-N 3.49Å; W76-I81 HydrophobicContact CD2-CB 4.07Å; W76-I81 HydrophobicContact CD2-CG1 4.29Å; W76-I81 HydrophobicContact CD2-CG2 4.17Å; W76-I81 HydrophobicContact CG-CB 4.23Å; W76-I81 HydrophobicContact CG-CG1 4.36Å; W76-I81 HydrophobicContact CH2-CG2 4.03Å; W76-I81 HydrophobicContact CZ2-CB 4.22Å; W76-I81 HydrophobicContact CZ2-CG2 3.5Å; W76-I81 PolarHBondContact O-N 3.44Å; W76-D82 PolarHBondContact NE1-OD1 2.9Å
77K95.2Very high95Very high168 Ų16874.1 Ų74.173%0.7337%0.365SS*.Hα-helixtrans-67.2-48175.8-67.8-178.5-179.9-173.40111.8L73 K74 R75 Q79 G80L73-K77 WeakPolarHBondContact O-CG 3.44Å; L73-K77 PolarHBondContact O-N 2.89Å; L73-K77 VanDerWaalsContact O-N 3.16Å; K74-K77 PolarHBondContact O-N 3.1Å; R75-K77 VanDerWaalsContact C-N 3.33Å; K77-Q79 PolarHBondContact O-N 3.5Å; K77-G80 PolarHBondContact O-N 3.37Å
78E95.4Very high95.1Very high116 Ų11675.3 Ų75.354%0.54237%0.373SS..Hα-helixtrans-57.8-35.9178.7-74170.217700112.6K74 R75 G80K74-E78 VanDerWaalsContact CE-OE1 3.29Å; K74-E78 WeakPolarHBondContact CE-OE1 3.35Å; K74-E78 WeakPolarHBondContact CG-OE1 3.45Å; K74-E78 IonicContact NZ-OE1 3.67Å; K74-E78 PolarHBondContact NZ-OE1 3.06Å; K74-E78 WeakPolarHBondContact O-CG 3.48Å; K74-E78 PolarHBondContact O-N 3.49Å; R75-E78 PolarHBondContact O-N 2.92Å; E78-G80 VanDerWaalsContact C-N 3.35Å
79Q94.5Very high95.2Very high41 Ų4175.5 Ų75.519%0.19237%0.374CS..THydrogen-bonded Turntrans-87.3-0.8179-70.417745.100113.8R60 L61 R75 K77 I81 K84R60-Q79 PolarHBondContact O-OE1 2.97Å; L61-Q79 HydrophobicContact CD1-CB 4.35Å; L61-Q79 HydrophobicContact CD1-CG 4.45Å; R75-Q79 WeakPolarHBondContact O-CB 3.38Å; R75-Q79 WeakPolarHBondContact O-CG 3.27Å; R75-Q79 PolarHBondContact O-N 2.89Å; K77-Q79 PolarHBondContact O-N 3.5Å; Q79-I81 VanDerWaalsContact C-N 3.3Å; Q79-I81 HydrophobicContact CB-CD1 3.88Å; Q79-I81 HydrophobicContact CB-CG1 4.15Å; Q79-I81 PolarHBondContact O-N 3.36Å; Q79-K84 WeakPolarHBondContact O-CD 3.3Å; Q79-K84 VanDerWaalsContact O-CE 3.22Å; Q79-K84 WeakPolarHBondContact O-CE 3.44Å; Q79-K84 PolarHBondContact O-NZ 3.33Å
80G94.6Very high95.1Very high21 Ų2177.5 Ų77.522%0.21638%0.376CS..THydrogen-bonded Turntrans54.545178.400000112.5W76 K77 E78 D82 D83 K84W76-G80 PolarHBondContact O-N 3.49Å; K77-G80 PolarHBondContact O-N 3.37Å; E78-G80 VanDerWaalsContact C-N 3.35Å; G80-D82 VanDerWaalsContact C-N 3.27Å; G80-D82 PolarHBondContact O-N 2.86Å; G80-D83 PolarHBondContact O-N 3.29Å; G80-K84 WeakPolarHBondContact O-CG 3.44Å; G80-K84 PolarHBondContact O-N 2.77Å
81I95.2Very high95.1Very high2 Ų269 Ų691%0.0134%0.34CS..Hα-helixtrans-62.5-37-174-65.3-53.2000111.7I13 L59 L61 W76 Q79 K84 W85I13-I81 HydrophobicContact CD1-CB 4.23Å; I13-I81 HydrophobicContact CD1-CD1 3.52Å; I13-I81 HydrophobicContact CD1-CG1 3.8Å; I13-I81 HydrophobicContact CD1-CG2 3.39Å; I13-I81 HydrophobicContact CG1-CG2 4.2Å; I13-I81 HydrophobicContact CG2-CG2 4.48Å; L59-I81 HydrophobicContact CD1-CG2 4.41Å; L61-I81 HydrophobicContact CD1-CD1 4.48Å; L61-I81 HydrophobicContact CD1-CG1 4.13Å; W76-I81 HydrophobicContact CD2-CB 4.07Å; W76-I81 HydrophobicContact CD2-CG1 4.29Å; W76-I81 HydrophobicContact CD2-CG2 4.17Å; W76-I81 HydrophobicContact CG-CB 4.23Å; W76-I81 HydrophobicContact CG-CG1 4.36Å; W76-I81 HydrophobicContact CH2-CG2 4.03Å; W76-I81 HydrophobicContact CZ2-CB 4.22Å; W76-I81 HydrophobicContact CZ2-CG2 3.5Å; W76-I81 PolarHBondContact O-N 3.44Å; Q79-I81 VanDerWaalsContact C-N 3.3Å; Q79-I81 HydrophobicContact CB-CD1 3.88Å; Q79-I81 HydrophobicContact CB-CG1 4.15Å; Q79-I81 PolarHBondContact O-N 3.36Å; I81-K84 HydrophobicContact CD1-CD 4.42Å; I81-K84 PolarHBondContact O-N 3.08Å; I81-W85 WeakPolarHBondContact O-CB 3.46Å; I81-W85 PolarHBondContact O-N 3.11Å
82D94.4Very high95.2Very high74 Ų7473.7 Ų73.740%0.39635%0.352SS..Hα-helixtrans-64.8-45.4-179.7-57.9-28.4000110.6W76 G80 K84 W85 M86W76-D82 PolarHBondContact NE1-OD1 2.9Å; G80-D82 VanDerWaalsContact C-N 3.27Å; G80-D82 PolarHBondContact O-N 2.86Å; D82-K84 PolarHBondContact O-N 3.19Å; D82-W85 WeakPolarHBondContact O-CB 3.48Å; D82-W85 PolarHBondContact O-N 3.43Å; D82-M86 WeakPolarHBondContact O-CB 3.42Å; D82-M86 VanDerWaalsContact O-CG 3.24Å; D82-M86 WeakPolarHBondContact O-CG 3.44Å; D82-M86 PolarHBondContact O-N 3.36Å
83D95.4Very high95.2Very high124 Ų12481.7 Ų81.766%0.66338%0.383SS*.Hα-helixtrans-62.8-44.4175.7-61.1-40.6000111.6G80 W85 M86 A87G80-D83 PolarHBondContact O-N 3.29Å; D83-W85 VanDerWaalsContact C-N 3.31Å; D83-W85 PolarHBondContact O-N 3.46Å; D83-M86 PolarHBondContact O-N 2.94Å; D83-A87 WeakPolarHBondContact O-CB 3.25Å; D83-A87 PolarHBondContact O-N 2.93Å
84K95.9Very high95.1Very high103 Ų10381.7 Ų81.745%0.44838%0.381SS..Hα-helixtrans-61.4-40.5176.1-75.3172.9179163.90111.7L59 Q79 G80 I81 D82 A87 T88L59-K84 HydrophobicContact CD1-CB 4.26Å; L59-K84 HydrophobicContact CD2-CB 4Å; Q79-K84 WeakPolarHBondContact O-CD 3.3Å; Q79-K84 VanDerWaalsContact O-CE 3.22Å; Q79-K84 WeakPolarHBondContact O-CE 3.44Å; Q79-K84 PolarHBondContact O-NZ 3.33Å; G80-K84 WeakPolarHBondContact O-CG 3.44Å; G80-K84 PolarHBondContact O-N 2.77Å; I81-K84 HydrophobicContact CD1-CD 4.42Å; I81-K84 PolarHBondContact O-N 3.08Å; D82-K84 PolarHBondContact O-N 3.19Å; K84-A87 PolarHBondContact O-N 3.19Å; K84-T88 WeakPolarHBondContact O-CG2 3.37Å; K84-T88 PolarHBondContact O-N 3.44Å
85W95.9Very high95.1Very high26 Ų2681.4 Ų81.410%0.09838%0.38CS..Hα-helixtrans-64.1-49.4175.5172.8-110.6000110.8Y15 L25 T57 L59 I81 D82 D83 A87 T88 W90 A91Y15-W85 HydrophobicContact CD2-CH2 4.13Å; Y15-W85 AromaticContact CD2-CZ2 3.77Å; Y15-W85 HydrophobicContact CD2-CZ2 3.77Å; Y15-W85 HydrophobicContact CE2-CZ2 4.26Å; Y15-W85 HydrophobicContact CG-CH2 4.47Å; L25-W85 HydrophobicContact CD1-CB 3.78Å; L25-W85 HydrophobicContact CD1-CD2 3.94Å; L25-W85 HydrophobicContact CD1-CG 3.5Å; L25-W85 HydrophobicContact CD2-CD2 3.86Å; L25-W85 HydrophobicContact CD2-CE3 4.09Å; L25-W85 HydrophobicContact CD2-CG 4.34Å; L25-W85 HydrophobicContact CD2-CH2 4.28Å; L25-W85 HydrophobicContact CD2-CZ2 4.06Å; L25-W85 HydrophobicContact CD2-CZ3 4.31Å; L25-W85 HydrophobicContact CG-CD2 4.42Å; L25-W85 HydrophobicContact CG-CG 4.41Å; T57-W85 HydrophobicContact CG2-CE3 4.25Å; T57-W85 HydrophobicContact CG2-CH2 4.23Å; T57-W85 HydrophobicContact CG2-CZ3 3.54Å; L59-W85 HydrophobicContact CD1-CB 4.1Å; L59-W85 HydrophobicContact CD1-CE3 4.35Å; I81-W85 WeakPolarHBondContact O-CB 3.46Å; I81-W85 PolarHBondContact O-N 3.11Å; D82-W85 WeakPolarHBondContact O-CB 3.48Å; D82-W85 PolarHBondContact O-N 3.43Å; D83-W85 VanDerWaalsContact C-N 3.31Å; D83-W85 PolarHBondContact O-N 3.46Å; W85-A87 PolarHBondContact O-N 2.86Å; W85-T88 HydrophobicContact CE3-CG2 4.36Å; W85-T88 VanDerWaalsContact O-CB 3.27Å; W85-T88 WeakPolarHBondContact O-CB 3.34Å; W85-T88 WeakPolarHBondContact O-CG2 3.35Å; W85-T88 PolarHBondContact O-N 2.88Å; W85-T88 PolarHBondContact O-OG1 2.95Å; W85-W90 HydrophobicContact CH2-CB 4.42Å; W85-W90 AromaticContact CH2-CD2 3.79Å; W85-W90 HydrophobicContact CH2-CD2 3.79Å; W85-W90 AromaticContact CH2-CE3 3.88Å; W85-W90 HydrophobicContact CH2-CE3 3.88Å; W85-W90 HydrophobicContact CH2-CG 4.05Å; W85-W90 HydrophobicContact CH2-CZ3 4.44Å; W85-W90 HydrophobicContact CZ3-CD2 4.45Å; W85-W90 HydrophobicContact CZ3-CE3 4.17Å; W85-A91 HydrophobicContact CD2-CB 4.14Å; W85-A91 HydrophobicContact CG-CB 4.2Å; W85-A91 HydrophobicContact CZ2-CB 4.37Å; W85-A91 WeakPolarHBondContact O-CB 3.45Å
86M94.3Very high95.1Very high96 Ų9683.5 Ų83.547%0.47339%0.393SS..Hα-helixtrans-61.4-30.1180-70.1-58.2-72.300112.8D82 D83 T88 A91 K95D82-M86 WeakPolarHBondContact O-CB 3.42Å; D82-M86 VanDerWaalsContact O-CG 3.24Å; D82-M86 WeakPolarHBondContact O-CG 3.44Å; D82-M86 PolarHBondContact O-N 3.36Å; D83-M86 PolarHBondContact O-N 2.94Å; M86-T88 VanDerWaalsContact C-N 3.28Å; M86-T88 PolarHBondContact O-N 3.47Å; M86-A91 HydrophobicContact SD-CB 4.42Å; M86-K95 HydrophobicContact CE-CD 4.39Å
87A95Very high95.1Very high75 Ų7590.9 Ų90.962%0.6242%0.42SS*.Hα-helixtrans-70.8-19.5172.800000113.6D83 K84 W85D83-A87 WeakPolarHBondContact O-CB 3.25Å; D83-A87 PolarHBondContact O-N 2.93Å; K84-A87 PolarHBondContact O-N 3.19Å; W85-A87 PolarHBondContact O-N 2.86Å
88T95.5Very high95.1Very high40 Ų4085.8 Ų85.825%0.24541%0.41CS..SBendtrans-66.9147.9-178.369.90000112.5K84 W85 M86 W90 A91 R92K84-T88 WeakPolarHBondContact O-CG2 3.37Å; K84-T88 PolarHBondContact O-N 3.44Å; W85-T88 HydrophobicContact CE3-CG2 4.36Å; W85-T88 VanDerWaalsContact O-CB 3.27Å; W85-T88 WeakPolarHBondContact O-CB 3.34Å; W85-T88 WeakPolarHBondContact O-CG2 3.35Å; W85-T88 PolarHBondContact O-N 2.88Å; W85-T88 PolarHBondContact O-OG1 2.95Å; M86-T88 VanDerWaalsContact C-N 3.28Å; M86-T88 PolarHBondContact O-N 3.47Å; T88-W90 PolarHBondContact O-N 3.24Å; T88-A91 PolarHBondContact O-N 3.49Å; T88-A91 WeakPolarHBondContact OG1-CB 3.23Å; T88-A91 PolarHBondContact OG1-N 2.66Å; T88-A91 VanDerWaalsContact OG1-N 3.08Å; T88-R92 WeakPolarHBondContact O-CG 3.35Å; T88-R92 PolarHBondContact O-N 3.18Å; T88-R92 VanDerWaalsContact O-N 3.11Å
89K95.7Very high95.1Very high165 Ų16584.2 Ų84.272%0.71740%0.404SS*.Hα-helixtrans-57.6-30.6171.8-69.9-177.2-179.1177.90112R93K89-R93 WeakPolarHBondContact O-CB 3.35Å; K89-R93 VanDerWaalsContact O-CG 3.24Å; K89-R93 WeakPolarHBondContact O-CG 3.45Å; K89-R93 PolarHBondContact O-N 3.38Å; K89-R93 VanDerWaalsContact O-N 3.08Å
90W94.8Very high95.1Very high92 Ų9290.5 Ų90.535%0.34843%0.426SS..Hα-helixtrans-68.7-57.3178.6-170.7-9.3000111Y15 Y55 W85 T88 R92 R93 E94Y15-W90 HydrophobicContact CD1-CZ2 4.17Å; Y15-W90 HydrophobicContact CG-CZ2 4.47Å; Y55-W90 AromaticContact CD2-CH2 3.77Å; Y55-W90 HydrophobicContact CD2-CH2 3.77Å; Y55-W90 AromaticContact CD2-CZ2 3.87Å; Y55-W90 HydrophobicContact CD2-CZ2 3.87Å; Y55-W90 HydrophobicContact CG-CH2 4.13Å; W85-W90 HydrophobicContact CH2-CB 4.42Å; W85-W90 AromaticContact CH2-CD2 3.79Å; W85-W90 HydrophobicContact CH2-CD2 3.79Å; W85-W90 AromaticContact CH2-CE3 3.88Å; W85-W90 HydrophobicContact CH2-CE3 3.88Å; W85-W90 HydrophobicContact CH2-CG 4.05Å; W85-W90 HydrophobicContact CH2-CZ3 4.44Å; W85-W90 HydrophobicContact CZ3-CD2 4.45Å; W85-W90 HydrophobicContact CZ3-CE3 4.17Å; T88-W90 PolarHBondContact O-N 3.24Å; W90-R92 PolarHBondContact O-N 3.08Å; W90-R93 WeakPolarHBondContact O-CA 3.4Å; W90-R93 WeakPolarHBondContact O-CB 3.26Å; W90-R93 PolarHBondContact O-N 3.19Å; W90-E94 PolarHBondContact O-N 2.83Å
91A94.9Very high95.2Very high5 Ų593.6 Ų93.64%0.04145%0.45CS..Hα-helixtrans-55.6-40178.700000112.2W85 M86 T88 R93 E94 K95W85-A91 HydrophobicContact CD2-CB 4.14Å; W85-A91 HydrophobicContact CG-CB 4.2Å; W85-A91 HydrophobicContact CZ2-CB 4.37Å; W85-A91 WeakPolarHBondContact O-CB 3.45Å; M86-A91 HydrophobicContact SD-CB 4.42Å; T88-A91 PolarHBondContact O-N 3.49Å; T88-A91 WeakPolarHBondContact OG1-CB 3.23Å; T88-A91 PolarHBondContact OG1-N 2.66Å; T88-A91 VanDerWaalsContact OG1-N 3.08Å; A91-R93 PolarHBondContact O-N 3.4Å; A91-E94 PolarHBondContact O-N 2.78Å; A91-K95 WeakPolarHBondContact O-CB 3.22Å; A91-K95 PolarHBondContact O-N 3.11Å
92R95.6Very high95.2Very high145 Ų14597.7 Ų97.755%0.54748%0.479SS..Hα-helixtrans-60.6-42.1174-69.7175.762.1-171.21.3113.1T88 W90 Q96T88-R92 WeakPolarHBondContact O-CG 3.35Å; T88-R92 PolarHBondContact O-N 3.18Å; T88-R92 VanDerWaalsContact O-N 3.11Å; W90-R92 PolarHBondContact O-N 3.08Å; R92-Q96 WeakPolarHBondContact O-CB 3.46Å; R92-Q96 VanDerWaalsContact O-CG 3.23Å; R92-Q96 WeakPolarHBondContact O-CG 3.29Å; R92-Q96 PolarHBondContact O-N 3.46Å
93R96.1Very high95.3Very high169 Ų16995.6 Ų95.664%0.63847%0.467SS*.Hα-helixtrans-66.5-40.5176.3-77.6174.3-178.6-177-0.2111.6K89 W90 A91 Q96 R97K89-R93 WeakPolarHBondContact O-CB 3.35Å; K89-R93 VanDerWaalsContact O-CG 3.24Å; K89-R93 WeakPolarHBondContact O-CG 3.45Å; K89-R93 PolarHBondContact O-N 3.38Å; K89-R93 VanDerWaalsContact O-N 3.08Å; W90-R93 WeakPolarHBondContact O-CA 3.4Å; W90-R93 WeakPolarHBondContact O-CB 3.26Å; W90-R93 PolarHBondContact O-N 3.19Å; A91-R93 PolarHBondContact O-N 3.4Å; R93-Q96 PolarHBondContact O-N 3.08Å; R93-R97 PolarHBondContact O-N 2.93Å
94E93.1Very high95.3Very high55 Ų5593.4 Ų93.426%0.25746%0.455SS..Hα-helixtrans-65.3-46.2178.1-157.760.5-135.400110.9W90 A91 Q96 R97 A98W90-E94 PolarHBondContact O-N 2.83Å; A91-E94 PolarHBondContact O-N 2.78Å; E94-Q96 VanDerWaalsContact C-N 3.32Å; E94-Q96 PolarHBondContact O-N 3.26Å; E94-R97 WeakPolarHBondContact O-CB 3.49Å; E94-R97 PolarHBondContact O-N 3.37Å; E94-R97 IonicContact OE1-CZ 2.83Å; E94-R97 IonicContact OE1-NH1 3.61Å; E94-R97 PolarHBondContact OE1-NH1 3.02Å; E94-R97 IonicContact OE2-CZ 3.52Å; E94-R97 IonicContact OE2-NH1 3.56Å; E94-R97 PolarHBondContact OE2-NH1 3.38Å; E94-A98 PolarHBondContact O-N 2.95Å
95K94.3Very high95.4Very high123 Ų12393.8 Ų93.854%0.53546%0.463SS..Hα-helixtrans-57.7-43.4173.1-176.7173179.5172.80112M86 A91 R97 A98 I99M86-K95 HydrophobicContact CE-CD 4.39Å; A91-K95 WeakPolarHBondContact O-CB 3.22Å; A91-K95 PolarHBondContact O-N 3.11Å; K95-R97 VanDerWaalsContact C-N 3.34Å; K95-R97 PolarHBondContact O-N 2.98Å; K95-A98 PolarHBondContact O-N 2.84Å; K95-I99 HydrophobicContact CG-CD1 3.93Å; K95-I99 VanDerWaalsContact O-CG1 3.28Å; K95-I99 WeakPolarHBondContact O-CG1 3.49Å; K95-I99 PolarHBondContact O-N 3.43Å
96Q95.1Very high95.5Very high111 Ų11198.6 Ų98.652%0.51949%0.485SS..Hα-helixtrans-63.2-38.9175.3-77174.8-900112.2R92 R93 E94 R100R92-Q96 WeakPolarHBondContact O-CB 3.46Å; R92-Q96 VanDerWaalsContact O-CG 3.23Å; R92-Q96 WeakPolarHBondContact O-CG 3.29Å; R92-Q96 PolarHBondContact O-N 3.46Å; R93-Q96 PolarHBondContact O-N 3.08Å; E94-Q96 VanDerWaalsContact C-N 3.32Å; E94-Q96 PolarHBondContact O-N 3.26Å; Q96-R100 WeakPolarHBondContact O-CB 3.49Å; Q96-R100 WeakPolarHBondContact O-CG 3.36Å; Q96-R100 PolarHBondContact O-N 2.81Å
97R95.8Very high95.6Very high157 Ų15797.4 Ų97.459%0.59248%0.478SS*.Hα-helixtrans-62.8-46.6175.6-174.2-172.4-69.2146-3.2110.8R93 E94 K95 R100 A101R93-R97 PolarHBondContact O-N 2.93Å; E94-R97 WeakPolarHBondContact O-CB 3.49Å; E94-R97 PolarHBondContact O-N 3.37Å; E94-R97 IonicContact OE1-CZ 2.83Å; E94-R97 IonicContact OE1-NH1 3.61Å; E94-R97 PolarHBondContact OE1-NH1 3.02Å; E94-R97 IonicContact OE2-CZ 3.52Å; E94-R97 IonicContact OE2-NH1 3.56Å; E94-R97 PolarHBondContact OE2-NH1 3.38Å; K95-R97 VanDerWaalsContact C-N 3.34Å; K95-R97 PolarHBondContact O-N 2.98Å; R97-R100 PolarHBondContact O-N 3.23Å; R97-A101 PolarHBondContact O-N 3.47Å
98A94.7Very high95.7Very high61 Ų61100 Ų10050%0.50447%0.471SS..Hα-helixtrans-59.4-48.9176.800000111.8E94 K95 R100 A101 S102E94-A98 PolarHBondContact O-N 2.95Å; K95-A98 PolarHBondContact O-N 2.84Å; A98-R100 VanDerWaalsContact C-N 3.31Å; A98-R100 PolarHBondContact O-N 2.78Å; A98-A101 PolarHBondContact O-N 3.34Å; A98-A101 VanDerWaalsContact O-N 3.16Å; A98-S102 PolarHBondContact O-N 3.34Å
99I95.6Very high95.8Very high84 Ų84103.7 Ų103.743%0.43148%0.482SS..Hα-helixtrans-59.4-42.4176.6-67.7165.8000111K95 A101 S102 L103K95-I99 HydrophobicContact CG-CD1 3.93Å; K95-I99 VanDerWaalsContact O-CG1 3.28Å; K95-I99 WeakPolarHBondContact O-CG1 3.49Å; K95-I99 PolarHBondContact O-N 3.43Å; I99-A101 VanDerWaalsContact C-N 3.31Å; I99-A101 PolarHBondContact O-N 3.29Å; I99-S102 PolarHBondContact O-N 3.45Å; I99-S102 PolarHBondContact O-OG 2.92Å; I99-L103 HydrophobicContact CG2-CD2 4.23Å; I99-L103 VanDerWaalsContact O-CG 3.3Å; I99-L103 WeakPolarHBondContact O-CG 3.33Å; I99-L103 PolarHBondContact O-N 3.11Å
100R95.3Very high95.9Very high172 Ų172101.2 Ų101.265%0.64947%0.471SS*.Hα-helixtrans-65.9-34.7179-74.6-175.979.577.89.5112.7Q96 R97 A98 S102Q96-R100 WeakPolarHBondContact O-CB 3.49Å; Q96-R100 WeakPolarHBondContact O-CG 3.36Å; Q96-R100 PolarHBondContact O-N 2.81Å; R97-R100 PolarHBondContact O-N 3.23Å; A98-R100 VanDerWaalsContact C-N 3.31Å; A98-R100 PolarHBondContact O-N 2.78Å; R100-S102 VanDerWaalsContact C-N 3.32Å
101A95.7Very high96Very high87 Ų8799.6 Ų99.672%0.71947%0.471SS*.Hα-helixtrans-70.1-31.3175.200000111.9R97 A98 I99R97-A101 PolarHBondContact O-N 3.47Å; A98-A101 PolarHBondContact O-N 3.34Å; A98-A101 VanDerWaalsContact O-N 3.16Å; I99-A101 VanDerWaalsContact C-N 3.31Å; I99-A101 PolarHBondContact O-N 3.29Å
102S96Very high96.2Very high87 Ų87103.8 Ų103.861%0.60849%0.491SS*.THydrogen-bonded Turntrans-86.7-1.5-177.972.90000115.3A98 I99 R100 N104A98-S102 PolarHBondContact O-N 3.34Å; I99-S102 PolarHBondContact O-N 3.45Å; I99-S102 PolarHBondContact O-OG 2.92Å; R100-S102 VanDerWaalsContact C-N 3.32Å; S102-N104 PolarHBondContact O-N 2.84Å
103L95.8Very high96.3Very high30 Ų30101.3 Ų101.316%0.15748%0.484CS..  trans-68.5133.1-174.9-65.3-178.5000112.3I99 E107 R108 V111I99-L103 HydrophobicContact CG2-CD2 4.23Å; I99-L103 VanDerWaalsContact O-CG 3.3Å; I99-L103 WeakPolarHBondContact O-CG 3.33Å; I99-L103 PolarHBondContact O-N 3.11Å; L103-E107 WeakPolarHBondContact CA-OE2 3.18Å; L103-E107 HydrophobicContact CB-CB 4.23Å; L103-E107 HydrophobicContact CD2-CB 4.07Å; L103-E107 WeakPolarHBondContact CD2-OE2 3.17Å; L103-R108 HydrophobicContact CB-CG 3.98Å; L103-R108 HydrophobicContact CD1-CG 4.47Å; L103-R108 PolarHBondContact O-NH1 3.25Å; L103-V111 HydrophobicContact CD1-CG2 4.16Å
104N97Very high96.4Very high78 Ų7896.3 Ų96.342%0.41748%0.479SS..  trans-74.7170.6169.166.644.1000111.7S102 F106 E107 R108S102-N104 PolarHBondContact O-N 2.84Å; N104-F106 PolarHBondContact O-N 2.86Å; N104-F106 PolarHBondContact OD1-N 3.05Å; N104-E107 VanDerWaalsContact CG-CD 3.4Å; N104-E107 PolarHBondContact N-OE2 2.74Å; N104-E107 PolarHBondContact ND2-OE1 3.49Å; N104-E107 VanDerWaalsContact ND2-OE1 3.07Å; N104-E107 PolarHBondContact ND2-OE2 2.93Å; N104-E107 PolarHBondContact O-N 3.19Å; N104-E107 VanDerWaalsContact OD1-CB 3.3Å; N104-E107 WeakPolarHBondContact OD1-CB 3.31Å; N104-E107 WeakPolarHBondContact OD1-CG 3.45Å; N104-E107 PolarHBondContact OD1-N 3.28Å; N104-R108 WeakPolarHBondContact O-CG 3.19Å; N104-R108 PolarHBondContact O-N 2.67Å
105D97.4Very high96.6Very high112 Ų11299.8 Ų99.860%0.59949%0.493SS*.Hα-helixtrans-62.8-41.8-175.5-16465.5000113.3E107 R108 Y109D105-E107 VanDerWaalsContact C-N 3.34Å; D105-E107 PolarHBondContact O-N 3.42Å; D105-R108 WeakPolarHBondContact O-CB 3.28Å; D105-R108 PolarHBondContact O-N 3.04Å; D105-R108 VanDerWaalsContact O-N 3.16Å; D105-R108 IonicContact OD1-CZ 2.86Å; D105-R108 IonicContact OD1-NE 2.78Å; D105-R108 IonicContact OD1-NH2 2.77Å; D105-R108 PolarHBondContact OD1-NH2 3.3Å; D105-Y109 PolarHBondContact O-N 2.79Å
106F97.3Very high96.8Very high127 Ų127102.8 Ų102.856%0.55750%0.501SS*.Hα-helixtrans-63.1-39.6177.9-177-126.4000112.5N104 Y109 K110N104-F106 PolarHBondContact O-N 2.86Å; N104-F106 PolarHBondContact OD1-N 3.05Å; F106-Y109 WeakPolarHBondContact O-CB 3.44Å; F106-Y109 PolarHBondContact O-N 3.02Å; F106-K110 HydrophobicContact CE1-CD 4.38Å; F106-K110 VanDerWaalsContact CZ-CE 3.41Å; F106-K110 WeakPolarHBondContact O-CG 3.42Å; F106-K110 PolarHBondContact O-N 3.33Å
107E97.2Very high96.9Very high70 Ų70101 Ų10133%0.32750%0.501SS..Hα-helixtrans-66-39.9173.7-74163.8-179.600111.8L103 N104 D105 Y109 K110 V111L103-E107 WeakPolarHBondContact CA-OE2 3.18Å; L103-E107 HydrophobicContact CB-CB 4.23Å; L103-E107 HydrophobicContact CD2-CB 4.07Å; L103-E107 WeakPolarHBondContact CD2-OE2 3.17Å; N104-E107 VanDerWaalsContact CG-CD 3.4Å; N104-E107 PolarHBondContact N-OE2 2.74Å; N104-E107 PolarHBondContact ND2-OE1 3.49Å; N104-E107 VanDerWaalsContact ND2-OE1 3.07Å; N104-E107 PolarHBondContact ND2-OE2 2.93Å; N104-E107 PolarHBondContact O-N 3.19Å; N104-E107 VanDerWaalsContact OD1-CB 3.3Å; N104-E107 WeakPolarHBondContact OD1-CB 3.31Å; N104-E107 WeakPolarHBondContact OD1-CG 3.45Å; N104-E107 PolarHBondContact OD1-N 3.28Å; D105-E107 VanDerWaalsContact C-N 3.34Å; D105-E107 PolarHBondContact O-N 3.42Å; E107-Y109 VanDerWaalsContact C-N 3.29Å; E107-Y109 PolarHBondContact O-N 3.3Å; E107-K110 WeakPolarHBondContact O-CB 3.25Å; E107-K110 PolarHBondContact O-N 3.3Å; E107-V111 WeakPolarHBondContact O-CG2 3.45Å; E107-V111 PolarHBondContact O-N 3.16Å
108R97.3Very high97Very high129 Ų129100.9 Ų100.949%0.48750%0.5SS..Hα-helixtrans-60.8-40.4173.5-71.3-173.4-62.1-106.59.7111.3L103 N104 D105 V111 M112L103-R108 HydrophobicContact CB-CG 3.98Å; L103-R108 HydrophobicContact CD1-CG 4.47Å; L103-R108 PolarHBondContact O-NH1 3.25Å; N104-R108 WeakPolarHBondContact O-CG 3.19Å; N104-R108 PolarHBondContact O-N 2.67Å; D105-R108 WeakPolarHBondContact O-CB 3.28Å; D105-R108 PolarHBondContact O-N 3.04Å; D105-R108 VanDerWaalsContact O-N 3.16Å; D105-R108 IonicContact OD1-CZ 2.86Å; D105-R108 IonicContact OD1-NE 2.78Å; D105-R108 IonicContact OD1-NH2 2.77Å; D105-R108 PolarHBondContact OD1-NH2 3.3Å; R108-V111 PolarHBondContact O-N 2.93Å; R108-M112 WeakPolarHBondContact O-CB 3.43Å; R108-M112 PolarHBondContact O-N 3.43Å
109Y97.7Very high97.1Very high119 Ų119101.4 Ų101.447%0.46750%0.495SS..Hα-helixtrans-61.5-45.9173.9179.8-95.1000112.3D105 F106 E107 V111 M112 K113D105-Y109 PolarHBondContact O-N 2.79Å; F106-Y109 WeakPolarHBondContact O-CB 3.44Å; F106-Y109 PolarHBondContact O-N 3.02Å; E107-Y109 VanDerWaalsContact C-N 3.29Å; E107-Y109 PolarHBondContact O-N 3.3Å; Y109-V111 PolarHBondContact O-N 3.35Å; Y109-M112 HydrophobicContact CD2-CE 3.68Å; Y109-M112 HydrophobicContact CE2-CE 3.77Å; Y109-M112 HydrophobicContact CG-CE 4.45Å; Y109-M112 WeakPolarHBondContact O-CB 3.47Å; Y109-M112 PolarHBondContact O-N 2.78Å; Y109-K113 HydrophobicContact CD1-CG 4.28Å; Y109-K113 HydrophobicContact CE1-CG 3.88Å; Y109-K113 PolarHBondContact O-N 3.43Å; Y109-K113 WeakPolarHBondContact OH-CE 3.34Å; Y109-K113 PolarHBondContact OH-NZ 3.09Å
110K97.9Very high97.2Very high113 Ų113104.5 Ų104.549%0.49150%0.501SS..Hα-helixtrans-57.7-47.6174.7-71.4175.4179174.40111.7F106 E107 M112 K113 A114F106-K110 HydrophobicContact CE1-CD 4.38Å; F106-K110 VanDerWaalsContact CZ-CE 3.41Å; F106-K110 WeakPolarHBondContact O-CG 3.42Å; F106-K110 PolarHBondContact O-N 3.33Å; E107-K110 WeakPolarHBondContact O-CB 3.25Å; E107-K110 PolarHBondContact O-N 3.3Å; K110-M112 VanDerWaalsContact C-N 3.33Å; K110-M112 PolarHBondContact O-N 3.16Å; K110-K113 PolarHBondContact O-N 2.89Å; K110-A114 WeakPolarHBondContact O-CB 3.45Å; K110-A114 PolarHBondContact O-N 3.01Å
111V97.2Very high97.4Very high57 Ų57101.6 Ų101.635%0.34550%0.498SS..Hα-helixtrans-60.7-41.8177.2170.90000111.2L103 E107 R108 Y109 K115L103-V111 HydrophobicContact CD1-CG2 4.16Å; E107-V111 WeakPolarHBondContact O-CG2 3.45Å; E107-V111 PolarHBondContact O-N 3.16Å; R108-V111 PolarHBondContact O-N 2.93Å; Y109-V111 PolarHBondContact O-N 3.35Å; V111-K115 VanDerWaalsContact O-CB 3.24Å; V111-K115 WeakPolarHBondContact O-CB 3.29Å; V111-K115 PolarHBondContact O-N 2.76Å
112M97.7Very high97.4Very high93 Ų93101.5 Ų101.546%0.45849%0.485SS..Hα-helixtrans-61.3-48.7176.8179.4-153.562.100111.5R108 Y109 K110 K115 R116R108-M112 WeakPolarHBondContact O-CB 3.43Å; R108-M112 PolarHBondContact O-N 3.43Å; Y109-M112 HydrophobicContact CD2-CE 3.68Å; Y109-M112 HydrophobicContact CE2-CE 3.77Å; Y109-M112 HydrophobicContact CG-CE 4.45Å; Y109-M112 WeakPolarHBondContact O-CB 3.47Å; Y109-M112 PolarHBondContact O-N 2.78Å; K110-M112 VanDerWaalsContact C-N 3.33Å; K110-M112 PolarHBondContact O-N 3.16Å; M112-K115 PolarHBondContact O-N 3.33Å; M112-R116 WeakPolarHBondContact O-CB 3.33Å; M112-R116 PolarHBondContact O-N 3.3Å
113K97.9Very high97.5Very high94 Ų94106 Ų10641%0.40949%0.488SS..Hα-helixtrans-61.6-46.1178.6-71-68.9-172.2170.20111.7Y109 K110 K115 R116 S117Y109-K113 HydrophobicContact CD1-CG 4.28Å; Y109-K113 HydrophobicContact CE1-CG 3.88Å; Y109-K113 PolarHBondContact O-N 3.43Å; Y109-K113 WeakPolarHBondContact OH-CE 3.34Å; Y109-K113 PolarHBondContact OH-NZ 3.09Å; K110-K113 PolarHBondContact O-N 2.89Å; K113-K115 PolarHBondContact O-N 2.94Å; K113-R116 PolarHBondContact O-N 3.38Å; K113-S117 PolarHBondContact O-N 3.31Å
114A97.8Very high97.6Very high64 Ų64108.9 Ų108.953%0.52950%0.503SS..Hα-helixtrans-60.2-44.3175.800000112K110 R116 S117 R118K110-A114 WeakPolarHBondContact O-CB 3.45Å; K110-A114 PolarHBondContact O-N 3.01Å; A114-R116 PolarHBondContact O-N 2.85Å; A114-S117 PolarHBondContact O-N 2.98Å; A114-R118 WeakPolarHBondContact O-CB 3.48Å; A114-R118 PolarHBondContact O-N 3.36Å
115K97.7Very high97.6Very high128 Ų128108.7 Ų108.756%0.55750%0.499SS*.Hα-helixtrans-61.8-41.9176.3-174.6-179.8178.8-174.70111.9V111 M112 K113 R118 N119V111-K115 VanDerWaalsContact O-CB 3.24Å; V111-K115 WeakPolarHBondContact O-CB 3.29Å; V111-K115 PolarHBondContact O-N 2.76Å; M112-K115 PolarHBondContact O-N 3.33Å; K113-K115 PolarHBondContact O-N 2.94Å; K115-R118 PolarHBondContact O-N 2.7Å; K115-N119 WeakPolarHBondContact O-CB 3.47Å; K115-N119 VanDerWaalsContact O-CG 3.26Å; K115-N119 PolarHBondContact O-N 2.9Å
116R98Very high97.6Very high185 Ų185108.2 Ų108.270%0.69850%0.495SS*.Hα-helixtrans-61.9-45.6177-172.8176.2-176.9174.6-1.3111.5M112 K113 A114 N119 R120M112-R116 WeakPolarHBondContact O-CB 3.33Å; M112-R116 PolarHBondContact O-N 3.3Å; K113-R116 PolarHBondContact O-N 3.38Å; A114-R116 PolarHBondContact O-N 2.85Å; R116-N119 PolarHBondContact O-N 2.87Å; R116-R120 PolarHBondContact O-N 2.71Å
117S97.8Very high97.5Very high73 Ų73103.5 Ų103.551%0.5148%0.482SS..Hα-helixtrans-60.6-50.8176.3-174.60000111.6K113 A114 N119 R120 L121K113-S117 PolarHBondContact O-N 3.31Å; A114-S117 PolarHBondContact O-N 2.98Å; S117-N119 PolarHBondContact O-N 3.46Å; S117-R120 WeakPolarHBondContact O-CB 3.48Å; S117-R120 PolarHBondContact O-N 3.33Å; S117-L121 PolarHBondContact O-N 3.05Å
118R97.7Very high97.5Very high156 Ų156107.3 Ų107.359%0.58949%0.494SS*.Hα-helixtrans-55.8-47.8176.7-171.8-165.4117.6-173.64.8112.4A114 K115 R120 L121 L122A114-R118 WeakPolarHBondContact O-CB 3.48Å; A114-R118 PolarHBondContact O-N 3.36Å; K115-R118 PolarHBondContact O-N 2.7Å; R118-R120 VanDerWaalsContact C-N 3.31Å; R118-R120 PolarHBondContact O-N 3.42Å; R118-L121 PolarHBondContact O-N 2.91Å; R118-L122 HydrophobicContact CG-CD1 4.16Å; R118-L122 WeakPolarHBondContact O-CG 3.43Å; R118-L122 PolarHBondContact O-N 2.93Å
119N98Very high97.5Very high72 Ų72105.5 Ų105.539%0.38549%0.493SS..Hα-helixtrans-66.1-33.2-178.4-75.4-1.8000112.3K115 R116 S117 R123K115-N119 WeakPolarHBondContact O-CB 3.47Å; K115-N119 VanDerWaalsContact O-CG 3.26Å; K115-N119 PolarHBondContact O-N 2.9Å; R116-N119 PolarHBondContact O-N 2.87Å; S117-N119 PolarHBondContact O-N 3.46Å; N119-R123 VanDerWaalsContact O-CB 3.3Å; N119-R123 WeakPolarHBondContact O-CB 3.44Å; N119-R123 PolarHBondContact O-N 3.28Å
120R97.9Very high97.4Very high149 Ų149107 Ų10756%0.56250%0.502SS*.Hα-helixtrans-61.7-47.3173.7-176.8179.7180-88.81.7111.1R116 S117 R118 R123 I124R116-R120 PolarHBondContact O-N 2.71Å; S117-R120 WeakPolarHBondContact O-CB 3.48Å; S117-R120 PolarHBondContact O-N 3.33Å; R118-R120 VanDerWaalsContact C-N 3.31Å; R118-R120 PolarHBondContact O-N 3.42Å; R120-R123 PolarHBondContact O-N 2.88Å; R120-I124 HydrophobicContact CG-CD1 4.27Å; R120-I124 WeakPolarHBondContact O-CG1 3.37Å; R120-I124 PolarHBondContact O-N 3.14Å; R120-I124 VanDerWaalsContact O-N 3.14Å
121L97.6Very high97.2Very high111 Ų111109.7 Ų109.758%0.58151%0.509SS*.Hα-helixtrans-63.4-47.7178.2-66.5173.9000111.8S117 R118 R123 I124 E125S117-L121 PolarHBondContact O-N 3.05Å; R118-L121 PolarHBondContact O-N 2.91Å; L121-R123 VanDerWaalsContact C-N 3.27Å; L121-R123 PolarHBondContact O-N 3.22Å; L121-I124 PolarHBondContact O-N 3.05Å; L121-I124 VanDerWaalsContact O-N 3.16Å; L121-E125 PolarHBondContact O-N 2.85Å
122L97.3Very high97.1Very high85 Ų85109.9 Ų109.945%0.44552%0.516SS..Hα-helixtrans-58.3-39.7176.5-73.3174.4000112.1R118 E125 M126R118-L122 HydrophobicContact CG-CD1 4.16Å; R118-L122 WeakPolarHBondContact O-CG 3.43Å; R118-L122 PolarHBondContact O-N 2.93Å; L122-E125 PolarHBondContact O-N 3.49Å; L122-M126 VanDerWaalsContact O-CB 3.32Å; L122-M126 WeakPolarHBondContact O-CB 3.37Å; L122-M126 VanDerWaalsContact O-CG 3.24Å; L122-M126 WeakPolarHBondContact O-CG 3.34Å; L122-M126 PolarHBondContact O-N 3.37Å
123R97.3Very high97Very high181 Ų181108.1 Ų108.168%0.68352%0.517SS*.Hα-helixtrans-64.2-41.3177.4-177176.764175.43.5112.2N119 R120 L121 G127N119-R123 VanDerWaalsContact O-CB 3.3Å; N119-R123 WeakPolarHBondContact O-CB 3.44Å; N119-R123 PolarHBondContact O-N 3.28Å; R120-R123 PolarHBondContact O-N 2.88Å; L121-R123 VanDerWaalsContact C-N 3.27Å; L121-R123 PolarHBondContact O-N 3.22Å; R123-G127 PolarHBondContact O-N 3.23Å
124I97.6Very high96.8Very high90 Ų90109.6 Ų109.646%0.46252%0.523SS..Hα-helixtrans-63.2-49177.4-67.2165.1000109.9R120 L121 G127 R128R120-I124 HydrophobicContact CG-CD1 4.27Å; R120-I124 WeakPolarHBondContact O-CG1 3.37Å; R120-I124 PolarHBondContact O-N 3.14Å; R120-I124 VanDerWaalsContact O-N 3.14Å; L121-I124 PolarHBondContact O-N 3.05Å; L121-I124 VanDerWaalsContact O-N 3.16Å; I124-G127 PolarHBondContact O-N 2.74Å; I124-R128 PolarHBondContact O-N 2.81Å
125E97.1Very high96.5Very high74 Ų74110.1 Ų110.135%0.34652%0.52SS..Hα-helixtrans-65.8-42.8-179-174.157.1-158.200112.3L121 L122 G127 R128 L129L121-E125 PolarHBondContact O-N 2.85Å; L122-E125 PolarHBondContact O-N 3.49Å; E125-G127 VanDerWaalsContact C-N 3.26Å; E125-G127 PolarHBondContact O-N 3.34Å; E125-R128 WeakPolarHBondContact O-CB 3.48Å; E125-R128 PolarHBondContact O-N 2.78Å; E125-R128 VanDerWaalsContact O-N 3.08Å; E125-R128 IonicContact OE1-CZ 2.99Å; E125-R128 IonicContact OE1-NE 2.67Å; E125-R128 PolarHBondContact OE1-NE 2.75Å; E125-R128 IonicContact OE1-NH2 2.79Å; E125-R128 PolarHBondContact OE1-NH2 2.78Å; E125-R128 IonicContact OE2-CZ 2.7Å; E125-R128 IonicContact OE2-NE 2.78Å; E125-R128 PolarHBondContact OE2-NE 2.77Å; E125-R128 VanDerWaalsContact OE2-NE 3.16Å; E125-R128 IonicContact OE2-NH2 3.32Å; E125-L129 HydrophobicContact CG-CD1 4.38Å; E125-L129 PolarHBondContact O-N 3.29Å
126M97Very high96.1Very high103 Ų103112 Ų11251%0.50753%0.528SS..Hα-helixtrans-61.3-36.3174-73.6-60.9-69.400112.1L122 L129 K130L122-M126 VanDerWaalsContact O-CB 3.32Å; L122-M126 WeakPolarHBondContact O-CB 3.37Å; L122-M126 VanDerWaalsContact O-CG 3.24Å; L122-M126 WeakPolarHBondContact O-CG 3.34Å; L122-M126 PolarHBondContact O-N 3.37Å; M126-L129 PolarHBondContact O-N 3.31Å; M126-L129 HydrophobicContact SD-CD1 4.28Å; M126-K130 WeakPolarHBondContact O-CB 3.5Å; M126-K130 VanDerWaalsContact O-CG 3.3Å; M126-K130 WeakPolarHBondContact O-CG 3.36Å; M126-K130 PolarHBondContact O-N 2.99Å
127G96.9Very high95.5Very high28 Ų28111.4 Ų111.429%0.28953%0.533SS..Hα-helixtrans-63.2-40.3172.800000112.5R123 I124 E125 R131R123-G127 PolarHBondContact O-N 3.23Å; I124-G127 PolarHBondContact O-N 2.74Å; E125-G127 VanDerWaalsContact C-N 3.26Å; E125-G127 PolarHBondContact O-N 3.34Å; G127-R131 WeakPolarHBondContact O-CG 2.98Å; G127-R131 PolarHBondContact O-N 3.37Å
128R96.5Very high94.6Very high150 Ų150114.1 Ų114.157%0.56654%0.538SS*.Hα-helixtrans-63.6-49.2174.3-169.4178.676.8140.74.4111.8I124 E125 K130 R131 A132I124-R128 PolarHBondContact O-N 2.81Å; E125-R128 WeakPolarHBondContact O-CB 3.48Å; E125-R128 PolarHBondContact O-N 2.78Å; E125-R128 VanDerWaalsContact O-N 3.08Å; E125-R128 IonicContact OE1-CZ 2.99Å; E125-R128 IonicContact OE1-NE 2.67Å; E125-R128 PolarHBondContact OE1-NE 2.75Å; E125-R128 IonicContact OE1-NH2 2.79Å; E125-R128 PolarHBondContact OE1-NH2 2.78Å; E125-R128 IonicContact OE2-CZ 2.7Å; E125-R128 IonicContact OE2-NE 2.78Å; E125-R128 PolarHBondContact OE2-NE 2.77Å; E125-R128 VanDerWaalsContact OE2-NE 3.16Å; E125-R128 IonicContact OE2-NH2 3.32Å; R128-K130 PolarHBondContact O-N 3.32Å; R128-R131 PolarHBondContact O-N 2.98Å; R128-A132 PolarHBondContact O-N 3.5Å
129L96.4Very high92.9Very high91 Ų91117.5 Ų117.548%0.47656%0.557SS.*Hα-helixtrans-61.2-42.1179-70.9173.1000112.4E125 M126 A132 A133E125-L129 HydrophobicContact CG-CD1 4.38Å; E125-L129 PolarHBondContact O-N 3.29Å; M126-L129 PolarHBondContact O-N 3.31Å; M126-L129 HydrophobicContact SD-CD1 4.28Å; L129-A132 PolarHBondContact O-N 3.37Å; L129-A133 WeakPolarHBondContact O-CB 3.31Å; L129-A133 PolarHBondContact O-N 2.81Å
130K95.7Very high92.7Very high150 Ų150119.8 Ų119.865%0.65257%0.565SS**Hα-helixtrans-61.9-42.9175.8-77.2-177.4176.6-167.10112.5M126 R128 A133 K134M126-K130 WeakPolarHBondContact O-CB 3.5Å; M126-K130 VanDerWaalsContact O-CG 3.3Å; M126-K130 WeakPolarHBondContact O-CG 3.36Å; M126-K130 PolarHBondContact O-N 2.99Å; R128-K130 PolarHBondContact O-N 3.32Å; K130-A133 PolarHBondContact O-N 2.76Å; K130-K134 PolarHBondContact O-N 3.44Å
131R94.8Very high92.4Very high170 Ų170118.2 Ų118.264%0.64257%0.565SS**Hα-helixtrans-62.8-43.9175.5-73.6-175.8-65.8-143.32.7111.7G127 R128 K134 V135G127-R131 WeakPolarHBondContact O-CG 2.98Å; G127-R131 PolarHBondContact O-N 3.37Å; R128-R131 PolarHBondContact O-N 2.98Å; R131-K134 PolarHBondContact O-N 3.33Å; R131-V135 WeakPolarHBondContact O-CG2 3.35Å; R131-V135 PolarHBondContact O-N 2.94Å; R131-V135 VanDerWaalsContact O-N 3.1Å
132A94.5Very high92.1Very high60 Ų60118.6 Ų118.650%0.49656%0.564SS.*Hα-helixtrans-64.1-39.2177.100000112.6R128 L129 V135 K136R128-A132 PolarHBondContact O-N 3.5Å; L129-A132 PolarHBondContact O-N 3.37Å; A132-V135 PolarHBondContact O-N 3.26Å; A132-K136 PolarHBondContact O-N 2.67Å; A132-K136 VanDerWaalsContact O-N 3.12Å
133A94.9Very high91.8Very high57 Ų57120.6 Ų120.647%0.47157%0.571SS.*Hα-helixtrans-62.8-43174.800000112L129 K130 V135 K136 E137L129-A133 WeakPolarHBondContact O-CB 3.31Å; L129-A133 PolarHBondContact O-N 2.81Å; K130-A133 PolarHBondContact O-N 2.76Å; A133-V135 PolarHBondContact O-N 2.79Å; A133-K136 PolarHBondContact O-N 3.22Å; A133-K136 VanDerWaalsContact O-N 3.16Å; A133-E137 PolarHBondContact O-N 2.79Å; A133-E137 VanDerWaalsContact O-N 3.07Å
134K93.8Very high91.4Very high124 Ų124116.8 Ų116.854%0.53956%0.564SS.*Hα-helixtrans-60.1-45.5175.7-166.2-179.3-172.8-81.30112.2K130 R131 K136 E137 E138K130-K134 PolarHBondContact O-N 3.44Å; R131-K134 PolarHBondContact O-N 3.33Å; K134-K136 PolarHBondContact O-N 3.34Å; K134-E137 PolarHBondContact O-N 3.34Å; K134-E137 VanDerWaalsContact O-N 3.16Å; K134-E138 IonicContact NZ-OE1 3.6Å; K134-E138 PolarHBondContact NZ-OE1 3.37Å; K134-E138 WeakPolarHBondContact O-CG 3.24Å; K134-E138 PolarHBondContact O-N 3.15Å; K134-E138 VanDerWaalsContact O-N 3.1Å
135V92.7Very high91Very high76 Ų76118.6 Ų118.646%0.46157%0.571SS.*Hα-helixtrans-64.2-29177.6173.40000112.2R131 A132 A133 K139R131-V135 WeakPolarHBondContact O-CG2 3.35Å; R131-V135 PolarHBondContact O-N 2.94Å; R131-V135 VanDerWaalsContact O-N 3.1Å; A132-V135 PolarHBondContact O-N 3.26Å; A133-V135 PolarHBondContact O-N 2.79Å; V135-K139 WeakPolarHBondContact O-CG 3.49Å
136K88.9Confident90.6Very high168 Ų168121.8 Ų121.873%0.7359%0.587SS**Hα-helixtrans-77.3-28.9175.9-172178.9177.6-175.70112.6A132 A133 K134 K139A132-K136 PolarHBondContact O-N 2.67Å; A132-K136 VanDerWaalsContact O-N 3.12Å; A133-K136 PolarHBondContact O-N 3.22Å; A133-K136 VanDerWaalsContact O-N 3.16Å; K134-K136 PolarHBondContact O-N 3.34Å; K136-K139 VanDerWaalsContact O-OXT 3.12Å
137E85.6Confident90.1Very high171 Ų171123.2 Ų123.280%0.79959%0.593SS**Hα-helixtrans-78-28.1176.8-170.8174.3-171.300112A133 K134 K139A133-E137 PolarHBondContact O-N 2.79Å; A133-E137 VanDerWaalsContact O-N 3.07Å; K134-E137 PolarHBondContact O-N 3.34Å; K134-E137 VanDerWaalsContact O-N 3.16Å; E137-K139 VanDerWaalsContact C-N 3.28Å; E137-K139 PolarHBondContact O-N 3.3Å
138E77.8Confident89.5Confident130 Ų130131.2 Ų131.261%0.60762%0.619SS**  trans-77.6-8.7174.3-70170-178.700113.6K134K134-E138 IonicContact NZ-OE1 3.6Å; K134-E138 PolarHBondContact NZ-OE1 3.37Å; K134-E138 WeakPolarHBondContact O-CG 3.24Å; K134-E138 PolarHBondContact O-N 3.15Å; K134-E138 VanDerWaalsContact O-N 3.1Å
139K62.9Low88.9Confident227 Ų227129.5 Ų129.599%0.98762%0.624SS**  trans-107.80178-75.9-174.5178-169.80111.4V135 K136 E137V135-K139 WeakPolarHBondContact O-CG 3.49Å; K136-K139 VanDerWaalsContact O-OXT 3.12Å; E137-K139 VanDerWaalsContact C-N 3.28Å; E137-K139 PolarHBondContact O-N 3.3Å

Retrieved 139 of 139 residues in 115.4 ms (Link to these results)

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