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Isoform A of Rho GTPase-activating protein Graf AlphaSync

Canonical isoform description: GTPase-activating protein for Rho family proteins1. Essential component of the CLIC (clathrin-independent carrier)/GEEC (GPI-anchored protein-enriched early endocytic compartment) endocytic pathway2. During hematopoiesis, inhibits Egfr-ras-MAPK signaling by promoting Spi-induced Egfr internalization through CLIC/GEEC endocytosis, thereby preventing plasmatocyte overproliferation3. Essential for normal mushroom body (MB) development and consequently the formation of olfactory long-term memories4. During MD development, required to stop the MB beta-lobe from crossing the brain midline, possibly acting via its role in the CLIC/GEEC endocytic pathway to down-regulate the Egfr-ras-MAPK signaling at the tip of the beta-lobes5. Required during embryo cellularization for maintaining and regulating the rate of actomyosin ring constriction6. During cellularization, inhibits Rho-GTP levels at the furrow canal tip in a spatiotemporal manner, thus delaying the onset of actomyosin contraction and ensuring appropriate closure of the cells at the base of nuclei after membrane extension7.

AlphaFold DB , UniProt , Accession X2JDY8-2 (canonical: X2JDY8), Species DROME (Drosophila melanogaster, Fruit fly), Gene Graf, Length 1,016 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
1M35.2Very low49.9Very low247 Ų247142.5 Ų142.5100%1.21782%0.815SS**  0132.60-75.6-63.2-152.200107.6
2G39.5Very low53.3Low86 Ų86138.1 Ų138.189%0.88778%0.782SS**  trans77.6148.4-171.200000113.2
3G39.3Very low56.3Low82 Ų82133.4 Ų133.485%0.84576%0.76SS**  cis-142.5146.2-6.300000111.1
4G39.3Very low58.9Low75 Ų75124.1 Ų124.177%0.77371%0.707SS**  trans-102.3124.2-167.300000115.2
5K40.3Very low61.2Low198 Ų198123.5 Ų123.586%0.86170%0.696SS**  trans22.896.7150.7-61.3180-179.3179.60117.2V7K5-V7 PolarHBondContact O-N 3.1Å
6N41.2Very low63.3Low173 Ų173121.7 Ų121.793%0.92568%0.678SS**  trans-66.690.9160.7-87.1-24.7000110.8
7V45.2Very low65.1Low115 Ų115123.6 Ų123.670%0.69768%0.681SS**  trans-67.5129.8162.6178.60000107.9K5 R9K5-V7 PolarHBondContact O-N 3.1Å; V7-R9 VanDerWaalsContact C-N 3.32Å; V7-R9 PolarHBondContact O-N 3.44Å
8R47.5Very low66.6Low246 Ų246121.4 Ų121.493%0.92867%0.665SS**  trans-64.191.6169.1-74.7-173.6179.8-179.40109.3
9R57.3Low68Low216 Ų216115.1 Ų115.182%0.81563%0.63SS**  trans-68144.9158.6-57.3-169.8-161-163.76.5107.8V7V7-R9 VanDerWaalsContact C-N 3.32Å; V7-R9 PolarHBondContact O-N 3.44Å
10G77.5Confident69.2Low66 Ų66113.9 Ų113.968%0.6862%0.622SS**  trans-70.5-178.4168.500000111.4
11L86.7Confident70.4Confident64 Ų64113.2 Ų113.234%0.33562%0.621SS.*PPolyproline II helixtrans-63.7144.4162-65170.2000109.3R32 E36L11-R32 HydrophobicContact CD2-CB 3.88Å; L11-E36 HydrophobicContact CD1-CB 3.97Å; L11-E36 HydrophobicContact CD1-CG 4.15Å
12E90.4Very high73.1Confident89 Ų89103.9 Ų103.942%0.41658%0.576SS.*PPolyproline II helixtrans-79.3143176.3-73.7155159.500109.2N29 R32 H33E12-N29 PolarHBondContact O-ND2 2.92Å; E12-N29 PolarHBondContact O-OD1 3.2Å; E12-R32 IonicContact OE2-CZ 3.87Å; E12-R32 VanDerWaalsContact OE2-CZ 3.23Å; E12-R32 IonicContact OE2-NH1 3.24Å; E12-R32 PolarHBondContact OE2-NH1 2.97Å; E12-R32 IonicContact OE2-NH2 2.66Å; E12-R32 PolarHBondContact OE2-NH2 2.87Å; E12-H33 PolarHBondContact O-NE2 3.41Å
13P92.3Very high75.7Confident77 Ų77100.4 Ų100.450%0.554%0.538SS..PPolyproline II helixtrans-52.5149.9179.3-2836.1000113.3E15 N29P13-E15 WeakPolarHBondContact CB-OE1 3.26Å; P13-E15 PolarHBondContact O-N 2.91Å; P13-N29 PolarHBondContact O-ND2 2.97Å
14L93.6Very high78.2Confident3 Ų3101.7 Ų101.72%0.01653%0.532CS..  trans-95.490.3172.9-67.4173000107.9F26 N29 L30 H33 V190 I193 Q194L14-F26 HydrophobicContact CD2-CD2 4.47Å; L14-F26 HydrophobicContact CD2-CE2 4.23Å; L14-N29 HydrophobicContact CD2-CB 4.04Å; L14-L30 HydrophobicContact CD1-CD1 3.95Å; L14-L30 HydrophobicContact CD2-CB 4.33Å; L14-H33 HydrophobicContact CD1-CB 4.16Å; L14-V190 HydrophobicContact CB-CG1 3.59Å; L14-V190 HydrophobicContact CB-CG2 4.42Å; L14-V190 VanDerWaalsContact O-CG1 3.26Å; L14-V190 WeakPolarHBondContact O-CG1 3.19Å; L14-I193 HydrophobicContact CD1-CB 4.31Å; L14-I193 HydrophobicContact CD1-CD1 4.22Å; L14-I193 HydrophobicContact CD1-CG2 3.87Å; L14-Q194 HydrophobicContact CB-CG 4.49Å; L14-Q194 PolarHBondContact O-NE2 3.21Å
15E93.6Very high80.7Confident116 Ų116103.8 Ų103.854%0.54253%0.525SS..  trans-68.9140.7-178.3-62.8-58.4159.200112P13 E17 E18 C19P13-E15 WeakPolarHBondContact CB-OE1 3.26Å; P13-E15 PolarHBondContact O-N 2.91Å; E15-E17 VanDerWaalsContact C-N 3.33Å; E15-E17 PolarHBondContact O-N 2.86Å; E15-E18 HydrophobicContact CB-CB 4.39Å; E15-E18 HydrophobicContact CB-CG 4.45Å; E15-C19 WeakPolarHBondContact O-CB 3.43Å; E15-C19 PolarHBondContact O-N 3.37Å; E15-C19 VanDerWaalsContact O-N 3.08Å
16F94.5Very high83.3Confident94 Ų9494.7 Ų94.741%0.41249%0.486SS..Hα-helixtrans-71.4-26.6-179.2-68-45.1000113.3C19 I20 L187 V190 L191F16-C19 PolarHBondContact O-N 3.49Å; F16-I20 WeakPolarHBondContact O-CD1 3.42Å; F16-I20 VanDerWaalsContact O-CG1 3.3Å; F16-I20 WeakPolarHBondContact O-CG1 3.48Å; F16-I20 PolarHBondContact O-N 3.24Å; F16-I20 VanDerWaalsContact O-N 3.15Å; F16-L187 HydrophobicContact CB-CD2 3.73Å; F16-L187 HydrophobicContact CD1-CD2 3.41Å; F16-L187 VanDerWaalsContact CD1-CD2 3.41Å; F16-L187 HydrophobicContact CE1-CD2 4.25Å; F16-L187 HydrophobicContact CG-CD2 3.84Å; F16-V190 HydrophobicContact CD1-CG1 3.9Å; F16-V190 HydrophobicContact CE1-CB 4.32Å; F16-V190 HydrophobicContact CE1-CG1 3.75Å; F16-L191 HydrophobicContact CE1-CB 4.32Å; F16-L191 HydrophobicContact CZ-CB 4.23Å; F16-L191 HydrophobicContact CZ-CD1 4.42Å
17E93.8Very high85.9Confident155 Ų15590 Ų9072%0.72446%0.455SS*.Hα-helixtrans-65.6-53.3175.6-174.9166.7-164.600110.7E15 C19 I20 V21E15-E17 VanDerWaalsContact C-N 3.33Å; E15-E17 PolarHBondContact O-N 2.86Å; E17-C19 VanDerWaalsContact C-N 3.25Å; E17-C19 PolarHBondContact O-N 2.94Å; E17-I20 PolarHBondContact O-N 2.95Å; E17-V21 WeakPolarHBondContact O-CG2 3.45Å; E17-V21 PolarHBondContact O-N 3.4Å
18E92.1Very high88.2Confident83 Ų8390.4 Ų90.439%0.38845%0.449SS..Hα-helixtrans-57.7-35.4172.7-73.6-62.2146.500112.9E15 I20 V21 D22 S23 F26E15-E18 HydrophobicContact CB-CB 4.39Å; E15-E18 HydrophobicContact CB-CG 4.45Å; E18-I20 VanDerWaalsContact C-N 3.3Å; E18-I20 PolarHBondContact O-N 3.26Å; E18-V21 PolarHBondContact O-N 3.24Å; E18-D22 PolarHBondContact O-N 3.36Å; E18-S23 VanDerWaalsContact OE2-CB 3.3Å; E18-S23 WeakPolarHBondContact OE2-CB 3.39Å; E18-S23 PolarHBondContact OE2-OG 3.48Å; E18-F26 HydrophobicContact CB-CB 4.16Å; E18-F26 HydrophobicContact CB-CD2 4.25Å; E18-F26 HydrophobicContact CB-CG 4.48Å
19C92.6Very high90.4Very high1 Ų179.3 Ų79.31%0.00741%0.408CS..Hα-helixtrans-67.3-25.6174.5-174.60000114E15 F16 E17 F26 L187 V190E15-C19 WeakPolarHBondContact O-CB 3.43Å; E15-C19 PolarHBondContact O-N 3.37Å; E15-C19 VanDerWaalsContact O-N 3.08Å; F16-C19 PolarHBondContact O-N 3.49Å; E17-C19 VanDerWaalsContact C-N 3.25Å; E17-C19 PolarHBondContact O-N 2.94Å; C19-F26 HydrophobicContact CB-CD2 4.3Å; C19-F26 HydrophobicContact CB-CE1 4.3Å; C19-F26 HydrophobicContact CB-CE2 3.65Å; C19-F26 HydrophobicContact CB-CZ 3.66Å; C19-F26 VanDerWaalsContact SG-CZ 3.52Å; C19-L187 HydrophobicContact CB-CD2 4.26Å; C19-V190 HydrophobicContact CB-CG2 4.22Å
20I93.1Very high92.2Very high92 Ų9269.2 Ų69.247%0.47237%0.37SS..Hα-helixtrans-86.1-37.4176.2-68.5162.4000110.6F16 E17 E18 D22 I183 L187F16-I20 WeakPolarHBondContact O-CD1 3.42Å; F16-I20 VanDerWaalsContact O-CG1 3.3Å; F16-I20 WeakPolarHBondContact O-CG1 3.48Å; F16-I20 PolarHBondContact O-N 3.24Å; F16-I20 VanDerWaalsContact O-N 3.15Å; E17-I20 PolarHBondContact O-N 2.95Å; E18-I20 VanDerWaalsContact C-N 3.3Å; E18-I20 PolarHBondContact O-N 3.26Å; I20-D22 PolarHBondContact O-N 3.39Å; I20-I183 HydrophobicContact CG1-CG2 4.16Å; I20-L187 HydrophobicContact CD1-CD2 4.39Å; I20-L187 HydrophobicContact CG1-CD2 4.19Å
21V92.6Very high93Very high100 Ų10069.3 Ų69.361%0.60636%0.355SS*.Hα-helixtrans-66.4-29173.2174.90000111.8E17 E18E17-V21 WeakPolarHBondContact O-CG2 3.45Å; E17-V21 PolarHBondContact O-N 3.4Å; E18-V21 PolarHBondContact O-N 3.24Å
22D92.9Very high93.4Very high50 Ų5070.2 Ų70.227%0.26736%0.355SS..THydrogen-bonded Turntrans56.745.3-176-161.826000113.4E18 I20 R27 Y182E18-D22 PolarHBondContact O-N 3.36Å; I20-D22 PolarHBondContact O-N 3.39Å; D22-R27 VanDerWaalsContact CG-NH2 3.29Å; D22-R27 IonicContact OD1-CZ 2.78Å; D22-R27 VanDerWaalsContact OD1-CZ 3.24Å; D22-R27 IonicContact OD1-NE 2.73Å; D22-R27 PolarHBondContact OD1-NE 2.9Å; D22-R27 IonicContact OD1-NH2 2.67Å; D22-R27 PolarHBondContact OD1-NH2 3.47Å; D22-R27 IonicContact OD2-CZ 3.48Å; D22-R27 IonicContact OD2-NE 3.94Å; D22-R27 IonicContact OD2-NH2 2.67Å; D22-R27 PolarHBondContact OD2-NH2 3.21Å; D22-Y182 PolarHBondContact OD1-OH 2.93Å; D22-Y182 PolarHBondContact OD2-OH 3.24Å
23S93.2Very high93.6Very high14 Ų1466.1 Ų66.110%0.09834%0.335CS..  trans-65.4154.8-175.569.90000112.8E18 D25 F26 R27E18-S23 VanDerWaalsContact OE2-CB 3.3Å; E18-S23 WeakPolarHBondContact OE2-CB 3.39Å; E18-S23 PolarHBondContact OE2-OG 3.48Å; S23-D25 PolarHBondContact O-N 3.07Å; S23-F26 WeakPolarHBondContact O-CB 3.49Å; S23-F26 PolarHBondContact O-N 3.48Å; S23-F26 WeakPolarHBondContact OG-CB 3.11Å; S23-F26 PolarHBondContact OG-N 2.92Å; S23-R27 PolarHBondContact O-N 2.77Å
24P93.7Very high93.7Very high109 Ų10964.6 Ų64.671%0.70832%0.321SS*.Hα-helixtrans-56.6-37.4171.1-25.535.8000112.5R27 E28P24-R27 PolarHBondContact O-N 3.19Å; P24-E28 PolarHBondContact O-N 3.43Å
25D91.8Very high93.7Very high118 Ų11870.5 Ų70.563%0.63135%0.347SS*.Hα-helixtrans-67.6-39.5177.4-57.4-82.6000112.2S23 E28 N29S23-D25 PolarHBondContact O-N 3.07Å; D25-E28 PolarHBondContact O-N 3.12Å; D25-N29 PolarHBondContact O-N 2.93Å
26F94.9Very high93.7Very high7 Ų769.1 Ų69.13%0.03134%0.34CS..Hα-helixtrans-59-48.7168.9170.6-108.5000111.3L14 E18 C19 S23 E28 N29 L30 V190L14-F26 HydrophobicContact CD2-CD2 4.47Å; L14-F26 HydrophobicContact CD2-CE2 4.23Å; E18-F26 HydrophobicContact CB-CB 4.16Å; E18-F26 HydrophobicContact CB-CD2 4.25Å; E18-F26 HydrophobicContact CB-CG 4.48Å; C19-F26 HydrophobicContact CB-CD2 4.3Å; C19-F26 HydrophobicContact CB-CE1 4.3Å; C19-F26 HydrophobicContact CB-CE2 3.65Å; C19-F26 HydrophobicContact CB-CZ 3.66Å; C19-F26 VanDerWaalsContact SG-CZ 3.52Å; S23-F26 WeakPolarHBondContact O-CB 3.49Å; S23-F26 PolarHBondContact O-N 3.48Å; S23-F26 WeakPolarHBondContact OG-CB 3.11Å; S23-F26 PolarHBondContact OG-N 2.92Å; F26-E28 VanDerWaalsContact C-N 3.3Å; F26-E28 PolarHBondContact O-N 3.47Å; F26-N29 PolarHBondContact O-N 3.48Å; F26-L30 HydrophobicContact CE1-CD2 4.15Å; F26-L30 HydrophobicContact CZ-CD2 4.13Å; F26-L30 VanDerWaalsContact O-CB 3.28Å; F26-L30 WeakPolarHBondContact O-CB 3.36Å; F26-L30 PolarHBondContact O-N 2.87Å; F26-V190 HydrophobicContact CE2-CG2 3.75Å; F26-V190 HydrophobicContact CZ-CG2 3.61Å
27R94.5Very high93.7Very high76 Ų7665.4 Ų65.429%0.28733%0.325SS..Hα-helixtrans-62-36.2178-71.4-74.9-177.5170.3-4.4112D22 S23 P24 N31 Y182D22-R27 VanDerWaalsContact CG-NH2 3.29Å; D22-R27 IonicContact OD1-CZ 2.78Å; D22-R27 VanDerWaalsContact OD1-CZ 3.24Å; D22-R27 IonicContact OD1-NE 2.73Å; D22-R27 PolarHBondContact OD1-NE 2.9Å; D22-R27 IonicContact OD1-NH2 2.67Å; D22-R27 PolarHBondContact OD1-NH2 3.47Å; D22-R27 IonicContact OD2-CZ 3.48Å; D22-R27 IonicContact OD2-NE 3.94Å; D22-R27 IonicContact OD2-NH2 2.67Å; D22-R27 PolarHBondContact OD2-NH2 3.21Å; S23-R27 PolarHBondContact O-N 2.77Å; P24-R27 PolarHBondContact O-N 3.19Å; R27-N31 VanDerWaalsContact O-CB 3.24Å; R27-N31 WeakPolarHBondContact O-CB 3.31Å; R27-N31 PolarHBondContact O-N 3.02Å; R27-N31 VanDerWaalsContact O-N 3.1Å; R27-Y182 PolarHBondContact NH2-OH 2.9Å; R27-Y182 VanDerWaalsContact NH2-OH 3.1Å
28E94Very high93.7Very high122 Ų12260.7 Ų60.757%0.5731%0.305SS*.Hα-helixtrans-69.8-43172.4-179.3162.3-17800112.4P24 D25 F26 N31 R32P24-E28 PolarHBondContact O-N 3.43Å; D25-E28 PolarHBondContact O-N 3.12Å; F26-E28 VanDerWaalsContact C-N 3.3Å; F26-E28 PolarHBondContact O-N 3.47Å; E28-N31 WeakPolarHBondContact O-CB 3.11Å; E28-N31 PolarHBondContact O-N 3.44Å; E28-R32 WeakPolarHBondContact O-CG 3.29Å; E28-R32 PolarHBondContact O-N 3.3Å
29N94.3Very high93.8Very high13 Ų1361.3 Ų61.37%0.0731%0.307CS..Hα-helixtrans-63.7-45176.6-164.520.1000111.6E12 P13 L14 D25 F26 N31 R32 H33E12-N29 PolarHBondContact O-ND2 2.92Å; E12-N29 PolarHBondContact O-OD1 3.2Å; P13-N29 PolarHBondContact O-ND2 2.97Å; L14-N29 HydrophobicContact CD2-CB 4.04Å; D25-N29 PolarHBondContact O-N 2.93Å; F26-N29 PolarHBondContact O-N 3.48Å; N29-N31 VanDerWaalsContact C-N 3.27Å; N29-N31 PolarHBondContact O-N 3.49Å; N29-R32 WeakPolarHBondContact O-CA 3.3Å; N29-R32 WeakPolarHBondContact O-CB 3.28Å; N29-R32 PolarHBondContact O-N 3.34Å; N29-R32 PolarHBondContact OD1-NH2 3.43Å; N29-H33 PolarHBondContact O-CD2 2.94Å; N29-H33 VanDerWaalsContact O-CD2 3.28Å; N29-H33 PolarHBondContact O-N 2.9Å; N29-H33 PolarHBondContact OD1-CD2 2.95Å
30L94.9Very high93.9Very high4 Ų462.5 Ų62.52%0.02132%0.315CS..Hα-helixtrans-54.9-43.6173.8-174.765.2000111.5L14 F26 R32 H33 E34 F142 Y189 I193L14-L30 HydrophobicContact CD1-CD1 3.95Å; L14-L30 HydrophobicContact CD2-CB 4.33Å; F26-L30 HydrophobicContact CE1-CD2 4.15Å; F26-L30 HydrophobicContact CZ-CD2 4.13Å; F26-L30 VanDerWaalsContact O-CB 3.28Å; F26-L30 WeakPolarHBondContact O-CB 3.36Å; F26-L30 PolarHBondContact O-N 2.87Å; L30-R32 PolarHBondContact O-N 3.44Å; L30-H33 WeakPolarHBondContact O-CB 3.49Å; L30-H33 PolarHBondContact O-N 3.05Å; L30-E34 WeakPolarHBondContact O-CG 3.48Å; L30-E34 PolarHBondContact O-N 2.86Å; L30-F142 HydrophobicContact CD2-CE1 3.78Å; L30-F142 HydrophobicContact CD2-CZ 3.74Å; L30-Y189 HydrophobicContact CD1-CD1 4.3Å; L30-Y189 HydrophobicContact CD1-CE1 3.97Å; L30-Y189 HydrophobicContact CD2-CE1 4.21Å; L30-Y189 HydrophobicContact CG-CE1 4.4Å; L30-I193 HydrophobicContact CD1-CD1 3.43Å; L30-I193 VanDerWaalsContact CD1-CD1 3.43Å
31N94.3Very high94Very high68 Ų6858.3 Ų58.336%0.36429%0.294SS..Hα-helixtrans-64.6-35.9174.9-173.6-1.8000112.7R27 E28 N29 K35R27-N31 VanDerWaalsContact O-CB 3.24Å; R27-N31 WeakPolarHBondContact O-CB 3.31Å; R27-N31 PolarHBondContact O-N 3.02Å; R27-N31 VanDerWaalsContact O-N 3.1Å; E28-N31 WeakPolarHBondContact O-CB 3.11Å; E28-N31 PolarHBondContact O-N 3.44Å; N29-N31 VanDerWaalsContact C-N 3.27Å; N29-N31 PolarHBondContact O-N 3.49Å; N31-K35 VanDerWaalsContact CG-NZ 3.32Å; N31-K35 PolarHBondContact ND2-NZ 3.06Å; N31-K35 WeakPolarHBondContact O-CB 3.44Å; N31-K35 WeakPolarHBondContact O-CD 3.28Å; N31-K35 VanDerWaalsContact O-CG 3.27Å; N31-K35 WeakPolarHBondContact O-CG 3.33Å; N31-K35 PolarHBondContact O-N 3.33Å; N31-K35 VanDerWaalsContact O-N 3.08Å; N31-K35 WeakPolarHBondContact OD1-CE 3.37Å; N31-K35 PolarHBondContact OD1-NZ 2.86Å
32R94Very high94.1Very high84 Ų8458.7 Ų58.732%0.31729%0.289SS..Hα-helixtrans-63.1-44.1171.4-70.5-177.4-80.2151.6-7111.5L11 E12 E28 N29 L30 K35 E36L11-R32 HydrophobicContact CD2-CB 3.88Å; E12-R32 IonicContact OE2-CZ 3.87Å; E12-R32 VanDerWaalsContact OE2-CZ 3.23Å; E12-R32 IonicContact OE2-NH1 3.24Å; E12-R32 PolarHBondContact OE2-NH1 2.97Å; E12-R32 IonicContact OE2-NH2 2.66Å; E12-R32 PolarHBondContact OE2-NH2 2.87Å; E28-R32 WeakPolarHBondContact O-CG 3.29Å; E28-R32 PolarHBondContact O-N 3.3Å; N29-R32 WeakPolarHBondContact O-CA 3.3Å; N29-R32 WeakPolarHBondContact O-CB 3.28Å; N29-R32 PolarHBondContact O-N 3.34Å; N29-R32 PolarHBondContact OD1-NH2 3.43Å; L30-R32 PolarHBondContact O-N 3.44Å; R32-K35 PolarHBondContact O-N 2.84Å; R32-E36 PolarHBondContact O-N 3.48Å; R32-E36 VanDerWaalsContact O-N 3.17Å
33H95.1Very high94.2Very high3 Ų359.3 Ų59.31%0.01429%0.29CS..Hα-helixtrans-63.1-44.8175.2-83.1-107.2000113E12 L14 N29 L30 K35 E36 L37 I193 Q197E12-H33 PolarHBondContact O-NE2 3.41Å; L14-H33 HydrophobicContact CD1-CB 4.16Å; N29-H33 PolarHBondContact O-CD2 2.94Å; N29-H33 VanDerWaalsContact O-CD2 3.28Å; N29-H33 PolarHBondContact O-N 2.9Å; N29-H33 PolarHBondContact OD1-CD2 2.95Å; L30-H33 WeakPolarHBondContact O-CB 3.49Å; L30-H33 PolarHBondContact O-N 3.05Å; H33-K35 PolarHBondContact O-N 2.97Å; H33-E36 PolarHBondContact O-N 3.44Å; H33-L37 WeakPolarHBondContact O-CB 3.35Å; H33-L37 PolarHBondContact O-N 2.67Å; H33-I193 HydrophobicContact CB-CG2 3.94Å; H33-Q197 PolarHBondContact CE1-OE1 3.1Å; H33-Q197 PolarHBondContact ND1-NE2 3.31Å; H33-Q197 PolarHBondContact ND1-OE1 3.43Å
34E94.4Very high94.3Very high44 Ų4458.9 Ų58.921%0.20629%0.286CS..Hα-helixtrans-60.2-44.8176.8-75.6-176.4-174.400112.2L30 L37 D38 K139 Y189L30-E34 WeakPolarHBondContact O-CG 3.48Å; L30-E34 PolarHBondContact O-N 2.86Å; E34-L37 PolarHBondContact O-N 3.04Å; E34-D38 PolarHBondContact O-N 2.99Å; E34-K139 VanDerWaalsContact CD-CE 3.42Å; E34-K139 WeakPolarHBondContact OE1-CE 3.42Å; E34-K139 WeakPolarHBondContact OE2-CE 3.45Å; E34-Y189 VanDerWaalsContact CD-OH 3.23Å; E34-Y189 WeakPolarHBondContact CG-OH 3.38Å; E34-Y189 WeakPolarHBondContact OE1-CE1 3.2Å; E34-Y189 PolarHBondContact OE1-OH 3.49Å
35K94.2Very high94.5Very high128 Ų12859.9 Ų59.956%0.55728%0.28SS*.Hα-helixtrans-61.8-44.5178.2-77164.4176149.30112.6N31 R32 H33 D38 H39N31-K35 VanDerWaalsContact CG-NZ 3.32Å; N31-K35 PolarHBondContact ND2-NZ 3.06Å; N31-K35 WeakPolarHBondContact O-CB 3.44Å; N31-K35 WeakPolarHBondContact O-CD 3.28Å; N31-K35 VanDerWaalsContact O-CG 3.27Å; N31-K35 WeakPolarHBondContact O-CG 3.33Å; N31-K35 PolarHBondContact O-N 3.33Å; N31-K35 VanDerWaalsContact O-N 3.08Å; N31-K35 WeakPolarHBondContact OD1-CE 3.37Å; N31-K35 PolarHBondContact OD1-NZ 2.86Å; R32-K35 PolarHBondContact O-N 2.84Å; H33-K35 PolarHBondContact O-N 2.97Å; K35-D38 PolarHBondContact O-N 3.29Å; K35-H39 WeakPolarHBondContact O-CB 3.43Å; K35-H39 PolarHBondContact O-N 3.37Å
36E93.4Very high94.7Very high86 Ų8661.8 Ų61.840%0.40228%0.278SS..Hα-helixtrans-68.5-38.3178.6-176.251.1-130.700111.7L11 R32 H33 D38 H39 T40L11-E36 HydrophobicContact CD1-CB 3.97Å; L11-E36 HydrophobicContact CD1-CG 4.15Å; R32-E36 PolarHBondContact O-N 3.48Å; R32-E36 VanDerWaalsContact O-N 3.17Å; H33-E36 PolarHBondContact O-N 3.44Å; E36-D38 PolarHBondContact O-N 3.4Å; E36-H39 WeakPolarHBondContact O-CB 3.3Å; E36-H39 PolarHBondContact O-N 2.82Å; E36-H39 IonicContact OE1-CD2 2.71Å; E36-T40 WeakPolarHBondContact O-CB 3.38Å; E36-T40 PolarHBondContact O-N 3.19Å; E36-T40 PolarHBondContact O-OG1 2.78Å; E36-T40 PolarHBondContact OE1-OG1 3.22Å
37L93.9Very high94.8Very high16 Ų1664.3 Ų64.38%0.08429%0.291CS..Hα-helixtrans-63.9-40.4175.4-17665.2000111.9H33 E34 S41 I132 V135 V196 I200H33-L37 WeakPolarHBondContact O-CB 3.35Å; H33-L37 PolarHBondContact O-N 2.67Å; E34-L37 PolarHBondContact O-N 3.04Å; L37-S41 WeakPolarHBondContact O-CB 3.37Å; L37-S41 PolarHBondContact O-N 3.09Å; L37-I132 HydrophobicContact CD1-CB 4.38Å; L37-I132 HydrophobicContact CD1-CD1 4.4Å; L37-I132 HydrophobicContact CD1-CG1 3.99Å; L37-I132 HydrophobicContact CD1-CG2 3.86Å; L37-I132 HydrophobicContact CD2-CG2 4.49Å; L37-I132 HydrophobicContact CG-CG2 3.96Å; L37-V135 HydrophobicContact CD2-CB 3.7Å; L37-V135 HydrophobicContact CD2-CG1 3.54Å; L37-V135 HydrophobicContact CD2-CG2 3.77Å; L37-V196 HydrophobicContact CD1-CG1 3.87Å; L37-I200 HydrophobicContact CD1-CD1 4.48Å
38D93.8Very high94.8Very high57 Ų5761.3 Ų61.331%0.30528%0.281SS..Hα-helixtrans-69.4-37.7173.1-105-33000112.5E34 K35 E36 S41 H42 K136E34-D38 PolarHBondContact O-N 2.99Å; K35-D38 PolarHBondContact O-N 3.29Å; E36-D38 PolarHBondContact O-N 3.4Å; D38-S41 WeakPolarHBondContact O-CB 3.3Å; D38-S41 PolarHBondContact O-N 3.31Å; D38-H42 PolarHBondContact O-N 3.21Å; D38-H42 VanDerWaalsContact O-N 3.1Å; D38-H42 PolarHBondContact O-ND1 3.41Å; D38-K136 WeakPolarHBondContact OD1-CE 3.49Å; D38-K136 IonicContact OD1-NZ 3.55Å; D38-K136 PolarHBondContact OD1-NZ 3.03Å; D38-K136 IonicContact OD2-NZ 2.7Å; D38-K136 PolarHBondContact OD2-NZ 3.2Å
39H94.6Very high94.9Very high95 Ų9560.3 Ų60.344%0.4428%0.275SS..Hα-helixtrans-58-51.2172.3-17581.2000110.9K35 E36 S41 H42 Q43K35-H39 WeakPolarHBondContact O-CB 3.43Å; K35-H39 PolarHBondContact O-N 3.37Å; E36-H39 WeakPolarHBondContact O-CB 3.3Å; E36-H39 PolarHBondContact O-N 2.82Å; E36-H39 IonicContact OE1-CD2 2.71Å; H39-S41 VanDerWaalsContact C-N 3.31Å; H39-S41 PolarHBondContact O-N 3.35Å; H39-H42 WeakPolarHBondContact O-CB 3.43Å; H39-H42 PolarHBondContact O-N 2.91Å; H39-Q43 PolarHBondContact CE1-NE2 3.29Å; H39-Q43 VanDerWaalsContact CE1-NE2 3.29Å; H39-Q43 PolarHBondContact NE2-NE2 2.87Å; H39-Q43 PolarHBondContact O-N 2.85Å
40T94.2Very high95Very high26 Ų2664.5 Ų64.516%0.1629%0.294CS..Hα-helixtrans-57.5-42175.3-70.30000111.7E36 H42 Q43 I44 I132 I200E36-T40 WeakPolarHBondContact O-CB 3.38Å; E36-T40 PolarHBondContact O-N 3.19Å; E36-T40 PolarHBondContact O-OG1 2.78Å; E36-T40 PolarHBondContact OE1-OG1 3.22Å; T40-H42 PolarHBondContact O-N 2.86Å; T40-Q43 PolarHBondContact O-N 3.33Å; T40-I44 HydrophobicContact CG2-CD1 3.74Å; T40-I44 HydrophobicContact CG2-CG1 4.25Å; T40-I44 WeakPolarHBondContact O-CG1 3.36Å; T40-I44 PolarHBondContact O-N 2.85Å; T40-I132 HydrophobicContact CG2-CD1 4.12Å; T40-I200 HydrophobicContact CG2-CD1 3.94Å
41S94.9Very high94.9Very high5 Ų564.9 Ų64.94%0.03530%0.296CS..Hα-helixtrans-58.1-34174.8-163.90000113.4L37 D38 H39 K45 R128L37-S41 WeakPolarHBondContact O-CB 3.37Å; L37-S41 PolarHBondContact O-N 3.09Å; D38-S41 WeakPolarHBondContact O-CB 3.3Å; D38-S41 PolarHBondContact O-N 3.31Å; H39-S41 VanDerWaalsContact C-N 3.31Å; H39-S41 PolarHBondContact O-N 3.35Å; S41-K45 WeakPolarHBondContact O-CB 3.45Å; S41-K45 PolarHBondContact O-N 3.42Å; S41-R128 PolarHBondContact O-NE 3.26Å; S41-R128 PolarHBondContact OG-NH2 3.21Å
42H95.6Very high94.9Very high107 Ų10765.5 Ų65.550%0.49530%0.296SS..Hα-helixtrans-78.1-40.4175.9-72.786.3000112.3D38 H39 T40 K45 R46D38-H42 PolarHBondContact O-N 3.21Å; D38-H42 VanDerWaalsContact O-N 3.1Å; D38-H42 PolarHBondContact O-ND1 3.41Å; H39-H42 WeakPolarHBondContact O-CB 3.43Å; H39-H42 PolarHBondContact O-N 2.91Å; T40-H42 PolarHBondContact O-N 2.86Å; H42-K45 WeakPolarHBondContact O-CB 3.47Å; H42-K45 PolarHBondContact O-N 3.45Å; H42-R46 PolarHBondContact O-N 3.03Å
43Q95.4Very high95Very high64 Ų6465.4 Ų65.430%0.29930%0.301SS..Hα-helixtrans-64.6-43.2176-59.1-65.213.600111.7H39 T40 K45 R46 I47H39-Q43 PolarHBondContact CE1-NE2 3.29Å; H39-Q43 VanDerWaalsContact CE1-NE2 3.29Å; H39-Q43 PolarHBondContact NE2-NE2 2.87Å; H39-Q43 PolarHBondContact O-N 2.85Å; T40-Q43 PolarHBondContact O-N 3.33Å; Q43-K45 VanDerWaalsContact C-N 3.29Å; Q43-K45 PolarHBondContact O-N 3.47Å; Q43-R46 WeakPolarHBondContact O-CB 3.41Å; Q43-R46 PolarHBondContact O-N 3.45Å; Q43-I47 WeakPolarHBondContact O-CG1 3.37Å; Q43-I47 PolarHBondContact O-N 2.67Å
44I95.3Very high95Very high4 Ų469.1 Ų69.12%0.02132%0.321CS..Hα-helixtrans-62.2-37.4174.7-64.7176000110.9T40 R46 I47 I48 F127 R128 I132 F204T40-I44 HydrophobicContact CG2-CD1 3.74Å; T40-I44 HydrophobicContact CG2-CG1 4.25Å; T40-I44 WeakPolarHBondContact O-CG1 3.36Å; T40-I44 PolarHBondContact O-N 2.85Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 3.28Å; I44-I47 PolarHBondContact O-N 2.93Å; I44-I48 HydrophobicContact CG2-CD1 3.86Å; I44-I48 HydrophobicContact CG2-CG1 4.42Å; I44-I48 WeakPolarHBondContact O-CD1 3.46Å; I44-I48 VanDerWaalsContact O-CG1 3.29Å; I44-I48 WeakPolarHBondContact O-CG1 3.23Å; I44-I48 PolarHBondContact O-N 2.77Å; I44-F127 HydrophobicContact CD1-CD1 4.13Å; I44-F127 HydrophobicContact CD1-CE1 4Å; I44-R128 HydrophobicContact CG2-CB 4.07Å; I44-R128 HydrophobicContact CG2-CG 4.29Å; I44-I132 HydrophobicContact CD1-CD1 3.74Å; I44-F204 HydrophobicContact CB-CE2 4.45Å; I44-F204 HydrophobicContact CD1-CD2 3.95Å; I44-F204 HydrophobicContact CD1-CE2 3.81Å; I44-F204 HydrophobicContact CD1-CG 4.48Å; I44-F204 HydrophobicContact CD1-CZ 4.22Å; I44-F204 HydrophobicContact CG1-CD2 4.33Å; I44-F204 HydrophobicContact CG1-CE2 3.66Å; I44-F204 HydrophobicContact CG1-CZ 3.84Å; I44-F204 HydrophobicContact CG2-CE2 4.09Å
45K96.2Very high94.9Very high130 Ų13067.2 Ų67.257%0.56531%0.312SS*.Hα-helixtrans-61.3-37.4173.4-167.4-175.5176.2-171.90112.3S41 H42 Q43 K49S41-K45 WeakPolarHBondContact O-CB 3.45Å; S41-K45 PolarHBondContact O-N 3.42Å; H42-K45 WeakPolarHBondContact O-CB 3.47Å; H42-K45 PolarHBondContact O-N 3.45Å; Q43-K45 VanDerWaalsContact C-N 3.29Å; Q43-K45 PolarHBondContact O-N 3.47Å; K45-K49 PolarHBondContact O-N 3.08Å
46R97.3Very high94.9Very high158 Ų15864.2 Ų64.260%0.59631%0.307SS*.Hα-helixtrans-68-46.5174.2-67.9174.466-1503.8111.4H42 Q43 I44 I48 K49 E50H42-R46 PolarHBondContact O-N 3.03Å; Q43-R46 WeakPolarHBondContact O-CB 3.41Å; Q43-R46 PolarHBondContact O-N 3.45Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 3.28Å; R46-I48 VanDerWaalsContact C-N 3.31Å; R46-I48 PolarHBondContact O-N 3.26Å; R46-K49 WeakPolarHBondContact O-CA 3.48Å; R46-K49 WeakPolarHBondContact O-CB 3.22Å; R46-K49 PolarHBondContact O-N 3.28Å; R46-E50 PolarHBondContact O-N 2.89Å
47I95.6Very high95Very high60 Ų6062.8 Ų62.831%0.30831%0.31SS..Hα-helixtrans-57.5-44.7177.5-66.3166.6000110.8Q43 I44 K49 E50 V51 F204 L208Q43-I47 WeakPolarHBondContact O-CG1 3.37Å; Q43-I47 PolarHBondContact O-N 2.67Å; I44-I47 PolarHBondContact O-N 2.93Å; I47-K49 VanDerWaalsContact C-N 3.3Å; I47-K49 PolarHBondContact O-N 3.29Å; I47-E50 PolarHBondContact O-N 2.97Å; I47-V51 HydrophobicContact CG2-CG2 4.27Å; I47-V51 WeakPolarHBondContact O-CB 3.23Å; I47-V51 VanDerWaalsContact O-CG2 3.31Å; I47-V51 WeakPolarHBondContact O-CG2 3.12Å; I47-V51 PolarHBondContact O-N 3.25Å; I47-F204 HydrophobicContact CD1-CZ 4.05Å; I47-L208 HydrophobicContact CG2-CD2 4.27Å
48I95Very high95.1Very high14 Ų1462.3 Ų62.37%0.07231%0.309CS..Hα-helixtrans-59.3-38.8175.6-69162.2000112I44 R46 K52 L124 E125 R128I44-I48 HydrophobicContact CG2-CD1 3.86Å; I44-I48 HydrophobicContact CG2-CG1 4.42Å; I44-I48 WeakPolarHBondContact O-CD1 3.46Å; I44-I48 VanDerWaalsContact O-CG1 3.29Å; I44-I48 WeakPolarHBondContact O-CG1 3.23Å; I44-I48 PolarHBondContact O-N 2.77Å; R46-I48 VanDerWaalsContact C-N 3.31Å; R46-I48 PolarHBondContact O-N 3.26Å; I48-K52 HydrophobicContact CG2-CD 4.24Å; I48-K52 WeakPolarHBondContact O-CB 3.44Å; I48-K52 WeakPolarHBondContact O-CG 3.42Å; I48-K52 PolarHBondContact O-N 3.08Å; I48-K52 VanDerWaalsContact O-N 3.11Å; I48-L124 HydrophobicContact CD1-CB 4.03Å; I48-L124 HydrophobicContact CG1-CB 3.66Å; I48-L124 HydrophobicContact CG1-CD1 4.19Å; I48-E125 HydrophobicContact CD1-CG 4.12Å; I48-E125 HydrophobicContact CG2-CG 4.06Å; I48-R128 HydrophobicContact CD1-CB 4.44Å
49K96.3Very high95.2Very high101 Ų10163.5 Ų63.544%0.43931%0.311SS..Hα-helixtrans-63.9-54.5174.9-179-162.6155.3-64.20110.8K45 R46 I47 V51 K52 D53K45-K49 PolarHBondContact O-N 3.08Å; R46-K49 WeakPolarHBondContact O-CA 3.48Å; R46-K49 WeakPolarHBondContact O-CB 3.22Å; R46-K49 PolarHBondContact O-N 3.28Å; I47-K49 VanDerWaalsContact C-N 3.3Å; I47-K49 PolarHBondContact O-N 3.29Å; K49-V51 VanDerWaalsContact C-N 3.3Å; K49-V51 PolarHBondContact O-N 2.97Å; K49-K52 WeakPolarHBondContact O-CB 3.43Å; K49-K52 PolarHBondContact O-N 3.14Å; K49-K52 VanDerWaalsContact O-N 3.07Å; K49-D53 WeakPolarHBondContact CE-OD2 3.47Å; K49-D53 IonicContact NZ-OD2 3.2Å; K49-D53 PolarHBondContact NZ-OD2 2.9Å; K49-D53 PolarHBondContact O-N 2.78Å
50E96.2Very high95.3Very high101 Ų10163.7 Ų63.747%0.47231%0.314SS..Hα-helixtrans-64.6-34.2-175.8-52.5-42.8131.200112.3R46 I47 D53 L54R46-E50 PolarHBondContact O-N 2.89Å; I47-E50 PolarHBondContact O-N 2.97Å; E50-D53 PolarHBondContact O-N 3.43Å; E50-L54 VanDerWaalsContact O-CB 3.23Å; E50-L54 WeakPolarHBondContact O-CB 3.44Å; E50-L54 PolarHBondContact O-N 2.73Å
51V93.9Very high95.4Very high12 Ų1266.1 Ų66.17%0.07333%0.326CS..Hα-helixtrans-63.9-42.2171.9170.80000111.4I47 K49 M55 I121 F211I47-V51 HydrophobicContact CG2-CG2 4.27Å; I47-V51 WeakPolarHBondContact O-CB 3.23Å; I47-V51 VanDerWaalsContact O-CG2 3.31Å; I47-V51 WeakPolarHBondContact O-CG2 3.12Å; I47-V51 PolarHBondContact O-N 3.25Å; K49-V51 VanDerWaalsContact C-N 3.3Å; K49-V51 PolarHBondContact O-N 2.97Å; V51-M55 HydrophobicContact CG1-SD 4.4Å; V51-M55 WeakPolarHBondContact O-CB 3.43Å; V51-M55 WeakPolarHBondContact O-CG 3.46Å; V51-M55 PolarHBondContact O-N 2.89Å; V51-I121 HydrophobicContact CG1-CD1 4.42Å; V51-I121 HydrophobicContact CG1-CG1 3.99Å; V51-F211 HydrophobicContact CG1-CE2 4.02Å; V51-F211 HydrophobicContact CG1-CZ 4.21Å; V51-F211 HydrophobicContact CG2-CZ 4.41Å
52K94.3Very high95.4Very high81 Ų8166.2 Ų66.235%0.35233%0.327SS..Hα-helixtrans-63.8-43.7175.4-81.6178.2169.8-173.10112.5I48 K49 M55 S56 I121 E125I48-K52 HydrophobicContact CG2-CD 4.24Å; I48-K52 WeakPolarHBondContact O-CB 3.44Å; I48-K52 WeakPolarHBondContact O-CG 3.42Å; I48-K52 PolarHBondContact O-N 3.08Å; I48-K52 VanDerWaalsContact O-N 3.11Å; K49-K52 WeakPolarHBondContact O-CB 3.43Å; K49-K52 PolarHBondContact O-N 3.14Å; K49-K52 VanDerWaalsContact O-N 3.07Å; K52-M55 PolarHBondContact O-N 3.44Å; K52-S56 WeakPolarHBondContact O-CB 3.38Å; K52-S56 PolarHBondContact O-N 2.74Å; K52-I121 HydrophobicContact CG-CD1 3.68Å; K52-I121 HydrophobicContact CG-CG1 4.16Å; K52-I121 HydrophobicContact CG-CG2 4.48Å; K52-E125 IonicContact NZ-OE1 2.79Å; K52-E125 PolarHBondContact NZ-OE1 2.8Å
53D95.7Very high95.5Very high81 Ų8165.5 Ų65.543%0.43333%0.33SS..Hα-helixtrans-67.9-42.3-179.7-66.3-20.2000111.3K49 E50 S56 A57K49-D53 WeakPolarHBondContact CE-OD2 3.47Å; K49-D53 IonicContact NZ-OD2 3.2Å; K49-D53 PolarHBondContact NZ-OD2 2.9Å; K49-D53 PolarHBondContact O-N 2.78Å; E50-D53 PolarHBondContact O-N 3.43Å; D53-S56 WeakPolarHBondContact O-CB 3.48Å; D53-S56 PolarHBondContact O-N 3.07Å; D53-A57 PolarHBondContact O-N 3.1Å
54L94.6Very high95.6Very high82 Ų8270.9 Ų70.943%0.42935%0.347SS..Hα-helixtrans-58.8-46.1171.5171.758.4000112E50 S56 A57 A58 F211 W215E50-L54 VanDerWaalsContact O-CB 3.23Å; E50-L54 WeakPolarHBondContact O-CB 3.44Å; E50-L54 PolarHBondContact O-N 2.73Å; L54-S56 VanDerWaalsContact C-N 3.34Å; L54-S56 PolarHBondContact O-N 2.67Å; L54-A57 PolarHBondContact O-N 2.7Å; L54-A58 WeakPolarHBondContact O-CB 3.44Å; L54-A58 PolarHBondContact O-N 3.12Å; L54-F211 HydrophobicContact CD2-CE1 4.48Å; L54-F211 HydrophobicContact CD2-CZ 3.98Å; L54-W215 HydrophobicContact CD2-CZ2 4.43Å; L54-W215 HydrophobicContact CG-CZ2 4.33Å
55M92.3Very high95.7Very high3 Ų373.6 Ų73.62%0.01536%0.361CS..Hα-helixtrans-66.6-35.2177.8-79.2-168.454.300113V51 K52 A58 K59 L113 A116 D117 I121V51-M55 HydrophobicContact CG1-SD 4.4Å; V51-M55 WeakPolarHBondContact O-CB 3.43Å; V51-M55 WeakPolarHBondContact O-CG 3.46Å; V51-M55 PolarHBondContact O-N 2.89Å; K52-M55 PolarHBondContact O-N 3.44Å; M55-A58 PolarHBondContact O-N 3.3Å; M55-K59 WeakPolarHBondContact O-CB 2.97Å; M55-K59 VanDerWaalsContact O-CG 3.3Å; M55-K59 WeakPolarHBondContact O-CG 3.33Å; M55-K59 PolarHBondContact O-N 3.43Å; M55-L113 HydrophobicContact CE-CD2 4.48Å; M55-L113 WeakPolarHBondContact CE-O 3.42Å; M55-L113 HydrophobicContact CG-CD2 4.26Å; M55-A116 HydrophobicContact CE-CB 3.87Å; M55-A116 HydrophobicContact SD-CB 3.62Å; M55-D117 HydrophobicContact CE-CB 3.77Å; M55-D117 WeakPolarHBondContact CE-OD1 3.48Å; M55-I121 HydrophobicContact CE-CD1 4.16Å; M55-I121 HydrophobicContact SD-CD1 3.49Å; M55-I121 WeakPolarHBondContact SD-CD1 3.48Å; M55-I121 HydrophobicContact SD-CG1 4.25Å
56S94Very high95.7Very high65 Ų6569.4 Ų69.446%0.45534%0.343SS..Hα-helixtrans-62.1-49.3172.4-171.50000111K52 D53 L54 A58 K59 I60K52-S56 WeakPolarHBondContact O-CB 3.38Å; K52-S56 PolarHBondContact O-N 2.74Å; D53-S56 WeakPolarHBondContact O-CB 3.48Å; D53-S56 PolarHBondContact O-N 3.07Å; L54-S56 VanDerWaalsContact C-N 3.34Å; L54-S56 PolarHBondContact O-N 2.67Å; S56-A58 VanDerWaalsContact C-N 3.33Å; S56-A58 PolarHBondContact O-N 2.67Å; S56-K59 PolarHBondContact O-N 3.16Å; S56-I60 WeakPolarHBondContact O-CG1 3.25Å; S56-I60 PolarHBondContact O-N 3.16Å
57A96.7Very high95.7Very high56 Ų5666.2 Ų66.246%0.46333%0.334SS..Hα-helixtrans-59.7-41.117600000112.5D53 L54 I60 L61D53-A57 PolarHBondContact O-N 3.1Å; L54-A57 PolarHBondContact O-N 2.7Å; A57-I60 PolarHBondContact O-N 2.93Å; A57-L61 PolarHBondContact O-N 3.37Å
58A95.9Very high95.8Very high7 Ų767.1 Ų67.16%0.05834%0.339CS..Hα-helixtrans-68.6-37.3178.100000113.2L54 M55 S56 L61 S62 L113 W215L54-A58 WeakPolarHBondContact O-CB 3.44Å; L54-A58 PolarHBondContact O-N 3.12Å; M55-A58 PolarHBondContact O-N 3.3Å; S56-A58 VanDerWaalsContact C-N 3.33Å; S56-A58 PolarHBondContact O-N 2.67Å; A58-L61 PolarHBondContact O-N 2.95Å; A58-S62 PolarHBondContact O-N 3.28Å; A58-L113 HydrophobicContact CB-CD1 3.89Å; A58-L113 HydrophobicContact CB-CD2 3.6Å; A58-L113 HydrophobicContact CB-CG 4.37Å; A58-W215 HydrophobicContact CB-CH2 3.96Å
59K95.1Very high95.9Very high81 Ų8166.9 Ų66.935%0.35234%0.34SS..Hα-helixtrans-63.9-40.5171.5-75.3171.6175.7176.10111.6M55 S56 S62 T63 L113 D117M55-K59 WeakPolarHBondContact O-CB 2.97Å; M55-K59 VanDerWaalsContact O-CG 3.3Å; M55-K59 WeakPolarHBondContact O-CG 3.33Å; M55-K59 PolarHBondContact O-N 3.43Å; S56-K59 PolarHBondContact O-N 3.16Å; K59-S62 PolarHBondContact O-N 3.24Å; K59-T63 WeakPolarHBondContact O-CB 3.28Å; K59-T63 PolarHBondContact O-N 2.95Å; K59-T63 PolarHBondContact O-OG1 3.48Å; K59-L113 HydrophobicContact CG-CD1 4.08Å; K59-D117 VanDerWaalsContact NZ-CG 3.3Å; K59-D117 IonicContact NZ-OD1 2.68Å; K59-D117 IonicContact NZ-OD2 2.73Å; K59-D117 PolarHBondContact NZ-OD2 3.2Å
60I96.3Very high95.9Very high99 Ų9966.2 Ų66.251%0.50834%0.34SS..Hα-helixtrans-63.1-48.2174.3-67.7165.1000110.7S56 A57 S62 T63 R64S56-I60 WeakPolarHBondContact O-CG1 3.25Å; S56-I60 PolarHBondContact O-N 3.16Å; A57-I60 PolarHBondContact O-N 2.93Å; I60-S62 VanDerWaalsContact C-N 3.35Å; I60-S62 PolarHBondContact O-N 3.23Å; I60-T63 PolarHBondContact O-N 3.38Å; I60-R64 WeakPolarHBondContact O-CG 3.3Å; I60-R64 PolarHBondContact O-N 3.26Å
61L96.9Very high95.9Very high78 Ų7866.5 Ų66.541%0.40834%0.344SS..Hα-helixtrans-55.8-48.9176.9175.459.4000111.3A57 A58 T63 R64 M65A57-L61 PolarHBondContact O-N 3.37Å; A58-L61 PolarHBondContact O-N 2.95Å; L61-T63 PolarHBondContact O-N 2.84Å; L61-R64 PolarHBondContact O-N 3.35Å; L61-R64 VanDerWaalsContact O-N 3.16Å; L61-M65 HydrophobicContact CD1-CG 3.91Å; L61-M65 HydrophobicContact CG-CG 4.39Å; L61-M65 WeakPolarHBondContact O-CG 3.48Å; L61-M65 PolarHBondContact O-N 3.47Å
62S96Very high96.1Very high7 Ų767.5 Ų67.55%0.04935%0.349CS..Hα-helixtrans-60.5-44.6179.2-156.30000112.3A58 K59 I60 R64 M65 K66 E106A58-S62 PolarHBondContact O-N 3.28Å; K59-S62 PolarHBondContact O-N 3.24Å; I60-S62 VanDerWaalsContact C-N 3.35Å; I60-S62 PolarHBondContact O-N 3.23Å; S62-R64 VanDerWaalsContact C-N 3.29Å; S62-R64 PolarHBondContact O-N 2.88Å; S62-M65 PolarHBondContact O-N 2.91Å; S62-K66 WeakPolarHBondContact O-CG 3.28Å; S62-K66 PolarHBondContact O-N 3.01Å; S62-E106 WeakPolarHBondContact CA-OE2 3.47Å; S62-E106 WeakPolarHBondContact CB-OE2 3.47Å; S62-E106 PolarHBondContact OG-O 3.1Å; S62-E106 PolarHBondContact OG-OE2 3.37Å
63T96Very high96Very high91 Ų9167.5 Ų67.556%0.55835%0.353SS*.Hα-helixtrans-57.8-41.2176-53.70000111.9K59 I60 L61 Q67K59-T63 WeakPolarHBondContact O-CB 3.28Å; K59-T63 PolarHBondContact O-N 2.95Å; K59-T63 PolarHBondContact O-OG1 3.48Å; I60-T63 PolarHBondContact O-N 3.38Å; L61-T63 PolarHBondContact O-N 2.84Å; T63-Q67 WeakPolarHBondContact O-CB 3.28Å; T63-Q67 PolarHBondContact O-N 3.44Å; T63-Q67 VanDerWaalsContact O-N 3.1Å
64R97.5Very high95.8Very high178 Ų17868.7 Ų68.767%0.67236%0.359SS*.Hα-helixtrans-72.6-38.7178.5-64-58.6179.4-169.4-1.7112.7I60 L61 S62 Q67 L68I60-R64 WeakPolarHBondContact O-CG 3.3Å; I60-R64 PolarHBondContact O-N 3.26Å; L61-R64 PolarHBondContact O-N 3.35Å; L61-R64 VanDerWaalsContact O-N 3.16Å; S62-R64 VanDerWaalsContact C-N 3.29Å; S62-R64 PolarHBondContact O-N 2.88Å; R64-Q67 PolarHBondContact O-N 2.57Å; R64-L68 PolarHBondContact O-N 3.3Å
65M97.5Very high95.6Very high60 Ų6069.7 Ų69.730%0.29636%0.36SS..Hα-helixtrans-67.1-41.2176.5-70.9-72.8-79.300111.9L61 S62 Q67 L68 A69 I102 E106L61-M65 HydrophobicContact CD1-CG 3.91Å; L61-M65 HydrophobicContact CG-CG 4.39Å; L61-M65 WeakPolarHBondContact O-CG 3.48Å; L61-M65 PolarHBondContact O-N 3.47Å; S62-M65 PolarHBondContact O-N 2.91Å; M65-Q67 PolarHBondContact O-N 2.97Å; M65-L68 WeakPolarHBondContact O-CB 3.45Å; M65-L68 PolarHBondContact O-N 3.21Å; M65-A69 PolarHBondContact O-N 3.46Å; M65-I102 HydrophobicContact CB-CG2 4.12Å; M65-I102 HydrophobicContact CE-CG2 4.06Å; M65-I102 WeakPolarHBondContact O-CG2 3.3Å; M65-E106 HydrophobicContact CB-CG 3.5Å; M65-E106 HydrophobicContact CG-CG 4.41Å
66K96.6Very high95.4Very high43 Ų4374.5 Ų74.519%0.18739%0.386CS..Hα-helixtrans-64.4-37.4172.1-66.2-168.5-172.8-161.50112.4S62 L68 A69 I70 E106 D107 E110S62-K66 WeakPolarHBondContact O-CG 3.28Å; S62-K66 PolarHBondContact O-N 3.01Å; K66-L68 VanDerWaalsContact C-N 3.34Å; K66-L68 PolarHBondContact O-N 3.42Å; K66-A69 WeakPolarHBondContact O-CB 3.42Å; K66-A69 PolarHBondContact O-N 2.99Å; K66-I70 WeakPolarHBondContact O-CG1 3.28Å; K66-I70 PolarHBondContact O-N 2.66Å; K66-I70 VanDerWaalsContact O-N 3.09Å; K66-E106 HydrophobicContact CD-CB 4.31Å; K66-E106 VanDerWaalsContact CE-C 3.41Å; K66-E106 WeakPolarHBondContact CE-O 3.42Å; K66-E106 HydrophobicContact CG-CB 3.74Å; K66-E106 HydrophobicContact CG-CG 4.46Å; K66-E106 PolarHBondContact NZ-O 2.79Å; K66-D107 IonicContact NZ-OD1 3.59Å; K66-D107 PolarHBondContact NZ-OD1 3.05Å; K66-E110 IonicContact NZ-OE2 2.75Å; K66-E110 PolarHBondContact NZ-OE2 3.49Å
67Q97Very high95Very high91 Ų9175.3 Ų75.343%0.42538%0.381SS..Hα-helixtrans-64.5-37173.4-176.26082.400112.7T63 R64 M65 L71T63-Q67 WeakPolarHBondContact O-CB 3.28Å; T63-Q67 PolarHBondContact O-N 3.44Å; T63-Q67 VanDerWaalsContact O-N 3.1Å; R64-Q67 PolarHBondContact O-N 2.57Å; M65-Q67 PolarHBondContact O-N 2.97Å; Q67-L71 WeakPolarHBondContact O-CG 3.31Å; Q67-L71 PolarHBondContact O-N 3.1Å
68L97.5Very high94.4Very high78 Ų7882 Ų8241%0.40840%0.403SS..Hα-helixtrans-65.3-43.2172.5176.361.2000111.4R64 M65 K66 I70 L71 L72 I102R64-L68 PolarHBondContact O-N 3.3Å; M65-L68 WeakPolarHBondContact O-CB 3.45Å; M65-L68 PolarHBondContact O-N 3.21Å; K66-L68 VanDerWaalsContact C-N 3.34Å; K66-L68 PolarHBondContact O-N 3.42Å; L68-I70 VanDerWaalsContact C-N 3.31Å; L68-I70 PolarHBondContact O-N 2.85Å; L68-L71 PolarHBondContact O-N 2.89Å; L68-L72 HydrophobicContact CD1-CD1 4.09Å; L68-L72 HydrophobicContact CD1-CG 4.13Å; L68-L72 HydrophobicContact CG-CD1 3.91Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 WeakPolarHBondContact O-CG 3.11Å; L68-L72 PolarHBondContact O-N 3.36Å; L68-I102 HydrophobicContact CD2-CD1 4.36Å
69A97.5Very high93.7Very high10 Ų1084.3 Ų84.38%0.08342%0.418CS..Hα-helixtrans-57.6-41.3176.600000113M65 K66 L72 N73 G99 I102M65-A69 PolarHBondContact O-N 3.46Å; K66-A69 WeakPolarHBondContact O-CB 3.42Å; K66-A69 PolarHBondContact O-N 2.99Å; A69-L72 PolarHBondContact O-N 3.31Å; A69-N73 WeakPolarHBondContact O-CB 3.49Å; A69-N73 PolarHBondContact O-N 2.75Å; A69-N73 VanDerWaalsContact O-N 3.07Å; A69-G99 WeakPolarHBondContact CB-O 3.41Å; A69-I102 HydrophobicContact CB-CB 4.11Å; A69-I102 HydrophobicContact CB-CG2 3.96Å
70I96.5Very high92.9Very high86 Ų8687.3 Ų87.344%0.44144%0.437SS..Hα-helixtrans-61.9-50.5174.9-67163.8000110.6K66 L68 L72 N73 D74K66-I70 WeakPolarHBondContact O-CG1 3.28Å; K66-I70 PolarHBondContact O-N 2.66Å; K66-I70 VanDerWaalsContact O-N 3.09Å; L68-I70 VanDerWaalsContact C-N 3.31Å; L68-I70 PolarHBondContact O-N 2.85Å; I70-L72 VanDerWaalsContact C-N 3.27Å; I70-L72 PolarHBondContact O-N 3.33Å; I70-N73 PolarHBondContact O-N 3.35Å; I70-D74 WeakPolarHBondContact CG2-OD2 3.04Å; I70-D74 PolarHBondContact O-N 3.36Å
71L96.8Very high91.9Very high108 Ų10884.9 Ų84.957%0.56544%0.436SS*.Hα-helixtrans-61.2-34.8-179.6-68.7170.3000112.9Q67 L68 F75Q67-L71 WeakPolarHBondContact O-CG 3.31Å; Q67-L71 PolarHBondContact O-N 3.1Å; L68-L71 PolarHBondContact O-N 2.89Å; L71-F75 PolarHBondContact O-N 3.36Å
72L96.7Very high91Very high33 Ų3386.7 Ų86.717%0.17345%0.45CS..Hα-helixtrans-71.1-31174.6-70.3169.1000112.7L68 A69 I70 L95 K96 F98 I102L68-L72 HydrophobicContact CD1-CD1 4.09Å; L68-L72 HydrophobicContact CD1-CG 4.13Å; L68-L72 HydrophobicContact CG-CD1 3.91Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 WeakPolarHBondContact O-CG 3.11Å; L68-L72 PolarHBondContact O-N 3.36Å; A69-L72 PolarHBondContact O-N 3.31Å; I70-L72 VanDerWaalsContact C-N 3.27Å; I70-L72 PolarHBondContact O-N 3.33Å; L72-L95 HydrophobicContact CB-CB 4.36Å; L72-L95 WeakPolarHBondContact CB-O 3.48Å; L72-L95 HydrophobicContact CD2-CB 4.22Å; L72-L95 HydrophobicContact CD2-CD2 4.1Å; L72-L95 CarbonylContact O-C 3.53Å; L72-L95 VanDerWaalsContact O-C 3.25Å; L72-L95 WeakPolarHBondContact O-CB 3.38Å; L72-K96 PolarHBondContact O-N 3.48Å; L72-F98 HydrophobicContact CD1-CB 4.25Å; L72-I102 HydrophobicContact CD1-CD1 3.72Å
73N92.7Very high90.4Very high80 Ų8087.7 Ų87.743%0.42846%0.459SS..Hα-helixtrans-79.6-34178.1-173.865.3000113.2A69 I70 F75 K96A69-N73 WeakPolarHBondContact O-CB 3.49Å; A69-N73 PolarHBondContact O-N 2.75Å; A69-N73 VanDerWaalsContact O-N 3.07Å; I70-N73 PolarHBondContact O-N 3.35Å; N73-F75 VanDerWaalsContact C-N 3.33Å; N73-K96 WeakPolarHBondContact O-CE 3.41Å
74D92.3Very high89.9Confident107 Ų10786.1 Ų86.157%0.57245%0.446SS*.Hα-helixtrans-79.2-16.3177.9-66.1-17.2000112.8I70 N76I70-D74 WeakPolarHBondContact CG2-OD2 3.04Å; I70-D74 PolarHBondContact O-N 3.36Å; D74-N76 PolarHBondContact O-ND2 3.42Å
75F91Very high89.6Confident103 Ų10377.9 Ų77.945%0.45242%0.415SS..  trans-68.6135.2176.2-163.9-79.5000111.7L71 N73 F77 L95L71-F75 PolarHBondContact O-N 3.36Å; N73-F75 VanDerWaalsContact C-N 3.33Å; F75-F77 AromaticContact CD1-CD2 4Å; F75-F77 HydrophobicContact CD1-CD2 4Å; F75-F77 AromaticContact CD1-CE2 3.91Å; F75-F77 HydrophobicContact CD1-CE2 3.91Å; F75-F77 HydrophobicContact CD1-CG 4.42Å; F75-F77 HydrophobicContact CD1-CZ 4.25Å; F75-F77 AromaticContact CE1-CD1 3.84Å; F75-F77 HydrophobicContact CE1-CD1 3.84Å; F75-F77 AromaticContact CE1-CD2 3.89Å; F75-F77 HydrophobicContact CE1-CD2 3.89Å; F75-F77 AromaticContact CE1-CE1 3.83Å; F75-F77 HydrophobicContact CE1-CE1 3.83Å; F75-F77 AromaticContact CE1-CE2 3.9Å; F75-F77 HydrophobicContact CE1-CE2 3.9Å; F75-F77 AromaticContact CE1-CG 3.88Å; F75-F77 HydrophobicContact CE1-CG 3.88Å; F75-F77 AromaticContact CE1-CZ 3.87Å; F75-F77 HydrophobicContact CE1-CZ 3.87Å; F75-L95 HydrophobicContact CB-CD1 3.95Å; F75-L95 HydrophobicContact CD1-CD1 3.49Å; F75-L95 VanDerWaalsContact CD1-CD1 3.49Å; F75-L95 HydrophobicContact CE1-CD1 4.1Å; F75-L95 HydrophobicContact CG-CD1 3.73Å
76N87.8Confident89.3Confident104 Ų10478.6 Ų78.656%0.55642%0.42SS*.  trans-135.4137.8175.3-66.2-89.8000109.1D74 K96D74-N76 PolarHBondContact O-ND2 3.42Å; N76-K96 WeakPolarHBondContact OD1-CE 3.15Å; N76-K96 PolarHBondContact OD1-NZ 3.42Å
77F85.3Confident89Confident81 Ų8177.7 Ų77.736%0.35542%0.417SS..  trans-91.4127.5-179.4-67.1-98.9000111.4F75 C92 L95F75-F77 AromaticContact CD1-CD2 4Å; F75-F77 HydrophobicContact CD1-CD2 4Å; F75-F77 AromaticContact CD1-CE2 3.91Å; F75-F77 HydrophobicContact CD1-CE2 3.91Å; F75-F77 HydrophobicContact CD1-CG 4.42Å; F75-F77 HydrophobicContact CD1-CZ 4.25Å; F75-F77 AromaticContact CE1-CD1 3.84Å; F75-F77 HydrophobicContact CE1-CD1 3.84Å; F75-F77 AromaticContact CE1-CD2 3.89Å; F75-F77 HydrophobicContact CE1-CD2 3.89Å; F75-F77 AromaticContact CE1-CE1 3.83Å; F75-F77 HydrophobicContact CE1-CE1 3.83Å; F75-F77 AromaticContact CE1-CE2 3.9Å; F75-F77 HydrophobicContact CE1-CE2 3.9Å; F75-F77 AromaticContact CE1-CG 3.88Å; F75-F77 HydrophobicContact CE1-CG 3.88Å; F75-F77 AromaticContact CE1-CZ 3.87Å; F75-F77 HydrophobicContact CE1-CZ 3.87Å; F77-C92 HydrophobicContact CB-CB 4.37Å; F77-C92 HydrophobicContact CD2-CB 4.1Å; F77-L95 HydrophobicContact CE2-CD1 3.67Å; F77-L95 HydrophobicContact CE2-CG 3.88Å; F77-L95 HydrophobicContact CZ-CD1 3.68Å; F77-L95 HydrophobicContact CZ-CG 4.06Å
78E83.8Confident88.8Confident197 Ų19774.6 Ų74.692%0.92140%0.403SS*.  trans-93.296.6167.2-67.1-171.3175.100109.8
79C81.3Confident88.5Confident56 Ų5674.5 Ų74.538%0.37840%0.402SS..  trans-87.2145.1-177.7-61.60000113.1G81 Q84 C92C79-G81 PolarHBondContact O-N 3.11Å; C79-Q84 HydrophobicContact CB-CG 4.24Å; C79-C92 VanDerWaalsContact SG-SG 3.62Å
80I78.4Confident88.3Confident144 Ų14476 Ų7674%0.73841%0.411SS*.SBendtrans-81.1110.8177.7-54.7175.2000110.2L560I80-L560 HydrophobicContact CG2-CD1 3.87Å
81G74.7Confident88.2Confident48 Ų4873.3 Ų73.350%0.49540%0.397SS..SBendtrans167.3178.5174.700000111.9C79C79-G81 PolarHBondContact O-N 3.11Å
82T78.9Confident88Confident115 Ų11569.2 Ų69.271%0.70638%0.377SS*.SBendtrans-89.2-19.2166.763.90000112.5K490T82-K490 PolarHBondContact OG1-NZ 3.21Å
83A82.9Confident87.8Confident28 Ų2871.9 Ų71.923%0.23139%0.389CS..SBendtrans-152.7161.5179.500000109.5K490 F564A83-K490 HydrophobicContact CB-CB 4.22Å; A83-K490 HydrophobicContact CB-CD 3.83Å; A83-K490 HydrophobicContact CB-CG 3.77Å; A83-F564 HydrophobicContact CB-CE1 4.48Å; A83-F564 HydrophobicContact CB-CE2 4.36Å; A83-F564 HydrophobicContact CB-CZ 3.79Å
84Q86.1Confident88Confident59 Ų5968.5 Ų68.528%0.27637%0.371SS..  trans-110.5152.9172.2-61.8-17027.500110.2C79 E88 N89 C92C79-Q84 HydrophobicContact CB-CG 4.24Å; Q84-E88 HydrophobicContact CB-CB 4.06Å; Q84-N89 WeakPolarHBondContact CB-OD1 3.49Å; Q84-N89 PolarHBondContact OE1-OD1 3.29Å; Q84-C92 PolarHBondContact OE1-SG 3.2Å
85T90.1Very high88.1Confident5 Ų564.9 Ų64.93%0.03135%0.352CS..  trans-82164.2170.358.10000111.6D87 E88 N89 K563 F564 I567T85-D87 PolarHBondContact O-N 3.45Å; T85-E88 WeakPolarHBondContact CB-OE2 3.43Å; T85-E88 WeakPolarHBondContact CG2-OE2 3.44Å; T85-E88 PolarHBondContact N-OE2 2.66Å; T85-E88 PolarHBondContact O-N 3.48Å; T85-E88 VanDerWaalsContact O-N 3.1Å; T85-E88 VanDerWaalsContact OG1-CD 3.31Å; T85-E88 WeakPolarHBondContact OG1-CG 3.24Å; T85-E88 PolarHBondContact OG1-OE2 2.85Å; T85-N89 PolarHBondContact O-N 3.26Å; T85-N89 PolarHBondContact O-ND2 3.47Å; T85-N89 VanDerWaalsContact O-ND2 3.14Å; T85-K563 HydrophobicContact CG2-CB 4.3Å; T85-K563 HydrophobicContact CG2-CD 3.5Å; T85-K563 VanDerWaalsContact CG2-CD 3.5Å; T85-K563 HydrophobicContact CG2-CG 3.74Å; T85-F564 HydrophobicContact CG2-CD1 4.23Å; T85-F564 HydrophobicContact CG2-CE1 3.71Å; T85-F564 HydrophobicContact CG2-CZ 4.09Å; T85-I567 HydrophobicContact CG2-CD1 3.51Å
86D90.6Very high88.3Confident75 Ų7562.7 Ų62.740%0.40134%0.342SS..Hα-helixtrans-54.5-39.3177.8-59.4-41.1000112.8N89 V90 R497D86-N89 PolarHBondContact O-N 3.17Å; D86-V90 WeakPolarHBondContact O-CG2 3.19Å; D86-V90 PolarHBondContact O-N 3.02Å; D86-R497 VanDerWaalsContact CG-NH2 3.34Å; D86-R497 IonicContact OD1-CZ 2.63Å; D86-R497 IonicContact OD1-NH1 2.88Å; D86-R497 IonicContact OD1-NH2 3.71Å; D86-R497 PolarHBondContact OD1-NH2 3.31Å; D86-R497 IonicContact OD2-CZ 2.64Å; D86-R497 IonicContact OD2-NH1 2.69Å; D86-R497 PolarHBondContact OD2-NH1 3.35Å; D86-R497 IonicContact OD2-NH2 2.64Å; D86-R497 PolarHBondContact OD2-NH2 2.9Å
87D91.8Very high88.6Confident23 Ų2364 Ų6412%0.12334%0.339CS..Hα-helixtrans-68.1-40.8179.6-52.1-67.1000111T85 V90 I91 K239 K242T85-D87 PolarHBondContact O-N 3.45Å; D87-V90 PolarHBondContact O-N 2.83Å; D87-I91 WeakPolarHBondContact O-CD1 3.4Å; D87-I91 WeakPolarHBondContact O-CG1 3.26Å; D87-I91 PolarHBondContact O-N 3.49Å; D87-K239 HydrophobicContact CB-CB 4.17Å; D87-K239 HydrophobicContact CB-CD 4.41Å; D87-K239 HydrophobicContact CB-CG 4.13Å; D87-K239 WeakPolarHBondContact OD1-CE 3.3Å; D87-K239 WeakPolarHBondContact OD1-CG 3.43Å; D87-K242 IonicContact OD1-NZ 3.88Å; D87-K242 PolarHBondContact OD1-NZ 2.95Å; D87-K242 WeakPolarHBondContact OD2-CE 3Å; D87-K242 IonicContact OD2-NZ 2.77Å; D87-K242 PolarHBondContact OD2-NZ 3.49Å
88E91.8Very high89.2Confident27 Ų2763 Ų6313%0.12633%0.334CS..Hα-helixtrans-66-41.2174.8-71.3168.1132.200111.7Q84 T85 V90 I91 C92 T243 K563Q84-E88 HydrophobicContact CB-CB 4.06Å; T85-E88 WeakPolarHBondContact CB-OE2 3.43Å; T85-E88 WeakPolarHBondContact CG2-OE2 3.44Å; T85-E88 PolarHBondContact N-OE2 2.66Å; T85-E88 PolarHBondContact O-N 3.48Å; T85-E88 VanDerWaalsContact O-N 3.1Å; T85-E88 VanDerWaalsContact OG1-CD 3.31Å; T85-E88 WeakPolarHBondContact OG1-CG 3.24Å; T85-E88 PolarHBondContact OG1-OE2 2.85Å; E88-V90 PolarHBondContact O-N 2.88Å; E88-I91 PolarHBondContact O-N 3.44Å; E88-C92 WeakPolarHBondContact O-CB 3.44Å; E88-C92 PolarHBondContact O-N 2.81Å; E88-C92 PolarHBondContact O-SG 3.39Å; E88-T243 HydrophobicContact CG-CG2 3.97Å; E88-K563 VanDerWaalsContact CD-NZ 3.34Å; E88-K563 IonicContact OE1-NZ 2.68Å; E88-K563 PolarHBondContact OE1-NZ 3.15Å; E88-K563 WeakPolarHBondContact OE2-CD 3.31Å; E88-K563 IonicContact OE2-NZ 2.74Å; E88-K563 PolarHBondContact OE2-NZ 3.02Å
89N91.8Very high89.8Confident75 Ų7553.8 Ų53.840%0.40129%0.293SS..Hα-helixtrans-60.4-44.2173.8-71.2-45.8000111.6Q84 T85 D86 I91 C92 E93Q84-N89 WeakPolarHBondContact CB-OD1 3.49Å; Q84-N89 PolarHBondContact OE1-OD1 3.29Å; T85-N89 PolarHBondContact O-N 3.26Å; T85-N89 PolarHBondContact O-ND2 3.47Å; T85-N89 VanDerWaalsContact O-ND2 3.14Å; D86-N89 PolarHBondContact O-N 3.17Å; N89-I91 VanDerWaalsContact C-N 3.34Å; N89-I91 PolarHBondContact O-N 2.95Å; N89-C92 PolarHBondContact O-N 3.08Å; N89-E93 PolarHBondContact O-N 2.94Å
90V93.2Very high90.5Very high43 Ų4353.7 Ų53.726%0.26130%0.296SS..Hα-helixtrans-66.1-35176.7168.70000112.2D86 D87 E88 S94 L236 K239D86-V90 WeakPolarHBondContact O-CG2 3.19Å; D86-V90 PolarHBondContact O-N 3.02Å; D87-V90 PolarHBondContact O-N 2.83Å; E88-V90 PolarHBondContact O-N 2.88Å; V90-S94 PolarHBondContact O-N 3.42Å; V90-L236 HydrophobicContact CG1-CD1 4.31Å; V90-K239 HydrophobicContact CB-CD 4.23Å; V90-K239 HydrophobicContact CG1-CD 3.88Å
91I94.2Very high91.3Very high29 Ų2948 Ų4815%0.14927%0.267CS..Hα-helixtrans-66.9-41.6171.9-69.2162.2000110.3D87 E88 N89 E93 S94 L236 K239 V240 T243D87-I91 WeakPolarHBondContact O-CD1 3.4Å; D87-I91 WeakPolarHBondContact O-CG1 3.26Å; D87-I91 PolarHBondContact O-N 3.49Å; E88-I91 PolarHBondContact O-N 3.44Å; N89-I91 VanDerWaalsContact C-N 3.34Å; N89-I91 PolarHBondContact O-N 2.95Å; I91-E93 PolarHBondContact O-N 2.57Å; I91-S94 VanDerWaalsContact O-CB 3.27Å; I91-S94 WeakPolarHBondContact O-CB 3.25Å; I91-S94 PolarHBondContact O-N 2.97Å; I91-S94 PolarHBondContact O-OG 3.25Å; I91-L236 HydrophobicContact CG1-CD1 3.94Å; I91-K239 HydrophobicContact CD1-CB 4.39Å; I91-K239 HydrophobicContact CG1-CB 4.46Å; I91-V240 HydrophobicContact CD1-CG2 4.06Å; I91-V240 HydrophobicContact CG1-CG2 3.94Å; I91-T243 HydrophobicContact CD1-CG2 4.27Å; I91-T243 VanDerWaalsContact CD1-OG1 3.26Å; I91-T243 WeakPolarHBondContact CD1-OG1 3.28Å
92C92.2Very high92.3Very high22 Ų2247.2 Ų47.215%0.14925%0.251CS..Hα-helixtrans-65.8-35.9178.6-67.10000113.2F77 C79 Q84 E88 N89 S94F77-C92 HydrophobicContact CB-CB 4.37Å; F77-C92 HydrophobicContact CD2-CB 4.1Å; C79-C92 VanDerWaalsContact SG-SG 3.62Å; Q84-C92 PolarHBondContact OE1-SG 3.2Å; E88-C92 WeakPolarHBondContact O-CB 3.44Å; E88-C92 PolarHBondContact O-N 2.81Å; E88-C92 PolarHBondContact O-SG 3.39Å; N89-C92 PolarHBondContact O-N 3.08Å; C92-S94 VanDerWaalsContact C-N 3.29Å
93E92.9Very high93.1Very high89 Ų8942.5 Ų42.542%0.41623%0.225SC..Hα-helixtrans-74-14.7171.4-76-124.6130.700113.8N89 I91 L95 K96 R97N89-E93 PolarHBondContact O-N 2.94Å; I91-E93 PolarHBondContact O-N 2.57Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 2.76Å; E93-K96 WeakPolarHBondContact O-CB 3.13Å; E93-K96 PolarHBondContact O-N 2.89Å; E93-R97 PolarHBondContact O-N 2.95Å; E93-R97 IonicContact OE2-CZ 2.66Å; E93-R97 IonicContact OE2-NE 3.22Å; E93-R97 IonicContact OE2-NH2 3.45Å; E93-R97 PolarHBondContact OE2-NH2 3.1Å
94S96Very high93.7Very high8 Ų844.8 Ų44.86%0.05623%0.233CC..Hα-helixtrans-63.3-35.4-164.967.40000114.4V90 I91 C92 K96 R97 F98 Y232V90-S94 PolarHBondContact O-N 3.42Å; I91-S94 VanDerWaalsContact O-CB 3.27Å; I91-S94 WeakPolarHBondContact O-CB 3.25Å; I91-S94 PolarHBondContact O-N 2.97Å; I91-S94 PolarHBondContact O-OG 3.25Å; C92-S94 VanDerWaalsContact C-N 3.29Å; S94-K96 VanDerWaalsContact C-N 3.32Å; S94-K96 PolarHBondContact O-N 3.08Å; S94-R97 WeakPolarHBondContact O-CB 3.49Å; S94-R97 PolarHBondContact O-N 2.99Å; S94-R97 VanDerWaalsContact O-N 3.15Å; S94-F98 WeakPolarHBondContact O-CD1 3.3Å; S94-F98 VanDerWaalsContact O-CG 3.27Å; S94-F98 WeakPolarHBondContact O-CG 3.36Å; S94-F98 PolarHBondContact O-N 3.3Å; S94-Y232 WeakPolarHBondContact CA-OH 3.36Å; S94-Y232 WeakPolarHBondContact CB-OH 3.49Å
95L95.7Very high94.2Very high31 Ų3143.7 Ų43.716%0.16223%0.229CC..Hα-helixtrans-66.1-35.1176.9-54.8-175000111.7L72 F75 F77 E93 R97 F98 G99L72-L95 HydrophobicContact CB-CB 4.36Å; L72-L95 WeakPolarHBondContact CB-O 3.48Å; L72-L95 HydrophobicContact CD2-CB 4.22Å; L72-L95 HydrophobicContact CD2-CD2 4.1Å; L72-L95 CarbonylContact O-C 3.53Å; L72-L95 VanDerWaalsContact O-C 3.25Å; L72-L95 WeakPolarHBondContact O-CB 3.38Å; F75-L95 HydrophobicContact CB-CD1 3.95Å; F75-L95 HydrophobicContact CD1-CD1 3.49Å; F75-L95 VanDerWaalsContact CD1-CD1 3.49Å; F75-L95 HydrophobicContact CE1-CD1 4.1Å; F75-L95 HydrophobicContact CG-CD1 3.73Å; F77-L95 HydrophobicContact CE2-CD1 3.67Å; F77-L95 HydrophobicContact CE2-CG 3.88Å; F77-L95 HydrophobicContact CZ-CD1 3.68Å; F77-L95 HydrophobicContact CZ-CG 4.06Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 2.76Å; L95-R97 VanDerWaalsContact C-N 3.3Å; L95-R97 PolarHBondContact O-N 2.94Å; L95-F98 HydrophobicContact CD2-CD2 3.72Å; L95-F98 HydrophobicContact CD2-CE2 3.9Å; L95-F98 PolarHBondContact O-N 3.28Å; L95-G99 PolarHBondContact O-N 2.87Å
96K95.2Very high94.5Very high58 Ų5843.4 Ų43.425%0.25223%0.228SC..Hα-helixtrans-65.1-36.7174.1-55.1-177.6177.31690111.3L72 N73 N76 E93 S94 G99 A100L72-K96 PolarHBondContact O-N 3.48Å; N73-K96 WeakPolarHBondContact O-CE 3.41Å; N76-K96 WeakPolarHBondContact OD1-CE 3.15Å; N76-K96 PolarHBondContact OD1-NZ 3.42Å; E93-K96 WeakPolarHBondContact O-CB 3.13Å; E93-K96 PolarHBondContact O-N 2.89Å; S94-K96 VanDerWaalsContact C-N 3.32Å; S94-K96 PolarHBondContact O-N 3.08Å; K96-G99 PolarHBondContact O-N 3.24Å; K96-A100 PolarHBondContact O-N 3.5Å
97R94.5Very high94.6Very high131 Ų13143.4 Ų43.449%0.49423%0.227SC..Hα-helixtrans-66.5-44.5171.6-57.1-63.6172.8159.2-3.7111.5E93 S94 L95 G99 A100 I101 Y232E93-R97 PolarHBondContact O-N 2.95Å; E93-R97 IonicContact OE2-CZ 2.66Å; E93-R97 IonicContact OE2-NE 3.22Å; E93-R97 IonicContact OE2-NH2 3.45Å; E93-R97 PolarHBondContact OE2-NH2 3.1Å; S94-R97 WeakPolarHBondContact O-CB 3.49Å; S94-R97 PolarHBondContact O-N 2.99Å; S94-R97 VanDerWaalsContact O-N 3.15Å; L95-R97 VanDerWaalsContact C-N 3.3Å; L95-R97 PolarHBondContact O-N 2.94Å; R97-G99 VanDerWaalsContact C-N 3.33Å; R97-G99 PolarHBondContact O-N 2.64Å; R97-A100 PolarHBondContact O-N 2.75Å; R97-I101 VanDerWaalsContact O-CG1 3.25Å; R97-I101 WeakPolarHBondContact O-CG1 3.26Å; R97-I101 PolarHBondContact O-N 3.09Å; R97-Y232 HydrophobicContact CB-CE1 3.77Å; R97-Y232 HydrophobicContact CG-CE1 4.27Å; R97-Y232 HydrophobicContact CG-CE2 4.44Å; R97-Y232 WeakPolarHBondContact CG-OH 3.42Å
98F96.6Very high94.7Very high59 Ų5945 Ų4526%0.25923%0.234SC..Hα-helixtrans-60.9-41.5175.2-58.7-19.6000112.1L72 S94 L95 I101 I102 Y232 L233 L236L72-F98 HydrophobicContact CD1-CB 4.25Å; S94-F98 WeakPolarHBondContact O-CD1 3.3Å; S94-F98 VanDerWaalsContact O-CG 3.27Å; S94-F98 WeakPolarHBondContact O-CG 3.36Å; S94-F98 PolarHBondContact O-N 3.3Å; L95-F98 HydrophobicContact CD2-CD2 3.72Å; L95-F98 HydrophobicContact CD2-CE2 3.9Å; L95-F98 PolarHBondContact O-N 3.28Å; F98-I101 PolarHBondContact O-N 3.28Å; F98-I102 WeakPolarHBondContact O-CG1 3.45Å; F98-I102 PolarHBondContact O-N 2.8Å; F98-Y232 HydrophobicContact CE1-CE1 4.33Å; F98-L233 HydrophobicContact CD1-CD2 4.32Å; F98-L233 HydrophobicContact CE1-CD2 3.73Å; F98-L236 HydrophobicContact CE1-CD2 3.66Å; F98-L236 HydrophobicContact CZ-CD2 3.46Å; F98-L236 VanDerWaalsContact CZ-CD2 3.46Å
99G96.6Very high94.9Very high5 Ų545.1 Ų45.15%0.05223%0.234CC..Hα-helixtrans-59-45.6173.800000112.4A69 L95 K96 R97 I102 G103A69-G99 WeakPolarHBondContact CB-O 3.41Å; L95-G99 PolarHBondContact O-N 2.87Å; K96-G99 PolarHBondContact O-N 3.24Å; R97-G99 VanDerWaalsContact C-N 3.33Å; R97-G99 PolarHBondContact O-N 2.64Å; G99-I102 PolarHBondContact O-N 2.73Å; G99-G103 PolarHBondContact O-N 2.84Å
100A95.5Very high94.9Very high53 Ų5346.5 Ų46.544%0.43824%0.238SC..Hα-helixtrans-62-42.7175.200000113K96 R97 G103 N104K96-A100 PolarHBondContact O-N 3.5Å; R97-A100 PolarHBondContact O-N 2.75Å; A100-G103 PolarHBondContact O-N 3.37Å; A100-N104 VanDerWaalsContact O-CG 3.3Å; A100-N104 PolarHBondContact O-N 3.25Å; A100-N104 PolarHBondContact O-OD1 2.76Å
101I95.7Very high94.8Very high25 Ų2549.5 Ų49.513%0.12825%0.247CC..Hα-helixtrans-61.9-47.2177.9-64.6168000110.8R97 F98 N104 I105 H229R97-I101 VanDerWaalsContact O-CG1 3.25Å; R97-I101 WeakPolarHBondContact O-CG1 3.26Å; R97-I101 PolarHBondContact O-N 3.09Å; F98-I101 PolarHBondContact O-N 3.28Å; I101-N104 PolarHBondContact O-N 3.42Å; I101-I105 HydrophobicContact CG2-CD1 4.06Å; I101-I105 WeakPolarHBondContact O-CG1 3.28Å; I101-I105 PolarHBondContact O-N 2.99Å; I101-H229 HydrophobicContact CD1-CB 3.96Å
102I96.8Very high94.8Very high32 Ų3248.9 Ų48.916%0.16424%0.244CC..Hα-helixtrans-64.3-42177.7-66.8165.1000110.5M65 L68 A69 L72 F98 G99 I105 E106M65-I102 HydrophobicContact CB-CG2 4.12Å; M65-I102 HydrophobicContact CE-CG2 4.06Å; M65-I102 WeakPolarHBondContact O-CG2 3.3Å; L68-I102 HydrophobicContact CD2-CD1 4.36Å; A69-I102 HydrophobicContact CB-CB 4.11Å; A69-I102 HydrophobicContact CB-CG2 3.96Å; L72-I102 HydrophobicContact CD1-CD1 3.72Å; F98-I102 WeakPolarHBondContact O-CG1 3.45Å; F98-I102 PolarHBondContact O-N 2.8Å; G99-I102 PolarHBondContact O-N 2.73Å; I102-I105 PolarHBondContact O-N 3.48Å; I102-E106 HydrophobicContact CG2-CG 4.34Å; I102-E106 WeakPolarHBondContact O-CB 3.2Å; I102-E106 WeakPolarHBondContact O-CG 3.41Å; I102-E106 PolarHBondContact O-N 2.9Å
103G95.9Very high94.8Very high16 Ų1648 Ų4817%0.16524%0.238CC..Hα-helixtrans-56.5-52.7175.800000112.6G99 A100 I105 E106 D107G99-G103 PolarHBondContact O-N 2.84Å; A100-G103 PolarHBondContact O-N 3.37Å; G103-I105 VanDerWaalsContact C-N 3.35Å; G103-I105 PolarHBondContact O-N 2.71Å; G103-E106 PolarHBondContact O-N 3.49Å; G103-D107 PolarHBondContact O-N 2.6Å
104N94.6Very high94.6Very high75 Ų7547.9 Ų47.940%0.40124%0.243SC..Hα-helixtrans-56.3-45.6179.1-711.4000112.7A100 I101 E108 Q225A100-N104 VanDerWaalsContact O-CG 3.3Å; A100-N104 PolarHBondContact O-N 3.25Å; A100-N104 PolarHBondContact O-OD1 2.76Å; I101-N104 PolarHBondContact O-N 3.42Å; N104-E108 PolarHBondContact O-N 3.2Å; N104-Q225 PolarHBondContact ND2-OE1 2.79Å
105I96.4Very high94.2Very high36 Ų3652.6 Ų52.619%0.18527%0.267CS..Hα-helixtrans-66.2-40.2-179.2-67.9169.3000110.7I101 I102 G103 E108 R109 F218 A222 Q225I101-I105 HydrophobicContact CG2-CD1 4.06Å; I101-I105 WeakPolarHBondContact O-CG1 3.28Å; I101-I105 PolarHBondContact O-N 2.99Å; I102-I105 PolarHBondContact O-N 3.48Å; G103-I105 VanDerWaalsContact C-N 3.35Å; G103-I105 PolarHBondContact O-N 2.71Å; I105-E108 PolarHBondContact O-N 3.39Å; I105-R109 PolarHBondContact O-N 3.39Å; I105-R109 VanDerWaalsContact O-N 3.07Å; I105-F218 HydrophobicContact CG2-CE2 4.34Å; I105-F218 HydrophobicContact CG2-CZ 4.46Å; I105-A222 HydrophobicContact CG2-CB 4.13Å; I105-Q225 HydrophobicContact CD1-CB 4.35Å; I105-Q225 HydrophobicContact CG1-CB 4.02Å; I105-Q225 HydrophobicContact CG1-CG 4.26Å
106E95.8Very high93.8Very high0 Ų051.5 Ų51.50%026%0.263CS..Hα-helixtrans-79.2-25.1-179.2-67.6-60.6157.300114.2S62 M65 K66 I102 G103 E108 R109 E110S62-E106 WeakPolarHBondContact CA-OE2 3.47Å; S62-E106 WeakPolarHBondContact CB-OE2 3.47Å; S62-E106 PolarHBondContact OG-O 3.1Å; S62-E106 PolarHBondContact OG-OE2 3.37Å; M65-E106 HydrophobicContact CB-CG 3.5Å; M65-E106 HydrophobicContact CG-CG 4.41Å; K66-E106 HydrophobicContact CD-CB 4.31Å; K66-E106 VanDerWaalsContact CE-C 3.41Å; K66-E106 WeakPolarHBondContact CE-O 3.42Å; K66-E106 HydrophobicContact CG-CB 3.74Å; K66-E106 HydrophobicContact CG-CG 4.46Å; K66-E106 PolarHBondContact NZ-O 2.79Å; I102-E106 HydrophobicContact CG2-CG 4.34Å; I102-E106 WeakPolarHBondContact O-CB 3.2Å; I102-E106 WeakPolarHBondContact O-CG 3.41Å; I102-E106 PolarHBondContact O-N 2.9Å; G103-E106 PolarHBondContact O-N 3.49Å; E106-E108 VanDerWaalsContact C-N 3.28Å; E106-R109 VanDerWaalsContact CD-NE 3.34Å; E106-R109 PolarHBondContact O-N 3.21Å; E106-R109 IonicContact OE1-CZ 3.23Å; E106-R109 IonicContact OE1-NE 2.71Å; E106-R109 PolarHBondContact OE1-NE 3.37Å; E106-R109 VanDerWaalsContact OE1-NE 3.15Å; E106-R109 IonicContact OE1-NH2 2.68Å; E106-R109 PolarHBondContact OE1-NH2 3.33Å; E106-R109 WeakPolarHBondContact OE2-CD 3.39Å; E106-R109 IonicContact OE2-CZ 2.6Å; E106-R109 IonicContact OE2-NE 2.8Å; E106-R109 PolarHBondContact OE2-NE 3.24Å; E106-R109 IonicContact OE2-NH2 3.65Å; E106-E110 WeakPolarHBondContact O-CB 3.45Å; E106-E110 PolarHBondContact O-N 3.06Å
107D94.1Very high93.3Very high74 Ų7451.8 Ų51.840%0.39627%0.267SS..Hα-helixtrans-61.7-37.9165.8-78.9-3.9000111.1K66 G103 K111K66-D107 IonicContact NZ-OD1 3.59Å; K66-D107 PolarHBondContact NZ-OD1 3.05Å; G103-D107 PolarHBondContact O-N 2.6Å; D107-K111 WeakPolarHBondContact O-CE 3.27Å; D107-K111 VanDerWaalsContact O-CG 3.3Å; D107-K111 WeakPolarHBondContact O-CG 3.45Å; D107-K111 PolarHBondContact O-N 3.02Å; D107-K111 VanDerWaalsContact O-N 3.13Å
108E93.5Very high92.7Very high56 Ų5651.5 Ų51.526%0.26227%0.269SS..Hα-helixtrans-73.3-35.5174.8-150.560.7-14000112.5N104 I105 E106 E110 K111 M112 F218 T221N104-E108 PolarHBondContact O-N 3.2Å; I105-E108 PolarHBondContact O-N 3.39Å; E106-E108 VanDerWaalsContact C-N 3.28Å; E108-E110 VanDerWaalsContact C-N 3.34Å; E108-E110 PolarHBondContact O-N 3.12Å; E108-K111 PolarHBondContact O-N 3.45Å; E108-K111 IonicContact OE2-NZ 3.68Å; E108-K111 PolarHBondContact OE2-NZ 3.04Å; E108-M112 WeakPolarHBondContact O-CB 3.45Å; E108-M112 PolarHBondContact O-N 3.25Å; E108-F218 HydrophobicContact CB-CD2 4.43Å; E108-T221 HydrophobicContact CG-CG2 3.97Å
109R95Very high92.2Very high31 Ų3153.1 Ų53.112%0.11728%0.277CS..Hα-helixtrans-61.3-43.1171.6-156.5-161.5-60.2-92.12.7111.3I105 E106 M112 L113 F218I105-R109 PolarHBondContact O-N 3.39Å; I105-R109 VanDerWaalsContact O-N 3.07Å; E106-R109 VanDerWaalsContact CD-NE 3.34Å; E106-R109 PolarHBondContact O-N 3.21Å; E106-R109 IonicContact OE1-CZ 3.23Å; E106-R109 IonicContact OE1-NE 2.71Å; E106-R109 PolarHBondContact OE1-NE 3.37Å; E106-R109 VanDerWaalsContact OE1-NE 3.15Å; E106-R109 IonicContact OE1-NH2 2.68Å; E106-R109 PolarHBondContact OE1-NH2 3.33Å; E106-R109 WeakPolarHBondContact OE2-CD 3.39Å; E106-R109 IonicContact OE2-CZ 2.6Å; E106-R109 IonicContact OE2-NE 2.8Å; E106-R109 PolarHBondContact OE2-NE 3.24Å; E106-R109 IonicContact OE2-NH2 3.65Å; R109-M112 HydrophobicContact CG-CE 4.1Å; R109-M112 PolarHBondContact O-N 3.27Å; R109-L113 HydrophobicContact CG-CD1 3.97Å; R109-L113 HydrophobicContact CG-CG 4.42Å; R109-L113 WeakPolarHBondContact O-CB 3.1Å; R109-L113 VanDerWaalsContact O-CG 3.24Å; R109-L113 WeakPolarHBondContact O-CG 3.35Å; R109-L113 PolarHBondContact O-N 3.23Å; R109-F218 HydrophobicContact CB-CD2 4.11Å; R109-F218 HydrophobicContact CB-CE2 3.53Å; R109-F218 HydrophobicContact CB-CZ 3.98Å; R109-F218 HydrophobicContact CG-CD2 4.38Å; R109-F218 HydrophobicContact CG-CE1 4.4Å; R109-F218 HydrophobicContact CG-CE2 3.88Å; R109-F218 HydrophobicContact CG-CZ 3.89Å
110E93.5Very high91.9Very high104 Ų10453.3 Ų53.349%0.48628%0.277SS..Hα-helixtrans-64.9-40.7179.1-176.6167-149.500112.4K66 E106 E108 L113 T114K66-E110 IonicContact NZ-OE2 2.75Å; K66-E110 PolarHBondContact NZ-OE2 3.49Å; E106-E110 WeakPolarHBondContact O-CB 3.45Å; E106-E110 PolarHBondContact O-N 3.06Å; E108-E110 VanDerWaalsContact C-N 3.34Å; E108-E110 PolarHBondContact O-N 3.12Å; E110-L113 PolarHBondContact O-N 3.43Å; E110-T114 WeakPolarHBondContact O-CB 3.21Å; E110-T114 PolarHBondContact O-N 3.24Å; E110-T114 PolarHBondContact O-OG1 3.3Å
111K90.9Very high91.7Very high106 Ų10651.5 Ų51.546%0.46126%0.26SS..Hα-helixtrans-59.3-50.1172.5-68.4165.6-1481640111.3D107 E108 L113 T114 L115D107-K111 WeakPolarHBondContact O-CE 3.27Å; D107-K111 VanDerWaalsContact O-CG 3.3Å; D107-K111 WeakPolarHBondContact O-CG 3.45Å; D107-K111 PolarHBondContact O-N 3.02Å; D107-K111 VanDerWaalsContact O-N 3.13Å; E108-K111 PolarHBondContact O-N 3.45Å; E108-K111 IonicContact OE2-NZ 3.68Å; E108-K111 PolarHBondContact OE2-NZ 3.04Å; K111-L113 PolarHBondContact O-N 3.36Å; K111-T114 PolarHBondContact O-N 3.41Å; K111-L115 WeakPolarHBondContact O-CG 3.46Å; K111-L115 PolarHBondContact O-N 3.37Å
112M93Very high91.5Very high16 Ų1655.9 Ų55.98%0.07928%0.28CS..Hα-helixtrans-59.3-45.4178.4178.3-79.6-67.200111.7E108 R109 T114 L115 A116 G214 W215 F218E108-M112 WeakPolarHBondContact O-CB 3.45Å; E108-M112 PolarHBondContact O-N 3.25Å; R109-M112 HydrophobicContact CG-CE 4.1Å; R109-M112 PolarHBondContact O-N 3.27Å; M112-T114 PolarHBondContact O-N 2.95Å; M112-L115 PolarHBondContact O-N 3.26Å; M112-A116 WeakPolarHBondContact O-CB 3.4Å; M112-A116 PolarHBondContact O-N 3.25Å; M112-G214 WeakPolarHBondContact CG-O 3.35Å; M112-W215 HydrophobicContact CE-CD2 3.85Å; M112-W215 HydrophobicContact CE-CE3 3.6Å; M112-W215 HydrophobicContact CE-CH2 3.72Å; M112-W215 HydrophobicContact CE-CZ2 3.94Å; M112-W215 HydrophobicContact CE-CZ3 3.54Å; M112-W215 HydrophobicContact SD-CD2 4.1Å; M112-W215 HydrophobicContact SD-CE3 4.45Å; M112-W215 HydrophobicContact SD-CZ2 4.31Å; M112-F218 HydrophobicContact CB-CB 4.32Å; M112-F218 HydrophobicContact CE-CB 4.43Å; M112-F218 HydrophobicContact CE-CD1 4.4Å; M112-F218 HydrophobicContact CE-CG 4.3Å; M112-F218 HydrophobicContact CG-CB 4.11Å
113L92.8Very high91.3Very high4 Ų456.3 Ų56.32%0.02129%0.286CS..Hα-helixtrans-66.3-35.6178.1-70.5168.2000112.8M55 A58 K59 R109 E110 K111 A116 D117 W215M55-L113 HydrophobicContact CE-CD2 4.48Å; M55-L113 WeakPolarHBondContact CE-O 3.42Å; M55-L113 HydrophobicContact CG-CD2 4.26Å; A58-L113 HydrophobicContact CB-CD1 3.89Å; A58-L113 HydrophobicContact CB-CD2 3.6Å; A58-L113 HydrophobicContact CB-CG 4.37Å; K59-L113 HydrophobicContact CG-CD1 4.08Å; R109-L113 HydrophobicContact CG-CD1 3.97Å; R109-L113 HydrophobicContact CG-CG 4.42Å; R109-L113 WeakPolarHBondContact O-CB 3.1Å; R109-L113 VanDerWaalsContact O-CG 3.24Å; R109-L113 WeakPolarHBondContact O-CG 3.35Å; R109-L113 PolarHBondContact O-N 3.23Å; E110-L113 PolarHBondContact O-N 3.43Å; K111-L113 PolarHBondContact O-N 3.36Å; L113-A116 PolarHBondContact O-N 2.9Å; L113-D117 PolarHBondContact O-N 3.37Å; L113-D117 VanDerWaalsContact O-N 3.09Å; L113-W215 HydrophobicContact CD2-CH2 4.49Å; L113-W215 HydrophobicContact CD2-CZ2 4.42Å
114T89.1Confident91.2Very high86 Ų8655.6 Ų55.653%0.52828%0.278SS..Hα-helixtrans-67.6-40.7175.9-57.90000111.4E110 K111 M112 K118E110-T114 WeakPolarHBondContact O-CB 3.21Å; E110-T114 PolarHBondContact O-N 3.24Å; E110-T114 PolarHBondContact O-OG1 3.3Å; K111-T114 PolarHBondContact O-N 3.41Å; M112-T114 PolarHBondContact O-N 2.95Å; T114-K118 PolarHBondContact O-N 3.38Å
115L87.1Confident91.2Very high107 Ų10754.3 Ų54.356%0.5627%0.269SS*.Hα-helixtrans-65.9-41.4173.7-69.9171.1000111.6K111 M112 D117 H119K111-L115 WeakPolarHBondContact O-CG 3.46Å; K111-L115 PolarHBondContact O-N 3.37Å; M112-L115 PolarHBondContact O-N 3.26Å; L115-D117 VanDerWaalsContact C-N 3.35Å; L115-D117 PolarHBondContact O-N 2.9Å; L115-H119 VanDerWaalsContact O-CB 3.31Å; L115-H119 WeakPolarHBondContact O-CB 3.24Å; L115-H119 PolarHBondContact O-CD2 2.85Å; L115-H119 PolarHBondContact O-N 3.01Å
116A87.7Confident91.1Very high8 Ų855.4 Ų55.47%0.06628%0.276CS..Hα-helixtrans-62.9-38.7178.900000112.9M55 M112 L113 I120 I121M55-A116 HydrophobicContact CE-CB 3.87Å; M55-A116 HydrophobicContact SD-CB 3.62Å; M112-A116 WeakPolarHBondContact O-CB 3.4Å; M112-A116 PolarHBondContact O-N 3.25Å; L113-A116 PolarHBondContact O-N 2.9Å; A116-I120 HydrophobicContact CB-CG1 4.44Å; A116-I120 WeakPolarHBondContact O-CA 3.36Å; A116-I120 VanDerWaalsContact O-CB 3.25Å; A116-I120 WeakPolarHBondContact O-CB 3.48Å; A116-I120 PolarHBondContact O-N 3.43Å; A116-I121 PolarHBondContact O-N 3.49Å
117D84.8Confident91.1Very high64 Ų6455.6 Ų55.634%0.34228%0.277SS..Iπ-helixtrans-62.2-51.7-178.7-131.412.7000109.8M55 K59 L113 L115 I121M55-D117 HydrophobicContact CE-CB 3.77Å; M55-D117 WeakPolarHBondContact CE-OD1 3.48Å; K59-D117 VanDerWaalsContact NZ-CG 3.3Å; K59-D117 IonicContact NZ-OD1 2.68Å; K59-D117 IonicContact NZ-OD2 2.73Å; K59-D117 PolarHBondContact NZ-OD2 3.2Å; L113-D117 PolarHBondContact O-N 3.37Å; L113-D117 VanDerWaalsContact O-N 3.09Å; L115-D117 VanDerWaalsContact C-N 3.35Å; L115-D117 PolarHBondContact O-N 2.9Å; D117-I121 WeakPolarHBondContact O-CB 3.4Å
118K81Confident91.1Very high124 Ų12455.3 Ų55.354%0.53927%0.27SS..Iπ-helixtrans-74-39.1-176.1-176-177.3173.2-162.20113.4T114 E122T114-K118 PolarHBondContact O-N 3.38Å; K118-E122 WeakPolarHBondContact O-CB 3.29Å
119H85.7Confident91.1Very high94 Ų9458 Ų5844%0.43528%0.281SS..Iπ-helixtrans-104-17.9-169.5-67.2-72.1000114.8L115 S123L115-H119 VanDerWaalsContact O-CB 3.31Å; L115-H119 WeakPolarHBondContact O-CB 3.24Å; L115-H119 PolarHBondContact O-CD2 2.85Å; L115-H119 PolarHBondContact O-N 3.01Å; H119-S123 VanDerWaalsContact O-CB 3.3Å; H119-S123 WeakPolarHBondContact O-CB 3.38Å; H119-S123 PolarHBondContact O-OG 3.28Å
120I90.5Very high91.1Very high9 Ų962.7 Ų62.75%0.04630%0.302CS..Iπ-helixtrans-108.8-53.2-179-49.7-58.7000110.9A116 S123 L124 I207 A210 F211A116-I120 HydrophobicContact CB-CG1 4.44Å; A116-I120 WeakPolarHBondContact O-CA 3.36Å; A116-I120 VanDerWaalsContact O-CB 3.25Å; A116-I120 WeakPolarHBondContact O-CB 3.48Å; A116-I120 PolarHBondContact O-N 3.43Å; I120-S123 PolarHBondContact O-N 3.33Å; I120-L124 HydrophobicContact CG2-CD1 4.05Å; I120-L124 HydrophobicContact CG2-CG 4.37Å; I120-L124 WeakPolarHBondContact O-CB 3.49Å; I120-L124 VanDerWaalsContact O-CG 3.3Å; I120-L124 WeakPolarHBondContact O-CG 3.37Å; I120-L124 PolarHBondContact O-N 3.47Å; I120-I207 HydrophobicContact CD1-CG2 4.4Å; I120-I207 WeakPolarHBondContact CD1-O 3.25Å; I120-I207 HydrophobicContact CG2-CG2 4.02Å; I120-A210 HydrophobicContact CD1-CB 3.84Å; I120-F211 HydrophobicContact CB-CD2 4.29Å; I120-F211 HydrophobicContact CD1-CB 4.03Å; I120-F211 HydrophobicContact CG1-CB 4.01Å; I120-F211 HydrophobicContact CG1-CD2 4.09Å; I120-F211 HydrophobicContact CG2-CB 3.82Å; I120-F211 HydrophobicContact CG2-CD2 3.88Å; I120-F211 HydrophobicContact CG2-CG 4.09Å
121I91.1Very high91.1Very high14 Ų1459 Ų597%0.07229%0.285CS..Iπ-helixtrans-64.3-47.1-178.3-76.2166.8000111.3V51 K52 M55 A116 D117 S123 E125V51-I121 HydrophobicContact CG1-CD1 4.42Å; V51-I121 HydrophobicContact CG1-CG1 3.99Å; K52-I121 HydrophobicContact CG-CD1 3.68Å; K52-I121 HydrophobicContact CG-CG1 4.16Å; K52-I121 HydrophobicContact CG-CG2 4.48Å; M55-I121 HydrophobicContact CE-CD1 4.16Å; M55-I121 HydrophobicContact SD-CD1 3.49Å; M55-I121 WeakPolarHBondContact SD-CD1 3.48Å; M55-I121 HydrophobicContact SD-CG1 4.25Å; A116-I121 PolarHBondContact O-N 3.49Å; D117-I121 WeakPolarHBondContact O-CB 3.4Å; I121-S123 PolarHBondContact O-N 3.44Å; I121-E125 WeakPolarHBondContact O-CB 3.41Å; I121-E125 PolarHBondContact O-N 2.9Å
122E91.4Very high91.2Very high117 Ų11754 Ų5455%0.54726%0.263SS..Hα-helixtrans-59.6-47.3176.4-63-174.8-166.100111K118 E125 D126K118-E122 WeakPolarHBondContact O-CB 3.29Å; E122-E125 PolarHBondContact O-N 2.79Å; E122-D126 WeakPolarHBondContact O-CB 3.37Å; E122-D126 PolarHBondContact O-N 3.35Å
123S94Very high91.2Very high42 Ų4254.7 Ų54.729%0.29427%0.274SS..Hα-helixtrans-63.9-41.7-179.3-56.10000113.5H119 I120 I121 D126 F127H119-S123 VanDerWaalsContact O-CB 3.3Å; H119-S123 WeakPolarHBondContact O-CB 3.38Å; H119-S123 PolarHBondContact O-OG 3.28Å; I120-S123 PolarHBondContact O-N 3.33Å; I121-S123 PolarHBondContact O-N 3.44Å; S123-D126 PolarHBondContact O-N 3.03Å; S123-F127 VanDerWaalsContact O-CB 3.3Å; S123-F127 WeakPolarHBondContact O-CB 3.39Å; S123-F127 PolarHBondContact O-N 2.99Å
124L94.3Very high91.2Very high0 Ų055.4 Ų55.40%028%0.283CS..Hα-helixtrans-65.2-41.3175.2-71.1176.6000111.5I48 I120 R128 F204 I207 L208I48-L124 HydrophobicContact CD1-CB 4.03Å; I48-L124 HydrophobicContact CG1-CB 3.66Å; I48-L124 HydrophobicContact CG1-CD1 4.19Å; I120-L124 HydrophobicContact CG2-CD1 4.05Å; I120-L124 HydrophobicContact CG2-CG 4.37Å; I120-L124 WeakPolarHBondContact O-CB 3.49Å; I120-L124 VanDerWaalsContact O-CG 3.3Å; I120-L124 WeakPolarHBondContact O-CG 3.37Å; I120-L124 PolarHBondContact O-N 3.47Å; L124-R128 WeakPolarHBondContact O-CB 3.48Å; L124-R128 PolarHBondContact O-N 3.03Å; L124-R128 VanDerWaalsContact O-N 3.12Å; L124-F204 HydrophobicContact CD2-CD2 3.96Å; L124-F204 HydrophobicContact CD2-CE2 3.72Å; L124-I207 HydrophobicContact CD2-CB 4.21Å; L124-I207 HydrophobicContact CD2-CG2 3.63Å; L124-I207 HydrophobicContact CG-CG2 3.68Å; L124-L208 HydrophobicContact CD1-CD2 4.44Å; L124-L208 HydrophobicContact CD2-CD2 4.15Å
125E94.5Very high91.5Very high48 Ų4851.5 Ų51.522%0.22426%0.259CS..Hα-helixtrans-66.3-41.6175.2-81.6-161.1-164.100112.3I48 K52 I121 E122 R128 K129I48-E125 HydrophobicContact CD1-CG 4.12Å; I48-E125 HydrophobicContact CG2-CG 4.06Å; K52-E125 IonicContact NZ-OE1 2.79Å; K52-E125 PolarHBondContact NZ-OE1 2.8Å; I121-E125 WeakPolarHBondContact O-CB 3.41Å; I121-E125 PolarHBondContact O-N 2.9Å; E122-E125 PolarHBondContact O-N 2.79Å; E125-R128 PolarHBondContact O-N 2.84Å; E125-K129 VanDerWaalsContact O-CB 3.31Å; E125-K129 WeakPolarHBondContact O-CB 3.49Å; E125-K129 WeakPolarHBondContact O-CD 3.3Å; E125-K129 WeakPolarHBondContact O-CG 3.48Å; E125-K129 PolarHBondContact O-N 3.17Å; E125-K129 VanDerWaalsContact OE2-CE 3.3Å; E125-K129 WeakPolarHBondContact OE2-CE 3.34Å; E125-K129 IonicContact OE2-NZ 2.74Å; E125-K129 PolarHBondContact OE2-NZ 2.8Å
126D94Very high91.7Very high60 Ų6050.8 Ų50.832%0.32125%0.251SS..Hα-helixtrans-67-43.5177.4-99.6-6.5000112.1E122 S123 R128 K129 K130E122-D126 WeakPolarHBondContact O-CB 3.37Å; E122-D126 PolarHBondContact O-N 3.35Å; S123-D126 PolarHBondContact O-N 3.03Å; D126-R128 VanDerWaalsContact C-N 3.29Å; D126-R128 PolarHBondContact O-N 3.06Å; D126-K129 PolarHBondContact O-N 3.06Å; D126-K130 HydrophobicContact CB-CD 4.09Å; D126-K130 VanDerWaalsContact CG-CE 3.4Å; D126-K130 WeakPolarHBondContact O-CA 3.3Å; D126-K130 WeakPolarHBondContact O-CB 3.41Å; D126-K130 WeakPolarHBondContact O-CG 3.34Å; D126-K130 PolarHBondContact O-N 2.71Å; D126-K130 WeakPolarHBondContact OD1-CE 3.48Å; D126-K130 IonicContact OD1-NZ 3.07Å; D126-K130 PolarHBondContact OD1-NZ 3.29Å; D126-K130 WeakPolarHBondContact OD2-CE 3.44Å; D126-K130 IonicContact OD2-NZ 3.53Å; D126-K130 PolarHBondContact OD2-NZ 2.71Å
127F95Very high91.8Very high3 Ų355 Ų551%0.01327%0.27CS..Iπ-helixtrans-54.5-48.9172.9-175.8-92.1000110.5I44 S123 Q131 I132 R199 I200 E203 F204 I207I44-F127 HydrophobicContact CD1-CD1 4.13Å; I44-F127 HydrophobicContact CD1-CE1 4Å; S123-F127 VanDerWaalsContact O-CB 3.3Å; S123-F127 WeakPolarHBondContact O-CB 3.39Å; S123-F127 PolarHBondContact O-N 2.99Å; F127-Q131 HydrophobicContact CD2-CB 4.34Å; F127-Q131 HydrophobicContact CD2-CG 3.71Å; F127-Q131 HydrophobicContact CE2-CB 4.21Å; F127-Q131 HydrophobicContact CE2-CG 3.82Å; F127-Q131 HydrophobicContact CG-CG 4.32Å; F127-Q131 HydrophobicContact CZ-CB 4.41Å; F127-Q131 HydrophobicContact CZ-CG 4.5Å; F127-Q131 WeakPolarHBondContact O-CA 3.37Å; F127-Q131 VanDerWaalsContact O-CB 3.24Å; F127-Q131 WeakPolarHBondContact O-CB 3.34Å; F127-Q131 PolarHBondContact O-N 3.46Å; F127-I132 HydrophobicContact CE1-CD1 4.14Å; F127-I132 HydrophobicContact CE1-CG1 4.33Å; F127-I132 PolarHBondContact O-N 3.38Å; F127-R199 HydrophobicContact CE2-CB 4.12Å; F127-R199 HydrophobicContact CZ-CB 4.43Å; F127-I200 HydrophobicContact CE1-CG1 3.97Å; F127-I200 HydrophobicContact CZ-CB 4.46Å; F127-I200 HydrophobicContact CZ-CG1 3.73Å; F127-E203 HydrophobicContact CD2-CB 4.29Å; F127-E203 HydrophobicContact CD2-CG 3.87Å; F127-E203 WeakPolarHBondContact CD2-OE1 3.36Å; F127-E203 HydrophobicContact CE2-CB 3.95Å; F127-E203 HydrophobicContact CE2-CG 4Å; F127-F204 HydrophobicContact CD1-CB 4.16Å; F127-F204 HydrophobicContact CD1-CD2 4.1Å; F127-F204 HydrophobicContact CD2-CB 4.38Å; F127-F204 HydrophobicContact CE1-CB 3.82Å; F127-F204 HydrophobicContact CE1-CD2 4.31Å; F127-F204 HydrophobicContact CE1-CG 4.31Å; F127-F204 HydrophobicContact CE2-CB 4.06Å; F127-F204 HydrophobicContact CG-CB 4.45Å; F127-F204 HydrophobicContact CZ-CB 3.77Å; F127-I207 HydrophobicContact CB-CD1 4.29Å
128R94.9Very high92.2Very high68 Ų6853.7 Ų53.726%0.25726%0.262SS..Iπ-helixtrans-65.8-40.1179.1-169.5-178.4173.5-76.6-16.6113.1S41 I44 I48 L124 E125 D126 G133S41-R128 PolarHBondContact O-NE 3.26Å; S41-R128 PolarHBondContact OG-NH2 3.21Å; I44-R128 HydrophobicContact CG2-CB 4.07Å; I44-R128 HydrophobicContact CG2-CG 4.29Å; I48-R128 HydrophobicContact CD1-CB 4.44Å; L124-R128 WeakPolarHBondContact O-CB 3.48Å; L124-R128 PolarHBondContact O-N 3.03Å; L124-R128 VanDerWaalsContact O-N 3.12Å; E125-R128 PolarHBondContact O-N 2.84Å; D126-R128 VanDerWaalsContact C-N 3.29Å; D126-R128 PolarHBondContact O-N 3.06Å; R128-G133 PolarHBondContact O-N 2.98Å
129K93.8Very high92.9Very high114 Ų11450.4 Ų50.450%0.49625%0.248SC..Iπ-helixtrans-76.5-47.1-178.6-70.8163.8-168166.90112.4E125 D126 G133E125-K129 VanDerWaalsContact O-CB 3.31Å; E125-K129 WeakPolarHBondContact O-CB 3.49Å; E125-K129 WeakPolarHBondContact O-CD 3.3Å; E125-K129 WeakPolarHBondContact O-CG 3.48Å; E125-K129 PolarHBondContact O-N 3.17Å; E125-K129 VanDerWaalsContact OE2-CE 3.3Å; E125-K129 WeakPolarHBondContact OE2-CE 3.34Å; E125-K129 IonicContact OE2-NZ 2.74Å; E125-K129 PolarHBondContact OE2-NZ 2.8Å; D126-K129 PolarHBondContact O-N 3.06Å; K129-G133 CarbonylContact O-C 3.58Å; K129-G133 WeakPolarHBondContact O-CA 3.43Å; K129-G133 PolarHBondContact O-N 3.45Å
130K94.2Very high93.4Very high129 Ų12951.7 Ų51.756%0.56125%0.252SS*.Iπ-helixtrans-87.7-46.8-170.6-61.1173.2175171.10112D126 G134 R192D126-K130 HydrophobicContact CB-CD 4.09Å; D126-K130 VanDerWaalsContact CG-CE 3.4Å; D126-K130 WeakPolarHBondContact O-CA 3.3Å; D126-K130 WeakPolarHBondContact O-CB 3.41Å; D126-K130 WeakPolarHBondContact O-CG 3.34Å; D126-K130 PolarHBondContact O-N 2.71Å; D126-K130 WeakPolarHBondContact OD1-CE 3.48Å; D126-K130 IonicContact OD1-NZ 3.07Å; D126-K130 PolarHBondContact OD1-NZ 3.29Å; D126-K130 WeakPolarHBondContact OD2-CE 3.44Å; D126-K130 IonicContact OD2-NZ 3.53Å; D126-K130 PolarHBondContact OD2-NZ 2.71Å; K130-G134 PolarHBondContact O-N 3.27Å; K130-R192 PolarHBondContact O-NH2 2.96Å
131Q94Very high93.6Very high25 Ų2555.9 Ų55.912%0.11727%0.27CS..Iπ-helixtrans-75.2-68.2179.3-49.5-60.87.700110.4F127 G134 R192 V196 E203F127-Q131 HydrophobicContact CD2-CB 4.34Å; F127-Q131 HydrophobicContact CD2-CG 3.71Å; F127-Q131 HydrophobicContact CE2-CB 4.21Å; F127-Q131 HydrophobicContact CE2-CG 3.82Å; F127-Q131 HydrophobicContact CG-CG 4.32Å; F127-Q131 HydrophobicContact CZ-CB 4.41Å; F127-Q131 HydrophobicContact CZ-CG 4.5Å; F127-Q131 WeakPolarHBondContact O-CA 3.37Å; F127-Q131 VanDerWaalsContact O-CB 3.24Å; F127-Q131 WeakPolarHBondContact O-CB 3.34Å; F127-Q131 PolarHBondContact O-N 3.46Å; Q131-G134 PolarHBondContact O-N 3.05Å; Q131-R192 PolarHBondContact O-NH2 2.87Å; Q131-V196 HydrophobicContact CB-CG1 4.38Å; Q131-V196 HydrophobicContact CB-CG2 4.26Å; Q131-E203 PolarHBondContact NE2-OE1 2.67Å; Q131-E203 PolarHBondContact NE2-OE2 3.49Å
132I92.9Very high93.8Very high2 Ų255.3 Ų55.31%0.0127%0.268CS..Iπ-helixtrans-69.6-44.4-175.5-58.2179.8000112L37 T40 I44 F127 G134 V135 V196L37-I132 HydrophobicContact CD1-CB 4.38Å; L37-I132 HydrophobicContact CD1-CD1 4.4Å; L37-I132 HydrophobicContact CD1-CG1 3.99Å; L37-I132 HydrophobicContact CD1-CG2 3.86Å; L37-I132 HydrophobicContact CD2-CG2 4.49Å; L37-I132 HydrophobicContact CG-CG2 3.96Å; T40-I132 HydrophobicContact CG2-CD1 4.12Å; I44-I132 HydrophobicContact CD1-CD1 3.74Å; F127-I132 HydrophobicContact CE1-CD1 4.14Å; F127-I132 HydrophobicContact CE1-CG1 4.33Å; F127-I132 PolarHBondContact O-N 3.38Å; I132-G134 VanDerWaalsContact C-N 3.27Å; I132-G134 PolarHBondContact O-N 3.22Å; I132-V135 PolarHBondContact O-N 3.41Å; I132-V196 HydrophobicContact CG1-CG1 4.01Å
133G92.2Very high94Very high30 Ų3052.9 Ų52.931%0.30926%0.258SS..Hα-helixtrans-63.6-30176.500000113.7R128 K129 V135 K136R128-G133 PolarHBondContact O-N 2.98Å; K129-G133 CarbonylContact O-C 3.58Å; K129-G133 WeakPolarHBondContact O-CA 3.43Å; K129-G133 PolarHBondContact O-N 3.45Å; G133-V135 PolarHBondContact O-N 2.63Å; G133-K136 PolarHBondContact O-N 2.89Å
134G92.6Very high94.2Very high20 Ų2057.1 Ų57.121%0.20627%0.271CS..Hα-helixtrans-62.2-39.3174.400000113.1K130 Q131 I132 K136 E137 N138K130-G134 PolarHBondContact O-N 3.27Å; Q131-G134 PolarHBondContact O-N 3.05Å; I132-G134 VanDerWaalsContact C-N 3.27Å; I132-G134 PolarHBondContact O-N 3.22Å; G134-K136 PolarHBondContact O-N 3.41Å; G134-E137 WeakPolarHBondContact O-CB 3.3Å; G134-E137 PolarHBondContact O-N 3.27Å; G134-N138 PolarHBondContact O-N 3.49Å; G134-N138 VanDerWaalsContact O-N 3.12Å; G134-N138 PolarHBondContact O-OD1 3.38Å
135V95.2Very high94.3Very high3 Ų359.1 Ų59.12%0.01828%0.28CS..Hα-helixtrans-57.2-36.9176.9-174.30000111.4L37 I132 G133 E137 N138 K139 Y189 R192 I193 V196L37-V135 HydrophobicContact CD2-CB 3.7Å; L37-V135 HydrophobicContact CD2-CG1 3.54Å; L37-V135 HydrophobicContact CD2-CG2 3.77Å; I132-V135 PolarHBondContact O-N 3.41Å; G133-V135 PolarHBondContact O-N 2.63Å; V135-E137 VanDerWaalsContact C-N 3.27Å; V135-E137 PolarHBondContact O-N 2.99Å; V135-N138 PolarHBondContact O-N 3.3Å; V135-K139 PolarHBondContact O-N 3.36Å; V135-Y189 HydrophobicContact CG1-CD2 4.39Å; V135-Y189 HydrophobicContact CG1-CE2 3.65Å; V135-Y189 WeakPolarHBondContact O-CE2 3.42Å; V135-R192 HydrophobicContact CG2-CG 4.32Å; V135-I193 HydrophobicContact CG1-CG1 3.75Å; V135-V196 HydrophobicContact CG2-CB 4.13Å; V135-V196 HydrophobicContact CG2-CG1 4.36Å; V135-V196 HydrophobicContact CG2-CG2 3.72Å
136K91.2Very high94.4Very high93 Ų9357.9 Ų57.940%0.40428%0.276SS..Hα-helixtrans-68.4-22.7176.9-66-176.6176.8-70.80113.5D38 G133 G134 K140D38-K136 WeakPolarHBondContact OD1-CE 3.49Å; D38-K136 IonicContact OD1-NZ 3.55Å; D38-K136 PolarHBondContact OD1-NZ 3.03Å; D38-K136 IonicContact OD2-NZ 2.7Å; D38-K136 PolarHBondContact OD2-NZ 3.2Å; G133-K136 PolarHBondContact O-N 2.89Å; G134-K136 PolarHBondContact O-N 3.41Å; K136-K140 WeakPolarHBondContact O-CG 3.33Å; K136-K140 PolarHBondContact O-N 3.11Å
137E90.6Very high94.5Very high97 Ų9760.2 Ų60.245%0.45329%0.285SS..Hα-helixtrans-81.5-39.8172.6-163.960.9-147.300111.3G134 V135 K139 K140 K141G134-E137 WeakPolarHBondContact O-CB 3.3Å; G134-E137 PolarHBondContact O-N 3.27Å; V135-E137 VanDerWaalsContact C-N 3.27Å; V135-E137 PolarHBondContact O-N 2.99Å; E137-K139 VanDerWaalsContact C-N 3.3Å; E137-K139 PolarHBondContact O-N 3.28Å; E137-K140 PolarHBondContact O-N 3.39Å; E137-K140 IonicContact OE1-NZ 2.92Å; E137-K140 WeakPolarHBondContact OE2-CE 3.44Å; E137-K140 IonicContact OE2-NZ 3.25Å; E137-K140 PolarHBondContact OE2-NZ 2.89Å; E137-K141 PolarHBondContact O-N 3.07Å
138N93.5Very high94.5Very high35 Ų3564.3 Ų64.319%0.18730%0.303CS..Hα-helixtrans-57.6-42.7168.6-7488.3000111.5G134 V135 K140 K141 F142 Y189G134-N138 PolarHBondContact O-N 3.49Å; G134-N138 VanDerWaalsContact O-N 3.12Å; G134-N138 PolarHBondContact O-OD1 3.38Å; V135-N138 PolarHBondContact O-N 3.3Å; N138-K140 PolarHBondContact O-N 3.37Å; N138-K141 WeakPolarHBondContact O-CB 3.42Å; N138-K141 PolarHBondContact O-N 2.94Å; N138-K141 VanDerWaalsContact O-N 3.08Å; N138-F142 PolarHBondContact O-N 3.29Å; N138-Y189 HydrophobicContact CB-CD2 3.68Å; N138-Y189 HydrophobicContact CB-CE2 4.35Å
139K95.6Very high94.6Very high56 Ų5662.3 Ų62.324%0.24330%0.296CS..Hα-helixtrans-56-46.5176.1-166.1-174.2-174.1-49.80112.2E34 V135 E137 K141 F142 D143 Y189E34-K139 VanDerWaalsContact CD-CE 3.42Å; E34-K139 WeakPolarHBondContact OE1-CE 3.42Å; E34-K139 WeakPolarHBondContact OE2-CE 3.45Å; V135-K139 PolarHBondContact O-N 3.36Å; E137-K139 VanDerWaalsContact C-N 3.3Å; E137-K139 PolarHBondContact O-N 3.28Å; K139-K141 VanDerWaalsContact C-N 3.26Å; K139-K141 PolarHBondContact O-N 3.36Å; K139-F142 WeakPolarHBondContact O-CB 3.46Å; K139-F142 PolarHBondContact O-N 2.93Å; K139-D143 IonicContact NZ-OD1 2.67Å; K139-D143 PolarHBondContact NZ-OD1 2.65Å; K139-D143 IonicContact NZ-OD2 2.67Å; K139-D143 PolarHBondContact NZ-OD2 3.46Å; K139-D143 WeakPolarHBondContact O-CB 3.32Å; K139-D143 PolarHBondContact O-N 2.96Å; K139-Y189 HydrophobicContact CB-CE1 4.36Å; K139-Y189 HydrophobicContact CB-CE2 3.68Å; K139-Y189 WeakPolarHBondContact CB-OH 3.31Å; K139-Y189 WeakPolarHBondContact CD-OH 3.21Å; K139-Y189 HydrophobicContact CG-CE1 4.09Å; K139-Y189 HydrophobicContact CG-CE2 4.27Å; K139-Y189 VanDerWaalsContact CG-OH 3.28Å; K139-Y189 WeakPolarHBondContact CG-OH 3.35Å
140K95.4Very high94.6Very high120 Ų12059.7 Ų59.752%0.52229%0.291SS..Hα-helixtrans-59.3-35.9177.4-67.3173.3-163.1165.70112.8K136 E137 N138 K144K136-K140 WeakPolarHBondContact O-CG 3.33Å; K136-K140 PolarHBondContact O-N 3.11Å; E137-K140 PolarHBondContact O-N 3.39Å; E137-K140 IonicContact OE1-NZ 2.92Å; E137-K140 WeakPolarHBondContact OE2-CE 3.44Å; E137-K140 IonicContact OE2-NZ 3.25Å; E137-K140 PolarHBondContact OE2-NZ 2.89Å; N138-K140 PolarHBondContact O-N 3.37Å; K140-K144 WeakPolarHBondContact O-CB 3.44Å; K140-K144 PolarHBondContact O-N 2.91Å; K140-K144 VanDerWaalsContact O-N 3.09Å
141K95.3Very high94.7Very high97 Ų9756.7 Ų56.742%0.42228%0.279SS..Hα-helixtrans-69.2-49176.8-63.8-178.1178-172.60110.9E137 N138 K139 K144 K145 E185E137-K141 PolarHBondContact O-N 3.07Å; N138-K141 WeakPolarHBondContact O-CB 3.42Å; N138-K141 PolarHBondContact O-N 2.94Å; N138-K141 VanDerWaalsContact O-N 3.08Å; K139-K141 VanDerWaalsContact C-N 3.26Å; K139-K141 PolarHBondContact O-N 3.36Å; K141-K144 PolarHBondContact O-N 2.93Å; K141-K145 WeakPolarHBondContact O-CG 3.35Å; K141-K145 PolarHBondContact O-N 2.94Å; K141-E185 HydrophobicContact CB-CG 4.4Å; K141-E185 WeakPolarHBondContact CB-OE2 3.43Å; K141-E185 VanDerWaalsContact CD-OE2 3.23Å; K141-E185 WeakPolarHBondContact CD-OE2 3.37Å
142F95.8Very high94.7Very high3 Ų356.2 Ų56.21%0.01328%0.279CS..Hα-helixtrans-54.6-54.3174.5165.9-112.1000111.7L30 N138 K139 K144 K145 T146 Y182 S186 Y189L30-F142 HydrophobicContact CD2-CE1 3.78Å; L30-F142 HydrophobicContact CD2-CZ 3.74Å; N138-F142 PolarHBondContact O-N 3.29Å; K139-F142 WeakPolarHBondContact O-CB 3.46Å; K139-F142 PolarHBondContact O-N 2.93Å; F142-K144 VanDerWaalsContact C-N 3.3Å; F142-K144 PolarHBondContact O-N 3.34Å; F142-K145 PolarHBondContact O-N 3.27Å; F142-T146 WeakPolarHBondContact O-CB 3.31Å; F142-T146 PolarHBondContact O-N 2.98Å; F142-T146 PolarHBondContact O-OG1 3.26Å; F142-Y182 HydrophobicContact CD2-CE2 4.31Å; F142-Y182 AromaticContact CE2-CE2 3.98Å; F142-Y182 HydrophobicContact CE2-CE2 3.98Å; F142-S186 VanDerWaalsContact CD2-OG 3.31Å; F142-S186 WeakPolarHBondContact CD2-OG 3.45Å; F142-S186 VanDerWaalsContact CE2-OG 3.28Å; F142-S186 WeakPolarHBondContact CE2-OG 3.31Å; F142-Y189 HydrophobicContact CB-CD1 3.98Å; F142-Y189 HydrophobicContact CB-CG 4.16Å; F142-Y189 AromaticContact CD1-CD1 3.48Å; F142-Y189 HydrophobicContact CD1-CD1 3.48Å; F142-Y189 VanDerWaalsContact CD1-CD1 3.48Å; F142-Y189 AromaticContact CD1-CE1 3.65Å; F142-Y189 HydrophobicContact CD1-CE1 3.65Å; F142-Y189 HydrophobicContact CD1-CG 4.46Å; F142-Y189 HydrophobicContact CD2-CD1 4.25Å; F142-Y189 AromaticContact CE1-CD1 3.89Å; F142-Y189 HydrophobicContact CE1-CD1 3.89Å; F142-Y189 AromaticContact CE1-CE1 3.92Å; F142-Y189 HydrophobicContact CE1-CE1 3.92Å; F142-Y189 AromaticContact CG-CD1 3.66Å; F142-Y189 HydrophobicContact CG-CD1 3.66Å; F142-Y189 HydrophobicContact CG-CE1 4.29Å; F142-Y189 HydrophobicContact CG-CG 4.3Å; F142-Y189 HydrophobicContact CZ-CD1 4.4Å
143D96.1Very high94.7Very high65 Ų6560 Ų6035%0.34830%0.296SS..Hα-helixtrans-53.5-47.3176.5-66.9-14.7000110.9K139 T146 E147K139-D143 IonicContact NZ-OD1 2.67Å; K139-D143 PolarHBondContact NZ-OD1 2.65Å; K139-D143 IonicContact NZ-OD2 2.67Å; K139-D143 PolarHBondContact NZ-OD2 3.46Å; K139-D143 WeakPolarHBondContact O-CB 3.32Å; K139-D143 PolarHBondContact O-N 2.96Å; D143-T146 WeakPolarHBondContact O-CB 3.23Å; D143-T146 PolarHBondContact O-N 3.34Å; D143-E147 WeakPolarHBondContact O-CB 3.47Å; D143-E147 PolarHBondContact O-N 3.47Å
144K97Very high94.9Very high132 Ų13264.1 Ų64.157%0.57431%0.307SS*.Hα-helixtrans-71-28.7-178.8-176.2173.4-177.4173.40114.4K140 K141 F142 K148K140-K144 WeakPolarHBondContact O-CB 3.44Å; K140-K144 PolarHBondContact O-N 2.91Å; K140-K144 VanDerWaalsContact O-N 3.09Å; K141-K144 PolarHBondContact O-N 2.93Å; F142-K144 VanDerWaalsContact C-N 3.3Å; F142-K144 PolarHBondContact O-N 3.34Å; K144-K148 WeakPolarHBondContact O-CG 3.16Å; K144-K148 PolarHBondContact O-N 2.98Å
145K96.3Very high94.9Very high42 Ų4271.4 Ų71.418%0.18333%0.328CS..Hα-helixtrans-79.9-38172.3-65.8-56.2-175.9115.60111.4K141 F142 K148 F149 E181 E185K141-K145 WeakPolarHBondContact O-CG 3.35Å; K141-K145 PolarHBondContact O-N 2.94Å; F142-K145 PolarHBondContact O-N 3.27Å; K145-K148 PolarHBondContact O-N 3.48Å; K145-F149 WeakPolarHBondContact O-CB 3.34Å; K145-F149 PolarHBondContact O-N 2.74Å; K145-E181 HydrophobicContact CD-CB 4.06Å; K145-E181 IonicContact NZ-OE1 2.65Å; K145-E181 PolarHBondContact NZ-OE1 3.23Å; K145-E181 IonicContact NZ-OE2 3.28Å; K145-E181 PolarHBondContact NZ-OE2 3.21Å; K145-E185 HydrophobicContact CG-CB 4.17Å; K145-E185 HydrophobicContact CG-CG 3.88Å
146T96.2Very high94.7Very high21 Ų2174 Ų7413%0.12934%0.34CS..Hα-helixtrans-55.3-52.2170.8-51.40000109.8F142 D143 K148 F149 C150 Y182F142-T146 WeakPolarHBondContact O-CB 3.31Å; F142-T146 PolarHBondContact O-N 2.98Å; F142-T146 PolarHBondContact O-OG1 3.26Å; D143-T146 WeakPolarHBondContact O-CB 3.23Å; D143-T146 PolarHBondContact O-N 3.34Å; T146-K148 PolarHBondContact O-N 2.9Å; T146-F149 PolarHBondContact O-N 3.45Å; T146-C150 PolarHBondContact O-N 2.96Å; T146-C150 PolarHBondContact O-SG 3.49Å; T146-Y182 HydrophobicContact CG2-CE2 4.22Å; T146-Y182 VanDerWaalsContact OG1-CE2 3.25Å; T146-Y182 WeakPolarHBondContact OG1-CE2 3.31Å
147E96.4Very high94.8Very high110 Ų11075.6 Ų75.651%0.51435%0.352SS..Hα-helixtrans-53.7-49.5177.1-173.7-164.8172.300112.1D143 Q151D143-E147 WeakPolarHBondContact O-CB 3.47Å; D143-E147 PolarHBondContact O-N 3.47Å; E147-Q151 WeakPolarHBondContact O-CB 3.3Å; E147-Q151 VanDerWaalsContact O-CG 3.3Å; E147-Q151 WeakPolarHBondContact O-CG 3.19Å; E147-Q151 PolarHBondContact O-N 2.9Å; E147-Q151 PolarHBondContact OE1-NE2 2.9Å
148K95.8Very high94.9Very high89 Ų8977 Ų7739%0.38736%0.362SS..Hα-helixtrans-62.9-43.4178.7-81.6-174.1165.7-151.40113.2K144 K145 T146 S152K144-K148 WeakPolarHBondContact O-CG 3.16Å; K144-K148 PolarHBondContact O-N 2.98Å; K145-K148 PolarHBondContact O-N 3.48Å; T146-K148 PolarHBondContact O-N 2.9Å; K148-S152 WeakPolarHBondContact O-CB 3.41Å; K148-S152 PolarHBondContact O-N 3.43Å
149F96.4Very high94.7Very high26 Ų2676.7 Ų76.711%0.11436%0.36CS..Hα-helixtrans-63.6-51.1179.4171.2-120000110.6K145 T146 Q151 S152 Q153 L175 E179 Y182K145-F149 WeakPolarHBondContact O-CB 3.34Å; K145-F149 PolarHBondContact O-N 2.74Å; T146-F149 PolarHBondContact O-N 3.45Å; F149-Q151 PolarHBondContact O-N 3.35Å; F149-S152 PolarHBondContact O-N 3.21Å; F149-S152 VanDerWaalsContact O-N 3.1Å; F149-Q153 WeakPolarHBondContact O-CB 3.3Å; F149-Q153 PolarHBondContact O-N 2.96Å; F149-L175 HydrophobicContact CD2-CD1 3.98Å; F149-L175 HydrophobicContact CE2-CD1 3.79Å; F149-E179 HydrophobicContact CD2-CB 3.94Å; F149-E179 HydrophobicContact CE2-CB 3.61Å; F149-E179 HydrophobicContact CE2-CG 3.89Å; F149-E179 HydrophobicContact CZ-CB 4.44Å; F149-E179 HydrophobicContact CZ-CG 4.26Å; F149-Y182 HydrophobicContact CB-CG 4.24Å; F149-Y182 AromaticContact CD1-CD1 3.63Å; F149-Y182 HydrophobicContact CD1-CD1 3.63Å; F149-Y182 HydrophobicContact CD1-CE1 4.12Å; F149-Y182 HydrophobicContact CD1-CG 4.06Å; F149-Y182 AromaticContact CE1-CD1 3.97Å; F149-Y182 HydrophobicContact CE1-CD1 3.97Å; F149-Y182 HydrophobicContact CE1-CE1 4.24Å; F149-Y182 HydrophobicContact CG-CD1 4.17Å; F149-Y182 HydrophobicContact CG-CG 4.29Å
150C94.9Very high94.4Very high59 Ų5977.1 Ų77.140%0.39937%0.37SS..Hα-helixtrans-59.1-44.2176.4-620000112.2T146 S152 Q153 E154T146-C150 PolarHBondContact O-N 2.96Å; T146-C150 PolarHBondContact O-SG 3.49Å; C150-S152 VanDerWaalsContact C-N 3.33Å; C150-S152 PolarHBondContact O-N 3.44Å; C150-Q153 PolarHBondContact O-N 3.09Å; C150-E154 WeakPolarHBondContact O-CB 3.24Å; C150-E154 PolarHBondContact O-N 3.16Å
151Q95.1Very high94Very high66 Ų6677.7 Ų77.731%0.30838%0.384SS..Hα-helixtrans-64.1-35.3175.2-74.8179.823.500112.9E147 F149 R155E147-Q151 WeakPolarHBondContact O-CB 3.3Å; E147-Q151 VanDerWaalsContact O-CG 3.3Å; E147-Q151 WeakPolarHBondContact O-CG 3.19Å; E147-Q151 PolarHBondContact O-N 2.9Å; E147-Q151 PolarHBondContact OE1-NE2 2.9Å; F149-Q151 PolarHBondContact O-N 3.35Å; Q151-R155 WeakPolarHBondContact O-CB 3.42Å; Q151-R155 VanDerWaalsContact O-CD 3.31Å; Q151-R155 WeakPolarHBondContact O-CD 3.38Å; Q151-R155 WeakPolarHBondContact O-CG 3.47Å; Q151-R155 PolarHBondContact O-N 2.71Å; Q151-R155 VanDerWaalsContact O-N 3.12Å
152S93.5Very high93.7Very high15 Ų1582.1 Ų82.111%0.10540%0.404CS..Hα-helixtrans-70.5-41.2176.3-161.50000111.2K148 F149 C150 R155 F156K148-S152 WeakPolarHBondContact O-CB 3.41Å; K148-S152 PolarHBondContact O-N 3.43Å; F149-S152 PolarHBondContact O-N 3.21Å; F149-S152 VanDerWaalsContact O-N 3.1Å; C150-S152 VanDerWaalsContact C-N 3.33Å; C150-S152 PolarHBondContact O-N 3.44Å; S152-R155 PolarHBondContact O-N 2.79Å; S152-F156 WeakPolarHBondContact O-CB 3.34Å; S152-F156 PolarHBondContact O-N 2.98Å
153Q94.5Very high93.4Very high81 Ų8186.6 Ų86.638%0.37942%0.423SS..Hα-helixtrans-64.7-47.5177.6-171.3-175.664.900110.9F149 C150 R155 F156 L157 L175F149-Q153 WeakPolarHBondContact O-CB 3.3Å; F149-Q153 PolarHBondContact O-N 2.96Å; C150-Q153 PolarHBondContact O-N 3.09Å; Q153-R155 PolarHBondContact O-N 2.6Å; Q153-F156 PolarHBondContact O-N 3.1Å; Q153-L157 HydrophobicContact CG-CD1 3.98Å; Q153-L157 HydrophobicContact CG-CG 4.49Å; Q153-L157 WeakPolarHBondContact O-CB 3.25Å; Q153-L157 VanDerWaalsContact O-CG 3.3Å; Q153-L157 WeakPolarHBondContact O-CG 3.46Å; Q153-L157 PolarHBondContact O-N 3.32Å; Q153-L175 HydrophobicContact CB-CD1 3.87Å; Q153-L175 HydrophobicContact CG-CD1 4.49Å
154E95Very high93.1Very high117 Ų11787.6 Ų87.655%0.54743%0.433SS..Hα-helixtrans-59.5-43.6175.3-178.5-178.6-156.100111.9C150 F156 N158C150-E154 WeakPolarHBondContact O-CB 3.24Å; C150-E154 PolarHBondContact O-N 3.16Å; E154-F156 VanDerWaalsContact C-N 3.33Å; E154-F156 PolarHBondContact O-N 3.02Å; E154-N158 VanDerWaalsContact CG-ND2 3.3Å; E154-N158 WeakPolarHBondContact CG-ND2 3.5Å; E154-N158 VanDerWaalsContact O-CB 3.28Å; E154-N158 WeakPolarHBondContact O-CB 3.35Å; E154-N158 PolarHBondContact O-N 3.25Å; E154-N158 PolarHBondContact O-ND2 2.91Å
155R92.5Very high92.7Very high172 Ų17286.6 Ų86.665%0.64943%0.43SS*.Hα-helixtrans-66.3-33.4177.2-72.9169.4-163.4-171.29.6113Q151 S152 Q153 M159Q151-R155 WeakPolarHBondContact O-CB 3.42Å; Q151-R155 VanDerWaalsContact O-CD 3.31Å; Q151-R155 WeakPolarHBondContact O-CD 3.38Å; Q151-R155 WeakPolarHBondContact O-CG 3.47Å; Q151-R155 PolarHBondContact O-N 2.71Å; Q151-R155 VanDerWaalsContact O-N 3.12Å; S152-R155 PolarHBondContact O-N 2.79Å; Q153-R155 PolarHBondContact O-N 2.6Å; R155-M159 PolarHBondContact O-N 2.77Å
156F92.4Very high92.4Very high58 Ų5890 Ų9025%0.25445%0.45SS..Hα-helixtrans-72.1-48.4176.2-176.9-100.3000111.2S152 Q153 E154 N158 M159 A171 D172 L175S152-F156 WeakPolarHBondContact O-CB 3.34Å; S152-F156 PolarHBondContact O-N 2.98Å; Q153-F156 PolarHBondContact O-N 3.1Å; E154-F156 VanDerWaalsContact C-N 3.33Å; E154-F156 PolarHBondContact O-N 3.02Å; F156-N158 PolarHBondContact O-N 3.16Å; F156-M159 HydrophobicContact CD2-CE 3.85Å; F156-M159 HydrophobicContact CE2-CE 4.1Å; F156-M159 WeakPolarHBondContact O-CB 3.46Å; F156-M159 PolarHBondContact O-N 3.27Å; F156-A171 HydrophobicContact CD2-CB 3.9Å; F156-A171 HydrophobicContact CE2-CB 4.45Å; F156-D172 HydrophobicContact CE2-CB 3.83Å; F156-D172 HydrophobicContact CZ-CB 4.26Å; F156-L175 HydrophobicContact CB-CD2 4.09Å; F156-L175 HydrophobicContact CD1-CD2 3.76Å; F156-L175 HydrophobicContact CE1-CD2 4.3Å; F156-L175 HydrophobicContact CG-CD2 3.9Å
157L92.3Very high92.2Very high127 Ų12791.1 Ų91.167%0.66546%0.457SS*.Hα-helixtrans-65-35.4179-67.9172.8000113Q153 M159Q153-L157 HydrophobicContact CG-CD1 3.98Å; Q153-L157 HydrophobicContact CG-CG 4.49Å; Q153-L157 WeakPolarHBondContact O-CB 3.25Å; Q153-L157 VanDerWaalsContact O-CG 3.3Å; Q153-L157 WeakPolarHBondContact O-CG 3.46Å; Q153-L157 PolarHBondContact O-N 3.32Å; L157-M159 PolarHBondContact O-N 3.02Å
158N92.7Very high91.9Very high125 Ų12587.9 Ų87.967%0.66844%0.443SS*.THydrogen-bonded Turntrans-80.94.7174.4-72.5-56000113.8E154 F156E154-N158 VanDerWaalsContact CG-ND2 3.3Å; E154-N158 WeakPolarHBondContact CG-ND2 3.5Å; E154-N158 VanDerWaalsContact O-CB 3.28Å; E154-N158 WeakPolarHBondContact O-CB 3.35Å; E154-N158 PolarHBondContact O-N 3.25Å; E154-N158 PolarHBondContact O-ND2 2.91Å; F156-N158 PolarHBondContact O-N 3.16Å
159M90.2Very high91.7Very high29 Ų2988.8 Ų88.814%0.14345%0.449CS..SBendtrans-80.5127.1-177.9-170.2160.356.700111.8R155 F156 L157 T161 K163 I168 A171R155-M159 PolarHBondContact O-N 2.77Å; F156-M159 HydrophobicContact CD2-CE 3.85Å; F156-M159 HydrophobicContact CE2-CE 4.1Å; F156-M159 WeakPolarHBondContact O-CB 3.46Å; F156-M159 PolarHBondContact O-N 3.27Å; L157-M159 PolarHBondContact O-N 3.02Å; M159-T161 PolarHBondContact O-N 3.43Å; M159-K163 HydrophobicContact CG-CD 3.7Å; M159-K163 HydrophobicContact CG-CG 4.29Å; M159-K163 HydrophobicContact SD-CD 3.66Å; M159-K163 PolarHBondContact SD-NZ 2.9Å; M159-I168 HydrophobicContact CE-CB 4.28Å; M159-I168 HydrophobicContact CE-CG1 4.13Å; M159-I168 HydrophobicContact CE-CG2 4.17Å; M159-A171 HydrophobicContact CE-CB 3.69Å; M159-A171 HydrophobicContact SD-CB 4.12Å
160S88.5Confident91.4Very high65 Ų6593.6 Ų93.646%0.45547%0.472SS..  trans-64.9130.2175.9-172.90000111.9K162 K163S160-K162 PolarHBondContact O-N 3.43Å; S160-K162 PolarHBondContact OG-N 3.48Å; S160-K163 PolarHBondContact O-N 3.43Å; S160-K163 VanDerWaalsContact O-N 3.1Å
161T87.5Confident91.3Very high133 Ų13392 Ų9282%0.81646%0.463SS*.THydrogen-bonded Turntrans-59.8-0.6171.153.40000114.8M159M159-T161 PolarHBondContact O-N 3.43Å
162K89.2Confident91.2Very high190 Ų19093.3 Ų93.383%0.82647%0.472SS*.THydrogen-bonded Turntrans-92.5-1.6174.1-61.8-178.1178.8-179.90114S160S160-K162 PolarHBondContact O-N 3.43Å; S160-K162 PolarHBondContact OG-N 3.48Å
163K87.9Confident91.3Very high97 Ų9795.5 Ų95.542%0.42249%0.491SS..SBendtrans-69.2157.9174.4-76.4-159.5-169.3168.60111.4M159 S160 T167 I168M159-K163 HydrophobicContact CG-CD 3.7Å; M159-K163 HydrophobicContact CG-CG 4.29Å; M159-K163 HydrophobicContact SD-CD 3.66Å; M159-K163 PolarHBondContact SD-NZ 2.9Å; S160-K163 PolarHBondContact O-N 3.43Å; S160-K163 VanDerWaalsContact O-N 3.1Å; K163-T167 HydrophobicContact CD-CG2 3.77Å; K163-I168 HydrophobicContact CB-CG1 4.27Å
164P90.2Very high91.2Very high86 Ų8693.6 Ų93.656%0.55849%0.487SS*.  trans-57.4140.7170.2-2233.7000111.4N166 T167 I168P164-N166 VanDerWaalsContact C-N 3.28Å; P164-N166 PolarHBondContact O-N 2.98Å; P164-T167 WeakPolarHBondContact O-CA 3.39Å; P164-T167 WeakPolarHBondContact O-CB 3.3Å; P164-T167 PolarHBondContact O-N 2.86Å; P164-I168 PolarHBondContact O-N 2.92Å
165E89.7Confident91.2Very high111 Ų11189.1 Ų89.152%0.51947%0.466SS..Hα-helixtrans-50-46.1-179.8179.358.1-157.600112.4T167 I168 Q169E165-T167 VanDerWaalsContact C-N 3.25Å; E165-T167 PolarHBondContact O-N 2.9Å; E165-I168 WeakPolarHBondContact O-CA 3.46Å; E165-I168 WeakPolarHBondContact O-CB 3.49Å; E165-I168 PolarHBondContact O-N 3.33Å; E165-Q169 WeakPolarHBondContact O-CG 3.4Å; E165-Q169 PolarHBondContact O-N 2.95Å; E165-Q169 PolarHBondContact OE1-NE2 3.42Å
166N90.3Very high91.3Very high112 Ų11281.9 Ų81.960%0.59945%0.445SS*.Hα-helixtrans-54.2-39.9176.3-60.417.4000112.7P164 I168 Q169 E170P164-N166 VanDerWaalsContact C-N 3.28Å; P164-N166 PolarHBondContact O-N 2.98Å; N166-I168 VanDerWaalsContact C-N 3.31Å; N166-I168 PolarHBondContact O-N 3.45Å; N166-Q169 PolarHBondContact O-N 2.91Å; N166-E170 WeakPolarHBondContact O-CB 3.45Å; N166-E170 VanDerWaalsContact O-CG 3.26Å; N166-E170 WeakPolarHBondContact O-CG 3.38Å; N166-E170 PolarHBondContact O-N 3.35Å
167T91Very high91.5Very high45 Ų4583.1 Ų83.128%0.27645%0.452SS..Hα-helixtrans-73.9-23.5179.3-50.90000112.3K163 P164 E165 A171K163-T167 HydrophobicContact CD-CG2 3.77Å; P164-T167 WeakPolarHBondContact O-CA 3.39Å; P164-T167 WeakPolarHBondContact O-CB 3.3Å; P164-T167 PolarHBondContact O-N 2.86Å; E165-T167 VanDerWaalsContact C-N 3.25Å; E165-T167 PolarHBondContact O-N 2.9Å; T167-A171 PolarHBondContact O-N 3.07Å
168I90.2Very high91.6Very high42 Ų4278.5 Ų78.522%0.21543%0.427CS..Hα-helixtrans-74.5-46.2171.3-59176.2000109.2M159 K163 P164 E165 N166 E170 A171 D172M159-I168 HydrophobicContact CE-CB 4.28Å; M159-I168 HydrophobicContact CE-CG1 4.13Å; M159-I168 HydrophobicContact CE-CG2 4.17Å; K163-I168 HydrophobicContact CB-CG1 4.27Å; P164-I168 PolarHBondContact O-N 2.92Å; E165-I168 WeakPolarHBondContact O-CA 3.46Å; E165-I168 WeakPolarHBondContact O-CB 3.49Å; E165-I168 PolarHBondContact O-N 3.33Å; N166-I168 VanDerWaalsContact C-N 3.31Å; N166-I168 PolarHBondContact O-N 3.45Å; I168-E170 PolarHBondContact O-N 3.43Å; I168-A171 PolarHBondContact O-N 3.36Å; I168-D172 WeakPolarHBondContact O-CB 3.43Å; I168-D172 PolarHBondContact O-N 2.63Å
169Q91.1Very high91.8Very high108 Ų10876.7 Ų76.751%0.50542%0.415SS..Hα-helixtrans-63.4-38.5176.8-65.3178.56.300113E165 N166 A171 D172 A173E165-Q169 WeakPolarHBondContact O-CG 3.4Å; E165-Q169 PolarHBondContact O-N 2.95Å; E165-Q169 PolarHBondContact OE1-NE2 3.42Å; N166-Q169 PolarHBondContact O-N 2.91Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 2.65Å; Q169-D172 PolarHBondContact O-N 3.45Å; Q169-A173 VanDerWaalsContact O-CB 3.28Å; Q169-A173 WeakPolarHBondContact O-CB 3.37Å; Q169-A173 PolarHBondContact O-N 3.13Å
170E91.7Very high92Very high128 Ų12883.5 Ų83.560%0.59844%0.439SS*.Hα-helixtrans-60.4-41.2172.4-78.5167.8179.400112.2N166 I168 S174N166-E170 WeakPolarHBondContact O-CB 3.45Å; N166-E170 VanDerWaalsContact O-CG 3.26Å; N166-E170 WeakPolarHBondContact O-CG 3.38Å; N166-E170 PolarHBondContact O-N 3.35Å; I168-E170 PolarHBondContact O-N 3.43Å; E170-S174 WeakPolarHBondContact O-CB 3.39Å; E170-S174 PolarHBondContact O-N 3.04Å
171A92.1Very high92.4Very high26 Ų2682.9 Ų82.922%0.21543%0.429CS..Hα-helixtrans-74.8-37179.700000112.4F156 M159 T167 I168 Q169 S174 L175F156-A171 HydrophobicContact CD2-CB 3.9Å; F156-A171 HydrophobicContact CE2-CB 4.45Å; M159-A171 HydrophobicContact CE-CB 3.69Å; M159-A171 HydrophobicContact SD-CB 4.12Å; T167-A171 PolarHBondContact O-N 3.07Å; I168-A171 PolarHBondContact O-N 3.36Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 2.65Å; A171-S174 PolarHBondContact O-N 3.38Å; A171-L175 WeakPolarHBondContact O-CB 3.41Å; A171-L175 PolarHBondContact O-N 2.64Å
172D93.4Very high92.8Very high93 Ų9376.9 Ų76.950%0.49739%0.391SS..Hα-helixtrans-62.3-49.3172.7-175.773.3000111.1F156 I168 Q169 S174 L175 G176F156-D172 HydrophobicContact CE2-CB 3.83Å; F156-D172 HydrophobicContact CZ-CB 4.26Å; I168-D172 WeakPolarHBondContact O-CB 3.43Å; I168-D172 PolarHBondContact O-N 2.63Å; Q169-D172 PolarHBondContact O-N 3.45Å; D172-S174 VanDerWaalsContact C-N 3.27Å; D172-S174 PolarHBondContact O-N 2.64Å; D172-L175 WeakPolarHBondContact O-CB 3.34Å; D172-L175 PolarHBondContact O-N 3.48Å; D172-G176 PolarHBondContact O-N 3.46Å
173A94Very high93.1Very high61 Ų6170 Ų7050%0.50436%0.363SS..Hα-helixtrans-60.1-36174.600000112.6Q169 M177Q169-A173 VanDerWaalsContact O-CB 3.28Å; Q169-A173 WeakPolarHBondContact O-CB 3.37Å; Q169-A173 PolarHBondContact O-N 3.13Å; A173-M177 VanDerWaalsContact O-CB 3.29Å; A173-M177 WeakPolarHBondContact O-CB 3.43Å; A173-M177 PolarHBondContact O-N 2.92Å
174S93.7Very high93.5Very high41 Ų4171.7 Ų71.729%0.28737%0.372SS..Hα-helixtrans-69.9-36.3173.7-171.10000112.8E170 A171 D172 M177 H178E170-S174 WeakPolarHBondContact O-CB 3.39Å; E170-S174 PolarHBondContact O-N 3.04Å; A171-S174 PolarHBondContact O-N 3.38Å; D172-S174 VanDerWaalsContact C-N 3.27Å; D172-S174 PolarHBondContact O-N 2.64Å; S174-M177 PolarHBondContact O-N 3.28Å; S174-H178 PolarHBondContact O-CD2 3.09Å; S174-H178 PolarHBondContact O-N 3.48Å
175L95.4Very high93.8Very high23 Ų2369.2 Ų69.212%0.1235%0.354CS..Hα-helixtrans-67.3-53.5175.7177.556.5000110.5F149 Q153 F156 A171 D172 M177 H178 E179F149-L175 HydrophobicContact CD2-CD1 3.98Å; F149-L175 HydrophobicContact CE2-CD1 3.79Å; Q153-L175 HydrophobicContact CB-CD1 3.87Å; Q153-L175 HydrophobicContact CG-CD1 4.49Å; F156-L175 HydrophobicContact CB-CD2 4.09Å; F156-L175 HydrophobicContact CD1-CD2 3.76Å; F156-L175 HydrophobicContact CE1-CD2 4.3Å; F156-L175 HydrophobicContact CG-CD2 3.9Å; A171-L175 WeakPolarHBondContact O-CB 3.41Å; A171-L175 PolarHBondContact O-N 2.64Å; D172-L175 WeakPolarHBondContact O-CB 3.34Å; D172-L175 PolarHBondContact O-N 3.48Å; L175-M177 PolarHBondContact O-N 2.89Å; L175-H178 PolarHBondContact O-N 3.46Å; L175-E179 WeakPolarHBondContact O-CB 3.46Å; L175-E179 PolarHBondContact O-N 2.91Å
176G94.3Very high94Very high19 Ų1964 Ų6420%0.19633%0.329CS..Hα-helixtrans-64.6-19.1175.900000113.7D172 R180D172-G176 PolarHBondContact O-N 3.46Å; G176-R180 WeakPolarHBondContact O-CG 3.4Å; G176-R180 PolarHBondContact O-NE 3.5Å; G176-R180 PolarHBondContact O-NH2 3.02Å
177M95.7Very high94.3Very high84 Ų8460.8 Ų60.841%0.41431%0.312SS..Hα-helixtrans-70.9-54.9165-178.9-17766.200111A173 S174 L175 E179 R180 E181A173-M177 VanDerWaalsContact O-CB 3.29Å; A173-M177 WeakPolarHBondContact O-CB 3.43Å; A173-M177 PolarHBondContact O-N 2.92Å; S174-M177 PolarHBondContact O-N 3.28Å; L175-M177 PolarHBondContact O-N 2.89Å; M177-E179 VanDerWaalsContact C-N 3.31Å; M177-E179 PolarHBondContact O-N 3.37Å; M177-R180 PolarHBondContact O-N 3.24Å; M177-E181 WeakPolarHBondContact O-CG 3.48Å; M177-E181 PolarHBondContact O-N 3.1Å
178H96Very high94.6Very high30 Ų3061 Ų6114%0.13932%0.315CS..Hα-helixtrans-66.9-29.3-177.6-73.6-38.6000113.8S174 L175 E181 Y182S174-H178 PolarHBondContact O-CD2 3.09Å; S174-H178 PolarHBondContact O-N 3.48Å; L175-H178 PolarHBondContact O-N 3.46Å; H178-E181 IonicContact CE1-OE2 3.44Å; H178-E181 PolarHBondContact CE1-OE2 3.21Å; H178-E181 IonicContact CG-OE2 3.97Å; H178-E181 IonicContact ND1-OE2 3.89Å; H178-E181 PolarHBondContact ND1-OE2 3.23Å; H178-E181 PolarHBondContact O-N 3.12Å; H178-Y182 VanDerWaalsContact O-CB 3.23Å; H178-Y182 WeakPolarHBondContact O-CB 3.46Å; H178-Y182 PolarHBondContact O-N 3.29Å
179E95.5Very high94.9Very high88 Ų8859.2 Ų59.241%0.41131%0.306SS..Hα-helixtrans-60.7-51.5170.8-176.2179.2-137.900111.7F149 L175 M177 E181 Y182 I183F149-E179 HydrophobicContact CD2-CB 3.94Å; F149-E179 HydrophobicContact CE2-CB 3.61Å; F149-E179 HydrophobicContact CE2-CG 3.89Å; F149-E179 HydrophobicContact CZ-CB 4.44Å; F149-E179 HydrophobicContact CZ-CG 4.26Å; L175-E179 WeakPolarHBondContact O-CB 3.46Å; L175-E179 PolarHBondContact O-N 2.91Å; M177-E179 VanDerWaalsContact C-N 3.31Å; M177-E179 PolarHBondContact O-N 3.37Å; E179-E181 VanDerWaalsContact C-N 3.34Å; E179-E181 PolarHBondContact O-N 2.87Å; E179-Y182 WeakPolarHBondContact O-CB 3.49Å; E179-Y182 PolarHBondContact O-N 2.98Å; E179-Y182 VanDerWaalsContact O-N 3.14Å; E179-I183 HydrophobicContact CG-CD1 3.95Å; E179-I183 WeakPolarHBondContact O-CG1 3.33Å; E179-I183 PolarHBondContact O-N 2.75Å
180R95.5Very high95.1Very high171 Ų17154.1 Ų54.165%0.64528%0.282SS*.Hα-helixtrans-62.3-41.3175.9-74.7177.6-70175.3-2.5111.9G176 M177 Y182 Q184G176-R180 WeakPolarHBondContact O-CG 3.4Å; G176-R180 PolarHBondContact O-NE 3.5Å; G176-R180 PolarHBondContact O-NH2 3.02Å; M177-R180 PolarHBondContact O-N 3.24Å; R180-Y182 VanDerWaalsContact C-N 3.29Å; R180-Y182 PolarHBondContact O-N 3.37Å; R180-Q184 VanDerWaalsContact O-CB 3.22Å; R180-Q184 WeakPolarHBondContact O-CB 3.44Å; R180-Q184 PolarHBondContact O-N 3.37Å
181E96.2Very high95.3Very high52 Ų5252.8 Ų52.824%0.24328%0.278CS..Hα-helixtrans-62.2-35.7174-73.3-162.6118.100113.1K145 M177 H178 E179 E185K145-E181 HydrophobicContact CD-CB 4.06Å; K145-E181 IonicContact NZ-OE1 2.65Å; K145-E181 PolarHBondContact NZ-OE1 3.23Å; K145-E181 IonicContact NZ-OE2 3.28Å; K145-E181 PolarHBondContact NZ-OE2 3.21Å; M177-E181 WeakPolarHBondContact O-CG 3.48Å; M177-E181 PolarHBondContact O-N 3.1Å; H178-E181 IonicContact CE1-OE2 3.44Å; H178-E181 PolarHBondContact CE1-OE2 3.21Å; H178-E181 IonicContact CG-OE2 3.97Å; H178-E181 IonicContact ND1-OE2 3.89Å; H178-E181 PolarHBondContact ND1-OE2 3.23Å; H178-E181 PolarHBondContact O-N 3.12Å; E179-E181 VanDerWaalsContact C-N 3.34Å; E179-E181 PolarHBondContact O-N 2.87Å; E181-E185 PolarHBondContact O-N 2.81Å
182Y95.6Very high95.4Very high8 Ų853.5 Ų53.53%0.03128%0.275CS..Hα-helixtrans-69.2-59.9177164.4-118.1000110.5D22 R27 F142 T146 F149 H178 E179 R180 Q184 E185 S186D22-Y182 PolarHBondContact OD1-OH 2.93Å; D22-Y182 PolarHBondContact OD2-OH 3.24Å; R27-Y182 PolarHBondContact NH2-OH 2.9Å; R27-Y182 VanDerWaalsContact NH2-OH 3.1Å; F142-Y182 HydrophobicContact CD2-CE2 4.31Å; F142-Y182 AromaticContact CE2-CE2 3.98Å; F142-Y182 HydrophobicContact CE2-CE2 3.98Å; T146-Y182 HydrophobicContact CG2-CE2 4.22Å; T146-Y182 VanDerWaalsContact OG1-CE2 3.25Å; T146-Y182 WeakPolarHBondContact OG1-CE2 3.31Å; F149-Y182 HydrophobicContact CB-CG 4.24Å; F149-Y182 AromaticContact CD1-CD1 3.63Å; F149-Y182 HydrophobicContact CD1-CD1 3.63Å; F149-Y182 HydrophobicContact CD1-CE1 4.12Å; F149-Y182 HydrophobicContact CD1-CG 4.06Å; F149-Y182 AromaticContact CE1-CD1 3.97Å; F149-Y182 HydrophobicContact CE1-CD1 3.97Å; F149-Y182 HydrophobicContact CE1-CE1 4.24Å; F149-Y182 HydrophobicContact CG-CD1 4.17Å; F149-Y182 HydrophobicContact CG-CG 4.29Å; H178-Y182 VanDerWaalsContact O-CB 3.23Å; H178-Y182 WeakPolarHBondContact O-CB 3.46Å; H178-Y182 PolarHBondContact O-N 3.29Å; E179-Y182 WeakPolarHBondContact O-CB 3.49Å; E179-Y182 PolarHBondContact O-N 2.98Å; E179-Y182 VanDerWaalsContact O-N 3.14Å; R180-Y182 VanDerWaalsContact C-N 3.29Å; R180-Y182 PolarHBondContact O-N 3.37Å; Y182-Q184 PolarHBondContact O-N 3.15Å; Y182-Q184 VanDerWaalsContact O-N 3.16Å; Y182-E185 PolarHBondContact O-N 3.48Å; Y182-E185 VanDerWaalsContact O-N 3.08Å; Y182-S186 WeakPolarHBondContact CD2-OG 3.49Å; Y182-S186 WeakPolarHBondContact CE2-OG 3.35Å; Y182-S186 PolarHBondContact O-N 3.33Å; Y182-S186 PolarHBondContact O-OG 2.88Å
183I95.6Very high95.6Very high45 Ų4549.1 Ų49.123%0.23125%0.252CS..Hα-helixtrans-53.1-41.4179.9-66.4168.4000111I20 E179 S186 L187I20-I183 HydrophobicContact CG1-CG2 4.16Å; E179-I183 HydrophobicContact CG-CD1 3.95Å; E179-I183 WeakPolarHBondContact O-CG1 3.33Å; E179-I183 PolarHBondContact O-N 2.75Å; I183-S186 PolarHBondContact O-N 3.1Å; I183-L187 HydrophobicContact CG2-CD1 3.69Å; I183-L187 HydrophobicContact CG2-CG 4.19Å; I183-L187 WeakPolarHBondContact O-CB 3.44Å; I183-L187 VanDerWaalsContact O-CG 3.28Å; I183-L187 WeakPolarHBondContact O-CG 3.39Å; I183-L187 PolarHBondContact O-N 2.86Å
184Q96.1Very high95.6Very high132 Ų13248.7 Ų48.762%0.61724%0.24SC*.Hα-helixtrans-60.9-47.2178.1-175.9178.44.400113.4R180 Y182 S188R180-Q184 VanDerWaalsContact O-CB 3.22Å; R180-Q184 WeakPolarHBondContact O-CB 3.44Å; R180-Q184 PolarHBondContact O-N 3.37Å; Y182-Q184 PolarHBondContact O-N 3.15Å; Y182-Q184 VanDerWaalsContact O-N 3.16Å; Q184-S188 VanDerWaalsContact O-CB 3.3Å; Q184-S188 WeakPolarHBondContact O-CB 3.36Å; Q184-S188 PolarHBondContact O-N 3.01Å; Q184-S188 VanDerWaalsContact O-N 3.16Å; Q184-S188 PolarHBondContact O-OG 3.31Å
185E95.9Very high95.6Very high35 Ų3549.8 Ų49.816%0.16424%0.24CC..Hα-helixtrans-75.2-30.2178.4-69.3-79.6-177.100111.7K141 K145 E181 Y182 S188 Y189K141-E185 HydrophobicContact CB-CG 4.4Å; K141-E185 WeakPolarHBondContact CB-OE2 3.43Å; K141-E185 VanDerWaalsContact CD-OE2 3.23Å; K141-E185 WeakPolarHBondContact CD-OE2 3.37Å; K145-E185 HydrophobicContact CG-CB 4.17Å; K145-E185 HydrophobicContact CG-CG 3.88Å; E181-E185 PolarHBondContact O-N 2.81Å; Y182-E185 PolarHBondContact O-N 3.48Å; Y182-E185 VanDerWaalsContact O-N 3.08Å; E185-S188 PolarHBondContact O-N 3.02Å; E185-Y189 VanDerWaalsContact O-CB 3.28Å; E185-Y189 WeakPolarHBondContact O-CB 3.46Å; E185-Y189 PolarHBondContact O-N 3.18Å
186S95.6Very high95.7Very high0 Ų048.7 Ų48.70%024%0.235CC..Hα-helixtrans-63-53.2174.1-57.80000112.4F142 Y182 I183 S188 Y189 V190F142-S186 VanDerWaalsContact CD2-OG 3.31Å; F142-S186 WeakPolarHBondContact CD2-OG 3.45Å; F142-S186 VanDerWaalsContact CE2-OG 3.28Å; F142-S186 WeakPolarHBondContact CE2-OG 3.31Å; Y182-S186 WeakPolarHBondContact CD2-OG 3.49Å; Y182-S186 WeakPolarHBondContact CE2-OG 3.35Å; Y182-S186 PolarHBondContact O-N 3.33Å; Y182-S186 PolarHBondContact O-OG 2.88Å; I183-S186 PolarHBondContact O-N 3.1Å; S186-S188 VanDerWaalsContact C-N 3.27Å; S186-S188 PolarHBondContact O-N 3.3Å; S186-Y189 PolarHBondContact O-N 3.4Å; S186-Y189 VanDerWaalsContact O-N 3.1Å; S186-V190 PolarHBondContact O-N 2.75Å
187L96.3Very high95.6Very high46 Ų4649.9 Ų49.924%0.24124%0.235CC..Hα-helixtrans-60.8-39.1175.8-65.8172.7000111.1F16 C19 I20 I183 Y189 L191F16-L187 HydrophobicContact CB-CD2 3.73Å; F16-L187 HydrophobicContact CD1-CD2 3.41Å; F16-L187 VanDerWaalsContact CD1-CD2 3.41Å; F16-L187 HydrophobicContact CE1-CD2 4.25Å; F16-L187 HydrophobicContact CG-CD2 3.84Å; C19-L187 HydrophobicContact CB-CD2 4.26Å; I20-L187 HydrophobicContact CD1-CD2 4.39Å; I20-L187 HydrophobicContact CG1-CD2 4.19Å; I183-L187 HydrophobicContact CG2-CD1 3.69Å; I183-L187 HydrophobicContact CG2-CG 4.19Å; I183-L187 WeakPolarHBondContact O-CB 3.44Å; I183-L187 VanDerWaalsContact O-CG 3.28Å; I183-L187 WeakPolarHBondContact O-CG 3.39Å; I183-L187 PolarHBondContact O-N 2.86Å; L187-Y189 VanDerWaalsContact C-N 3.34Å; L187-Y189 PolarHBondContact O-N 3.33Å; L187-L191 VanDerWaalsContact O-CB 3.28Å; L187-L191 WeakPolarHBondContact O-CB 3.35Å; L187-L191 PolarHBondContact O-N 3.33Å
188S96Very high95.5Very high49 Ų4950.3 Ų50.334%0.34324%0.236SC..Hα-helixtrans-64.9-35.6175.2-60.40000112.8Q184 E185 S186 R192Q184-S188 VanDerWaalsContact O-CB 3.3Å; Q184-S188 WeakPolarHBondContact O-CB 3.36Å; Q184-S188 PolarHBondContact O-N 3.01Å; Q184-S188 VanDerWaalsContact O-N 3.16Å; Q184-S188 PolarHBondContact O-OG 3.31Å; E185-S188 PolarHBondContact O-N 3.02Å; S186-S188 VanDerWaalsContact C-N 3.27Å; S186-S188 PolarHBondContact O-N 3.3Å; S188-R192 VanDerWaalsContact O-CB 3.26Å; S188-R192 WeakPolarHBondContact O-CB 3.25Å; S188-R192 PolarHBondContact O-N 3.02Å; S188-R192 VanDerWaalsContact O-N 3.11Å
189Y96.7Very high95.5Very high5 Ų552.1 Ų52.12%0.0224%0.241CC..Hα-helixtrans-71.7-47177.9-178.1-136000111.6L30 E34 V135 N138 K139 F142 E185 S186 L187 L191 R192 I193L30-Y189 HydrophobicContact CD1-CD1 4.3Å; L30-Y189 HydrophobicContact CD1-CE1 3.97Å; L30-Y189 HydrophobicContact CD2-CE1 4.21Å; L30-Y189 HydrophobicContact CG-CE1 4.4Å; E34-Y189 VanDerWaalsContact CD-OH 3.23Å; E34-Y189 WeakPolarHBondContact CG-OH 3.38Å; E34-Y189 WeakPolarHBondContact OE1-CE1 3.2Å; E34-Y189 PolarHBondContact OE1-OH 3.49Å; V135-Y189 HydrophobicContact CG1-CD2 4.39Å; V135-Y189 HydrophobicContact CG1-CE2 3.65Å; V135-Y189 WeakPolarHBondContact O-CE2 3.42Å; N138-Y189 HydrophobicContact CB-CD2 3.68Å; N138-Y189 HydrophobicContact CB-CE2 4.35Å; K139-Y189 HydrophobicContact CB-CE1 4.36Å; K139-Y189 HydrophobicContact CB-CE2 3.68Å; K139-Y189 WeakPolarHBondContact CB-OH 3.31Å; K139-Y189 WeakPolarHBondContact CD-OH 3.21Å; K139-Y189 HydrophobicContact CG-CE1 4.09Å; K139-Y189 HydrophobicContact CG-CE2 4.27Å; K139-Y189 VanDerWaalsContact CG-OH 3.28Å; K139-Y189 WeakPolarHBondContact CG-OH 3.35Å; F142-Y189 HydrophobicContact CB-CD1 3.98Å; F142-Y189 HydrophobicContact CB-CG 4.16Å; F142-Y189 AromaticContact CD1-CD1 3.48Å; F142-Y189 HydrophobicContact CD1-CD1 3.48Å; F142-Y189 VanDerWaalsContact CD1-CD1 3.48Å; F142-Y189 AromaticContact CD1-CE1 3.65Å; F142-Y189 HydrophobicContact CD1-CE1 3.65Å; F142-Y189 HydrophobicContact CD1-CG 4.46Å; F142-Y189 HydrophobicContact CD2-CD1 4.25Å; F142-Y189 AromaticContact CE1-CD1 3.89Å; F142-Y189 HydrophobicContact CE1-CD1 3.89Å; F142-Y189 AromaticContact CE1-CE1 3.92Å; F142-Y189 HydrophobicContact CE1-CE1 3.92Å; F142-Y189 AromaticContact CG-CD1 3.66Å; F142-Y189 HydrophobicContact CG-CD1 3.66Å; F142-Y189 HydrophobicContact CG-CE1 4.29Å; F142-Y189 HydrophobicContact CG-CG 4.3Å; F142-Y189 HydrophobicContact CZ-CD1 4.4Å; E185-Y189 VanDerWaalsContact O-CB 3.28Å; E185-Y189 WeakPolarHBondContact O-CB 3.46Å; E185-Y189 PolarHBondContact O-N 3.18Å; S186-Y189 PolarHBondContact O-N 3.4Å; S186-Y189 VanDerWaalsContact O-N 3.1Å; L187-Y189 VanDerWaalsContact C-N 3.34Å; L187-Y189 PolarHBondContact O-N 3.33Å; Y189-L191 PolarHBondContact O-N 2.88Å; Y189-R192 PolarHBondContact O-N 3.07Å; Y189-I193 HydrophobicContact CD1-CD1 4.35Å; Y189-I193 HydrophobicContact CD2-CD1 4.27Å; Y189-I193 HydrophobicContact CD2-CG1 4.38Å; Y189-I193 HydrophobicContact CE1-CD1 3.96Å; Y189-I193 HydrophobicContact CE2-CD1 3.9Å; Y189-I193 HydrophobicContact CE2-CG1 4.1Å; Y189-I193 HydrophobicContact CG-CD1 4.49Å; Y189-I193 WeakPolarHBondContact O-CG1 3.48Å; Y189-I193 PolarHBondContact O-N 2.64Å
190V95.9Very high95.5Very high1 Ų149.8 Ų49.81%0.00623%0.231CC..Hα-helixtrans-58.3-46.4174.7163.20000112L14 F16 C19 F26 S186 R192 I193 Q194L14-V190 HydrophobicContact CB-CG1 3.59Å; L14-V190 HydrophobicContact CB-CG2 4.42Å; L14-V190 VanDerWaalsContact O-CG1 3.26Å; L14-V190 WeakPolarHBondContact O-CG1 3.19Å; F16-V190 HydrophobicContact CD1-CG1 3.9Å; F16-V190 HydrophobicContact CE1-CB 4.32Å; F16-V190 HydrophobicContact CE1-CG1 3.75Å; C19-V190 HydrophobicContact CB-CG2 4.22Å; F26-V190 HydrophobicContact CE2-CG2 3.75Å; F26-V190 HydrophobicContact CZ-CG2 3.61Å; S186-V190 PolarHBondContact O-N 2.75Å; V190-R192 VanDerWaalsContact C-N 3.32Å; V190-R192 PolarHBondContact O-N 3.29Å; V190-I193 PolarHBondContact O-N 3.32Å; V190-Q194 PolarHBondContact O-N 2.85Å; V190-Q194 PolarHBondContact O-NE2 3.03Å
191L95.3Very high95.4Very high100 Ų10047.7 Ų47.752%0.52423%0.227SC..Hα-helixtrans-59.3-44.3175.2176.960.6000111.2F16 L187 Y189 Q194 E195F16-L191 HydrophobicContact CE1-CB 4.32Å; F16-L191 HydrophobicContact CZ-CB 4.23Å; F16-L191 HydrophobicContact CZ-CD1 4.42Å; L187-L191 VanDerWaalsContact O-CB 3.28Å; L187-L191 WeakPolarHBondContact O-CB 3.35Å; L187-L191 PolarHBondContact O-N 3.33Å; Y189-L191 PolarHBondContact O-N 2.88Å; L191-Q194 PolarHBondContact O-N 2.93Å; L191-E195 WeakPolarHBondContact O-CB 3.37Å; L191-E195 PolarHBondContact O-N 3.36Å
192R95.7Very high95.4Very high40 Ų4050.1 Ų50.115%0.15124%0.237CC..Hα-helixtrans-71.1-30.5-176.9-175.355.7-178.6168.95.9113.4K130 Q131 V135 S188 Y189 V190 E195 V196K130-R192 PolarHBondContact O-NH2 2.96Å; Q131-R192 PolarHBondContact O-NH2 2.87Å; V135-R192 HydrophobicContact CG2-CG 4.32Å; S188-R192 VanDerWaalsContact O-CB 3.26Å; S188-R192 WeakPolarHBondContact O-CB 3.25Å; S188-R192 PolarHBondContact O-N 3.02Å; S188-R192 VanDerWaalsContact O-N 3.11Å; Y189-R192 PolarHBondContact O-N 3.07Å; V190-R192 VanDerWaalsContact C-N 3.32Å; V190-R192 PolarHBondContact O-N 3.29Å; R192-E195 VanDerWaalsContact CD-OE2 3.25Å; R192-E195 WeakPolarHBondContact CD-OE2 3.32Å; R192-E195 IonicContact CZ-OE2 2.67Å; R192-E195 IonicContact NE-OE2 3.24Å; R192-E195 IonicContact NH1-OE1 3.8Å; R192-E195 PolarHBondContact NH1-OE1 2.95Å; R192-E195 VanDerWaalsContact NH1-OE1 3.09Å; R192-E195 IonicContact NH1-OE2 2.66Å; R192-E195 PolarHBondContact NH1-OE2 3.47Å; R192-V196 WeakPolarHBondContact O-CG2 3.46Å; R192-V196 PolarHBondContact O-N 3.37Å
193I96.2Very high95.3Very high1 Ų151.8 Ų51.81%0.00525%0.245CC..Hα-helixtrans-62-52.1170-74170000110.1L14 L30 H33 V135 Y189 V190 E195 V196 Q197L14-I193 HydrophobicContact CD1-CB 4.31Å; L14-I193 HydrophobicContact CD1-CD1 4.22Å; L14-I193 HydrophobicContact CD1-CG2 3.87Å; L30-I193 HydrophobicContact CD1-CD1 3.43Å; L30-I193 VanDerWaalsContact CD1-CD1 3.43Å; H33-I193 HydrophobicContact CB-CG2 3.94Å; V135-I193 HydrophobicContact CG1-CG1 3.75Å; Y189-I193 HydrophobicContact CD1-CD1 4.35Å; Y189-I193 HydrophobicContact CD2-CD1 4.27Å; Y189-I193 HydrophobicContact CD2-CG1 4.38Å; Y189-I193 HydrophobicContact CE1-CD1 3.96Å; Y189-I193 HydrophobicContact CE2-CD1 3.9Å; Y189-I193 HydrophobicContact CE2-CG1 4.1Å; Y189-I193 HydrophobicContact CG-CD1 4.49Å; Y189-I193 WeakPolarHBondContact O-CG1 3.48Å; Y189-I193 PolarHBondContact O-N 2.64Å; V190-I193 PolarHBondContact O-N 3.32Å; I193-E195 PolarHBondContact O-N 3.42Å; I193-V196 PolarHBondContact O-N 3.12Å; I193-Q197 PolarHBondContact O-N 3.44Å
194Q94.3Very high95.3Very high53 Ų5350.8 Ų50.825%0.24824%0.239CC..Hα-helixtrans-65.9-39.9-176.8-66.6-178.3101.300111.5L14 V190 L191 V196 Q197 E198L14-Q194 HydrophobicContact CB-CG 4.49Å; L14-Q194 PolarHBondContact O-NE2 3.21Å; V190-Q194 PolarHBondContact O-N 2.85Å; V190-Q194 PolarHBondContact O-NE2 3.03Å; L191-Q194 PolarHBondContact O-N 2.93Å; Q194-V196 VanDerWaalsContact C-N 3.33Å; Q194-V196 PolarHBondContact O-N 3.48Å; Q194-Q197 PolarHBondContact O-N 2.98Å; Q194-E198 PolarHBondContact O-N 3.03Å
195E94.9Very high95.3Very high64 Ų6448 Ų4830%0.29923%0.231SC..Hα-helixtrans-57.5-43.1173.6-165.8-152.6156.200112.3L191 R192 I193 E198 R199L191-E195 WeakPolarHBondContact O-CB 3.37Å; L191-E195 PolarHBondContact O-N 3.36Å; R192-E195 VanDerWaalsContact CD-OE2 3.25Å; R192-E195 WeakPolarHBondContact CD-OE2 3.32Å; R192-E195 IonicContact CZ-OE2 2.67Å; R192-E195 IonicContact NE-OE2 3.24Å; R192-E195 IonicContact NH1-OE1 3.8Å; R192-E195 PolarHBondContact NH1-OE1 2.95Å; R192-E195 VanDerWaalsContact NH1-OE1 3.09Å; R192-E195 IonicContact NH1-OE2 2.66Å; R192-E195 PolarHBondContact NH1-OE2 3.47Å; I193-E195 PolarHBondContact O-N 3.42Å; E195-E198 PolarHBondContact O-N 3.24Å; E195-R199 WeakPolarHBondContact O-CG 3.36Å; E195-R199 PolarHBondContact O-N 3.49Å; E195-R199 IonicContact OE1-CZ 2.69Å; E195-R199 IonicContact OE1-NE 3.98Å; E195-R199 PolarHBondContact OE1-NE 3.07Å; E195-R199 IonicContact OE1-NH2 3.62Å; E195-R199 PolarHBondContact OE1-NH2 3.27Å
196V95.9Very high95.2Very high0 Ų051.8 Ų51.80%025%0.249CC..Hα-helixtrans-71.5-32.7179.4172.10000111.7L37 Q131 I132 V135 R192 I193 Q194 R199 I200L37-V196 HydrophobicContact CD1-CG1 3.87Å; Q131-V196 HydrophobicContact CB-CG1 4.38Å; Q131-V196 HydrophobicContact CB-CG2 4.26Å; I132-V196 HydrophobicContact CG1-CG1 4.01Å; V135-V196 HydrophobicContact CG2-CB 4.13Å; V135-V196 HydrophobicContact CG2-CG1 4.36Å; V135-V196 HydrophobicContact CG2-CG2 3.72Å; R192-V196 WeakPolarHBondContact O-CG2 3.46Å; R192-V196 PolarHBondContact O-N 3.37Å; I193-V196 PolarHBondContact O-N 3.12Å; Q194-V196 VanDerWaalsContact C-N 3.33Å; Q194-V196 PolarHBondContact O-N 3.48Å; V196-R199 PolarHBondContact O-N 2.96Å; V196-I200 HydrophobicContact CG1-CD1 4.4Å; V196-I200 VanDerWaalsContact O-CG1 3.31Å; V196-I200 WeakPolarHBondContact O-CG1 3.43Å; V196-I200 PolarHBondContact O-N 3.28Å
197Q92.9Very high95.1Very high43 Ų4352.8 Ų52.820%0.20125%0.254CS..Hα-helixtrans-65.8-37.2172.6-73.8-178.5-4.800113.1H33 I193 Q194H33-Q197 PolarHBondContact CE1-OE1 3.1Å; H33-Q197 PolarHBondContact ND1-NE2 3.31Å; H33-Q197 PolarHBondContact ND1-OE1 3.43Å; I193-Q197 PolarHBondContact O-N 3.44Å; Q194-Q197 PolarHBondContact O-N 2.98Å
198E93.9Very high95Very high94 Ų9452.9 Ų52.944%0.43926%0.255SS..Hα-helixtrans-68.1-44.5170.9-64.9-50.4131.100111.7Q194 E195 I200 K201 F202Q194-E198 PolarHBondContact O-N 3.03Å; E195-E198 PolarHBondContact O-N 3.24Å; E198-I200 PolarHBondContact O-N 2.97Å; E198-K201 WeakPolarHBondContact O-CB 3.34Å; E198-K201 PolarHBondContact O-N 2.69Å; E198-K201 WeakPolarHBondContact OE1-CE 3.34Å; E198-K201 IonicContact OE1-NZ 2.75Å; E198-K201 PolarHBondContact OE1-NZ 2.69Å; E198-K201 WeakPolarHBondContact OE2-CD 3.44Å; E198-K201 WeakPolarHBondContact OE2-CE 3.04Å; E198-K201 IonicContact OE2-NZ 2.73Å; E198-K201 PolarHBondContact OE2-NZ 3.2Å; E198-F202 HydrophobicContact CB-CE1 4.35Å; E198-F202 WeakPolarHBondContact O-CD1 3.4Å; E198-F202 VanDerWaalsContact O-CE1 3.3Å; E198-F202 WeakPolarHBondContact O-CE1 3.32Å
199R96.1Very high95Very high67 Ų6755.7 Ų55.725%0.25327%0.265SS..Hα-helixtrans-58.3-31.9177.4-74.6177.3-178.2-79.3-4.1113.8F127 E195 V196 K201 F202 E203 F204F127-R199 HydrophobicContact CE2-CB 4.12Å; F127-R199 HydrophobicContact CZ-CB 4.43Å; E195-R199 WeakPolarHBondContact O-CG 3.36Å; E195-R199 PolarHBondContact O-N 3.49Å; E195-R199 IonicContact OE1-CZ 2.69Å; E195-R199 IonicContact OE1-NE 3.98Å; E195-R199 PolarHBondContact OE1-NE 3.07Å; E195-R199 IonicContact OE1-NH2 3.62Å; E195-R199 PolarHBondContact OE1-NH2 3.27Å; V196-R199 PolarHBondContact O-N 2.96Å; R199-K201 PolarHBondContact O-N 3.49Å; R199-F202 HydrophobicContact CB-CZ 4.34Å; R199-F202 HydrophobicContact CG-CE1 4.34Å; R199-F202 HydrophobicContact CG-CE2 4.39Å; R199-F202 HydrophobicContact CG-CZ 3.78Å; R199-F202 PolarHBondContact O-N 3.29Å; R199-E203 HydrophobicContact CB-CB 4.42Å; R199-E203 WeakPolarHBondContact CD-OE2 3.4Å; R199-E203 WeakPolarHBondContact CG-OE2 3.11Å; R199-E203 IonicContact CZ-OE2 2.64Å; R199-E203 IonicContact NE-OE2 3Å; R199-E203 IonicContact NH1-OE2 3.18Å; R199-E203 PolarHBondContact NH1-OE2 3.28Å; R199-E203 WeakPolarHBondContact O-CB 3.45Å; R199-E203 PolarHBondContact O-N 3.24Å; R199-F204 PolarHBondContact O-N 3.41Å
200I94.5Very high94.8Very high39 Ų3958 Ų5820%0.229%0.285CS..Hα-helixtrans-59.9-29.8173.8-71.7160.4000111.8L37 T40 F127 V196 E198L37-I200 HydrophobicContact CD1-CD1 4.48Å; T40-I200 HydrophobicContact CG2-CD1 3.94Å; F127-I200 HydrophobicContact CE1-CG1 3.97Å; F127-I200 HydrophobicContact CZ-CB 4.46Å; F127-I200 HydrophobicContact CZ-CG1 3.73Å; V196-I200 HydrophobicContact CG1-CD1 4.4Å; V196-I200 VanDerWaalsContact O-CG1 3.31Å; V196-I200 WeakPolarHBondContact O-CG1 3.43Å; V196-I200 PolarHBondContact O-N 3.28Å; E198-I200 PolarHBondContact O-N 2.97Å
201K93.7Very high94.6Very high127 Ų12759 Ų5955%0.55229%0.289SS*.Hα-helixtrans-78-28-176.5-54.3176.7-164.6168.40113.8E198 R199 V205E198-K201 WeakPolarHBondContact O-CB 3.34Å; E198-K201 PolarHBondContact O-N 2.69Å; E198-K201 WeakPolarHBondContact OE1-CE 3.34Å; E198-K201 IonicContact OE1-NZ 2.75Å; E198-K201 PolarHBondContact OE1-NZ 2.69Å; E198-K201 WeakPolarHBondContact OE2-CD 3.44Å; E198-K201 WeakPolarHBondContact OE2-CE 3.04Å; E198-K201 IonicContact OE2-NZ 2.73Å; E198-K201 PolarHBondContact OE2-NZ 3.2Å; R199-K201 PolarHBondContact O-N 3.49Å; K201-V205 WeakPolarHBondContact O-CG2 3.31Å
202F95.6Very high94.5Very high103 Ų10358.6 Ų58.645%0.45229%0.287SS..THydrogen-bonded Turntrans-116.5-65.8-179.561.5-89.3000112.1E198 R199 F204 V205 E206E198-F202 HydrophobicContact CB-CE1 4.35Å; E198-F202 WeakPolarHBondContact O-CD1 3.4Å; E198-F202 VanDerWaalsContact O-CE1 3.3Å; E198-F202 WeakPolarHBondContact O-CE1 3.32Å; R199-F202 HydrophobicContact CB-CZ 4.34Å; R199-F202 HydrophobicContact CG-CE1 4.34Å; R199-F202 HydrophobicContact CG-CE2 4.39Å; R199-F202 HydrophobicContact CG-CZ 3.78Å; R199-F202 PolarHBondContact O-N 3.29Å; F202-F204 VanDerWaalsContact C-N 3.35Å; F202-F204 PolarHBondContact O-N 3.38Å; F202-V205 CarbonylContact O-C 3.57Å; F202-V205 PolarHBondContact O-N 2.82Å; F202-E206 WeakPolarHBondContact O-CB 3.47Å; F202-E206 WeakPolarHBondContact O-CG 3.39Å; F202-E206 PolarHBondContact O-N 3.37Å
203E95Very high94.4Very high43 Ų4359.2 Ų59.220%0.20130%0.297CS..Hα-helixtrans-58.2-41.6-171.5-172.5-176.3146.800112.7F127 Q131 R199 I207F127-E203 HydrophobicContact CD2-CB 4.29Å; F127-E203 HydrophobicContact CD2-CG 3.87Å; F127-E203 WeakPolarHBondContact CD2-OE1 3.36Å; F127-E203 HydrophobicContact CE2-CB 3.95Å; F127-E203 HydrophobicContact CE2-CG 4Å; Q131-E203 PolarHBondContact NE2-OE1 2.67Å; Q131-E203 PolarHBondContact NE2-OE2 3.49Å; R199-E203 HydrophobicContact CB-CB 4.42Å; R199-E203 WeakPolarHBondContact CD-OE2 3.4Å; R199-E203 WeakPolarHBondContact CG-OE2 3.11Å; R199-E203 IonicContact CZ-OE2 2.64Å; R199-E203 IonicContact NE-OE2 3Å; R199-E203 IonicContact NH1-OE2 3.18Å; R199-E203 PolarHBondContact NH1-OE2 3.28Å; R199-E203 WeakPolarHBondContact O-CB 3.45Å; R199-E203 PolarHBondContact O-N 3.24Å; E203-I207 WeakPolarHBondContact O-CD1 3.44Å; E203-I207 VanDerWaalsContact O-CG1 3.31Å; E203-I207 WeakPolarHBondContact O-CG1 3.4Å
204F94.7Very high94.2Very high24 Ų2460.5 Ų60.511%0.10531%0.311CS..Hα-helixtrans-72.3-36.5174.6172.6-105.2000113.3I44 I47 L124 F127 R199 F202 L208I44-F204 HydrophobicContact CB-CE2 4.45Å; I44-F204 HydrophobicContact CD1-CD2 3.95Å; I44-F204 HydrophobicContact CD1-CE2 3.81Å; I44-F204 HydrophobicContact CD1-CG 4.48Å; I44-F204 HydrophobicContact CD1-CZ 4.22Å; I44-F204 HydrophobicContact CG1-CD2 4.33Å; I44-F204 HydrophobicContact CG1-CE2 3.66Å; I44-F204 HydrophobicContact CG1-CZ 3.84Å; I44-F204 HydrophobicContact CG2-CE2 4.09Å; I47-F204 HydrophobicContact CD1-CZ 4.05Å; L124-F204 HydrophobicContact CD2-CD2 3.96Å; L124-F204 HydrophobicContact CD2-CE2 3.72Å; F127-F204 HydrophobicContact CD1-CB 4.16Å; F127-F204 HydrophobicContact CD1-CD2 4.1Å; F127-F204 HydrophobicContact CD2-CB 4.38Å; F127-F204 HydrophobicContact CE1-CB 3.82Å; F127-F204 HydrophobicContact CE1-CD2 4.31Å; F127-F204 HydrophobicContact CE1-CG 4.31Å; F127-F204 HydrophobicContact CE2-CB 4.06Å; F127-F204 HydrophobicContact CG-CB 4.45Å; F127-F204 HydrophobicContact CZ-CB 3.77Å; R199-F204 PolarHBondContact O-N 3.41Å; F202-F204 VanDerWaalsContact C-N 3.35Å; F202-F204 PolarHBondContact O-N 3.38Å; F204-L208 HydrophobicContact CD1-CD1 4.41Å; F204-L208 HydrophobicContact CE1-CD1 3.69Å; F204-L208 HydrophobicContact CE2-CD1 4.35Å; F204-L208 HydrophobicContact CZ-CD1 3.66Å; F204-L208 HydrophobicContact CZ-CG 4.34Å; F204-L208 PolarHBondContact O-N 3.42Å
205V95.5Very high94.2Very high75 Ų7559.3 Ų59.346%0.45530%0.304SS..Hα-helixtrans-72.4-37-179.8175.80000111.2K201 F202 I207 L208 L209K201-V205 WeakPolarHBondContact O-CG2 3.31Å; F202-V205 CarbonylContact O-C 3.57Å; F202-V205 PolarHBondContact O-N 2.82Å; V205-I207 VanDerWaalsContact C-N 3.32Å; V205-I207 PolarHBondContact O-N 2.86Å; V205-L208 PolarHBondContact O-N 3.05Å; V205-L209 WeakPolarHBondContact O-CB 3.41Å; V205-L209 PolarHBondContact O-N 3.29Å
206E95Very high94.2Very high113 Ų11361.5 Ų61.553%0.52832%0.317SS..Hα-helixtrans-60.3-39.7174.9-75.5174.8155.600111.8F202 L209 A210F202-E206 WeakPolarHBondContact O-CB 3.47Å; F202-E206 WeakPolarHBondContact O-CG 3.39Å; F202-E206 PolarHBondContact O-N 3.37Å; E206-L209 PolarHBondContact O-N 2.92Å; E206-A210 WeakPolarHBondContact O-CB 3.27Å; E206-A210 PolarHBondContact O-N 2.94Å
207I94.1Very high94.1Very high21 Ų2165.8 Ų65.811%0.10834%0.343CS..Hα-helixtrans-63.9-44.3175.2-61.1160.3000110.7I120 L124 F127 E203 V205 A210 F211I120-I207 HydrophobicContact CD1-CG2 4.4Å; I120-I207 WeakPolarHBondContact CD1-O 3.25Å; I120-I207 HydrophobicContact CG2-CG2 4.02Å; L124-I207 HydrophobicContact CD2-CB 4.21Å; L124-I207 HydrophobicContact CD2-CG2 3.63Å; L124-I207 HydrophobicContact CG-CG2 3.68Å; F127-I207 HydrophobicContact CB-CD1 4.29Å; E203-I207 WeakPolarHBondContact O-CD1 3.44Å; E203-I207 VanDerWaalsContact O-CG1 3.31Å; E203-I207 WeakPolarHBondContact O-CG1 3.4Å; V205-I207 VanDerWaalsContact C-N 3.32Å; V205-I207 PolarHBondContact O-N 2.86Å; I207-A210 PolarHBondContact O-N 3.19Å; I207-F211 PolarHBondContact O-N 3.22Å; I207-F211 VanDerWaalsContact O-N 3.16Å
208L94.1Very high94.3Very high49 Ų4964.1 Ų64.126%0.25734%0.335SS..Hα-helixtrans-69.3-35.5176.9-65.4-178.3000112.6I47 L124 F204 V205 F211 I212I47-L208 HydrophobicContact CG2-CD2 4.27Å; L124-L208 HydrophobicContact CD1-CD2 4.44Å; L124-L208 HydrophobicContact CD2-CD2 4.15Å; F204-L208 HydrophobicContact CD1-CD1 4.41Å; F204-L208 HydrophobicContact CE1-CD1 3.69Å; F204-L208 HydrophobicContact CE2-CD1 4.35Å; F204-L208 HydrophobicContact CZ-CD1 3.66Å; F204-L208 HydrophobicContact CZ-CG 4.34Å; F204-L208 PolarHBondContact O-N 3.42Å; V205-L208 PolarHBondContact O-N 3.05Å; L208-F211 WeakPolarHBondContact O-CB 3.33Å; L208-F211 PolarHBondContact O-N 3.44Å; L208-I212 WeakPolarHBondContact O-CG1 3.37Å; L208-I212 PolarHBondContact O-N 3.43Å; L208-I212 VanDerWaalsContact O-N 3.1Å
209L94.1Very high94.4Very high108 Ų10866.1 Ų66.157%0.56534%0.34SS*.Hα-helixtrans-62-47.6174.5179.261.1000110.8V205 E206 F211 I212 S213V205-L209 WeakPolarHBondContact O-CB 3.41Å; V205-L209 PolarHBondContact O-N 3.29Å; E206-L209 PolarHBondContact O-N 2.92Å; L209-F211 VanDerWaalsContact C-N 3.3Å; L209-F211 PolarHBondContact O-N 3.15Å; L209-I212 PolarHBondContact O-N 3.04Å; L209-S213 WeakPolarHBondContact O-CB 3.21Å; L209-S213 PolarHBondContact O-N 3.08Å; L209-S213 PolarHBondContact O-OG 2.77Å; L209-S213 VanDerWaalsContact O-OG 3.12Å
210A92.6Very high94.4Very high53 Ų5368.3 Ų68.344%0.43835%0.353SS..Hα-helixtrans-59.4-39.2176.900000112.6I120 E206 I207 S213 G214I120-A210 HydrophobicContact CD1-CB 3.84Å; E206-A210 WeakPolarHBondContact O-CB 3.27Å; E206-A210 PolarHBondContact O-N 2.94Å; I207-A210 PolarHBondContact O-N 3.19Å; A210-S213 PolarHBondContact O-N 3.5Å; A210-G214 PolarHBondContact O-N 2.82Å
211F92.8Very high94.3Very high21 Ų2168.3 Ų68.39%0.09235%0.354CS..Hα-helixtrans-60.6-51.6174.1179.9-109.6000111.9V51 L54 I120 I207 L208 L209 S213 G214 W215V51-F211 HydrophobicContact CG1-CE2 4.02Å; V51-F211 HydrophobicContact CG1-CZ 4.21Å; V51-F211 HydrophobicContact CG2-CZ 4.41Å; L54-F211 HydrophobicContact CD2-CE1 4.48Å; L54-F211 HydrophobicContact CD2-CZ 3.98Å; I120-F211 HydrophobicContact CB-CD2 4.29Å; I120-F211 HydrophobicContact CD1-CB 4.03Å; I120-F211 HydrophobicContact CG1-CB 4.01Å; I120-F211 HydrophobicContact CG1-CD2 4.09Å; I120-F211 HydrophobicContact CG2-CB 3.82Å; I120-F211 HydrophobicContact CG2-CD2 3.88Å; I120-F211 HydrophobicContact CG2-CG 4.09Å; I207-F211 PolarHBondContact O-N 3.22Å; I207-F211 VanDerWaalsContact O-N 3.16Å; L208-F211 WeakPolarHBondContact O-CB 3.33Å; L208-F211 PolarHBondContact O-N 3.44Å; L209-F211 VanDerWaalsContact C-N 3.3Å; L209-F211 PolarHBondContact O-N 3.15Å; F211-S213 PolarHBondContact O-N 3.44Å; F211-G214 PolarHBondContact O-N 3.21Å; F211-W215 AromaticContact CD2-NE1 3.94Å; F211-W215 AromaticContact CE1-CD1 3.97Å; F211-W215 AromaticContact CE1-NE1 3.7Å; F211-W215 AromaticContact CE2-NE1 3.3Å; F211-W215 VanDerWaalsContact CE2-NE1 3.3Å; F211-W215 AromaticContact CZ-CD1 3.88Å; F211-W215 AromaticContact CZ-NE1 3.16Å; F211-W215 VanDerWaalsContact O-CD1 3.29Å; F211-W215 PolarHBondContact O-N 3.03Å
212I93.5Very high94.4Very high93 Ų9363.2 Ų63.248%0.47734%0.336SS..Hα-helixtrans-63.2-41179.2-63.4-61.7000111.4L208 L209 G214 W215 L216L208-I212 WeakPolarHBondContact O-CG1 3.37Å; L208-I212 PolarHBondContact O-N 3.43Å; L208-I212 VanDerWaalsContact O-N 3.1Å; L209-I212 PolarHBondContact O-N 3.04Å; I212-G214 VanDerWaalsContact C-N 3.32Å; I212-G214 PolarHBondContact O-N 3.5Å; I212-W215 PolarHBondContact O-N 2.97Å; I212-L216 HydrophobicContact CG2-CD1 3.98Å; I212-L216 HydrophobicContact CG2-CG 4.37Å; I212-L216 WeakPolarHBondContact O-CG 3.16Å; I212-L216 PolarHBondContact O-N 3.24Å
213S93Very high94.4Very high53 Ų5363.7 Ų63.737%0.37134%0.34SS..Hα-helixtrans-59.4-40.1174.5-64.70000112.6L209 A210 F211 W215 L216 V217L209-S213 WeakPolarHBondContact O-CB 3.21Å; L209-S213 PolarHBondContact O-N 3.08Å; L209-S213 PolarHBondContact O-OG 2.77Å; L209-S213 VanDerWaalsContact O-OG 3.12Å; A210-S213 PolarHBondContact O-N 3.5Å; F211-S213 PolarHBondContact O-N 3.44Å; S213-W215 PolarHBondContact O-N 2.98Å; S213-L216 PolarHBondContact O-N 3.11Å; S213-V217 WeakPolarHBondContact O-CG2 3.5Å; S213-V217 PolarHBondContact O-N 3.04Å
214G92.7Very high94.4Very high28 Ų2866.2 Ų66.229%0.28935%0.351SS..Hα-helixtrans-60.1-43.7176.200000113.2M112 A210 F211 I212 F218M112-G214 WeakPolarHBondContact CG-O 3.35Å; A210-G214 PolarHBondContact O-N 2.82Å; F211-G214 PolarHBondContact O-N 3.21Å; I212-G214 VanDerWaalsContact C-N 3.32Å; I212-G214 PolarHBondContact O-N 3.5Å; G214-F218 PolarHBondContact O-N 3.5Å; G214-F218 VanDerWaalsContact O-N 3.12Å
215W93.4Very high94.3Very high28 Ų2867.2 Ų67.211%0.10636%0.356CS..Hα-helixtrans-65.9-41.9174.8-75.599.7000112.7L54 A58 M112 L113 F211 I212 S213 V217 F218 Y219L54-W215 HydrophobicContact CD2-CZ2 4.43Å; L54-W215 HydrophobicContact CG-CZ2 4.33Å; A58-W215 HydrophobicContact CB-CH2 3.96Å; M112-W215 HydrophobicContact CE-CD2 3.85Å; M112-W215 HydrophobicContact CE-CE3 3.6Å; M112-W215 HydrophobicContact CE-CH2 3.72Å; M112-W215 HydrophobicContact CE-CZ2 3.94Å; M112-W215 HydrophobicContact CE-CZ3 3.54Å; M112-W215 HydrophobicContact SD-CD2 4.1Å; M112-W215 HydrophobicContact SD-CE3 4.45Å; M112-W215 HydrophobicContact SD-CZ2 4.31Å; L113-W215 HydrophobicContact CD2-CH2 4.49Å; L113-W215 HydrophobicContact CD2-CZ2 4.42Å; F211-W215 AromaticContact CD2-NE1 3.94Å; F211-W215 AromaticContact CE1-CD1 3.97Å; F211-W215 AromaticContact CE1-NE1 3.7Å; F211-W215 AromaticContact CE2-NE1 3.3Å; F211-W215 VanDerWaalsContact CE2-NE1 3.3Å; F211-W215 AromaticContact CZ-CD1 3.88Å; F211-W215 AromaticContact CZ-NE1 3.16Å; F211-W215 VanDerWaalsContact O-CD1 3.29Å; F211-W215 PolarHBondContact O-N 3.03Å; I212-W215 PolarHBondContact O-N 2.97Å; S213-W215 PolarHBondContact O-N 2.98Å; W215-V217 VanDerWaalsContact C-N 3.35Å; W215-V217 PolarHBondContact O-N 3.36Å; W215-F218 HydrophobicContact CE3-CD1 4.32Å; W215-F218 PolarHBondContact O-N 3.09Å; W215-Y219 HydrophobicContact CB-CE2 4.21Å; W215-Y219 HydrophobicContact CE3-CE2 4.2Å; W215-Y219 WeakPolarHBondContact O-CD2 3.12Å; W215-Y219 PolarHBondContact O-N 3.3Å
216L95.3Very high94.1Very high109 Ų10966 Ų6657%0.57135%0.354SS*.Hα-helixtrans-64.2-38.2178.5-69.7173.1000112.4I212 S213 Y219 H220I212-L216 HydrophobicContact CG2-CD1 3.98Å; I212-L216 HydrophobicContact CG2-CG 4.37Å; I212-L216 WeakPolarHBondContact O-CG 3.16Å; I212-L216 PolarHBondContact O-N 3.24Å; S213-L216 PolarHBondContact O-N 3.11Å; L216-Y219 PolarHBondContact O-N 3.05Å; L216-H220 PolarHBondContact O-N 3.41Å
217V94.5Very high94.1Very high90 Ų9064.5 Ų64.555%0.54535%0.347SS..Hα-helixtrans-63.9-45.5173.2170.80000110.8S213 W215 Y219 H220 T221S213-V217 WeakPolarHBondContact O-CG2 3.5Å; S213-V217 PolarHBondContact O-N 3.04Å; W215-V217 VanDerWaalsContact C-N 3.35Å; W215-V217 PolarHBondContact O-N 3.36Å; V217-Y219 PolarHBondContact O-N 2.94Å; V217-H220 PolarHBondContact O-N 3.37Å; V217-T221 PolarHBondContact O-N 3.46Å; V217-T221 PolarHBondContact O-OG1 3.1Å; V217-T221 VanDerWaalsContact O-OG1 3.08Å
218F95.4Very high94.1Very high8 Ų868.2 Ų68.24%0.03537%0.367CS..Hα-helixtrans-57.1-47.2174.7164.6-104.4000112.4I105 E108 R109 M112 G214 W215 H220 T221 A222I105-F218 HydrophobicContact CG2-CE2 4.34Å; I105-F218 HydrophobicContact CG2-CZ 4.46Å; E108-F218 HydrophobicContact CB-CD2 4.43Å; R109-F218 HydrophobicContact CB-CD2 4.11Å; R109-F218 HydrophobicContact CB-CE2 3.53Å; R109-F218 HydrophobicContact CB-CZ 3.98Å; R109-F218 HydrophobicContact CG-CD2 4.38Å; R109-F218 HydrophobicContact CG-CE1 4.4Å; R109-F218 HydrophobicContact CG-CE2 3.88Å; R109-F218 HydrophobicContact CG-CZ 3.89Å; M112-F218 HydrophobicContact CB-CB 4.32Å; M112-F218 HydrophobicContact CE-CB 4.43Å; M112-F218 HydrophobicContact CE-CD1 4.4Å; M112-F218 HydrophobicContact CE-CG 4.3Å; M112-F218 HydrophobicContact CG-CB 4.11Å; G214-F218 PolarHBondContact O-N 3.5Å; G214-F218 VanDerWaalsContact O-N 3.12Å; W215-F218 HydrophobicContact CE3-CD1 4.32Å; W215-F218 PolarHBondContact O-N 3.09Å; F218-H220 PolarHBondContact O-N 2.96Å; F218-T221 PolarHBondContact O-N 3.25Å; F218-A222 WeakPolarHBondContact O-CB 3.38Å; F218-A222 PolarHBondContact O-N 2.9Å
219Y96.2Very high94.1Very high136 Ų13668.3 Ų68.353%0.53337%0.366SS..Hα-helixtrans-63.9-37.8178.2-70.1-57000112.8W215 L216 V217 H223W215-Y219 HydrophobicContact CB-CE2 4.21Å; W215-Y219 HydrophobicContact CE3-CE2 4.2Å; W215-Y219 WeakPolarHBondContact O-CD2 3.12Å; W215-Y219 PolarHBondContact O-N 3.3Å; L216-Y219 PolarHBondContact O-N 3.05Å; V217-Y219 PolarHBondContact O-N 2.94Å; Y219-H223 PolarHBondContact O-N 3.33Å
220H96.3Very high94.2Very high114 Ų11470.1 Ų70.153%0.52837%0.365SS..Hα-helixtrans-62.4-50.4174.2-172.3-76.6000111.6L216 V217 F218 A222 H223 E224L216-H220 PolarHBondContact O-N 3.41Å; V217-H220 PolarHBondContact O-N 3.37Å; F218-H220 PolarHBondContact O-N 2.96Å; H220-A222 VanDerWaalsContact C-N 3.33Å; H220-A222 PolarHBondContact O-N 3.2Å; H220-H223 WeakPolarHBondContact O-CB 3.29Å; H220-H223 PolarHBondContact O-N 3.14Å; H220-H223 VanDerWaalsContact O-N 3.09Å; H220-E224 IonicContact CE1-OE1 2.77Å; H220-E224 PolarHBondContact CE1-OE1 2.93Å; H220-E224 IonicContact CE1-OE2 3.82Å; H220-E224 PolarHBondContact CE1-OE2 2.79Å; H220-E224 VanDerWaalsContact CE1-OE2 3.3Å; H220-E224 VanDerWaalsContact ND1-CD 3.29Å; H220-E224 IonicContact ND1-OE1 2.77Å; H220-E224 IonicContact ND1-OE2 3.68Å; H220-E224 PolarHBondContact ND1-OE2 2.86Å; H220-E224 PolarHBondContact O-N 2.61Å
221T93.8Very high94.3Very high38 Ų3872.5 Ų72.523%0.23337%0.371CS..Hα-helixtrans-65.4-36.3-178.6-51.90000111.9E108 V217 F218 H223 E224 Q225E108-T221 HydrophobicContact CG-CG2 3.97Å; V217-T221 PolarHBondContact O-N 3.46Å; V217-T221 PolarHBondContact O-OG1 3.1Å; V217-T221 VanDerWaalsContact O-OG1 3.08Å; F218-T221 PolarHBondContact O-N 3.25Å; T221-H223 VanDerWaalsContact C-N 3.34Å; T221-H223 PolarHBondContact O-N 3Å; T221-E224 PolarHBondContact O-N 3.43Å; T221-Q225 WeakPolarHBondContact O-CG 3.25Å; T221-Q225 PolarHBondContact O-N 3.44Å
222A95.1Very high94.4Very high21 Ų2174 Ų7417%0.17438%0.376CS..Hα-helixtrans-64.8-35.3172.400000112.7I105 F218 H220 A226I105-A222 HydrophobicContact CG2-CB 4.13Å; F218-A222 WeakPolarHBondContact O-CB 3.38Å; F218-A222 PolarHBondContact O-N 2.9Å; H220-A222 VanDerWaalsContact C-N 3.33Å; H220-A222 PolarHBondContact O-N 3.2Å; A222-A226 PolarHBondContact O-N 2.88Å; A222-A226 VanDerWaalsContact O-N 3.11Å
223H96Very high94.5Very high113 Ų11373.3 Ų73.352%0.52337%0.373SS..Hα-helixtrans-69.2-40.6173.4-177.29.6000112.2Y219 H220 T221 Q225 A226 E227Y219-H223 PolarHBondContact O-N 3.33Å; H220-H223 WeakPolarHBondContact O-CB 3.29Å; H220-H223 PolarHBondContact O-N 3.14Å; H220-H223 VanDerWaalsContact O-N 3.09Å; T221-H223 VanDerWaalsContact C-N 3.34Å; T221-H223 PolarHBondContact O-N 3Å; H223-Q225 PolarHBondContact O-N 2.6Å; H223-A226 WeakPolarHBondContact O-CB 3.42Å; H223-A226 PolarHBondContact O-N 2.85Å; H223-A226 VanDerWaalsContact O-N 3.09Å; H223-E227 IonicContact CE1-OE1 3.39Å; H223-E227 PolarHBondContact O-N 3.11Å
224E95Very high94.6Very high96 Ų9675 Ų7545%0.44938%0.375SS..Hα-helixtrans-60.3-43.7174.6-72.5176.7119.900111.4H220 T221 A226 E227 D228H220-E224 IonicContact CE1-OE1 2.77Å; H220-E224 PolarHBondContact CE1-OE1 2.93Å; H220-E224 IonicContact CE1-OE2 3.82Å; H220-E224 PolarHBondContact CE1-OE2 2.79Å; H220-E224 VanDerWaalsContact CE1-OE2 3.3Å; H220-E224 VanDerWaalsContact ND1-CD 3.29Å; H220-E224 IonicContact ND1-OE1 2.77Å; H220-E224 IonicContact ND1-OE2 3.68Å; H220-E224 PolarHBondContact ND1-OE2 2.86Å; H220-E224 PolarHBondContact O-N 2.61Å; T221-E224 PolarHBondContact O-N 3.43Å; E224-A226 VanDerWaalsContact C-N 3.31Å; E224-A226 PolarHBondContact O-N 2.79Å; E224-E227 PolarHBondContact O-N 3.06Å; E224-D228 WeakPolarHBondContact O-CB 3.49Å; E224-D228 PolarHBondContact O-N 3.05Å
225Q92.1Very high94.7Very high45 Ų4575.9 Ų75.921%0.2137%0.373CS..Hα-helixtrans-59.8-38.4171.9-68.1-62.6-86.600112.5N104 I105 T221 H223 H229N104-Q225 PolarHBondContact ND2-OE1 2.79Å; I105-Q225 HydrophobicContact CD1-CB 4.35Å; I105-Q225 HydrophobicContact CG1-CB 4.02Å; I105-Q225 HydrophobicContact CG1-CG 4.26Å; T221-Q225 WeakPolarHBondContact O-CG 3.25Å; T221-Q225 PolarHBondContact O-N 3.44Å; H223-Q225 PolarHBondContact O-N 2.6Å; Q225-H229 PolarHBondContact O-CD2 3.39Å; Q225-H229 PolarHBondContact O-N 2.79Å
226A91.7Very high94.9Very high48 Ų4875 Ų7540%0.39737%0.37SS..Hα-helixtrans-67.2-41.2178.800000112.8A222 H223 E224 H229 R230A222-A226 PolarHBondContact O-N 2.88Å; A222-A226 VanDerWaalsContact O-N 3.11Å; H223-A226 WeakPolarHBondContact O-CB 3.42Å; H223-A226 PolarHBondContact O-N 2.85Å; H223-A226 VanDerWaalsContact O-N 3.09Å; E224-A226 VanDerWaalsContact C-N 3.31Å; E224-A226 PolarHBondContact O-N 2.79Å; A226-H229 PolarHBondContact O-N 2.77Å; A226-R230 PolarHBondContact O-N 2.82Å; A226-R230 VanDerWaalsContact O-N 3.15Å
227E94.9Very high94.9Very high83 Ų8378.1 Ų78.139%0.38838%0.375SS..Hα-helixtrans-71.3-40.2177-72.3-63.2128.400112.4H223 E224 H229 R230H223-E227 IonicContact CE1-OE1 3.39Å; H223-E227 PolarHBondContact O-N 3.11Å; E224-E227 PolarHBondContact O-N 3.06Å; E227-H229 PolarHBondContact O-N 2.76Å; E227-H229 VanDerWaalsContact O-N 3.12Å; E227-R230 VanDerWaalsContact O-CB 3.24Å; E227-R230 WeakPolarHBondContact O-CB 3.25Å; E227-R230 PolarHBondContact O-N 3Å; E227-R230 VanDerWaalsContact O-N 3.08Å; E227-R230 IonicContact OE1-NH1 3.31Å; E227-R230 PolarHBondContact OE1-NH1 2.89Å; E227-R230 WeakPolarHBondContact OE2-CD 3.3Å; E227-R230 IonicContact OE2-CZ 2.67Å; E227-R230 IonicContact OE2-NE 3.53Å; E227-R230 IonicContact OE2-NH1 2.78Å; E227-R230 PolarHBondContact OE2-NH1 2.91Å
228D94.3Very high94.8Very high99 Ų9979.3 Ų79.353%0.52937%0.374SS..Hα-helixtrans-62.3-19.3176.1-84.2-11.8000113E224E224-D228 WeakPolarHBondContact O-CB 3.49Å; E224-D228 PolarHBondContact O-N 3.05Å
229H94.1Very high94.7Very high51 Ų5180.7 Ų80.724%0.23638%0.38CS..THydrogen-bonded Turntrans-105.3-2175.7-66.8-51.1000114.9I101 Q225 A226 E227 D231 Y232 L233I101-H229 HydrophobicContact CD1-CB 3.96Å; Q225-H229 PolarHBondContact O-CD2 3.39Å; Q225-H229 PolarHBondContact O-N 2.79Å; A226-H229 PolarHBondContact O-N 2.77Å; E227-H229 PolarHBondContact O-N 2.76Å; E227-H229 VanDerWaalsContact O-N 3.12Å; H229-D231 PolarHBondContact O-N 3.1Å; H229-Y232 PolarHBondContact O-N 2.95Å; H229-L233 WeakPolarHBondContact O-CG 3.17Å; H229-L233 PolarHBondContact O-N 2.83Å
230R95.1Very high94.7Very high145 Ų14577.1 Ų77.155%0.54737%0.372SS..Hα-helixtrans-57.7-47.4-176.1-179.9174.6173.3171.5-0113.6A226 E227 Y232 L233 Q234A226-R230 PolarHBondContact O-N 2.82Å; A226-R230 VanDerWaalsContact O-N 3.15Å; E227-R230 VanDerWaalsContact O-CB 3.24Å; E227-R230 WeakPolarHBondContact O-CB 3.25Å; E227-R230 PolarHBondContact O-N 3Å; E227-R230 VanDerWaalsContact O-N 3.08Å; E227-R230 IonicContact OE1-NH1 3.31Å; E227-R230 PolarHBondContact OE1-NH1 2.89Å; E227-R230 WeakPolarHBondContact OE2-CD 3.3Å; E227-R230 IonicContact OE2-CZ 2.67Å; E227-R230 IonicContact OE2-NE 3.53Å; E227-R230 IonicContact OE2-NH1 2.78Å; E227-R230 PolarHBondContact OE2-NH1 2.91Å; R230-Y232 VanDerWaalsContact C-N 3.33Å; R230-Y232 PolarHBondContact O-N 3.49Å; R230-L233 PolarHBondContact O-N 3.34Å; R230-Q234 WeakPolarHBondContact O-CB 3.49Å; R230-Q234 PolarHBondContact O-N 3.3Å
231D94.6Very high94.5Very high104 Ų10475.2 Ų75.256%0.55636%0.363SS*.Hα-helixtrans-64.3-37.4179.4-75-19.7000112.1H229 Q234 D235H229-D231 PolarHBondContact O-N 3.1Å; D231-Q234 PolarHBondContact O-N 3.26Å; D231-D235 WeakPolarHBondContact O-CB 3.49Å; D231-D235 PolarHBondContact O-N 3.03Å
232Y96.1Very high94.2Very high53 Ų5375.9 Ų75.921%0.20836%0.363CS..Hα-helixtrans-65.9-45.7176.1167.4-103.6000111.8S94 R97 F98 H229 R230 Q234 D235 L236S94-Y232 WeakPolarHBondContact CA-OH 3.36Å; S94-Y232 WeakPolarHBondContact CB-OH 3.49Å; R97-Y232 HydrophobicContact CB-CE1 3.77Å; R97-Y232 HydrophobicContact CG-CE1 4.27Å; R97-Y232 HydrophobicContact CG-CE2 4.44Å; R97-Y232 WeakPolarHBondContact CG-OH 3.42Å; F98-Y232 HydrophobicContact CE1-CE1 4.33Å; H229-Y232 PolarHBondContact O-N 2.95Å; R230-Y232 VanDerWaalsContact C-N 3.33Å; R230-Y232 PolarHBondContact O-N 3.49Å; Y232-Q234 VanDerWaalsContact C-N 3.26Å; Y232-Q234 PolarHBondContact O-N 3.07Å; Y232-D235 PolarHBondContact O-N 3.16Å; Y232-L236 HydrophobicContact CE1-CD2 4.36Å; Y232-L236 VanDerWaalsContact O-CB 3.29Å; Y232-L236 WeakPolarHBondContact O-CB 3.5Å; Y232-L236 PolarHBondContact O-N 3.18Å
233L95.5Very high93.9Very high77 Ų7776.3 Ų76.340%0.40336%0.364SS..Hα-helixtrans-62.6-35.5176.9-66.9173.7000111.7F98 H229 R230 R237F98-L233 HydrophobicContact CD1-CD2 4.32Å; F98-L233 HydrophobicContact CE1-CD2 3.73Å; H229-L233 WeakPolarHBondContact O-CG 3.17Å; H229-L233 PolarHBondContact O-N 2.83Å; R230-L233 PolarHBondContact O-N 3.34Å; L233-R237 PolarHBondContact O-N 3.46Å; L233-R237 VanDerWaalsContact O-N 3.08Å
234Q95.5Very high93.7Very high90 Ų9077.5 Ų77.542%0.42136%0.364SS..Hα-helixtrans-75.7-40.1177.8-171.866.3-1300112.6R230 D231 Y232 R237 H238R230-Q234 WeakPolarHBondContact O-CB 3.49Å; R230-Q234 PolarHBondContact O-N 3.3Å; D231-Q234 PolarHBondContact O-N 3.26Å; Y232-Q234 VanDerWaalsContact C-N 3.26Å; Y232-Q234 PolarHBondContact O-N 3.07Å; Q234-R237 WeakPolarHBondContact O-CB 3.42Å; Q234-R237 PolarHBondContact O-N 3.07Å; Q234-R237 VanDerWaalsContact OE1-NE 3.15Å; Q234-H238 PolarHBondContact O-N 3.35Å; Q234-H238 PolarHBondContact O-ND1 3.4Å
235D94.7Very high93.3Very high45 Ų4577.3 Ų77.324%0.24136%0.363CS..Hα-helixtrans-59.9-48170.9169.664.9000111.3D231 Y232 R237 H238 K239D231-D235 WeakPolarHBondContact O-CB 3.49Å; D231-D235 PolarHBondContact O-N 3.03Å; Y232-D235 PolarHBondContact O-N 3.16Å; D235-R237 VanDerWaalsContact C-N 3.32Å; D235-R237 PolarHBondContact O-N 3.3Å; D235-H238 PolarHBondContact O-N 2.87Å; D235-H238 VanDerWaalsContact O-N 3.09Å; D235-K239 VanDerWaalsContact CG-NZ 3.32Å; D235-K239 WeakPolarHBondContact O-CG 3.11Å; D235-K239 PolarHBondContact O-N 3.43Å; D235-K239 WeakPolarHBondContact OD1-CE 3.46Å; D235-K239 IonicContact OD1-NZ 3.35Å; D235-K239 PolarHBondContact OD1-NZ 3.09Å; D235-K239 WeakPolarHBondContact OD2-CE 3.48Å; D235-K239 IonicContact OD2-NZ 3.72Å; D235-K239 PolarHBondContact OD2-NZ 3.49Å
236L96.7Very high93Very high10 Ų1076.5 Ų76.55%0.05236%0.36CS..Hα-helixtrans-58.4-41176.8-178.965.3000112.3V90 I91 F98 Y232 H238 K239 V240V90-L236 HydrophobicContact CG1-CD1 4.31Å; I91-L236 HydrophobicContact CG1-CD1 3.94Å; F98-L236 HydrophobicContact CE1-CD2 3.66Å; F98-L236 HydrophobicContact CZ-CD2 3.46Å; F98-L236 VanDerWaalsContact CZ-CD2 3.46Å; Y232-L236 HydrophobicContact CE1-CD2 4.36Å; Y232-L236 VanDerWaalsContact O-CB 3.29Å; Y232-L236 WeakPolarHBondContact O-CB 3.5Å; Y232-L236 PolarHBondContact O-N 3.18Å; L236-H238 VanDerWaalsContact C-N 3.3Å; L236-H238 PolarHBondContact O-N 3.01Å; L236-K239 PolarHBondContact O-N 3.25Å; L236-K239 VanDerWaalsContact O-N 3.15Å; L236-V240 HydrophobicContact CD1-CG2 4.33Å; L236-V240 HydrophobicContact CG-CG2 4.44Å; L236-V240 WeakPolarHBondContact O-CG2 3.27Å; L236-V240 PolarHBondContact O-N 2.97Å
237R95.6Very high92.9Very high175 Ų17579.8 Ų79.866%0.6637%0.365SS*.Hα-helixtrans-55.5-44.4174.6-174.8-166.8-65-96-2.2111.7L233 Q234 D235 Q241L233-R237 PolarHBondContact O-N 3.46Å; L233-R237 VanDerWaalsContact O-N 3.08Å; Q234-R237 WeakPolarHBondContact O-CB 3.42Å; Q234-R237 PolarHBondContact O-N 3.07Å; Q234-R237 VanDerWaalsContact OE1-NE 3.15Å; D235-R237 VanDerWaalsContact C-N 3.32Å; D235-R237 PolarHBondContact O-N 3.3Å; R237-Q241 PolarHBondContact O-N 3Å
238H92.3Very high92.7Very high114 Ų11479.4 Ų79.453%0.52836%0.363SS..Hα-helixtrans-67.6-40.3177.2-67.491.7000111.7Q234 D235 L236 Q241 K242Q234-H238 PolarHBondContact O-N 3.35Å; Q234-H238 PolarHBondContact O-ND1 3.4Å; D235-H238 PolarHBondContact O-N 2.87Å; D235-H238 VanDerWaalsContact O-N 3.09Å; L236-H238 VanDerWaalsContact C-N 3.3Å; L236-H238 PolarHBondContact O-N 3.01Å; H238-Q241 PolarHBondContact O-N 3.37Å; H238-K242 VanDerWaalsContact O-CB 3.31Å; H238-K242 WeakPolarHBondContact O-CB 3.45Å; H238-K242 PolarHBondContact O-N 2.93Å
239K94.2Very high92.2Very high38 Ų3876.9 Ų76.917%0.16535%0.349CS..Hα-helixtrans-64.1-41.1178-70.5177.2172.2161.50112.8D87 V90 I91 D235 L236 K242 T243D87-K239 HydrophobicContact CB-CB 4.17Å; D87-K239 HydrophobicContact CB-CD 4.41Å; D87-K239 HydrophobicContact CB-CG 4.13Å; D87-K239 WeakPolarHBondContact OD1-CE 3.3Å; D87-K239 WeakPolarHBondContact OD1-CG 3.43Å; V90-K239 HydrophobicContact CB-CD 4.23Å; V90-K239 HydrophobicContact CG1-CD 3.88Å; I91-K239 HydrophobicContact CD1-CB 4.39Å; I91-K239 HydrophobicContact CG1-CB 4.46Å; D235-K239 VanDerWaalsContact CG-NZ 3.32Å; D235-K239 WeakPolarHBondContact O-CG 3.11Å; D235-K239 PolarHBondContact O-N 3.43Å; D235-K239 WeakPolarHBondContact OD1-CE 3.46Å; D235-K239 IonicContact OD1-NZ 3.35Å; D235-K239 PolarHBondContact OD1-NZ 3.09Å; D235-K239 WeakPolarHBondContact OD2-CE 3.48Å; D235-K239 IonicContact OD2-NZ 3.72Å; D235-K239 PolarHBondContact OD2-NZ 3.49Å; L236-K239 PolarHBondContact O-N 3.25Å; L236-K239 VanDerWaalsContact O-N 3.15Å; K239-K242 PolarHBondContact O-N 2.98Å; K239-T243 WeakPolarHBondContact O-CB 3.39Å; K239-T243 PolarHBondContact O-N 2.63Å; K239-T243 PolarHBondContact O-OG1 3.37Å
240V95.1Very high91.8Very high60 Ų6075.4 Ų75.436%0.36435%0.345SS..Hα-helixtrans-62-45.1173.8170.90000110.9I91 L236 T243 R244I91-V240 HydrophobicContact CD1-CG2 4.06Å; I91-V240 HydrophobicContact CG1-CG2 3.94Å; L236-V240 HydrophobicContact CD1-CG2 4.33Å; L236-V240 HydrophobicContact CG-CG2 4.44Å; L236-V240 WeakPolarHBondContact O-CG2 3.27Å; L236-V240 PolarHBondContact O-N 2.97Å; V240-T243 PolarHBondContact O-N 2.9Å; V240-R244 PolarHBondContact O-N 3.14Å
241Q91.4Very high91.6Very high74 Ų7475 Ų7535%0.34634%0.344SS..Hα-helixtrans-64.3-44.3177.2178.757.225.100112.4R237 H238 T243 R244 E245R237-Q241 PolarHBondContact O-N 3Å; H238-Q241 PolarHBondContact O-N 3.37Å; Q241-T243 VanDerWaalsContact C-N 3.29Å; Q241-T243 PolarHBondContact O-N 3.32Å; Q241-R244 WeakPolarHBondContact O-CB 3.36Å; Q241-R244 PolarHBondContact O-N 3.2Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.33Å; Q241-E245 PolarHBondContact NE2-OE1 3Å; Q241-E245 WeakPolarHBondContact O-CG 3.42Å; Q241-E245 PolarHBondContact O-N 3.18Å
242K88Confident91.4Very high52 Ų5276.4 Ų76.423%0.22635%0.346CS..Hα-helixtrans-57.4-40.9174.4-170.5-169.3-173.2-173.20112.2D87 H238 K239 E245 N246 F538D87-K242 IonicContact OD1-NZ 3.88Å; D87-K242 PolarHBondContact OD1-NZ 2.95Å; D87-K242 WeakPolarHBondContact OD2-CE 3Å; D87-K242 IonicContact OD2-NZ 2.77Å; D87-K242 PolarHBondContact OD2-NZ 3.49Å; H238-K242 VanDerWaalsContact O-CB 3.31Å; H238-K242 WeakPolarHBondContact O-CB 3.45Å; H238-K242 PolarHBondContact O-N 2.93Å; K239-K242 PolarHBondContact O-N 2.98Å; K242-E245 PolarHBondContact O-N 3.16Å; K242-N246 PolarHBondContact O-N 3.49Å; K242-N246 VanDerWaalsContact O-N 3.08Å; K242-N246 PolarHBondContact O-ND2 2.84Å; K242-F538 HydrophobicContact CD-CE2 4.24Å; K242-F538 HydrophobicContact CD-CZ 4.25Å; K242-F538 VanDerWaalsContact CE-CD2 3.41Å; K242-F538 HydrophobicContact CG-CE1 3.8Å; K242-F538 HydrophobicContact CG-CE2 3.9Å; K242-F538 HydrophobicContact CG-CZ 3.45Å; K242-F538 VanDerWaalsContact CG-CZ 3.45Å
243T89.8Confident90.9Very high31 Ų3175.8 Ų75.819%0.1935%0.345CS..Hα-helixtrans-71.1-37.1178.6-55.30000111.7E88 I91 K239 V240 Q241 N246 F247E88-T243 HydrophobicContact CG-CG2 3.97Å; I91-T243 HydrophobicContact CD1-CG2 4.27Å; I91-T243 VanDerWaalsContact CD1-OG1 3.26Å; I91-T243 WeakPolarHBondContact CD1-OG1 3.28Å; K239-T243 WeakPolarHBondContact O-CB 3.39Å; K239-T243 PolarHBondContact O-N 2.63Å; K239-T243 PolarHBondContact O-OG1 3.37Å; V240-T243 PolarHBondContact O-N 2.9Å; Q241-T243 VanDerWaalsContact C-N 3.29Å; Q241-T243 PolarHBondContact O-N 3.32Å; T243-N246 PolarHBondContact O-N 3.18Å; T243-F247 WeakPolarHBondContact O-CB 3.21Å; T243-F247 PolarHBondContact O-N 2.93Å
244R91.5Very high90.5Very high138 Ų13874.5 Ų74.552%0.52134%0.34SS..Hα-helixtrans-60.8-44.8170.7178.9-174.1-70.4141-7.3111.8V240 Q241 F247 E248V240-R244 PolarHBondContact O-N 3.14Å; Q241-R244 WeakPolarHBondContact O-CB 3.36Å; Q241-R244 PolarHBondContact O-N 3.2Å; R244-F247 WeakPolarHBondContact O-CB 3.29Å; R244-F247 PolarHBondContact O-N 2.86Å; R244-E248 WeakPolarHBondContact O-CG 3.33Å; R244-E248 PolarHBondContact O-N 3.05Å
245E87Confident90.3Very high92 Ų9273.7 Ų73.743%0.4334%0.342SS..Hα-helixtrans-62.6-44.3177.4-72.7167.8-163.900112.1Q241 K242 F247 E248 E249Q241-E245 WeakPolarHBondContact CG-OE1 3.33Å; Q241-E245 PolarHBondContact NE2-OE1 3Å; Q241-E245 WeakPolarHBondContact O-CG 3.42Å; Q241-E245 PolarHBondContact O-N 3.18Å; K242-E245 PolarHBondContact O-N 3.16Å; E245-F247 VanDerWaalsContact C-N 3.32Å; E245-F247 PolarHBondContact O-N 2.93Å; E245-E248 PolarHBondContact O-N 2.84Å; E245-E249 PolarHBondContact O-N 2.63Å; E245-E249 VanDerWaalsContact O-N 3.15Å
246N85.7Confident89.9Confident27 Ų2776.5 Ų76.514%0.14435%0.353CS..Hα-helixtrans-60.4-38.9172.9-69.2-30.4000112.4K242 T243 A250K242-N246 PolarHBondContact O-N 3.49Å; K242-N246 VanDerWaalsContact O-N 3.08Å; K242-N246 PolarHBondContact O-ND2 2.84Å; T243-N246 PolarHBondContact O-N 3.18Å; N246-A250 WeakPolarHBondContact O-CB 3.41Å; N246-A250 PolarHBondContact O-N 3.01Å; N246-A250 VanDerWaalsContact O-N 3.13Å
247F89.3Confident89.4Confident118 Ų11876.6 Ų76.652%0.51835%0.354SS..Hα-helixtrans-66.2-42.1176.8167.3-97000112.2T243 R244 E245 A250 R251T243-F247 WeakPolarHBondContact O-CB 3.21Å; T243-F247 PolarHBondContact O-N 2.93Å; R244-F247 WeakPolarHBondContact O-CB 3.29Å; R244-F247 PolarHBondContact O-N 2.86Å; E245-F247 VanDerWaalsContact C-N 3.32Å; E245-F247 PolarHBondContact O-N 2.93Å; F247-A250 CarbonylContact O-C 3.57Å; F247-A250 PolarHBondContact O-N 2.84Å; F247-R251 HydrophobicContact CE1-CB 4.45Å; F247-R251 HydrophobicContact CZ-CB 4.45Å; F247-R251 WeakPolarHBondContact O-CB 3.42Å; F247-R251 PolarHBondContact O-N 2.84Å
248E89.6Confident88.9Confident74 Ų7474.6 Ų74.635%0.34635%0.35SS..Hα-helixtrans-64.4-42.8179.1-74.1-58.8151.800112.2R244 E245 A250 R251 E252R244-E248 WeakPolarHBondContact O-CG 3.33Å; R244-E248 PolarHBondContact O-N 3.05Å; E245-E248 PolarHBondContact O-N 2.84Å; E248-A250 VanDerWaalsContact C-N 3.3Å; E248-A250 PolarHBondContact O-N 2.88Å; E248-R251 VanDerWaalsContact CD-NH2 3.35Å; E248-R251 WeakPolarHBondContact O-CB 3.48Å; E248-R251 PolarHBondContact O-N 2.89Å; E248-R251 VanDerWaalsContact O-N 3.16Å; E248-R251 IonicContact OE1-CZ 2.69Å; E248-R251 IonicContact OE1-NE 3.03Å; E248-R251 PolarHBondContact OE1-NE 2.87Å; E248-R251 IonicContact OE1-NH2 3.71Å; E248-R251 PolarHBondContact OE1-NH2 2.74Å; E248-R251 IonicContact OE2-CZ 3.83Å; E248-R251 IonicContact OE2-NE 2.75Å; E248-R251 PolarHBondContact OE2-NE 2.99Å; E248-R251 IonicContact OE2-NH2 3.52Å; E248-R251 PolarHBondContact OE2-NH2 2.98Å; E248-E252 PolarHBondContact O-N 2.97Å
249E84.3Confident88.6Confident47 Ų4772 Ų7222%0.2234%0.342CS..Hα-helixtrans-62-38.3174-160.8-164.1-172.700111.8E245 K253E245-E249 PolarHBondContact O-N 2.63Å; E245-E249 VanDerWaalsContact O-N 3.15Å; E249-K253 HydrophobicContact CG-CD 4.46Å; E249-K253 WeakPolarHBondContact O-CD 3.23Å; E249-K253 VanDerWaalsContact O-CG 3.31Å; E249-K253 WeakPolarHBondContact O-CG 3.32Å; E249-K253 PolarHBondContact O-N 3.18Å; E249-K253 WeakPolarHBondContact OE1-CE 3.49Å; E249-K253 IonicContact OE1-NZ 3.53Å; E249-K253 PolarHBondContact OE1-NZ 2.88Å; E249-K253 IonicContact OE2-NZ 2.61Å; E249-K253 PolarHBondContact OE2-NZ 2.57Å
250A86Confident88Confident19 Ų1973.3 Ų73.316%0.15735%0.348CS..Hα-helixtrans-68.4-37.8173.900000112.4N246 F247 E248 K253 V254 I559N246-A250 WeakPolarHBondContact O-CB 3.41Å; N246-A250 PolarHBondContact O-N 3.01Å; N246-A250 VanDerWaalsContact O-N 3.13Å; F247-A250 CarbonylContact O-C 3.57Å; F247-A250 PolarHBondContact O-N 2.84Å; E248-A250 VanDerWaalsContact C-N 3.3Å; E248-A250 PolarHBondContact O-N 2.88Å; A250-K253 PolarHBondContact O-N 2.84Å; A250-V254 WeakPolarHBondContact O-CB 3.33Å; A250-V254 VanDerWaalsContact O-CG2 3.3Å; A250-V254 WeakPolarHBondContact O-CG2 3.13Å; A250-V254 PolarHBondContact O-N 3.36Å; A250-I559 HydrophobicContact CB-CG2 3.98Å
251R91.1Very high87.1Confident138 Ų13875.6 Ų75.652%0.52135%0.351SS..Hα-helixtrans-64.7-42.9178-175.217275.5132.1-2.1111.6F247 E248 T255F247-R251 HydrophobicContact CE1-CB 4.45Å; F247-R251 HydrophobicContact CZ-CB 4.45Å; F247-R251 WeakPolarHBondContact O-CB 3.42Å; F247-R251 PolarHBondContact O-N 2.84Å; E248-R251 VanDerWaalsContact CD-NH2 3.35Å; E248-R251 WeakPolarHBondContact O-CB 3.48Å; E248-R251 PolarHBondContact O-N 2.89Å; E248-R251 VanDerWaalsContact O-N 3.16Å; E248-R251 IonicContact OE1-CZ 2.69Å; E248-R251 IonicContact OE1-NE 3.03Å; E248-R251 PolarHBondContact OE1-NE 2.87Å; E248-R251 IonicContact OE1-NH2 3.71Å; E248-R251 PolarHBondContact OE1-NH2 2.74Å; E248-R251 IonicContact OE2-CZ 3.83Å; E248-R251 IonicContact OE2-NE 2.75Å; E248-R251 PolarHBondContact OE2-NE 2.99Å; E248-R251 IonicContact OE2-NH2 3.52Å; E248-R251 PolarHBondContact OE2-NH2 2.98Å; R251-T255 WeakPolarHBondContact O-CB 3.46Å; R251-T255 PolarHBondContact O-N 2.91Å; R251-T255 PolarHBondContact O-OG1 3.15Å
252E89.9Confident86.5Confident132 Ų13278.5 Ų78.562%0.61737%0.366SS*.Hα-helixtrans-60.4-52.6173.5-174.5173-14400110.8E248 V254 T255 E256E248-E252 PolarHBondContact O-N 2.97Å; E252-V254 PolarHBondContact O-N 2.96Å; E252-T255 CarbonylContact O-C 3.5Å; E252-T255 WeakPolarHBondContact O-CA 3.21Å; E252-T255 WeakPolarHBondContact O-CB 3.49Å; E252-T255 PolarHBondContact O-N 2.84Å; E252-E256 PolarHBondContact O-N 2.76Å
253K85.4Confident85.9Confident40 Ų4082.7 Ų82.717%0.17439%0.386CS..Hα-helixtrans-62.9-37.8-179.6-69.9169.8-172.8168.60113.6E249 A250 T255 E256 L257 I559 I562E249-K253 HydrophobicContact CG-CD 4.46Å; E249-K253 WeakPolarHBondContact O-CD 3.23Å; E249-K253 VanDerWaalsContact O-CG 3.31Å; E249-K253 WeakPolarHBondContact O-CG 3.32Å; E249-K253 PolarHBondContact O-N 3.18Å; E249-K253 WeakPolarHBondContact OE1-CE 3.49Å; E249-K253 IonicContact OE1-NZ 3.53Å; E249-K253 PolarHBondContact OE1-NZ 2.88Å; E249-K253 IonicContact OE2-NZ 2.61Å; E249-K253 PolarHBondContact OE2-NZ 2.57Å; A250-K253 PolarHBondContact O-N 2.84Å; K253-T255 VanDerWaalsContact C-N 3.28Å; K253-T255 PolarHBondContact O-N 3.37Å; K253-E256 PolarHBondContact O-N 3.11Å; K253-L257 VanDerWaalsContact O-CB 3.31Å; K253-L257 WeakPolarHBondContact O-CB 3.32Å; K253-L257 PolarHBondContact O-N 3.35Å; K253-I559 HydrophobicContact CB-CD1 4.05Å; K253-I559 HydrophobicContact CB-CG1 4.16Å; K253-I559 HydrophobicContact CB-CG2 3.81Å; K253-I559 HydrophobicContact CD-CG2 4.44Å; K253-I562 HydrophobicContact CD-CD1 3.59Å
254V88.4Confident84.6Confident51 Ų5187.8 Ų87.831%0.30941%0.406SS..Hα-helixtrans-66.5-32.9172.8169.40000111.1A250 E252 L257 K258 V556 I559A250-V254 WeakPolarHBondContact O-CB 3.33Å; A250-V254 VanDerWaalsContact O-CG2 3.3Å; A250-V254 WeakPolarHBondContact O-CG2 3.13Å; A250-V254 PolarHBondContact O-N 3.36Å; E252-V254 PolarHBondContact O-N 2.96Å; V254-L257 PolarHBondContact O-N 2.95Å; V254-K258 WeakPolarHBondContact O-CB 3.02Å; V254-K258 PolarHBondContact O-N 3.5Å; V254-V556 HydrophobicContact CG2-CG1 4.25Å; V254-V556 HydrophobicContact CG2-CG2 4.46Å; V254-I559 HydrophobicContact CG2-CB 4.41Å; V254-I559 HydrophobicContact CG2-CD1 3.96Å; V254-I559 HydrophobicContact CG2-CG2 4.02Å
255T90.1Very high83.1Confident73 Ų7392 Ų9245%0.44842%0.422SS..Hα-helixtrans-72-42.5176.1-580000111.9R251 E252 K253 L257 K258 T259R251-T255 WeakPolarHBondContact O-CB 3.46Å; R251-T255 PolarHBondContact O-N 2.91Å; R251-T255 PolarHBondContact O-OG1 3.15Å; E252-T255 CarbonylContact O-C 3.5Å; E252-T255 WeakPolarHBondContact O-CA 3.21Å; E252-T255 WeakPolarHBondContact O-CB 3.49Å; E252-T255 PolarHBondContact O-N 2.84Å; K253-T255 VanDerWaalsContact C-N 3.28Å; K253-T255 PolarHBondContact O-N 3.37Å; T255-L257 VanDerWaalsContact C-N 3.34Å; T255-L257 PolarHBondContact O-N 2.73Å; T255-K258 PolarHBondContact O-N 3.34Å; T255-T259 PolarHBondContact O-N 3.14Å; T255-T259 VanDerWaalsContact O-N 3.07Å; T255-T259 PolarHBondContact O-OG1 2.86Å; T255-T259 VanDerWaalsContact O-OG1 3.07Å
256E86.9Confident81.3Confident103 Ų10392.1 Ų92.148%0.48143%0.429SS..Hα-helixtrans-56.9-47.8168.8-70.3-163.5159.800111.5E252 K253 K258 T259 K260E252-E256 PolarHBondContact O-N 2.76Å; K253-E256 PolarHBondContact O-N 3.11Å; E256-K258 VanDerWaalsContact C-N 3.35Å; E256-K258 PolarHBondContact O-N 3.45Å; E256-T259 WeakPolarHBondContact O-CB 3.47Å; E256-T259 PolarHBondContact O-N 2.99Å; E256-T259 VanDerWaalsContact O-N 3.14Å; E256-K260 WeakPolarHBondContact O-CG 3.33Å; E256-K260 PolarHBondContact O-N 3.47Å; E256-K260 IonicContact OE2-NZ 3.15Å
257L85.5Confident79.8Confident12 Ų1295.9 Ų95.96%0.06344%0.444CS..Hα-helixtrans-60.8-44.5-178.4-172.260.4000111.6K253 V254 T255 T259 K260 Y261 E554 V556 I559K253-L257 VanDerWaalsContact O-CB 3.31Å; K253-L257 WeakPolarHBondContact O-CB 3.32Å; K253-L257 PolarHBondContact O-N 3.35Å; V254-L257 PolarHBondContact O-N 2.95Å; T255-L257 VanDerWaalsContact C-N 3.34Å; T255-L257 PolarHBondContact O-N 2.73Å; L257-T259 VanDerWaalsContact C-N 3.34Å; L257-T259 PolarHBondContact O-N 3.39Å; L257-K260 PolarHBondContact O-N 2.74Å; L257-Y261 HydrophobicContact CD1-CD2 3.82Å; L257-Y261 HydrophobicContact CD1-CE2 3.59Å; L257-Y261 HydrophobicContact CG-CD2 4.14Å; L257-Y261 HydrophobicContact CG-CE2 4.12Å; L257-Y261 WeakPolarHBondContact O-CD2 3.21Å; L257-Y261 PolarHBondContact O-N 3.21Å; L257-E554 HydrophobicContact CD1-CB 3.62Å; L257-V556 HydrophobicContact CD2-CG2 4.33Å; L257-I559 HydrophobicContact CB-CD1 4.22Å; L257-I559 HydrophobicContact CD2-CD1 3.71Å
258K85.9Confident78Confident133 Ų13393 Ų9358%0.57844%0.438SS*.Hα-helixtrans-54.8-48.1172.6174.6-172.5172.6-170.60111.2V254 T255 E256 Y261 M262V254-K258 WeakPolarHBondContact O-CB 3.02Å; V254-K258 PolarHBondContact O-N 3.5Å; T255-K258 PolarHBondContact O-N 3.34Å; E256-K258 VanDerWaalsContact C-N 3.35Å; E256-K258 PolarHBondContact O-N 3.45Å; K258-Y261 PolarHBondContact O-N 3.44Å; K258-M262 HydrophobicContact CG-SD 4.12Å; K258-M262 WeakPolarHBondContact O-CB 3.24Å; K258-M262 WeakPolarHBondContact O-CG 3.38Å; K258-M262 PolarHBondContact O-N 3.44Å
259T85.7Confident76.1Confident61 Ų6198.3 Ų98.337%0.37446%0.462SS..Hα-helixtrans-62.5-49.3178.4-57.20000111.6T255 E256 L257 Y261 M262 E263T255-T259 PolarHBondContact O-N 3.14Å; T255-T259 VanDerWaalsContact O-N 3.07Å; T255-T259 PolarHBondContact O-OG1 2.86Å; T255-T259 VanDerWaalsContact O-OG1 3.07Å; E256-T259 WeakPolarHBondContact O-CB 3.47Å; E256-T259 PolarHBondContact O-N 2.99Å; E256-T259 VanDerWaalsContact O-N 3.14Å; L257-T259 VanDerWaalsContact C-N 3.34Å; L257-T259 PolarHBondContact O-N 3.39Å; T259-Y261 VanDerWaalsContact C-N 3.29Å; T259-Y261 PolarHBondContact O-N 3.21Å; T259-M262 PolarHBondContact O-N 3.12Å; T259-M262 VanDerWaalsContact O-N 3.08Å; T259-E263 HydrophobicContact CG2-CG 4.37Å; T259-E263 WeakPolarHBondContact O-CG 3.33Å; T259-E263 PolarHBondContact O-N 3.08Å
260K80.9Confident74.8Confident64 Ų6498.6 Ų98.628%0.27846%0.464SS..Hα-helixtrans-53.4-43.6176.3-70.6170.7-177.51710112.3E256 L257 K264 E554E256-K260 WeakPolarHBondContact O-CG 3.33Å; E256-K260 PolarHBondContact O-N 3.47Å; E256-K260 IonicContact OE2-NZ 3.15Å; L257-K260 PolarHBondContact O-N 2.74Å; K260-K264 PolarHBondContact O-N 3.5Å; K260-E554 WeakPolarHBondContact CD-OE2 3.48Å; K260-E554 IonicContact NZ-OE1 2.86Å; K260-E554 PolarHBondContact NZ-OE1 2.74Å; K260-E554 IonicContact NZ-OE2 2.7Å; K260-E554 PolarHBondContact NZ-OE2 2.87Å
261Y76.1Confident73.8Confident108 Ų108104.5 Ų104.542%0.42449%0.491SS..Hα-helixtrans-71-37.4177.9-90.5-106.7000113L257 K258 T259 R265 P268L257-Y261 HydrophobicContact CD1-CD2 3.82Å; L257-Y261 HydrophobicContact CD1-CE2 3.59Å; L257-Y261 HydrophobicContact CG-CD2 4.14Å; L257-Y261 HydrophobicContact CG-CE2 4.12Å; L257-Y261 WeakPolarHBondContact O-CD2 3.21Å; L257-Y261 PolarHBondContact O-N 3.21Å; K258-Y261 PolarHBondContact O-N 3.44Å; T259-Y261 VanDerWaalsContact C-N 3.29Å; T259-Y261 PolarHBondContact O-N 3.21Å; Y261-R265 PolarHBondContact O-N 3.03Å; Y261-P268 WeakPolarHBondContact OH-CD 3.42Å; Y261-P268 WeakPolarHBondContact OH-CG 3.29Å
262M79.1Confident72.7Confident135 Ų135100 Ų10067%0.66548%0.475SS*.Hα-helixtrans-65.3-45.2176.2-77.6-18061.400112.4K258 T259K258-M262 HydrophobicContact CG-SD 4.12Å; K258-M262 WeakPolarHBondContact O-CB 3.24Å; K258-M262 WeakPolarHBondContact O-CG 3.38Å; K258-M262 PolarHBondContact O-N 3.44Å; T259-M262 PolarHBondContact O-N 3.12Å; T259-M262 VanDerWaalsContact O-N 3.08Å
263E75.3Confident72.3Confident141 Ų14197.1 Ų97.166%0.65947%0.467SS*.Hα-helixtrans-65.9-61-179.8-71.9178.617100112.2T259T259-E263 HydrophobicContact CG2-CG 4.37Å; T259-E263 WeakPolarHBondContact O-CG 3.33Å; T259-E263 PolarHBondContact O-N 3.08Å
264K63.2Low72.2Confident138 Ų13896.2 Ų96.260%0.646%0.463SS*.Hα-helixtrans-82-30-164.9-60.7-179.9-179.6174.60112.5K260 T266K260-K264 PolarHBondContact O-N 3.5Å; K264-T266 HydrophobicContact CB-CG2 4.41Å; K264-T266 VanDerWaalsContact CB-OG1 3.29Å; K264-T266 WeakPolarHBondContact CB-OG1 3.41Å; K264-T266 PolarHBondContact O-N 2.68Å
265R58.9Low72.2Confident225 Ų22598.4 Ų98.485%0.84947%0.465SS*.  trans50.611.6-167.1-57.3-171.8-179.2-164.51.9114.8Y261Y261-R265 PolarHBondContact O-N 3.03Å
266T51Low72.2Confident95 Ų9595.6 Ų95.658%0.58345%0.451SS*.PPolyproline II helixtrans-84.4127.2175.650.30000109.1K264K264-T266 HydrophobicContact CB-CG2 4.41Å; K264-T266 VanDerWaalsContact CB-OG1 3.29Å; K264-T266 WeakPolarHBondContact CB-OG1 3.41Å; K264-T266 PolarHBondContact O-N 2.68Å
267K53.5Low72.4Confident106 Ų10692.7 Ų92.746%0.46144%0.436SS..PPolyproline II helixtrans-80.7159.7173.2-50.3175.8-173.2173.50110.1E270K267-E270 HydrophobicContact CB-CG 4.29Å; K267-E270 HydrophobicContact CD-CG 3.92Å; K267-E270 WeakPolarHBondContact CD-OE1 3.18Å; K267-E270 WeakPolarHBondContact CD-OE2 3.37Å; K267-E270 WeakPolarHBondContact CE-OE1 3.35Å; K267-E270 IonicContact NZ-OE1 2.71Å; K267-E270 PolarHBondContact NZ-OE1 3.1Å; K267-E270 IonicContact NZ-OE2 2.6Å; K267-E270 PolarHBondContact NZ-OE2 2.88Å
268P50.9Low72.8Confident59 Ų5992.1 Ų92.138%0.38343%0.433SS..SBendtrans-55.5164.9159.9-22.634.3000112.1Y261 E270Y261-P268 WeakPolarHBondContact OH-CD 3.42Å; Y261-P268 WeakPolarHBondContact OH-CG 3.29Å; P268-E270 WeakPolarHBondContact O-CG 3.45Å; P268-E270 PolarHBondContact O-N 3.24Å
269E50.8Low73.1Confident184 Ų18488.8 Ų88.886%0.8642%0.418SS*.  trans-56.3110.8-179.7-62.6-170.8125.500111.1
270E56.3Low73.4Confident54 Ų5486.5 Ų86.525%0.25240%0.404SS..  trans-80131.6-169.6-63.6-156106.400112.4K267 P268 F272 R275K267-E270 HydrophobicContact CB-CG 4.29Å; K267-E270 HydrophobicContact CD-CG 3.92Å; K267-E270 WeakPolarHBondContact CD-OE1 3.18Å; K267-E270 WeakPolarHBondContact CD-OE2 3.37Å; K267-E270 WeakPolarHBondContact CE-OE1 3.35Å; K267-E270 IonicContact NZ-OE1 2.71Å; K267-E270 PolarHBondContact NZ-OE1 3.1Å; K267-E270 IonicContact NZ-OE2 2.6Å; K267-E270 PolarHBondContact NZ-OE2 2.88Å; P268-E270 WeakPolarHBondContact O-CG 3.45Å; P268-E270 PolarHBondContact O-N 3.24Å; E270-F272 WeakPolarHBondContact CB-O 3.34Å; E270-F272 CarbonylContact O-C 3.59Å; E270-F272 PolarHBondContact O-N 2.95Å; E270-R275 IonicContact OE1-CZ 2.65Å; E270-R275 VanDerWaalsContact OE1-CZ 3.25Å; E270-R275 IonicContact OE1-NE 2.71Å; E270-R275 PolarHBondContact OE1-NE 3.41Å; E270-R275 IonicContact OE1-NH2 3.96Å; E270-R275 PolarHBondContact OE1-NH2 3.01Å
271I65.3Low73.8Confident143 Ų14384.8 Ų84.873%0.73340%0.397SS*.SBendtrans-50-19.3165.3-61.3168.9000112.5
272F67Low74.2Confident43 Ų4381.7 Ų81.719%0.18939%0.387CS..SBendtrans-119.8124.8176.1-52-95.8000108.6E270 K274 R275 T296 F297 K298E270-F272 WeakPolarHBondContact CB-O 3.34Å; E270-F272 CarbonylContact O-C 3.59Å; E270-F272 PolarHBondContact O-N 2.95Å; F272-K274 PolarHBondContact O-N 3.38Å; F272-R275 HydrophobicContact CB-CB 4.37Å; F272-T296 HydrophobicContact CD1-CG2 4.13Å; F272-T296 WeakPolarHBondContact CD1-OG1 3.5Å; F272-T296 HydrophobicContact CE1-CG2 4.04Å; F272-T296 WeakPolarHBondContact CE1-OG1 3.44Å; F272-F297 CarbonylContact C-O 3.42Å; F272-F297 WeakPolarHBondContact CA-O 3.43Å; F272-K298 HydrophobicContact CD1-CD 4.3Å; F272-K298 VanDerWaalsContact CD1-CE 3.44Å; F272-K298 HydrophobicContact CD1-CG 3.83Å; F272-K298 HydrophobicContact CG-CG 4.5Å
273T81.8Confident74Confident71 Ų7183.6 Ų83.644%0.43639%0.391SS..SBendtrans-52.6-29.9175.6-46.80000112.4F297 K299 A373T273-F297 PolarHBondContact N-O 3.36Å; T273-K299 HydrophobicContact CG2-CB 3.88Å; T273-K299 HydrophobicContact CG2-CD 4.39Å; T273-K299 VanDerWaalsContact OG1-CB 3.25Å; T273-K299 WeakPolarHBondContact OG1-CB 3.16Å; T273-K299 PolarHBondContact OG1-N 3.25Å; T273-A373 HydrophobicContact CG2-CB 4.14Å
274K84.2Confident73.9Confident22 Ų2282.5 Ų82.510%0.09638%0.384CS..EExtended strand (participates in β ladder)trans-154.6145.8160.5-170.3160.6164.762.10111.5F272 T296 F297 D366 Y369 W370 A373F272-K274 PolarHBondContact O-N 3.38Å; K274-T296 CarbonylContact O-C 3.36Å; K274-F297 PolarHBondContact N-O 2.9Å; K274-F297 PolarHBondContact O-N 3.15Å; K274-D366 WeakPolarHBondContact CE-OD1 3.26Å; K274-D366 IonicContact NZ-OD1 2.85Å; K274-D366 PolarHBondContact NZ-OD1 3.44Å; K274-Y369 WeakPolarHBondContact CD-O 3.13Å; K274-W370 HydrophobicContact CB-CE3 3.98Å; K274-W370 HydrophobicContact CB-CH2 4.41Å; K274-W370 HydrophobicContact CB-CZ3 3.82Å; K274-W370 HydrophobicContact CD-CB 4.45Å; K274-W370 HydrophobicContact CD-CD2 3.59Å; K274-W370 HydrophobicContact CD-CE3 3.63Å; K274-W370 HydrophobicContact CD-CG 3.91Å; K274-W370 HydrophobicContact CD-CZ3 4.21Å; K274-W370 VanDerWaalsContact CE-CE2 3.44Å; K274-W370 HydrophobicContact CG-CD2 4.01Å; K274-W370 HydrophobicContact CG-CE3 3.76Å; K274-W370 HydrophobicContact CG-CH2 4.04Å; K274-W370 HydrophobicContact CG-CZ2 4.22Å; K274-W370 HydrophobicContact CG-CZ3 3.78Å; K274-A373 HydrophobicContact CB-CB 3.9Å; K274-A373 HydrophobicContact CD-CB 4.26Å
275R88.7Confident74.2Confident96 Ų9681.9 Ų81.936%0.36240%0.395SS..EExtended strand (participates in β ladder)trans-141.2147.3165.659.8-178170.4159.1-0.1111.6E270 F272 Y294 C295 T296E270-R275 IonicContact OE1-CZ 2.65Å; E270-R275 VanDerWaalsContact OE1-CZ 3.25Å; E270-R275 IonicContact OE1-NE 2.71Å; E270-R275 PolarHBondContact OE1-NE 3.41Å; E270-R275 IonicContact OE1-NH2 3.96Å; E270-R275 PolarHBondContact OE1-NH2 3.01Å; F272-R275 HydrophobicContact CB-CB 4.37Å; R275-Y294 HydrophobicContact CB-CE1 4.43Å; R275-Y294 WeakPolarHBondContact CD-OH 3.27Å; R275-C295 VanDerWaalsContact CA-O 3.29Å; R275-C295 WeakPolarHBondContact CA-O 3.43Å; R275-T296 HydrophobicContact CB-CG2 3.9Å
276G88.4Confident74.8Confident14 Ų1481.3 Ų81.314%0.14440%0.398CS..EExtended strand (participates in β ladder)trans166.6178.5-177.400000112.4C295G276-C295 PolarHBondContact N-O 3.08Å; G276-C295 PolarHBondContact O-N 3.39Å
277Y92.1Very high76Confident43 Ų4384.5 Ų84.517%0.16940%0.404CS..EExtended strand (participates in β ladder)trans-81.4139.7176.4-63.7-78.7000112K292 Y293 Y294 F309Y277-K292 HydrophobicContact CD1-CD 4.26Å; Y277-K292 HydrophobicContact CD1-CG 4.09Å; Y277-K292 VanDerWaalsContact CG-CE 3.49Å; Y277-Y293 WeakPolarHBondContact CA-O 3.15Å; Y277-Y294 AromaticContact CD1-CD2 3.93Å; Y277-Y294 HydrophobicContact CD1-CD2 3.93Å; Y277-Y294 HydrophobicContact CD1-CG 4.49Å; Y277-Y294 HydrophobicContact CD2-CD2 4.31Å; Y277-Y294 AromaticContact CE1-CD2 3.72Å; Y277-Y294 HydrophobicContact CE1-CD2 3.72Å; Y277-Y294 HydrophobicContact CE1-CG 4.28Å; Y277-Y294 HydrophobicContact CE2-CD2 4.09Å; Y277-Y294 HydrophobicContact CG-CD2 4.23Å; Y277-Y294 AromaticContact CZ-CD2 3.8Å; Y277-F309 HydrophobicContact CE1-CD1 4.03Å; Y277-F309 WeakPolarHBondContact OH-CD1 3.28Å
278L92.8Very high77.2Confident0 Ų081.7 Ų81.70%040%0.401CS..EExtended strand (participates in β ladder)trans-127.4156.7166.9-68.8173.9000108.9Y293 C295 F304 F345 F359 Q360 A361 W370L278-Y293 PolarHBondContact N-O 2.88Å; L278-Y293 PolarHBondContact O-N 3.35Å; L278-Y293 VanDerWaalsContact O-O 3.09Å; L278-C295 HydrophobicContact CD1-CB 3.98Å; L278-C295 HydrophobicContact CG-CB 4.4Å; L278-F304 HydrophobicContact CD1-CE2 4.45Å; L278-F304 HydrophobicContact CD1-CZ 4.08Å; L278-F345 HydrophobicContact CD1-CZ 3.78Å; L278-F345 HydrophobicContact CD2-CE1 3.77Å; L278-F345 HydrophobicContact CD2-CZ 3.77Å; L278-F345 HydrophobicContact CG-CZ 4.45Å; L278-F359 HydrophobicContact CB-CB 4.41Å; L278-F359 HydrophobicContact CB-CD1 3.85Å; L278-F359 HydrophobicContact CD1-CB 4.14Å; L278-F359 HydrophobicContact CD1-CD1 3.91Å; L278-F359 HydrophobicContact CD1-CG 4.11Å; L278-F359 HydrophobicContact CG-CD1 4.5Å; L278-Q360 WeakPolarHBondContact CA-O 3.4Å; L278-Q360 WeakPolarHBondContact CD2-O 3.49Å; L278-A361 HydrophobicContact CD2-CB 4.07Å; L278-W370 HydrophobicContact CD1-CD2 4.19Å; L278-W370 HydrophobicContact CD1-CH2 4.38Å; L278-W370 HydrophobicContact CD1-CZ2 4Å; L278-W370 HydrophobicContact CD2-CD2 4.34Å; L278-W370 HydrophobicContact CD2-CG 4.21Å; L278-W370 HydrophobicContact CD2-CZ2 4.38Å; L278-W370 VanDerWaalsContact CD2-NE1 3.32Å; L278-W370 HydrophobicContact CG-CZ2 3.93Å
279F92.4Very high78.9Confident62 Ų6281 Ų8127%0.27240%0.395SS..EExtended strand (participates in β ladder)trans-106.1122.3166.6-68-100.9000109.4W290 T291 K292 F359 Q360 L362F279-W290 HydrophobicContact CB-CB 4.47Å; F279-W290 HydrophobicContact CB-CE3 3.98Å; F279-W290 WeakPolarHBondContact O-CZ3 3.4Å; F279-T291 CarbonylContact C-O 3.57Å; F279-T291 VanDerWaalsContact CA-O 3.31Å; F279-T291 WeakPolarHBondContact CA-O 3.41Å; F279-K292 HydrophobicContact CD1-CB 3.91Å; F279-K292 HydrophobicContact CD1-CG 4.4Å; F279-K292 HydrophobicContact CE1-CB 3.68Å; F279-K292 HydrophobicContact CE1-CD 4.21Å; F279-K292 HydrophobicContact CE1-CG 4Å; F279-K292 HydrophobicContact CE2-CG 4.38Å; F279-K292 HydrophobicContact CZ-CB 4.2Å; F279-K292 HydrophobicContact CZ-CD 3.93Å; F279-K292 HydrophobicContact CZ-CG 3.99Å; F279-F359 CarbonylContact O-C 3.37Å; F279-F359 VanDerWaalsContact O-CA 3.3Å; F279-F359 WeakPolarHBondContact O-CA 3.31Å; F279-Q360 HydrophobicContact CB-CB 4.29Å; F279-Q360 PolarHBondContact N-O 3.03Å; F279-Q360 PolarHBondContact O-N 3.39Å; F279-L362 HydrophobicContact CD2-CD2 4.37Å; F279-L362 HydrophobicContact CE2-CD2 3.92Å
280L92.1Very high80.7Confident13 Ų1375.2 Ų75.27%0.06837%0.366CS..EExtended strand (participates in β ladder)trans-90.2136175174.958.6000110E282 W290 T291 Y293 M306 Y357 F359L280-E282 PolarHBondContact O-N 3.42Å; L280-W290 WeakPolarHBondContact O-CA 3.48Å; L280-T291 PolarHBondContact N-O 3.43Å; L280-T291 PolarHBondContact O-N 2.91Å; L280-Y293 HydrophobicContact CB-CD2 3.75Å; L280-Y293 HydrophobicContact CB-CE2 3.75Å; L280-Y293 HydrophobicContact CD2-CD2 4.43Å; L280-Y293 HydrophobicContact CD2-CE2 3.93Å; L280-Y293 HydrophobicContact CG-CE2 4.4Å; L280-M306 HydrophobicContact CD2-SD 4.45Å; L280-Y357 HydrophobicContact CD1-CD1 3.67Å; L280-Y357 HydrophobicContact CD1-CG 4.29Å; L280-Y357 HydrophobicContact CD2-CD1 3.85Å; L280-Y357 HydrophobicContact CD2-CE1 4.08Å; L280-Y357 HydrophobicContact CG-CD1 4.44Å; L280-F359 HydrophobicContact CB-CD1 4.05Å; L280-F359 HydrophobicContact CB-CE1 3.87Å; L280-F359 HydrophobicContact CD1-CD1 4.25Å; L280-F359 HydrophobicContact CD1-CE1 3.93Å; L280-F359 HydrophobicContact CD1-CE2 4.22Å; L280-F359 HydrophobicContact CD1-CZ 3.91Å; L280-F359 HydrophobicContact CD2-CE1 4.42Å; L280-F359 HydrophobicContact CG-CE1 4.28Å
281M89.4Confident82.2Confident28 Ų2873.8 Ų73.814%0.13836%0.36CS..EExtended strand (participates in β ladder)trans-83.699.2173.7-168.4-177.56400111.6K283 A288 W290 F339 T358M281-K283 HydrophobicContact CE-CG 4.36Å; M281-A288 HydrophobicContact CG-CB 3.94Å; M281-A288 HydrophobicContact SD-CB 4.22Å; M281-W290 HydrophobicContact CB-CD2 4.12Å; M281-W290 HydrophobicContact CB-CE3 3.97Å; M281-W290 HydrophobicContact CB-CH2 3.71Å; M281-W290 HydrophobicContact CB-CZ2 3.83Å; M281-W290 HydrophobicContact CB-CZ3 3.76Å; M281-W290 HydrophobicContact CG-CD2 4.33Å; M281-W290 HydrophobicContact CG-CH2 4.19Å; M281-W290 HydrophobicContact CG-CZ2 3.79Å; M281-W290 HydrophobicContact SD-CH2 4.28Å; M281-W290 HydrophobicContact SD-CZ2 3.76Å; M281-F339 HydrophobicContact SD-CZ 3.94Å; M281-T358 PolarHBondContact N-O 3.15Å
282E84.9Confident83.4Confident43 Ų4369.6 Ų69.620%0.20134%0.337CS..EExtended strand (participates in β ladder)trans-85.2113.4172.8-69.4162.4-168.800109.8L280 K284 A288 T289 T291 Y293L280-E282 PolarHBondContact O-N 3.42Å; E282-K284 PolarHBondContact O-N 3.2Å; E282-A288 WeakPolarHBondContact O-CA 3.36Å; E282-T289 PolarHBondContact N-O 2.85Å; E282-T289 PolarHBondContact O-N 2.76Å; E282-T289 PolarHBondContact O-OG1 3.38Å; E282-T291 WeakPolarHBondContact OE1-CB 3.36Å; E282-T291 WeakPolarHBondContact OE1-CG2 3.44Å; E282-T291 PolarHBondContact OE1-OG1 3.28Å; E282-T291 PolarHBondContact OE2-OG1 3.25Å; E282-Y293 PolarHBondContact OE1-OH 2.65Å
283K74.7Confident84.5Confident176 Ų17669.1 Ų69.177%0.76533%0.334SS*.EExtended strand (participates in β ladder)trans-79.2104.2175.7-67.9179.7180177.40110.2M281M281-K283 HydrophobicContact CE-CG 4.36Å
284K72.7Confident84.9Confident118 Ų11869 Ų6951%0.51333%0.326SS..EExtended strand (participates in β ladder)trans-94.9154.8168.2-57.8-176.3-179.8176.20109.4E282 F286 K287 T289E282-K284 PolarHBondContact O-N 3.2Å; K284-F286 PolarHBondContact O-N 2.87Å; K284-K287 WeakPolarHBondContact CB-O 3.34Å; K284-K287 PolarHBondContact N-O 3.27Å; K284-K287 VanDerWaalsContact N-O 3.1Å; K284-K287 PolarHBondContact O-N 2.86Å; K284-K287 VanDerWaalsContact O-O 3.13Å; K284-T289 HydrophobicContact CD-CG2 4.17Å; K284-T289 VanDerWaalsContact CE-OG1 3.25Å; K284-T289 WeakPolarHBondContact CE-OG1 3.46Å
285P70.1Confident85.3Confident125 Ų12568 Ų6881%0.81232%0.322SS*.THydrogen-bonded Turntrans-53.3-26.8-164.9-31.536.8000116.8
286F71.1Confident85.4Confident212 Ų21263.9 Ų63.993%0.9331%0.308SS*.THydrogen-bonded Turntrans-119.4-3.9-179-54.8-71000114.5K284K284-F286 PolarHBondContact O-N 2.87Å
287K76Confident85.4Confident163 Ų16363.2 Ų63.271%0.70930%0.301SS*.EExtended strand (participates in β ladder)trans-165.4139.6-178-162.4165.5-176.6172.40112.2K284K284-K287 WeakPolarHBondContact CB-O 3.34Å; K284-K287 PolarHBondContact N-O 3.27Å; K284-K287 VanDerWaalsContact N-O 3.1Å; K284-K287 PolarHBondContact O-N 2.86Å; K284-K287 VanDerWaalsContact O-O 3.13Å
288A79.4Confident85.2Confident46 Ų4663.7 Ų63.738%0.3830%0.303SS..EExtended strand (participates in β ladder)trans-75.2126.7165.600000110.5M281 E282M281-A288 HydrophobicContact CG-CB 3.94Å; M281-A288 HydrophobicContact SD-CB 4.22Å; E282-A288 WeakPolarHBondContact O-CA 3.36Å
289T86.6Confident84.9Confident44 Ų4468 Ų6827%0.2732%0.322SS..EExtended strand (participates in β ladder)trans-105.6134.9171.847.50000110.1E282 K284E282-T289 PolarHBondContact N-O 2.85Å; E282-T289 PolarHBondContact O-N 2.76Å; E282-T289 PolarHBondContact O-OG1 3.38Å; K284-T289 HydrophobicContact CD-CG2 4.17Å; K284-T289 VanDerWaalsContact CE-OG1 3.25Å; K284-T289 WeakPolarHBondContact CE-OG1 3.46Å
290W88.3Confident84.4Confident64 Ų6474.4 Ų74.424%0.24235%0.353CS..EExtended strand (participates in β ladder)trans-101.4109.6178.8-71.887.6000109.8F279 L280 M281 F339 K341 T358 Q360F279-W290 HydrophobicContact CB-CB 4.47Å; F279-W290 HydrophobicContact CB-CE3 3.98Å; F279-W290 WeakPolarHBondContact O-CZ3 3.4Å; L280-W290 WeakPolarHBondContact O-CA 3.48Å; M281-W290 HydrophobicContact CB-CD2 4.12Å; M281-W290 HydrophobicContact CB-CE3 3.97Å; M281-W290 HydrophobicContact CB-CH2 3.71Å; M281-W290 HydrophobicContact CB-CZ2 3.83Å; M281-W290 HydrophobicContact CB-CZ3 3.76Å; M281-W290 HydrophobicContact CG-CD2 4.33Å; M281-W290 HydrophobicContact CG-CH2 4.19Å; M281-W290 HydrophobicContact CG-CZ2 3.79Å; M281-W290 HydrophobicContact SD-CH2 4.28Å; M281-W290 HydrophobicContact SD-CZ2 3.76Å; W290-F339 HydrophobicContact CH2-CE1 4.06Å; W290-F339 AromaticContact CZ2-CE1 3.92Å; W290-F339 HydrophobicContact CZ2-CE1 3.92Å; W290-F339 HydrophobicContact CZ2-CZ 4.17Å; W290-K341 HydrophobicContact CH2-CB 4.47Å; W290-K341 HydrophobicContact CZ2-CB 4.12Å; W290-K341 HydrophobicContact CZ2-CG 3.76Å; W290-T358 HydrophobicContact CH2-CG2 4.05Å; W290-Q360 HydrophobicContact CE3-CB 4.1Å; W290-Q360 HydrophobicContact CH2-CB 4.26Å; W290-Q360 HydrophobicContact CZ3-CB 3.58Å
291T88.1Confident84.1Confident23 Ų2380.6 Ų80.614%0.14138%0.379CS..EExtended strand (participates in β ladder)trans-106.8133.7-172.2-64.70000110.2F279 L280 E282 Y293 Q308F279-T291 CarbonylContact C-O 3.57Å; F279-T291 VanDerWaalsContact CA-O 3.31Å; F279-T291 WeakPolarHBondContact CA-O 3.41Å; L280-T291 PolarHBondContact N-O 3.43Å; L280-T291 PolarHBondContact O-N 2.91Å; E282-T291 WeakPolarHBondContact OE1-CB 3.36Å; E282-T291 WeakPolarHBondContact OE1-CG2 3.44Å; E282-T291 PolarHBondContact OE1-OG1 3.28Å; E282-T291 PolarHBondContact OE2-OG1 3.25Å; T291-Y293 HydrophobicContact CG2-CD2 4.18Å; T291-Y293 HydrophobicContact CG2-CE2 3.42Å; T291-Y293 VanDerWaalsContact CG2-CE2 3.42Å; T291-Y293 VanDerWaalsContact O-CD2 3.29Å; T291-Y293 WeakPolarHBondContact O-CD2 3.32Å; T291-Q308 HydrophobicContact CG2-CG 4.02Å
292K90.4Very high84.1Confident55 Ų5583.9 Ų83.924%0.23939%0.39CS..EExtended strand (participates in β ladder)trans-85.8119.5-174.4-169.6179.8175.9-178.20111.2Y277 F279 F309Y277-K292 HydrophobicContact CD1-CD 4.26Å; Y277-K292 HydrophobicContact CD1-CG 4.09Å; Y277-K292 VanDerWaalsContact CG-CE 3.49Å; F279-K292 HydrophobicContact CD1-CB 3.91Å; F279-K292 HydrophobicContact CD1-CG 4.4Å; F279-K292 HydrophobicContact CE1-CB 3.68Å; F279-K292 HydrophobicContact CE1-CD 4.21Å; F279-K292 HydrophobicContact CE1-CG 4Å; F279-K292 HydrophobicContact CE2-CG 4.38Å; F279-K292 HydrophobicContact CZ-CB 4.2Å; F279-K292 HydrophobicContact CZ-CD 3.93Å; F279-K292 HydrophobicContact CZ-CG 3.99Å; K292-F309 PolarHBondContact O-N 2.69Å
293Y90.2Very high84.4Confident34 Ų3484 Ų8413%0.13339%0.391CS..EExtended strand (participates in β ladder)trans-116138.8174.4-66.3-94.9000109.9Y277 L278 L280 E282 T291 M306 L307 Q308Y277-Y293 WeakPolarHBondContact CA-O 3.15Å; L278-Y293 PolarHBondContact N-O 2.88Å; L278-Y293 PolarHBondContact O-N 3.35Å; L278-Y293 VanDerWaalsContact O-O 3.09Å; L280-Y293 HydrophobicContact CB-CD2 3.75Å; L280-Y293 HydrophobicContact CB-CE2 3.75Å; L280-Y293 HydrophobicContact CD2-CD2 4.43Å; L280-Y293 HydrophobicContact CD2-CE2 3.93Å; L280-Y293 HydrophobicContact CG-CE2 4.4Å; E282-Y293 PolarHBondContact OE1-OH 2.65Å; T291-Y293 HydrophobicContact CG2-CD2 4.18Å; T291-Y293 HydrophobicContact CG2-CE2 3.42Å; T291-Y293 VanDerWaalsContact CG2-CE2 3.42Å; T291-Y293 VanDerWaalsContact O-CD2 3.29Å; T291-Y293 WeakPolarHBondContact O-CD2 3.32Å; Y293-M306 HydrophobicContact CD1-CB 4Å; Y293-M306 HydrophobicContact CG-CB 4.47Å; Y293-L307 CarbonylContact C-O 3.25Å; Y293-L307 WeakPolarHBondContact CA-O 3.5Å; Y293-Q308 HydrophobicContact CD1-CB 3.88Å; Y293-Q308 HydrophobicContact CD1-CG 4.33Å; Y293-Q308 HydrophobicContact CE1-CB 3.65Å; Y293-Q308 HydrophobicContact CE1-CG 3.94Å
294Y90.6Very high85.2Confident69 Ų6975.6 Ų75.627%0.27135%0.354SS..EExtended strand (participates in β ladder)trans-81.1117.5160.3-171.4-96.4000107.7R275 Y277 T296 L307R275-Y294 HydrophobicContact CB-CE1 4.43Å; R275-Y294 WeakPolarHBondContact CD-OH 3.27Å; Y277-Y294 AromaticContact CD1-CD2 3.93Å; Y277-Y294 HydrophobicContact CD1-CD2 3.93Å; Y277-Y294 HydrophobicContact CD1-CG 4.49Å; Y277-Y294 HydrophobicContact CD2-CD2 4.31Å; Y277-Y294 AromaticContact CE1-CD2 3.72Å; Y277-Y294 HydrophobicContact CE1-CD2 3.72Å; Y277-Y294 HydrophobicContact CE1-CG 4.28Å; Y277-Y294 HydrophobicContact CE2-CD2 4.09Å; Y277-Y294 HydrophobicContact CG-CD2 4.23Å; Y277-Y294 AromaticContact CZ-CD2 3.8Å; Y294-T296 HydrophobicContact CD1-CG2 4.21Å; Y294-T296 HydrophobicContact CE1-CG2 3.85Å; Y294-L307 PolarHBondContact N-O 3.26Å; Y294-L307 PolarHBondContact O-N 2.81Å
295C91.6Very high86.1Confident0 Ų070.7 Ų70.70%033%0.334CS..EExtended strand (participates in β ladder)trans-112147.3-174.6-55.90000110.9R275 G276 L278 F304 T305 W370R275-C295 VanDerWaalsContact CA-O 3.29Å; R275-C295 WeakPolarHBondContact CA-O 3.43Å; G276-C295 PolarHBondContact N-O 3.08Å; G276-C295 PolarHBondContact O-N 3.39Å; L278-C295 HydrophobicContact CD1-CB 3.98Å; L278-C295 HydrophobicContact CG-CB 4.4Å; C295-F304 HydrophobicContact CB-CE2 3.92Å; C295-F304 HydrophobicContact CB-CZ 3.69Å; C295-T305 CarbonylContact C-O 3.49Å; C295-T305 WeakPolarHBondContact CA-O 3.45Å; C295-W370 HydrophobicContact CB-CH2 3.97Å; C295-W370 HydrophobicContact CB-CZ2 4.36Å
296T90.8Very high87Confident10 Ų1064.9 Ų64.96%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-132.7149.3171.790.10000110.8F272 K274 R275 Y294 F304 T305F272-T296 HydrophobicContact CD1-CG2 4.13Å; F272-T296 WeakPolarHBondContact CD1-OG1 3.5Å; F272-T296 HydrophobicContact CE1-CG2 4.04Å; F272-T296 WeakPolarHBondContact CE1-OG1 3.44Å; K274-T296 CarbonylContact O-C 3.36Å; R275-T296 HydrophobicContact CB-CG2 3.9Å; Y294-T296 HydrophobicContact CD1-CG2 4.21Å; Y294-T296 HydrophobicContact CE1-CG2 3.85Å; T296-F304 CarbonylContact O-C 3.53Å; T296-F304 WeakPolarHBondContact O-CA 3.41Å; T296-F304 WeakPolarHBondContact O-CD2 3.41Å; T296-T305 PolarHBondContact N-O 3.07Å; T296-T305 PolarHBondContact O-N 2.89Å; T296-T305 PolarHBondContact OG1-OG1 3.33Å
297F90Very high87.8Confident0 Ų056.6 Ų56.60%026%0.262CS..EExtended strand (participates in β ladder)trans-137.4133.6179.4-175.9-111.6000111.8F272 T273 K274 K299 R302 E303 F304 L329 W370 A373 M374F272-F297 CarbonylContact C-O 3.42Å; F272-F297 WeakPolarHBondContact CA-O 3.43Å; T273-F297 PolarHBondContact N-O 3.36Å; K274-F297 PolarHBondContact N-O 2.9Å; K274-F297 PolarHBondContact O-N 3.15Å; F297-K299 HydrophobicContact CD1-CB 4.48Å; F297-K299 HydrophobicContact CE1-CB 3.79Å; F297-K299 HydrophobicContact CE1-CG 4.45Å; F297-R302 HydrophobicContact CE2-CB 4.48Å; F297-R302 HydrophobicContact CZ-CG 4.42Å; F297-E303 CarbonylContact C-O 3.58Å; F297-E303 WeakPolarHBondContact CA-O 3.38Å; F297-E303 WeakPolarHBondContact CD2-O 3.46Å; F297-F304 HydrophobicContact CB-CD2 4.11Å; F297-F304 HydrophobicContact CD2-CB 4.04Å; F297-F304 HydrophobicContact CD2-CD2 4.05Å; F297-F304 HydrophobicContact CG-CD2 4.5Å; F297-L329 HydrophobicContact CE2-CB 3.86Å; F297-L329 HydrophobicContact CE2-CD2 3.72Å; F297-L329 HydrophobicContact CE2-CG 4.43Å; F297-L329 HydrophobicContact CZ-CD2 3.75Å; F297-W370 HydrophobicContact CB-CZ3 4.21Å; F297-A373 WeakPolarHBondContact CE1-O 3.5Å; F297-M374 HydrophobicContact CD1-CG 3.94Å; F297-M374 HydrophobicContact CD2-CG 4.34Å; F297-M374 HydrophobicContact CE1-CG 4.01Å; F297-M374 HydrophobicContact CE2-CG 4.4Å; F297-M374 HydrophobicContact CG-CG 4.11Å; F297-M374 HydrophobicContact CZ-CG 4.24Å
298K88.2Confident88.3Confident52 Ų5254.5 Ų54.523%0.22625%0.254CS..EExtended strand (participates in β ladder)trans-119.2101174.2-60176.9-168.6152.10110.1F272 Q300 K301 R302 E303F272-K298 HydrophobicContact CD1-CD 4.3Å; F272-K298 VanDerWaalsContact CD1-CE 3.44Å; F272-K298 HydrophobicContact CD1-CG 3.83Å; F272-K298 HydrophobicContact CG-CG 4.5Å; K298-Q300 VanDerWaalsContact C-N 3.28Å; K298-Q300 PolarHBondContact O-N 2.77Å; K298-K301 PolarHBondContact O-N 2.8Å; K298-R302 WeakPolarHBondContact O-CA 3.32Å; K298-R302 PolarHBondContact O-N 2.67Å; K298-E303 HydrophobicContact CB-CB 4.41Å; K298-E303 WeakPolarHBondContact CD-OE1 3.3Å; K298-E303 WeakPolarHBondContact CE-OE1 3.26Å; K298-E303 PolarHBondContact N-O 2.98Å; K298-E303 IonicContact NZ-OE1 3.12Å; K298-E303 PolarHBondContact NZ-OE1 3.08Å; K298-E303 PolarHBondContact O-N 2.67Å
299K84.8Confident88.2Confident92 Ų9255.1 Ų55.140%0.425%0.249SC..THydrogen-bonded Turntrans-55-38.9-175.7-179.6165.2170162.40113.6T273 F297 K301 R302 D375T273-K299 HydrophobicContact CG2-CB 3.88Å; T273-K299 HydrophobicContact CG2-CD 4.39Å; T273-K299 VanDerWaalsContact OG1-CB 3.25Å; T273-K299 WeakPolarHBondContact OG1-CB 3.16Å; T273-K299 PolarHBondContact OG1-N 3.25Å; F297-K299 HydrophobicContact CD1-CB 4.48Å; F297-K299 HydrophobicContact CE1-CB 3.79Å; F297-K299 HydrophobicContact CE1-CG 4.45Å; K299-K301 VanDerWaalsContact C-N 3.27Å; K299-K301 PolarHBondContact O-N 3.41Å; K299-R302 PolarHBondContact O-N 3.12Å; K299-D375 WeakPolarHBondContact CE-OD1 3.47Å; K299-D375 IonicContact NZ-OD1 3.54Å; K299-D375 PolarHBondContact NZ-OD1 3.22Å
300Q82.7Confident87.6Confident195 Ų19557.6 Ų57.691%0.91126%0.26SS*.THydrogen-bonded Turntrans-56.3-36.3177.1-68.6179.7-600113.8K298K298-Q300 VanDerWaalsContact C-N 3.28Å; K298-Q300 PolarHBondContact O-N 2.77Å
301K86.2Confident86.9Confident143 Ų14360 Ų6062%0.62227%0.274SS*.THydrogen-bonded Turntrans-101.7-10.4178.6-66-167.8176.8-169.50113.4K298 K299 E303K298-K301 PolarHBondContact O-N 2.8Å; K299-K301 VanDerWaalsContact C-N 3.27Å; K299-K301 PolarHBondContact O-N 3.41Å; K301-E303 HydrophobicContact CB-CB 3.78Å; K301-E303 PolarHBondContact O-N 2.92Å; K301-E303 VanDerWaalsContact O-N 3.15Å
302R88.4Confident86.3Confident98 Ų9866.4 Ų66.437%0.3730%0.304SS..THydrogen-bonded Turntrans49.525.4-159.9-67.4-171.3164-162.6-6113.7F297 K298 K299 F304 T328 L329 D375F297-R302 HydrophobicContact CE2-CB 4.48Å; F297-R302 HydrophobicContact CZ-CG 4.42Å; K298-R302 WeakPolarHBondContact O-CA 3.32Å; K298-R302 PolarHBondContact O-N 2.67Å; K299-R302 PolarHBondContact O-N 3.12Å; R302-F304 PolarHBondContact O-N 3.42Å; R302-T328 HydrophobicContact CB-CG2 4.25Å; R302-L329 HydrophobicContact CB-CB 4.36Å; R302-L329 PolarHBondContact O-N 3.4Å; R302-D375 IonicContact CZ-OD2 3.15Å; R302-D375 IonicContact NE-OD2 2.75Å; R302-D375 IonicContact NH2-OD2 3.83Å; R302-D375 PolarHBondContact NH2-OD2 3.25Å
303E90.7Very high85.1Confident44 Ų4467.7 Ų67.721%0.20631%0.314CS..EExtended strand (participates in β ladder)trans-74.8117.2178.3-177.5-172.510300108.8F297 K298 K301 T305F297-E303 CarbonylContact C-O 3.58Å; F297-E303 WeakPolarHBondContact CA-O 3.38Å; F297-E303 WeakPolarHBondContact CD2-O 3.46Å; K298-E303 HydrophobicContact CB-CB 4.41Å; K298-E303 WeakPolarHBondContact CD-OE1 3.3Å; K298-E303 WeakPolarHBondContact CE-OE1 3.26Å; K298-E303 PolarHBondContact N-O 2.98Å; K298-E303 IonicContact NZ-OE1 3.12Å; K298-E303 PolarHBondContact NZ-OE1 3.08Å; K298-E303 PolarHBondContact O-N 2.67Å; K301-E303 HydrophobicContact CB-CB 3.78Å; K301-E303 PolarHBondContact O-N 2.92Å; K301-E303 VanDerWaalsContact O-N 3.15Å; E303-T305 HydrophobicContact CG-CG2 4.2Å
304F92.4Very high83.7Confident0 Ų074 Ų740%034%0.344CS..EExtended strand (participates in β ladder)trans-110.8134.4171.1-173.1-105.9000108.7L278 C295 T296 F297 R302 M306 K326 L327 L347 F349 F359 W370 M374L278-F304 HydrophobicContact CD1-CE2 4.45Å; L278-F304 HydrophobicContact CD1-CZ 4.08Å; C295-F304 HydrophobicContact CB-CE2 3.92Å; C295-F304 HydrophobicContact CB-CZ 3.69Å; T296-F304 CarbonylContact O-C 3.53Å; T296-F304 WeakPolarHBondContact O-CA 3.41Å; T296-F304 WeakPolarHBondContact O-CD2 3.41Å; F297-F304 HydrophobicContact CB-CD2 4.11Å; F297-F304 HydrophobicContact CD2-CB 4.04Å; F297-F304 HydrophobicContact CD2-CD2 4.05Å; F297-F304 HydrophobicContact CG-CD2 4.5Å; R302-F304 PolarHBondContact O-N 3.42Å; F304-M306 HydrophobicContact CD1-CG 4Å; F304-M306 HydrophobicContact CE1-CG 3.47Å; F304-M306 VanDerWaalsContact CE1-CG 3.47Å; F304-M306 HydrophobicContact CE1-SD 3.88Å; F304-M306 HydrophobicContact CZ-CG 4.3Å; F304-K326 WeakPolarHBondContact O-CA 3.44Å; F304-L327 PolarHBondContact N-O 3.08Å; F304-L327 PolarHBondContact O-N 2.68Å; F304-L327 VanDerWaalsContact O-O 3.12Å; F304-L347 HydrophobicContact CE1-CD1 4.17Å; F304-L347 HydrophobicContact CE2-CD1 4.17Å; F304-L347 HydrophobicContact CZ-CD1 3.93Å; F304-F349 HydrophobicContact CB-CE1 3.86Å; F304-F349 AromaticContact CD1-CE1 3.55Å; F304-F349 HydrophobicContact CD1-CE1 3.55Å; F304-F349 AromaticContact CD1-CZ 3.48Å; F304-F349 HydrophobicContact CD1-CZ 3.48Å; F304-F349 VanDerWaalsContact CD1-CZ 3.48Å; F304-F349 HydrophobicContact CE1-CE1 4.33Å; F304-F349 AromaticContact CE1-CZ 3.82Å; F304-F349 HydrophobicContact CE1-CZ 3.82Å; F304-F349 AromaticContact CG-CE1 3.92Å; F304-F349 HydrophobicContact CG-CE1 3.92Å; F304-F349 HydrophobicContact CG-CZ 4.24Å; F304-F359 HydrophobicContact CE1-CE1 4.28Å; F304-F359 HydrophobicContact CE1-CE2 4.32Å; F304-F359 AromaticContact CE1-CZ 3.81Å; F304-F359 HydrophobicContact CE1-CZ 3.81Å; F304-F359 HydrophobicContact CZ-CE1 4.35Å; F304-F359 HydrophobicContact CZ-CZ 4.18Å; F304-W370 HydrophobicContact CE2-CZ3 4.26Å; F304-M374 HydrophobicContact CD2-CE 3.91Å; F304-M374 HydrophobicContact CD2-SD 4.44Å; F304-M374 HydrophobicContact CE2-CE 3.48Å; F304-M374 VanDerWaalsContact CE2-CE 3.48Å; F304-M374 HydrophobicContact CE2-SD 4.48Å; F304-M374 HydrophobicContact CZ-CE 4.38Å
305T91.2Very high82.1Confident16 Ų1677 Ų7710%0.09837%0.365CS..EExtended strand (participates in β ladder)trans-126.7143.1179.774.60000110.6C295 T296 E303 E325 K326C295-T305 CarbonylContact C-O 3.49Å; C295-T305 WeakPolarHBondContact CA-O 3.45Å; T296-T305 PolarHBondContact N-O 3.07Å; T296-T305 PolarHBondContact O-N 2.89Å; T296-T305 PolarHBondContact OG1-OG1 3.33Å; E303-T305 HydrophobicContact CG-CG2 4.2Å; T305-E325 CarbonylContact C-O 3.54Å; T305-E325 WeakPolarHBondContact CA-O 3.49Å; T305-K326 HydrophobicContact CG2-CB 4.38Å; T305-K326 HydrophobicContact CG2-CD 4.42Å; T305-K326 HydrophobicContact CG2-CG 3.88Å
306M90.4Very high80.4Confident3 Ų381.4 Ų81.42%0.01538%0.384CS..EExtended strand (participates in β ladder)trans-126.6127.3177.4-60.3-175.7-76.400111L280 Y293 F304 E325 L327 Y357 F359L280-M306 HydrophobicContact CD2-SD 4.45Å; Y293-M306 HydrophobicContact CD1-CB 4Å; Y293-M306 HydrophobicContact CG-CB 4.47Å; F304-M306 HydrophobicContact CD1-CG 4Å; F304-M306 HydrophobicContact CE1-CG 3.47Å; F304-M306 VanDerWaalsContact CE1-CG 3.47Å; F304-M306 HydrophobicContact CE1-SD 3.88Å; F304-M306 HydrophobicContact CZ-CG 4.3Å; M306-E325 HydrophobicContact CE-CB 4.24Å; M306-E325 HydrophobicContact CE-CG 4.21Å; M306-E325 WeakPolarHBondContact CE-OE2 3.39Å; M306-E325 PolarHBondContact N-O 3.04Å; M306-E325 PolarHBondContact O-N 2.98Å; M306-L327 HydrophobicContact CE-CD1 3.78Å; M306-Y357 HydrophobicContact CE-CE1 4.16Å; M306-F359 HydrophobicContact SD-CE1 3.69Å; M306-F359 HydrophobicContact SD-CZ 3.5Å; M306-F359 WeakPolarHBondContact SD-CZ 3.43Å
307L87.3Confident78.4Confident38 Ų3887 Ų8720%0.19942%0.418CS..EExtended strand (participates in β ladder)trans-121.9119171.8173.859.7000109.1Y293 Y294 F309 R322Y293-L307 CarbonylContact C-O 3.25Å; Y293-L307 WeakPolarHBondContact CA-O 3.5Å; Y294-L307 PolarHBondContact N-O 3.26Å; Y294-L307 PolarHBondContact O-N 2.81Å; L307-F309 PolarHBondContact O-N 3.3Å; L307-R322 HydrophobicContact CD1-CB 4.45Å; L307-R322 HydrophobicContact CD1-CG 4.48Å
308Q86.1Confident76.5Confident119 Ų11995.8 Ų95.856%0.55645%0.452SS*.EExtended strand (participates in β ladder)trans-68.3117.6176.4-161-172.629.600109.2T291 Y293T291-Q308 HydrophobicContact CG2-CG 4.02Å; Y293-Q308 HydrophobicContact CD1-CB 3.88Å; Y293-Q308 HydrophobicContact CD1-CG 4.33Å; Y293-Q308 HydrophobicContact CE1-CB 3.65Å; Y293-Q308 HydrophobicContact CE1-CG 3.94Å
309F76.7Confident74.7Confident59 Ų5998.4 Ų98.426%0.25947%0.474SS..  trans-144.2124.4-174.2-170.4-105.9000113.5Y277 K292 L307 Q311 F316Y277-F309 HydrophobicContact CE1-CD1 4.03Å; Y277-F309 WeakPolarHBondContact OH-CD1 3.28Å; K292-F309 PolarHBondContact O-N 2.69Å; L307-F309 PolarHBondContact O-N 3.3Å; F309-Q311 HydrophobicContact CD1-CG 4.17Å; F309-Q311 HydrophobicContact CE1-CG 3.75Å; F309-F316 HydrophobicContact CD2-CD2 4.31Å; F309-F316 AromaticContact CD2-CE2 3.79Å; F309-F316 HydrophobicContact CD2-CE2 3.79Å; F309-F316 AromaticContact CD2-CZ 3.91Å; F309-F316 HydrophobicContact CD2-CZ 3.91Å; F309-F316 AromaticContact CE2-CD2 3.74Å; F309-F316 HydrophobicContact CE2-CD2 3.74Å; F309-F316 AromaticContact CE2-CE2 3.65Å; F309-F316 HydrophobicContact CE2-CE2 3.65Å; F309-F316 HydrophobicContact CE2-CG 4.36Å; F309-F316 HydrophobicContact CE2-CZ 4.18Å
310N73.9Confident73.1Confident95 Ų95100.8 Ų100.851%0.50849%0.486SS..  trans-116.9117.9175.1-175.1-3.1000110.2M312 N313N310-M312 PolarHBondContact O-N 3.13Å; N310-M312 PolarHBondContact OD1-N 3.12Å; N310-N313 PolarHBondContact O-N 2.73Å
311Q73.4Confident71.5Confident114 Ų11495.9 Ų95.953%0.53348%0.479SS..THydrogen-bonded Turntrans-65.6-20.2-175.4-68163.1-72.500113.9F309F309-Q311 HydrophobicContact CD1-CG 4.17Å; F309-Q311 HydrophobicContact CE1-CG 3.75Å
312M76.2Confident70.2Confident159 Ų15995.3 Ų95.378%0.78347%0.473SS*.THydrogen-bonded Turntrans-89.9-1.6-178.5-125.675.699.700114.2N310N310-M312 PolarHBondContact O-N 3.13Å; N310-M312 PolarHBondContact OD1-N 3.12Å
313N65Low68.8Low82 Ų8298.3 Ų98.344%0.43950%0.496SS..  trans-102.197.2-174-166.310000110.6N310 N315 F316N310-N313 PolarHBondContact O-N 2.73Å; N313-N315 PolarHBondContact O-N 2.68Å; N313-F316 HydrophobicContact CB-CE2 4.21Å; N313-F316 WeakPolarHBondContact O-CD2 3.36Å
314H60.6Low67.9Low167 Ų16799.3 Ų99.377%0.77350%0.503SS*.THydrogen-bonded Turntrans-69.5-11.7-172.2-69.1-84.5000114.9F316H314-F316 PolarHBondContact O-N 2.84Å
315N58.2Low67.4Low131 Ų131102.2 Ų102.270%0.70152%0.517SS*.THydrogen-bonded Turntrans-79.222-172.9-66.6-1.2000115N313 T317N313-N315 PolarHBondContact O-N 2.68Å; N315-T317 PolarHBondContact O-N 3.08Å
316F55.4Low67.2Low93 Ų93107.8 Ų107.841%0.40854%0.539SS..  trans-81.455.2177.2-78.5-67.5000112.8F309 N313 H314F309-F316 HydrophobicContact CD2-CD2 4.31Å; F309-F316 AromaticContact CD2-CE2 3.79Å; F309-F316 HydrophobicContact CD2-CE2 3.79Å; F309-F316 AromaticContact CD2-CZ 3.91Å; F309-F316 HydrophobicContact CD2-CZ 3.91Å; F309-F316 AromaticContact CE2-CD2 3.74Å; F309-F316 HydrophobicContact CE2-CD2 3.74Å; F309-F316 AromaticContact CE2-CE2 3.65Å; F309-F316 HydrophobicContact CE2-CE2 3.65Å; F309-F316 HydrophobicContact CE2-CG 4.36Å; F309-F316 HydrophobicContact CE2-CZ 4.18Å; N313-F316 HydrophobicContact CB-CE2 4.21Å; N313-F316 WeakPolarHBondContact O-CD2 3.36Å; H314-F316 PolarHBondContact O-N 2.84Å
317T49.2Very low67.2Low127 Ų127108 Ų10878%0.77954%0.541SS*.  trans-99.314-173470000115.6N315N315-T317 PolarHBondContact O-N 3.08Å
318R49.2Very low67.4Low185 Ų185108 Ų10870%0.69854%0.542SS*.  trans-128.8134165.6-86.9-166.3178-138.85112.5E320R318-E320 WeakPolarHBondContact CD-OE2 3.37Å; R318-E320 IonicContact CZ-OE2 3.09Å; R318-E320 IonicContact NE-OE2 2.71Å; R318-E320 IonicContact NH1-OE2 3.67Å; R318-E320 PolarHBondContact NH1-OE2 2.83Å
319P49.7Very low67.6Low107 Ų107102.5 Ų102.570%0.69552%0.516SS*.SBendtrans-73.7-23170.4-18.932.7000114.6A321P319-A321 PolarHBondContact O-N 3Å
320E53.1Low68.1Low142 Ų142106.3 Ų106.366%0.66453%0.533SS*.SBendtrans-82.9-3.4-151.2-59.5165.3144.900116.2R318R318-E320 WeakPolarHBondContact CD-OE2 3.37Å; R318-E320 IonicContact CZ-OE2 3.09Å; R318-E320 IonicContact NE-OE2 2.71Å; R318-E320 IonicContact NH1-OE2 3.67Å; R318-E320 PolarHBondContact NH1-OE2 2.83Å
321A47.7Very low68.7Low91 Ų91103.1 Ų103.175%0.75252%0.519SS*.  trans-135.858.5-175.400000111.4P319P319-A321 PolarHBondContact O-N 3Å
322R58.5Low69.4Low132 Ų13298.2 Ų98.250%0.49850%0.497SS..  trans-109.593172.2-67.4-172.4-175.9-177.33.4110.1L307 D324L307-R322 HydrophobicContact CD1-CB 4.45Å; L307-R322 HydrophobicContact CD1-CG 4.48Å; R322-D324 PolarHBondContact O-N 2.89Å
323D59.8Low69.7Low160 Ų16096.4 Ų96.486%0.85649%0.486SS*.  trans-72.778.2166.8-68-36.1000109.5E325D323-E325 PolarHBondContact O-N 3.38Å
324D71.2Confident70.3Confident65 Ų6598.9 Ų98.935%0.34849%0.489SS..  trans-60.5104.1165.3-78.1-9.6000107.9R322 K326R322-D324 PolarHBondContact O-N 2.89Å; D324-K326 WeakPolarHBondContact O-CG 3.35Å; D324-K326 PolarHBondContact O-N 2.89Å; D324-K326 VanDerWaalsContact O-N 3.1Å
325E82Confident71.1Confident62 Ų6294 Ų9429%0.2946%0.464SS..EExtended strand (participates in β ladder)trans-71.4110.1177.3-169.4-178.2-171.700108.9T305 M306 D323 L327 K352T305-E325 CarbonylContact C-O 3.54Å; T305-E325 WeakPolarHBondContact CA-O 3.49Å; M306-E325 HydrophobicContact CE-CB 4.24Å; M306-E325 HydrophobicContact CE-CG 4.21Å; M306-E325 WeakPolarHBondContact CE-OE2 3.39Å; M306-E325 PolarHBondContact N-O 3.04Å; M306-E325 PolarHBondContact O-N 2.98Å; D323-E325 PolarHBondContact O-N 3.38Å; E325-L327 HydrophobicContact CG-CD1 4.33Å; E325-L327 HydrophobicContact CG-CD2 4.25Å; E325-L327 HydrophobicContact CG-CG 4.1Å; E325-K352 IonicContact OE1-NZ 2.71Å; E325-K352 PolarHBondContact OE1-NZ 3.2Å
326K87.8Confident71.2Confident132 Ų13291.1 Ų91.157%0.57446%0.459SS*.EExtended strand (participates in β ladder)trans-103.1122.6-179.8-52.3-177.1-173.9164.40109.4F304 T305 D324F304-K326 WeakPolarHBondContact O-CA 3.44Å; T305-K326 HydrophobicContact CG2-CB 4.38Å; T305-K326 HydrophobicContact CG2-CD 4.42Å; T305-K326 HydrophobicContact CG2-CG 3.88Å; D324-K326 WeakPolarHBondContact O-CG 3.35Å; D324-K326 PolarHBondContact O-N 2.89Å; D324-K326 VanDerWaalsContact O-N 3.1Å
327L90.6Very high71.4Confident9 Ų992.3 Ų92.35%0.04748%0.478CS..EExtended strand (participates in β ladder)trans-133.1146.7-176.6-60176.4000110.2F304 M306 E325 F349 E351F304-L327 PolarHBondContact N-O 3.08Å; F304-L327 PolarHBondContact O-N 2.68Å; F304-L327 VanDerWaalsContact O-O 3.12Å; M306-L327 HydrophobicContact CE-CD1 3.78Å; E325-L327 HydrophobicContact CG-CD1 4.33Å; E325-L327 HydrophobicContact CG-CD2 4.25Å; E325-L327 HydrophobicContact CG-CG 4.1Å; L327-F349 HydrophobicContact CB-CB 3.94Å; L327-F349 HydrophobicContact CB-CD1 3.44Å; L327-F349 VanDerWaalsContact CB-CD1 3.44Å; L327-F349 HydrophobicContact CB-CD2 4.37Å; L327-F349 HydrophobicContact CB-CE1 4Å; L327-F349 HydrophobicContact CB-CG 3.66Å; L327-F349 HydrophobicContact CD1-CB 4.16Å; L327-F349 HydrophobicContact CD1-CD1 4.1Å; L327-F349 HydrophobicContact CD1-CD2 3.49Å; L327-F349 VanDerWaalsContact CD1-CD2 3.49Å; L327-F349 HydrophobicContact CD1-CE1 4.4Å; L327-F349 HydrophobicContact CD1-CE2 3.81Å; L327-F349 HydrophobicContact CD1-CG 3.65Å; L327-F349 HydrophobicContact CD1-CZ 4.25Å; L327-F349 HydrophobicContact CG-CB 4.49Å; L327-F349 HydrophobicContact CG-CD1 4.42Å; L327-F349 HydrophobicContact CG-CG 4.24Å; L327-E351 HydrophobicContact CD2-CB 4.07Å; L327-E351 HydrophobicContact CD2-CG 4.33Å
328T91Very high72Confident38 Ų3895.3 Ų95.323%0.23348%0.484CS..EExtended strand (participates in β ladder)trans-92.7114.9176.3-48.80000109.3R302 F330 F349 K350 E351R302-T328 HydrophobicContact CB-CG2 4.25Å; T328-F330 PolarHBondContact O-N 2.75Å; T328-F349 WeakPolarHBondContact O-CA 3.37Å; T328-K350 HydrophobicContact CG2-CD 3.77Å; T328-K350 HydrophobicContact CG2-CG 4.29Å; T328-K350 PolarHBondContact O-N 3.09Å; T328-E351 WeakPolarHBondContact CB-OE1 3.45Å; T328-E351 PolarHBondContact N-OE1 3.2Å; T328-E351 PolarHBondContact N-OE2 3.26Å; T328-E351 PolarHBondContact OG1-OE1 2.91Å
329L89.8Confident73.1Confident2 Ų289.6 Ų89.61%0.0146%0.464CS..EExtended strand (participates in β ladder)trans-59.5125.3179.7-178.973000111.3F297 R302 L347 F349 M374F297-L329 HydrophobicContact CE2-CB 3.86Å; F297-L329 HydrophobicContact CE2-CD2 3.72Å; F297-L329 HydrophobicContact CE2-CG 4.43Å; F297-L329 HydrophobicContact CZ-CD2 3.75Å; R302-L329 HydrophobicContact CB-CB 4.36Å; R302-L329 PolarHBondContact O-N 3.4Å; L329-L347 HydrophobicContact CD1-CB 4.18Å; L329-L347 HydrophobicContact CD1-CD1 4.39Å; L329-L347 HydrophobicContact CD1-CD2 3.94Å; L329-L347 HydrophobicContact CD1-CG 4.4Å; L329-F349 HydrophobicContact CD1-CE1 4.17Å; L329-M374 HydrophobicContact CD1-SD 4.18Å; L329-M374 HydrophobicContact CD2-CB 3.66Å; L329-M374 HydrophobicContact CD2-CG 3.91Å; L329-M374 HydrophobicContact CD2-SD 3.92Å
330F87.8Confident74.2Confident139 Ų13991.9 Ų91.961%0.6147%0.465SS*.EExtended strand (participates in β ladder)trans-95.2-55.1172.6-175.2-98.3000111T328 T348 K350T328-F330 PolarHBondContact O-N 2.75Å; F330-T348 WeakPolarHBondContact CD1-OG1 3.19Å; F330-T348 PolarHBondContact N-O 2.8Å; F330-K350 HydrophobicContact CB-CG 4.22Å; F330-K350 HydrophobicContact CD2-CG 4.14Å
331S86.9Confident75.6Confident29 Ų2988.5 Ų88.520%0.20345%0.448CS..EExtended strand (participates in β ladder)trans-142147175.673.60000113.1L347 T348S331-L347 WeakPolarHBondContact O-CA 3.43Å; S331-T348 PolarHBondContact N-O 2.66Å; S331-T348 PolarHBondContact N-OG1 3.45Å; S331-T348 PolarHBondContact O-N 3.23Å; S331-T348 PolarHBondContact OG-OG1 3.02Å
332C87.8Confident77.5Confident11 Ų1193.1 Ų93.17%0.07445%0.447CS..EExtended strand (participates in β ladder)trans-115.5123.5165.1174.20000109.7L347 M374C332-L347 HydrophobicContact CB-CD2 3.57Å; C332-M374 HydrophobicContact CB-CB 3.71Å
333Q82.3Confident78.9Confident121 Ų12189.2 Ų89.257%0.56543%0.433SS*.EExtended strand (participates in β ladder)trans-123.8137.2-178.6-65.9-176.8-500111.3F345 D346Q333-F345 WeakPolarHBondContact O-CA 3.39Å; Q333-F345 WeakPolarHBondContact O-CB 3.4Å; Q333-D346 PolarHBondContact N-O 3.22Å; Q333-D346 PolarHBondContact O-N 2.88Å
334R78.7Confident80.4Confident133 Ų13381.9 Ų81.950%0.50240%0.395SS..EExtended strand (participates in β ladder)trans-76126.4171.8-177.7176.1171.3-175.2-7.4109I371 E378R334-I371 HydrophobicContact CB-CD1 4.01Å; R334-I371 HydrophobicContact CG-CD1 4.16Å; R334-E378 WeakPolarHBondContact CD-OE2 3.48Å; R334-E378 IonicContact CZ-OE1 2.65Å; R334-E378 IonicContact CZ-OE2 2.63Å; R334-E378 IonicContact NE-OE2 3.44Å; R334-E378 IonicContact NH1-OE1 3.65Å; R334-E378 PolarHBondContact NH1-OE1 3.46Å; R334-E378 IonicContact NH1-OE2 2.65Å; R334-E378 PolarHBondContact NH1-OE2 2.96Å
335R75.6Confident81.3Confident65 Ų6578.8 Ų78.825%0.24538%0.378CS..PPolyproline II helixtrans-75.6144.2173-175.1168.5-72.9-170.3-5110.5F339 D346 T358R335-F339 HydrophobicContact CG-CB 4Å; R335-F339 HydrophobicContact CG-CG 4.32Å; R335-D346 IonicContact CZ-OD1 3.17Å; R335-D346 IonicContact CZ-OD2 3.89Å; R335-D346 IonicContact NE-OD1 3.26Å; R335-D346 IonicContact NE-OD2 3.5Å; R335-D346 PolarHBondContact NE-OD2 3.2Å; R335-D346 IonicContact NH2-OD1 2.76Å; R335-D346 PolarHBondContact NH2-OD1 2.71Å; R335-D346 IonicContact NH2-OD2 2.63Å; R335-D346 PolarHBondContact NH2-OD2 2.71Å; R335-T358 PolarHBondContact NH2-OG1 3.02Å
336A61.5Low81.8Confident70 Ų7076.6 Ų76.658%0.57937%0.368SS*.PPolyproline II helixtrans-58.8154.2178.100000112.8E338 F339A336-E338 PolarHBondContact O-N 2.99Å; A336-E338 VanDerWaalsContact O-N 3.11Å; A336-F339 PolarHBondContact O-N 2.91Å
337S60Low81.9Confident118 Ų11870.3 Ų70.383%0.82534%0.341SS*.THydrogen-bonded Turntrans-70.4-8.5-169.9-145.30000115.1F339S337-F339 VanDerWaalsContact C-N 3.27Å; S337-F339 PolarHBondContact O-N 2.75Å
338E61.2Low81.9Confident191 Ų19171 Ų7189%0.89335%0.346SS*.THydrogen-bonded Turntrans-79-6.7179.4-61.4175.8164.800113.2A336A336-E338 PolarHBondContact O-N 2.99Å; A336-E338 VanDerWaalsContact O-N 3.11Å
339F72.1Confident82Confident64 Ų6469.3 Ų69.328%0.28134%0.335SS..SBendtrans-75.8130.6-179.3-168.9-111000112.5M281 W290 R335 A336 S337 K341 C344 T358M281-F339 HydrophobicContact SD-CZ 3.94Å; W290-F339 HydrophobicContact CH2-CE1 4.06Å; W290-F339 AromaticContact CZ2-CE1 3.92Å; W290-F339 HydrophobicContact CZ2-CE1 3.92Å; W290-F339 HydrophobicContact CZ2-CZ 4.17Å; R335-F339 HydrophobicContact CG-CB 4Å; R335-F339 HydrophobicContact CG-CG 4.32Å; A336-F339 PolarHBondContact O-N 2.91Å; S337-F339 VanDerWaalsContact C-N 3.27Å; S337-F339 PolarHBondContact O-N 2.75Å; F339-K341 HydrophobicContact CD1-CB 4.26Å; F339-K341 HydrophobicContact CE1-CB 4.04Å; F339-K341 HydrophobicContact CE1-CG 4.48Å; F339-K341 PolarHBondContact O-N 3.45Å; F339-C344 HydrophobicContact CD1-CB 3.87Å; F339-C344 HydrophobicContact CE1-CB 4.17Å; F339-T358 HydrophobicContact CE1-CG2 4.48Å
340E73.8Confident81.9Confident155 Ų15575.4 Ų75.472%0.72436%0.361SS*.SBendtrans-51.6-28.5-171.7-162-135.9132.200115.1
341K82.2Confident81.9Confident71 Ų7173.1 Ų73.131%0.30935%0.353SS..SBendtrans-105.2121178.9-60.2-48.3-174.2-156.90111.5W290 F339 C344W290-K341 HydrophobicContact CH2-CB 4.47Å; W290-K341 HydrophobicContact CZ2-CB 4.12Å; W290-K341 HydrophobicContact CZ2-CG 3.76Å; F339-K341 HydrophobicContact CD1-CB 4.26Å; F339-K341 HydrophobicContact CE1-CB 4.04Å; F339-K341 HydrophobicContact CE1-CG 4.48Å; F339-K341 PolarHBondContact O-N 3.45Å; K341-C344 PolarHBondContact O-SG 3.03Å
342R86.8Confident81.9Confident189 Ų18975.4 Ų75.471%0.71336%0.359SS*.THydrogen-bonded Turntrans-55.8151.9172.9-60.9-170-64.2-178.4-1.4111.9C344 Q360R342-C344 VanDerWaalsContact C-N 3.31Å; R342-C344 PolarHBondContact O-N 2.68Å; R342-Q360 PolarHBondContact O-NE2 3.17Å
343F89.1Confident81.5Confident49 Ų4980.1 Ų80.122%0.21539%0.389CS..THydrogen-bonded Turntrans63.929.6171-40.2-42.4000114.7Q360 A361 E364 H367F343-Q360 WeakPolarHBondContact O-CA 3.25Å; F343-A361 HydrophobicContact CB-CB 4.34Å; F343-A361 PolarHBondContact O-N 3.15Å; F343-E364 HydrophobicContact CD1-CB 4.02Å; F343-E364 HydrophobicContact CE1-CB 3.57Å; F343-E364 HydrophobicContact CE1-CG 4.25Å; F343-E364 HydrophobicContact CZ-CB 4.22Å; F343-H367 VanDerWaalsContact C-CD2 3.41Å; F343-H367 HydrophobicContact CB-CB 4.12Å; F343-H367 PolarHBondContact O-CD2 2.76Å
344C90.7Very high81.4Confident7 Ų778.1 Ų78.15%0.04740%0.401CS..EExtended strand (participates in β ladder)trans-87147.5176.1-65.80000113F339 K341 R342 T358 F359 H367F339-C344 HydrophobicContact CD1-CB 3.87Å; F339-C344 HydrophobicContact CE1-CB 4.17Å; K341-C344 PolarHBondContact O-SG 3.03Å; R342-C344 VanDerWaalsContact C-N 3.31Å; R342-C344 PolarHBondContact O-N 2.68Å; C344-T358 HydrophobicContact CB-CG2 4.19Å; C344-F359 CarbonylContact C-O 3.56Å; C344-F359 VanDerWaalsContact CA-O 3.23Å; C344-F359 WeakPolarHBondContact CA-O 3.46Å; C344-H367 PolarHBondContact O-NE2 3.26Å
345F90.3Very high81.9Confident0 Ų075.1 Ų75.10%040%0.398CS..EExtended strand (participates in β ladder)trans-150.1154.3174.462.4-72.4000109.2L278 Q333 L347 F359 A361 H367 W370 I371 M374L278-F345 HydrophobicContact CD1-CZ 3.78Å; L278-F345 HydrophobicContact CD2-CE1 3.77Å; L278-F345 HydrophobicContact CD2-CZ 3.77Å; L278-F345 HydrophobicContact CG-CZ 4.45Å; Q333-F345 WeakPolarHBondContact O-CA 3.39Å; Q333-F345 WeakPolarHBondContact O-CB 3.4Å; F345-L347 HydrophobicContact CD2-CD2 3.74Å; F345-L347 HydrophobicContact CD2-CG 4.17Å; F345-L347 HydrophobicContact CE2-CD1 4.14Å; F345-L347 HydrophobicContact CE2-CD2 3.81Å; F345-L347 HydrophobicContact CE2-CG 4.03Å; F345-F359 HydrophobicContact CD1-CB 4.29Å; F345-F359 WeakPolarHBondContact CD1-O 3.21Å; F345-F359 HydrophobicContact CE1-CB 3.79Å; F345-F359 HydrophobicContact CE2-CB 4.26Å; F345-F359 HydrophobicContact CZ-CB 3.78Å; F345-F359 PolarHBondContact N-O 3.3Å; F345-F359 PolarHBondContact O-N 3.44Å; F345-A361 HydrophobicContact CE1-CB 4.11Å; F345-H367 AromaticContact CD1-CD2 3.73Å; F345-W370 HydrophobicContact CE1-CB 4.23Å; F345-W370 HydrophobicContact CE1-CG 4.5Å; F345-W370 HydrophobicContact CE2-CB 4.11Å; F345-W370 HydrophobicContact CZ-CB 3.71Å; F345-W370 AromaticContact CZ-CG 3.96Å; F345-W370 HydrophobicContact CZ-CG 3.96Å; F345-I371 HydrophobicContact CB-CD1 4.31Å; F345-I371 HydrophobicContact CB-CG1 4.29Å; F345-I371 HydrophobicContact CG-CG1 4.48Å; F345-M374 HydrophobicContact CE2-CE 4.07Å
346D90.9Very high82.4Confident16 Ų1675.9 Ų75.99%0.08641%0.409CS..EExtended strand (participates in β ladder)trans-112.2126.7-173.9-78.1-50.1000110.5Q333 R335 V356 T358Q333-D346 PolarHBondContact N-O 3.22Å; Q333-D346 PolarHBondContact O-N 2.88Å; R335-D346 IonicContact CZ-OD1 3.17Å; R335-D346 IonicContact CZ-OD2 3.89Å; R335-D346 IonicContact NE-OD1 3.26Å; R335-D346 IonicContact NE-OD2 3.5Å; R335-D346 PolarHBondContact NE-OD2 3.2Å; R335-D346 IonicContact NH2-OD1 2.76Å; R335-D346 PolarHBondContact NH2-OD1 2.71Å; R335-D346 IonicContact NH2-OD2 2.63Å; R335-D346 PolarHBondContact NH2-OD2 2.71Å; D346-V356 HydrophobicContact CB-CG1 3.62Å; D346-T358 VanDerWaalsContact OD1-CA 3.25Å; D346-T358 WeakPolarHBondContact OD1-CA 3.38Å; D346-T358 VanDerWaalsContact OD1-CB 3.25Å; D346-T358 WeakPolarHBondContact OD1-CB 3.37Å; D346-T358 PolarHBondContact OD1-OG1 3.25Å
347L91.6Very high83.8Confident0 Ų074 Ų740%039%0.388CS..EExtended strand (participates in β ladder)trans-108.3146.7174.1-55.7-173000110.4F304 L329 S331 C332 F345 F349 Y357 F359 M374F304-L347 HydrophobicContact CE1-CD1 4.17Å; F304-L347 HydrophobicContact CE2-CD1 4.17Å; F304-L347 HydrophobicContact CZ-CD1 3.93Å; L329-L347 HydrophobicContact CD1-CB 4.18Å; L329-L347 HydrophobicContact CD1-CD1 4.39Å; L329-L347 HydrophobicContact CD1-CD2 3.94Å; L329-L347 HydrophobicContact CD1-CG 4.4Å; S331-L347 WeakPolarHBondContact O-CA 3.43Å; C332-L347 HydrophobicContact CB-CD2 3.57Å; F345-L347 HydrophobicContact CD2-CD2 3.74Å; F345-L347 HydrophobicContact CD2-CG 4.17Å; F345-L347 HydrophobicContact CE2-CD1 4.14Å; F345-L347 HydrophobicContact CE2-CD2 3.81Å; F345-L347 HydrophobicContact CE2-CG 4.03Å; L347-F349 HydrophobicContact CB-CE1 4.41Å; L347-F349 HydrophobicContact CB-CE2 4.01Å; L347-F349 HydrophobicContact CB-CZ 3.76Å; L347-F349 HydrophobicContact CD1-CE1 4.42Å; L347-F349 HydrophobicContact CD1-CZ 3.85Å; L347-F349 HydrophobicContact CG-CZ 4.47Å; L347-Y357 PolarHBondContact N-O 3.15Å; L347-Y357 PolarHBondContact O-N 3.2Å; L347-F359 HydrophobicContact CB-CD2 4.2Å; L347-F359 HydrophobicContact CB-CE2 4Å; L347-F359 HydrophobicContact CD1-CD2 3.67Å; L347-F359 HydrophobicContact CD1-CE2 3.6Å; L347-F359 HydrophobicContact CD1-CZ 4.49Å; L347-F359 HydrophobicContact CG-CD2 3.74Å; L347-F359 HydrophobicContact CG-CE2 3.91Å; L347-M374 HydrophobicContact CD1-CE 3.85Å; L347-M374 HydrophobicContact CD1-SD 3.66Å; L347-M374 HydrophobicContact CD2-CE 4.48Å; L347-M374 HydrophobicContact CD2-SD 3.59Å; L347-M374 VanDerWaalsContact CD2-SD 3.59Å; L347-M374 HydrophobicContact CG-SD 4.31Å
348T90.6Very high85.3Confident24 Ų2468.6 Ų68.615%0.14735%0.35CS..EExtended strand (participates in β ladder)trans-125.2150.6166.168.10000109.6F330 S331 V356F330-T348 WeakPolarHBondContact CD1-OG1 3.19Å; F330-T348 PolarHBondContact N-O 2.8Å; S331-T348 PolarHBondContact N-O 2.66Å; S331-T348 PolarHBondContact N-OG1 3.45Å; S331-T348 PolarHBondContact O-N 3.23Å; S331-T348 PolarHBondContact OG-OG1 3.02Å; T348-V356 HydrophobicContact CG2-CG2 4.18Å
349F91.5Very high86.9Confident2 Ų259.5 Ų59.51%0.00931%0.307CS..EExtended strand (participates in β ladder)trans-128.8145.9-172.3-59.6-73000111.2F304 L327 T328 L329 L347 E351 K352 Y357 F359F304-F349 HydrophobicContact CB-CE1 3.86Å; F304-F349 AromaticContact CD1-CE1 3.55Å; F304-F349 HydrophobicContact CD1-CE1 3.55Å; F304-F349 AromaticContact CD1-CZ 3.48Å; F304-F349 HydrophobicContact CD1-CZ 3.48Å; F304-F349 VanDerWaalsContact CD1-CZ 3.48Å; F304-F349 HydrophobicContact CE1-CE1 4.33Å; F304-F349 AromaticContact CE1-CZ 3.82Å; F304-F349 HydrophobicContact CE1-CZ 3.82Å; F304-F349 AromaticContact CG-CE1 3.92Å; F304-F349 HydrophobicContact CG-CE1 3.92Å; F304-F349 HydrophobicContact CG-CZ 4.24Å; L327-F349 HydrophobicContact CB-CB 3.94Å; L327-F349 HydrophobicContact CB-CD1 3.44Å; L327-F349 VanDerWaalsContact CB-CD1 3.44Å; L327-F349 HydrophobicContact CB-CD2 4.37Å; L327-F349 HydrophobicContact CB-CE1 4Å; L327-F349 HydrophobicContact CB-CG 3.66Å; L327-F349 HydrophobicContact CD1-CB 4.16Å; L327-F349 HydrophobicContact CD1-CD1 4.1Å; L327-F349 HydrophobicContact CD1-CD2 3.49Å; L327-F349 VanDerWaalsContact CD1-CD2 3.49Å; L327-F349 HydrophobicContact CD1-CE1 4.4Å; L327-F349 HydrophobicContact CD1-CE2 3.81Å; L327-F349 HydrophobicContact CD1-CG 3.65Å; L327-F349 HydrophobicContact CD1-CZ 4.25Å; L327-F349 HydrophobicContact CG-CB 4.49Å; L327-F349 HydrophobicContact CG-CD1 4.42Å; L327-F349 HydrophobicContact CG-CG 4.24Å; T328-F349 WeakPolarHBondContact O-CA 3.37Å; L329-F349 HydrophobicContact CD1-CE1 4.17Å; L347-F349 HydrophobicContact CB-CE1 4.41Å; L347-F349 HydrophobicContact CB-CE2 4.01Å; L347-F349 HydrophobicContact CB-CZ 3.76Å; L347-F349 HydrophobicContact CD1-CE1 4.42Å; L347-F349 HydrophobicContact CD1-CZ 3.85Å; L347-F349 HydrophobicContact CG-CZ 4.47Å; F349-E351 VanDerWaalsContact C-N 3.26Å; F349-E351 PolarHBondContact O-N 2.87Å; F349-K352 CarbonylContact O-C 3.57Å; F349-K352 PolarHBondContact O-N 3.04Å; F349-Y357 AromaticContact CD2-CD2 3.82Å; F349-Y357 HydrophobicContact CD2-CD2 3.82Å; F349-Y357 HydrophobicContact CD2-CE2 4.08Å; F349-Y357 HydrophobicContact CD2-CG 4.18Å; F349-Y357 HydrophobicContact CE2-CD1 4.16Å; F349-Y357 AromaticContact CE2-CD2 3.92Å; F349-Y357 HydrophobicContact CE2-CD2 3.92Å; F349-Y357 HydrophobicContact CE2-CE2 4.44Å; F349-Y357 AromaticContact CE2-CG 3.78Å; F349-Y357 HydrophobicContact CE2-CG 3.78Å; F349-F359 HydrophobicContact CE2-CE2 4.32Å; F349-F359 HydrophobicContact CZ-CE2 4.27Å
350K89Confident87.8Confident130 Ų13058.6 Ų58.657%0.56530%0.303SS*.THydrogen-bonded Turntrans-63.4-32.5-175.9-68.3-172.4-178.2179.80113.1T328 F330 K352T328-K350 HydrophobicContact CG2-CD 3.77Å; T328-K350 HydrophobicContact CG2-CG 4.29Å; T328-K350 PolarHBondContact O-N 3.09Å; F330-K350 HydrophobicContact CB-CG 4.22Å; F330-K350 HydrophobicContact CD2-CG 4.14Å; K350-K352 VanDerWaalsContact C-N 3.27Å; K350-K352 PolarHBondContact O-N 3.34Å
351E87.4Confident88.7Confident91 Ų9151.3 Ų51.343%0.42527%0.27SS..THydrogen-bonded Turntrans-76.3-17.2-178.1-57.275.8-16800112.3L327 T328 F349L327-E351 HydrophobicContact CD2-CB 4.07Å; L327-E351 HydrophobicContact CD2-CG 4.33Å; T328-E351 WeakPolarHBondContact CB-OE1 3.45Å; T328-E351 PolarHBondContact N-OE1 3.2Å; T328-E351 PolarHBondContact N-OE2 3.26Å; T328-E351 PolarHBondContact OG1-OE1 2.91Å; F349-E351 VanDerWaalsContact C-N 3.26Å; F349-E351 PolarHBondContact O-N 2.87Å
352K85.9Confident89.1Confident76 Ų7652.6 Ų52.633%0.3328%0.279SS..SBendtrans-134.961.1-176.2-67-179.7175.21760110.8E325 F349 K350 V355 Y357E325-K352 IonicContact OE1-NZ 2.71Å; E325-K352 PolarHBondContact OE1-NZ 3.2Å; F349-K352 CarbonylContact O-C 3.57Å; F349-K352 PolarHBondContact O-N 3.04Å; K350-K352 VanDerWaalsContact C-N 3.27Å; K350-K352 PolarHBondContact O-N 3.34Å; K352-V355 HydrophobicContact CB-CB 4.2Å; K352-V355 HydrophobicContact CB-CG2 4.17Å; K352-V355 PolarHBondContact O-N 2.94Å; K352-V355 VanDerWaalsContact O-N 3.14Å; K352-Y357 HydrophobicContact CD-CE2 4.14Å; K352-Y357 WeakPolarHBondContact CD-OH 3.16Å; K352-Y357 PolarHBondContact NZ-OH 3.36Å; K352-Y357 VanDerWaalsContact NZ-OH 3.11Å
353P81.2Confident89.2Confident110 Ų11045.8 Ų45.871%0.71426%0.261SS*.THydrogen-bonded Turntrans-59.3140.1-178.727-34.9000111V355P353-V355 PolarHBondContact O-N 2.9Å
354G79.6Confident89.2Confident79 Ų7948.2 Ų48.281%0.81427%0.273SS*.THydrogen-bonded Turntrans80.3-13.6-175.600000115.4
355V88Confident88.9Confident71 Ų7154 Ų5443%0.4330%0.297SS..  trans-89.4117.6176.1-170.60000110.3K352 P353 Y357K352-V355 HydrophobicContact CB-CB 4.2Å; K352-V355 HydrophobicContact CB-CG2 4.17Å; K352-V355 PolarHBondContact O-N 2.94Å; K352-V355 VanDerWaalsContact O-N 3.14Å; P353-V355 PolarHBondContact O-N 2.9Å; V355-Y357 HydrophobicContact CB-CD2 4.42Å; V355-Y357 HydrophobicContact CB-CE2 4.1Å; V355-Y357 HydrophobicContact CG1-CD2 3.81Å; V355-Y357 HydrophobicContact CG1-CE2 3.51Å
356V87.6Confident88.9Confident81 Ų8155.1 Ų55.149%0.49130%0.304SS..  trans-97.4116.1177.1-174.80000110D346 T348D346-V356 HydrophobicContact CB-CG1 3.62Å; T348-V356 HydrophobicContact CG2-CG2 4.18Å
357Y91.2Very high88.8Confident31 Ų3155.1 Ų55.112%0.12230%0.303CS..EExtended strand (participates in β ladder)trans-96.2110.1179.6-79.6-114.7000110.5L280 M306 L347 F349 K352 V355 F359L280-Y357 HydrophobicContact CD1-CD1 3.67Å; L280-Y357 HydrophobicContact CD1-CG 4.29Å; L280-Y357 HydrophobicContact CD2-CD1 3.85Å; L280-Y357 HydrophobicContact CD2-CE1 4.08Å; L280-Y357 HydrophobicContact CG-CD1 4.44Å; M306-Y357 HydrophobicContact CE-CE1 4.16Å; L347-Y357 PolarHBondContact N-O 3.15Å; L347-Y357 PolarHBondContact O-N 3.2Å; F349-Y357 AromaticContact CD2-CD2 3.82Å; F349-Y357 HydrophobicContact CD2-CD2 3.82Å; F349-Y357 HydrophobicContact CD2-CE2 4.08Å; F349-Y357 HydrophobicContact CD2-CG 4.18Å; F349-Y357 HydrophobicContact CE2-CD1 4.16Å; F349-Y357 AromaticContact CE2-CD2 3.92Å; F349-Y357 HydrophobicContact CE2-CD2 3.92Å; F349-Y357 HydrophobicContact CE2-CE2 4.44Å; F349-Y357 AromaticContact CE2-CG 3.78Å; F349-Y357 HydrophobicContact CE2-CG 3.78Å; K352-Y357 HydrophobicContact CD-CE2 4.14Å; K352-Y357 WeakPolarHBondContact CD-OH 3.16Å; K352-Y357 PolarHBondContact NZ-OH 3.36Å; K352-Y357 VanDerWaalsContact NZ-OH 3.11Å; V355-Y357 HydrophobicContact CB-CD2 4.42Å; V355-Y357 HydrophobicContact CB-CE2 4.1Å; V355-Y357 HydrophobicContact CG1-CD2 3.81Å; V355-Y357 HydrophobicContact CG1-CE2 3.51Å; Y357-F359 HydrophobicContact CD1-CE2 4.34Å; Y357-F359 HydrophobicContact CD1-CZ 4.15Å; Y357-F359 HydrophobicContact CG-CE2 4.38Å; Y357-F359 WeakPolarHBondContact O-CD2 3.39Å
358T91.2Very high88.6Confident4 Ų461.7 Ų61.73%0.02533%0.328CS..EExtended strand (participates in β ladder)trans-86.8115.5177.4-49.40000111.3M281 W290 R335 F339 C344 D346M281-T358 PolarHBondContact N-O 3.15Å; W290-T358 HydrophobicContact CH2-CG2 4.05Å; R335-T358 PolarHBondContact NH2-OG1 3.02Å; F339-T358 HydrophobicContact CE1-CG2 4.48Å; C344-T358 HydrophobicContact CB-CG2 4.19Å; D346-T358 VanDerWaalsContact OD1-CA 3.25Å; D346-T358 WeakPolarHBondContact OD1-CA 3.38Å; D346-T358 VanDerWaalsContact OD1-CB 3.25Å; D346-T358 WeakPolarHBondContact OD1-CB 3.37Å; D346-T358 PolarHBondContact OD1-OG1 3.25Å
359F93.4Very high88.4Confident0 Ų066.5 Ų66.50%034%0.344CS..EExtended strand (participates in β ladder)trans-106145.5173.8-65.2-89.4000111.6L278 F279 L280 F304 M306 C344 F345 L347 F349 Y357L278-F359 HydrophobicContact CB-CB 4.41Å; L278-F359 HydrophobicContact CB-CD1 3.85Å; L278-F359 HydrophobicContact CD1-CB 4.14Å; L278-F359 HydrophobicContact CD1-CD1 3.91Å; L278-F359 HydrophobicContact CD1-CG 4.11Å; L278-F359 HydrophobicContact CG-CD1 4.5Å; F279-F359 CarbonylContact O-C 3.37Å; F279-F359 VanDerWaalsContact O-CA 3.3Å; F279-F359 WeakPolarHBondContact O-CA 3.31Å; L280-F359 HydrophobicContact CB-CD1 4.05Å; L280-F359 HydrophobicContact CB-CE1 3.87Å; L280-F359 HydrophobicContact CD1-CD1 4.25Å; L280-F359 HydrophobicContact CD1-CE1 3.93Å; L280-F359 HydrophobicContact CD1-CE2 4.22Å; L280-F359 HydrophobicContact CD1-CZ 3.91Å; L280-F359 HydrophobicContact CD2-CE1 4.42Å; L280-F359 HydrophobicContact CG-CE1 4.28Å; F304-F359 HydrophobicContact CE1-CE1 4.28Å; F304-F359 HydrophobicContact CE1-CE2 4.32Å; F304-F359 AromaticContact CE1-CZ 3.81Å; F304-F359 HydrophobicContact CE1-CZ 3.81Å; F304-F359 HydrophobicContact CZ-CE1 4.35Å; F304-F359 HydrophobicContact CZ-CZ 4.18Å; M306-F359 HydrophobicContact SD-CE1 3.69Å; M306-F359 HydrophobicContact SD-CZ 3.5Å; M306-F359 WeakPolarHBondContact SD-CZ 3.43Å; C344-F359 CarbonylContact C-O 3.56Å; C344-F359 VanDerWaalsContact CA-O 3.23Å; C344-F359 WeakPolarHBondContact CA-O 3.46Å; F345-F359 HydrophobicContact CD1-CB 4.29Å; F345-F359 WeakPolarHBondContact CD1-O 3.21Å; F345-F359 HydrophobicContact CE1-CB 3.79Å; F345-F359 HydrophobicContact CE2-CB 4.26Å; F345-F359 HydrophobicContact CZ-CB 3.78Å; F345-F359 PolarHBondContact N-O 3.3Å; F345-F359 PolarHBondContact O-N 3.44Å; L347-F359 HydrophobicContact CB-CD2 4.2Å; L347-F359 HydrophobicContact CB-CE2 4Å; L347-F359 HydrophobicContact CD1-CD2 3.67Å; L347-F359 HydrophobicContact CD1-CE2 3.6Å; L347-F359 HydrophobicContact CD1-CZ 4.49Å; L347-F359 HydrophobicContact CG-CD2 3.74Å; L347-F359 HydrophobicContact CG-CE2 3.91Å; F349-F359 HydrophobicContact CE2-CE2 4.32Å; F349-F359 HydrophobicContact CZ-CE2 4.27Å; Y357-F359 HydrophobicContact CD1-CE2 4.34Å; Y357-F359 HydrophobicContact CD1-CZ 4.15Å; Y357-F359 HydrophobicContact CG-CE2 4.38Å; Y357-F359 WeakPolarHBondContact O-CD2 3.39Å
360Q92.6Very high88.3Confident44 Ų4466.4 Ų66.421%0.20634%0.344CS..EExtended strand (participates in β ladder)trans-109.2127.1168.9170.4172.859.200110L278 F279 W290 R342 F343L278-Q360 WeakPolarHBondContact CA-O 3.4Å; L278-Q360 WeakPolarHBondContact CD2-O 3.49Å; F279-Q360 HydrophobicContact CB-CB 4.29Å; F279-Q360 PolarHBondContact N-O 3.03Å; F279-Q360 PolarHBondContact O-N 3.39Å; W290-Q360 HydrophobicContact CE3-CB 4.1Å; W290-Q360 HydrophobicContact CH2-CB 4.26Å; W290-Q360 HydrophobicContact CZ3-CB 3.58Å; R342-Q360 PolarHBondContact O-NE2 3.17Å; F343-Q360 WeakPolarHBondContact O-CA 3.25Å
361A92.4Very high88.3Confident2 Ų261 Ų612%0.01732%0.32CS..  trans-85.7160.5172.800000112.5L278 F343 F345 S363 D366 H367L278-A361 HydrophobicContact CD2-CB 4.07Å; F343-A361 HydrophobicContact CB-CB 4.34Å; F343-A361 PolarHBondContact O-N 3.15Å; F345-A361 HydrophobicContact CE1-CB 4.11Å; A361-S363 VanDerWaalsContact C-N 3.31Å; A361-S363 PolarHBondContact O-N 2.96Å; A361-D366 HydrophobicContact CB-CB 4.37Å; A361-H367 HydrophobicContact CB-CB 3.85Å
362L91.1Very high88.1Confident98 Ų9860.7 Ų60.751%0.51333%0.329SS..SBendtrans-73.4-20.5-172.1-56.4-178.9000114F279 D366F279-L362 HydrophobicContact CD2-CD2 4.37Å; F279-L362 HydrophobicContact CE2-CD2 3.92Å; L362-D366 PolarHBondContact N-OD2 3.3Å
363S89Confident88.1Confident47 Ų4757.6 Ų57.633%0.32932%0.317SS..SBendtrans-162.3167179.563.90000110.7A361 K365 D366 H367A361-S363 VanDerWaalsContact C-N 3.31Å; A361-S363 PolarHBondContact O-N 2.96Å; S363-K365 PolarHBondContact O-N 2.94Å; S363-D366 PolarHBondContact O-N 3.08Å; S363-D366 VanDerWaalsContact O-N 3.13Å; S363-D366 WeakPolarHBondContact OG-CB 3.04Å; S363-D366 PolarHBondContact OG-N 3.37Å; S363-D366 VanDerWaalsContact OG-N 3.12Å; S363-H367 WeakPolarHBondContact O-CB 3.49Å; S363-H367 PolarHBondContact O-N 2.88Å
364E87.8Confident88.5Confident100 Ų10052.5 Ų52.547%0.46728%0.284SS..Hα-helixtrans-57.2-35.9172.8-163.8-164.6133.300113F343 R368F343-E364 HydrophobicContact CD1-CB 4.02Å; F343-E364 HydrophobicContact CE1-CB 3.57Å; F343-E364 HydrophobicContact CE1-CG 4.25Å; F343-E364 HydrophobicContact CZ-CB 4.22Å; E364-R368 VanDerWaalsContact CD-NH2 3.33Å; E364-R368 PolarHBondContact O-N 3.19Å; E364-R368 IonicContact OE1-CZ 3.38Å; E364-R368 IonicContact OE1-NH1 2.6Å; E364-R368 PolarHBondContact OE1-NH1 3.43Å; E364-R368 IonicContact OE1-NH2 2.68Å; E364-R368 PolarHBondContact OE1-NH2 2.77Å
365K85.3Confident88.4Confident127 Ų12751.7 Ų51.755%0.55226%0.261SS*.Hα-helixtrans-68.9-42176.1-171.4172.3-177.2175.90111S363 Y369S363-K365 PolarHBondContact O-N 2.94Å; K365-Y369 HydrophobicContact CD-CE2 4.16Å; K365-Y369 WeakPolarHBondContact CE-OH 3.5Å; K365-Y369 HydrophobicContact CG-CD2 4.16Å; K365-Y369 HydrophobicContact CG-CE2 3.61Å; K365-Y369 WeakPolarHBondContact O-CD2 3.06Å; K365-Y369 PolarHBondContact O-N 3.33Å; K365-Y369 VanDerWaalsContact O-N 3.17Å
366D89.6Confident87.2Confident25 Ų2548.9 Ų48.913%0.13425%0.246CC..Hα-helixtrans-67.7-39.2176.4-170.251.8000112.4K274 A361 L362 S363 Y369 W370K274-D366 WeakPolarHBondContact CE-OD1 3.26Å; K274-D366 IonicContact NZ-OD1 2.85Å; K274-D366 PolarHBondContact NZ-OD1 3.44Å; A361-D366 HydrophobicContact CB-CB 4.37Å; L362-D366 PolarHBondContact N-OD2 3.3Å; S363-D366 PolarHBondContact O-N 3.08Å; S363-D366 VanDerWaalsContact O-N 3.13Å; S363-D366 WeakPolarHBondContact OG-CB 3.04Å; S363-D366 PolarHBondContact OG-N 3.37Å; S363-D366 VanDerWaalsContact OG-N 3.12Å; D366-Y369 PolarHBondContact O-N 3.32Å; D366-W370 PolarHBondContact O-N 2.74Å; D366-W370 PolarHBondContact OD2-NE1 3.01Å
367H89Confident85.3Confident15 Ų1551.3 Ų51.37%0.06926%0.261CS..Hα-helixtrans-58.4-53.1174.5-178-116.4000112.1F343 C344 F345 A361 S363 Y369 W370 I371F343-H367 VanDerWaalsContact C-CD2 3.41Å; F343-H367 HydrophobicContact CB-CB 4.12Å; F343-H367 PolarHBondContact O-CD2 2.76Å; C344-H367 PolarHBondContact O-NE2 3.26Å; F345-H367 AromaticContact CD1-CD2 3.73Å; A361-H367 HydrophobicContact CB-CB 3.85Å; S363-H367 WeakPolarHBondContact O-CB 3.49Å; S363-H367 PolarHBondContact O-N 2.88Å; H367-Y369 VanDerWaalsContact C-N 3.28Å; H367-Y369 PolarHBondContact O-N 3.3Å; H367-W370 PolarHBondContact O-N 2.77Å; H367-W370 VanDerWaalsContact O-N 3.08Å; H367-I371 VanDerWaalsContact CE1-CD1 3.46Å; H367-I371 WeakPolarHBondContact CE1-CD1 3.45Å; H367-I371 PolarHBondContact O-N 2.77Å
368R86.3Confident82.7Confident138 Ų13855.7 Ų55.752%0.52128%0.283SS..Hα-helixtrans-56.9-41.1174.3-78.4-173.2-71.6-124.5-13.9112.1E364 S372E364-R368 VanDerWaalsContact CD-NH2 3.33Å; E364-R368 PolarHBondContact O-N 3.19Å; E364-R368 IonicContact OE1-CZ 3.38Å; E364-R368 IonicContact OE1-NH1 2.6Å; E364-R368 PolarHBondContact OE1-NH1 3.43Å; E364-R368 IonicContact OE1-NH2 2.68Å; E364-R368 PolarHBondContact OE1-NH2 2.77Å; R368-S372 WeakPolarHBondContact O-CB 3.49Å; R368-S372 PolarHBondContact O-N 2.95Å
369Y86.8Confident79.8Confident126 Ų12661.2 Ų61.249%0.49432%0.319SS..Hα-helixtrans-67.5-34175.9-68.8-39.3000113.5K274 K365 D366 H367 A373K274-Y369 WeakPolarHBondContact CD-O 3.13Å; K365-Y369 HydrophobicContact CD-CE2 4.16Å; K365-Y369 WeakPolarHBondContact CE-OH 3.5Å; K365-Y369 HydrophobicContact CG-CD2 4.16Å; K365-Y369 HydrophobicContact CG-CE2 3.61Å; K365-Y369 WeakPolarHBondContact O-CD2 3.06Å; K365-Y369 PolarHBondContact O-N 3.33Å; K365-Y369 VanDerWaalsContact O-N 3.17Å; D366-Y369 PolarHBondContact O-N 3.32Å; H367-Y369 VanDerWaalsContact C-N 3.28Å; H367-Y369 PolarHBondContact O-N 3.3Å; Y369-A373 WeakPolarHBondContact O-CB 3.5Å; Y369-A373 PolarHBondContact O-N 3.38Å
370W90.4Very high76.6Confident0 Ų066.6 Ų66.60%035%0.352CS..Hα-helixtrans-69.4-47175.3-80.7116.4000111.7K274 L278 C295 F297 F304 F345 D366 H367 A373 M374K274-W370 HydrophobicContact CB-CE3 3.98Å; K274-W370 HydrophobicContact CB-CH2 4.41Å; K274-W370 HydrophobicContact CB-CZ3 3.82Å; K274-W370 HydrophobicContact CD-CB 4.45Å; K274-W370 HydrophobicContact CD-CD2 3.59Å; K274-W370 HydrophobicContact CD-CE3 3.63Å; K274-W370 HydrophobicContact CD-CG 3.91Å; K274-W370 HydrophobicContact CD-CZ3 4.21Å; K274-W370 VanDerWaalsContact CE-CE2 3.44Å; K274-W370 HydrophobicContact CG-CD2 4.01Å; K274-W370 HydrophobicContact CG-CE3 3.76Å; K274-W370 HydrophobicContact CG-CH2 4.04Å; K274-W370 HydrophobicContact CG-CZ2 4.22Å; K274-W370 HydrophobicContact CG-CZ3 3.78Å; L278-W370 HydrophobicContact CD1-CD2 4.19Å; L278-W370 HydrophobicContact CD1-CH2 4.38Å; L278-W370 HydrophobicContact CD1-CZ2 4Å; L278-W370 HydrophobicContact CD2-CD2 4.34Å; L278-W370 HydrophobicContact CD2-CG 4.21Å; L278-W370 HydrophobicContact CD2-CZ2 4.38Å; L278-W370 VanDerWaalsContact CD2-NE1 3.32Å; L278-W370 HydrophobicContact CG-CZ2 3.93Å; C295-W370 HydrophobicContact CB-CH2 3.97Å; C295-W370 HydrophobicContact CB-CZ2 4.36Å; F297-W370 HydrophobicContact CB-CZ3 4.21Å; F304-W370 HydrophobicContact CE2-CZ3 4.26Å; F345-W370 HydrophobicContact CE1-CB 4.23Å; F345-W370 HydrophobicContact CE1-CG 4.5Å; F345-W370 HydrophobicContact CE2-CB 4.11Å; F345-W370 HydrophobicContact CZ-CB 3.71Å; F345-W370 AromaticContact CZ-CG 3.96Å; F345-W370 HydrophobicContact CZ-CG 3.96Å; D366-W370 PolarHBondContact O-N 2.74Å; D366-W370 PolarHBondContact OD2-NE1 3.01Å; H367-W370 PolarHBondContact O-N 2.77Å; H367-W370 VanDerWaalsContact O-N 3.08Å; W370-A373 PolarHBondContact O-N 3.28Å; W370-M374 HydrophobicContact CD2-CE 4.17Å; W370-M374 HydrophobicContact CE3-CE 3.3Å; W370-M374 HydrophobicContact CZ3-CE 3.77Å; W370-M374 WeakPolarHBondContact O-CB 3.36Å; W370-M374 WeakPolarHBondContact O-CG 3.39Å; W370-M374 PolarHBondContact O-N 2.82Å; W370-M374 VanDerWaalsContact O-N 3.12Å
371I88Confident73.5Confident15 Ų1575.6 Ų75.68%0.07739%0.386CS..Hα-helixtrans-60.2-49.5176.2-68.6176.1000110.6R334 F345 H367 A373 M374 D375 G376R334-I371 HydrophobicContact CB-CD1 4.01Å; R334-I371 HydrophobicContact CG-CD1 4.16Å; F345-I371 HydrophobicContact CB-CD1 4.31Å; F345-I371 HydrophobicContact CB-CG1 4.29Å; F345-I371 HydrophobicContact CG-CG1 4.48Å; H367-I371 VanDerWaalsContact CE1-CD1 3.46Å; H367-I371 WeakPolarHBondContact CE1-CD1 3.45Å; H367-I371 PolarHBondContact O-N 2.77Å; I371-A373 PolarHBondContact O-N 3.26Å; I371-M374 CarbonylContact O-C 3.55Å; I371-M374 PolarHBondContact O-N 3.13Å; I371-M374 VanDerWaalsContact O-N 3.16Å; I371-D375 PolarHBondContact O-N 3.24Å; I371-G376 WeakPolarHBondContact CG2-O 3.47Å; I371-G376 PolarHBondContact O-N 2.97Å
372S84.9Confident70.4Confident86 Ų8682.9 Ų82.960%0.60142%0.423SS*.Hα-helixtrans-64.9-36.3-179.8176.90000113.3R368 M374R368-S372 WeakPolarHBondContact O-CB 3.49Å; R368-S372 PolarHBondContact O-N 2.95Å; S372-M374 VanDerWaalsContact C-N 3.31Å; S372-M374 PolarHBondContact O-N 3.4Å
373A85.6Confident67.3Low10 Ų1082.4 Ų82.48%0.08343%0.434CS..Hα-helixtrans-66.8-33174.300000112.5T273 K274 F297 Y369 W370 I371T273-A373 HydrophobicContact CG2-CB 4.14Å; K274-A373 HydrophobicContact CB-CB 3.9Å; K274-A373 HydrophobicContact CD-CB 4.26Å; F297-A373 WeakPolarHBondContact CE1-O 3.5Å; Y369-A373 WeakPolarHBondContact O-CB 3.5Å; Y369-A373 PolarHBondContact O-N 3.38Å; W370-A373 PolarHBondContact O-N 3.28Å; I371-A373 PolarHBondContact O-N 3.26Å
374M88Confident64.4Low3 Ų385.9 Ų85.92%0.01546%0.455CS..THydrogen-bonded Turntrans-97.618.4-173.7-68.8-161.1-141.500114.8F297 F304 L329 C332 F345 L347 W370 I371 S372 G376F297-M374 HydrophobicContact CD1-CG 3.94Å; F297-M374 HydrophobicContact CD2-CG 4.34Å; F297-M374 HydrophobicContact CE1-CG 4.01Å; F297-M374 HydrophobicContact CE2-CG 4.4Å; F297-M374 HydrophobicContact CG-CG 4.11Å; F297-M374 HydrophobicContact CZ-CG 4.24Å; F304-M374 HydrophobicContact CD2-CE 3.91Å; F304-M374 HydrophobicContact CD2-SD 4.44Å; F304-M374 HydrophobicContact CE2-CE 3.48Å; F304-M374 VanDerWaalsContact CE2-CE 3.48Å; F304-M374 HydrophobicContact CE2-SD 4.48Å; F304-M374 HydrophobicContact CZ-CE 4.38Å; L329-M374 HydrophobicContact CD1-SD 4.18Å; L329-M374 HydrophobicContact CD2-CB 3.66Å; L329-M374 HydrophobicContact CD2-CG 3.91Å; L329-M374 HydrophobicContact CD2-SD 3.92Å; C332-M374 HydrophobicContact CB-CB 3.71Å; F345-M374 HydrophobicContact CE2-CE 4.07Å; L347-M374 HydrophobicContact CD1-CE 3.85Å; L347-M374 HydrophobicContact CD1-SD 3.66Å; L347-M374 HydrophobicContact CD2-CE 4.48Å; L347-M374 HydrophobicContact CD2-SD 3.59Å; L347-M374 VanDerWaalsContact CD2-SD 3.59Å; L347-M374 HydrophobicContact CG-SD 4.31Å; W370-M374 HydrophobicContact CD2-CE 4.17Å; W370-M374 HydrophobicContact CE3-CE 3.3Å; W370-M374 HydrophobicContact CZ3-CE 3.77Å; W370-M374 WeakPolarHBondContact O-CB 3.36Å; W370-M374 WeakPolarHBondContact O-CG 3.39Å; W370-M374 PolarHBondContact O-N 2.82Å; W370-M374 VanDerWaalsContact O-N 3.12Å; I371-M374 CarbonylContact O-C 3.55Å; I371-M374 PolarHBondContact O-N 3.13Å; I371-M374 VanDerWaalsContact O-N 3.16Å; S372-M374 VanDerWaalsContact C-N 3.31Å; S372-M374 PolarHBondContact O-N 3.4Å; M374-G376 PolarHBondContact O-N 3.42Å
375D78Confident61.5Low62 Ų6284.2 Ų84.233%0.33247%0.465SS..THydrogen-bonded Turntrans5924.3-178.4-56.6-34.2000114.8K299 R302 I371K299-D375 WeakPolarHBondContact CE-OD1 3.47Å; K299-D375 IonicContact NZ-OD1 3.54Å; K299-D375 PolarHBondContact NZ-OD1 3.22Å; R302-D375 IonicContact CZ-OD2 3.15Å; R302-D375 IonicContact NE-OD2 2.75Å; R302-D375 IonicContact NH2-OD2 3.83Å; R302-D375 PolarHBondContact NH2-OD2 3.25Å; I371-D375 PolarHBondContact O-N 3.24Å
376G62.4Low58.7Low12 Ų1288 Ų8812%0.12448%0.481CS..  trans-72.6135.7175.400000112.1I371 M374I371-G376 WeakPolarHBondContact CG2-O 3.47Å; I371-G376 PolarHBondContact O-N 2.97Å; M374-G376 PolarHBondContact O-N 3.42Å
377T49.3Very low55.8Low132 Ų13294 Ų9481%0.8151%0.512SS*.  trans-86114.5-165.2520000114.5
378E36.1Very low52.9Low124 Ų124102.7 Ų102.758%0.57955%0.55SS*.  trans-151.1149.3152-138.5164154.900108.9R334R334-E378 WeakPolarHBondContact CD-OE2 3.48Å; R334-E378 IonicContact CZ-OE1 2.65Å; R334-E378 IonicContact CZ-OE2 2.63Å; R334-E378 IonicContact NE-OE2 3.44Å; R334-E378 IonicContact NH1-OE1 3.65Å; R334-E378 PolarHBondContact NH1-OE1 3.46Å; R334-E378 IonicContact NH1-OE2 2.65Å; R334-E378 PolarHBondContact NH1-OE2 2.96Å
379P29.1Very low50.2Low120 Ų120102.5 Ų102.578%0.77956%0.563SS**  trans-71.1149-152.5-26.137.2000118.9
380T26.4Very low47.9Very low113 Ų113101.4 Ų101.469%0.69357%0.574SS**  trans-13.2121.7160.8-50.40000117.9L382T380-L382 HydrophobicContact CG2-CD1 4.45Å; T380-L382 HydrophobicContact CG2-CG 3.97Å
381Y28.3Very low46.2Very low232 Ų232109.3 Ų109.391%0.9161%0.611SS**  trans-123.8114.9141-103.1-89.1000109.7
382L26.4Very low45Very low155 Ų155110.4 Ų110.481%0.81262%0.623SS**  trans-80.1116172.3-75.9165.9000109.3T380T380-L382 HydrophobicContact CG2-CD1 4.45Å; T380-L382 HydrophobicContact CG2-CG 3.97Å
383A26.3Very low44.8Very low88 Ų88108.7 Ų108.773%0.72760%0.603SS**  trans-149.478.2169.900000110.7G385A383-G385 PolarHBondContact O-N 2.96Å
384P28.6Very low44.6Very low120 Ų120113 Ų11378%0.77962%0.622SS**  trans-70.681.2169.230.9-33.7000109.2K386P384-K386 PolarHBondContact O-N 2.95Å
385G27.2Very low44.7Very low65 Ų65114.8 Ų114.867%0.6763%0.631SS**  trans-61.5103.617600000110A383 I387A383-G385 PolarHBondContact O-N 2.96Å; G385-I387 VanDerWaalsContact C-N 3.31Å; G385-I387 PolarHBondContact O-N 3.21Å
386K26.6Very low45.2Very low206 Ų206115.5 Ų115.590%0.89664%0.635SS**  trans-63.891.3173.6-70.7-176.3178.2-177.70109.3P384 K388P384-K386 PolarHBondContact O-N 2.95Å; K386-K388 PolarHBondContact O-N 3.23Å
387I27.4Very low46.5Very low153 Ų153120.3 Ų120.379%0.78565%0.654SS**  trans-55.1121.1158.5-60.9176.3000105.4G385 V389G385-I387 VanDerWaalsContact C-N 3.31Å; G385-I387 PolarHBondContact O-N 3.21Å; I387-V389 PolarHBondContact O-N 2.76Å
388K28.6Very low48.4Very low197 Ų197114.5 Ų114.586%0.85762%0.619SS**  trans-60.4112.8170-74-172.1175.9-173.20106.8K386 S390K386-K388 PolarHBondContact O-N 3.23Å; K388-S390 PolarHBondContact O-N 2.93Å
389V30.7Very low51.1Low133 Ų133108.6 Ų108.681%0.80659%0.591SS**  trans-60.4108.3165.3178.20000105.3I387I387-V389 PolarHBondContact O-N 2.76Å
390S38.7Very low54.1Low104 Ų104103.9 Ų103.973%0.72756%0.559SS**  trans-59.2141.8173.7-169.20000108.1K388 A392K388-S390 PolarHBondContact O-N 2.93Å; S390-A392 PolarHBondContact O-N 3.34Å
391E52.9Low57.3Low165 Ų165101.2 Ų101.277%0.77154%0.539SS*.  trans-57.197.8-173.5-67.7166.5168.100110.8
392A62.6Low60.4Low39 Ų3990.2 Ų90.232%0.32250%0.496SS..  trans-89.9120.5178.700000108.1S390 H394 N473S390-A392 PolarHBondContact O-N 3.34Å; A392-H394 PolarHBondContact O-CE1 3.45Å; A392-H394 VanDerWaalsContact O-CE1 3.27Å; A392-H394 PolarHBondContact O-ND1 3.49Å; A392-N473 HydrophobicContact CB-CB 3.93Å
393Y80.9Confident63.7Low50 Ų5082.9 Ų82.920%0.19646%0.458CS..BIsolated β-bridgetrans-71.1151.7178.9-57.5-43.8000110.6L434 L438 Y468 N471 L472 N473Y393-L434 HydrophobicContact CE2-CD1 4.49Å; Y393-L438 HydrophobicContact CD1-CD1 4.03Å; Y393-L438 HydrophobicContact CE1-CD1 3.67Å; Y393-L438 HydrophobicContact CE2-CD1 4.42Å; Y393-Y468 AromaticContact CD2-CD2 3.66Å; Y393-Y468 HydrophobicContact CD2-CD2 3.66Å; Y393-Y468 HydrophobicContact CD2-CE2 4.27Å; Y393-Y468 HydrophobicContact CD2-CG 4.32Å; Y393-Y468 HydrophobicContact CE2-CD2 4.33Å; Y393-Y468 AromaticContact CG-CD2 3.93Å; Y393-Y468 HydrophobicContact CG-CD2 3.93Å; Y393-Y468 HydrophobicContact CG-CE2 4.1Å; Y393-N471 HydrophobicContact CD2-CB 3.53Å; Y393-N471 HydrophobicContact CE2-CB 3.58Å; Y393-N471 PolarHBondContact N-O 2.94Å; Y393-L472 CarbonylContact O-C 3.59Å; Y393-L472 WeakPolarHBondContact O-CA 3.21Å; Y393-N473 PolarHBondContact O-N 3.38Å
394H83.2Confident67Low101 Ų10184.4 Ų84.447%0.46845%0.445SS..  trans-115.1157177.3-66.769.4000108.8A392 D396 Y468 N473A392-H394 PolarHBondContact O-CE1 3.45Å; A392-H394 VanDerWaalsContact O-CE1 3.27Å; A392-H394 PolarHBondContact O-ND1 3.49Å; H394-D396 PolarHBondContact O-N 2.99Å; H394-Y468 PolarHBondContact O-OH 3.44Å; H394-N473 PolarHBondContact CD2-ND2 3.16Å; H394-N473 PolarHBondContact NE2-ND2 3.43Å
395L88.6Confident70Confident39 Ų3982.5 Ų82.520%0.20442%0.422CS..SBendtrans-78.971.3171.6-68.6175.8000109.5F400 L472 L476 P511 N512 M515L395-F400 HydrophobicContact CB-CE2 4.48Å; L395-L472 HydrophobicContact CD2-CD1 3.85Å; L395-L472 HydrophobicContact CD2-CD2 3.85Å; L395-L472 HydrophobicContact CG-CD1 4.4Å; L395-L472 HydrophobicContact CG-CD2 4.1Å; L395-L476 HydrophobicContact CD1-CD1 4Å; L395-L476 HydrophobicContact CD2-CD1 4.25Å; L395-P511 HydrophobicContact CB-CB 4.19Å; L395-P511 HydrophobicContact CD1-CB 4.35Å; L395-N512 HydrophobicContact CD1-CB 4.32Å; L395-M515 HydrophobicContact CD2-CB 4.25Å; L395-M515 HydrophobicContact CD2-CG 4.03Å; L395-M515 HydrophobicContact CD2-SD 4.42Å
396D89Confident73.3Confident77 Ų7779.4 Ų79.441%0.41239%0.39SS..  trans-106.6172.1176.365.839.1000112.1H394 A398 G399 F400H394-D396 PolarHBondContact O-N 2.99Å; D396-A398 PolarHBondContact O-N 3.47Å; D396-A398 WeakPolarHBondContact OD1-CA 3.15Å; D396-A398 WeakPolarHBondContact OD1-CB 3.4Å; D396-A398 PolarHBondContact OD1-N 3.39Å; D396-G399 PolarHBondContact O-N 2.93Å; D396-G399 VanDerWaalsContact O-N 3.11Å; D396-G399 PolarHBondContact OD1-N 2.75Å; D396-F400 WeakPolarHBondContact O-CD2 3.33Å; D396-F400 PolarHBondContact O-N 2.95Å
397E89.1Confident76.6Confident114 Ų11470.1 Ų70.153%0.53335%0.35SS..Hα-helixtrans-61.2-31-176.9-166.159.9-137.800112.8F400 M401E397-F400 PolarHBondContact O-N 3.16Å; E397-M401 HydrophobicContact CG-CE 4.3Å; E397-M401 HydrophobicContact CG-CG 4.49Å; E397-M401 WeakPolarHBondContact O-CB 3.34Å; E397-M401 VanDerWaalsContact O-CG 3.28Å; E397-M401 WeakPolarHBondContact O-CG 3.34Å; E397-M401 PolarHBondContact O-N 2.88Å
398A89.8Confident79.8Confident9 Ų966.5 Ų66.57%0.07433%0.33CS..Hα-helixtrans-67.9-41.6176.100000111D396 M401 F402 Q440D396-A398 PolarHBondContact O-N 3.47Å; D396-A398 WeakPolarHBondContact OD1-CA 3.15Å; D396-A398 WeakPolarHBondContact OD1-CB 3.4Å; D396-A398 PolarHBondContact OD1-N 3.39Å; A398-M401 PolarHBondContact O-N 2.67Å; A398-F402 VanDerWaalsContact O-CB 3.27Å; A398-F402 WeakPolarHBondContact O-CB 3.42Å; A398-F402 PolarHBondContact O-N 3.39Å; A398-Q440 HydrophobicContact CB-CG 3.95Å
399G91.9Very high82.9Confident0 Ų058.3 Ų58.30%030%0.296CS..Hα-helixtrans-61-45.317100000113.6D396 F402 I403 Y468D396-G399 PolarHBondContact O-N 2.93Å; D396-G399 VanDerWaalsContact O-N 3.11Å; D396-G399 PolarHBondContact OD1-N 2.75Å; G399-F402 PolarHBondContact O-N 3.04Å; G399-I403 WeakPolarHBondContact O-CG1 3.48Å; G399-I403 PolarHBondContact O-N 3.43Å; G399-Y468 WeakPolarHBondContact CA-OH 3.41Å
400F94.1Very high86Confident21 Ų2152 Ų529%0.09226%0.258CS..Hα-helixtrans-62.1-43.4175.6-90.3-84.4000112.6L395 D396 E397 R404 P511 Q514 M515 M518L395-F400 HydrophobicContact CB-CE2 4.48Å; D396-F400 WeakPolarHBondContact O-CD2 3.33Å; D396-F400 PolarHBondContact O-N 2.95Å; E397-F400 PolarHBondContact O-N 3.16Å; F400-R404 VanDerWaalsContact O-CB 3.26Å; F400-R404 WeakPolarHBondContact O-CB 3.31Å; F400-R404 PolarHBondContact O-N 2.79Å; F400-P511 HydrophobicContact CE2-CB 4.18Å; F400-P511 HydrophobicContact CZ-CB 4.29Å; F400-P511 WeakPolarHBondContact CZ-O 3.46Å; F400-Q514 HydrophobicContact CE1-CB 3.92Å; F400-Q514 HydrophobicContact CZ-CB 4.06Å; F400-M515 HydrophobicContact CD1-CE 3.72Å; F400-M515 HydrophobicContact CD1-SD 4.41Å; F400-M515 HydrophobicContact CE1-CB 3.87Å; F400-M515 HydrophobicContact CE1-CE 3.96Å; F400-M515 HydrophobicContact CG-CE 4.43Å; F400-M515 HydrophobicContact CZ-CB 3.9Å; F400-M518 HydrophobicContact CD1-CE 4.06Å
401M92.1Very high88.7Confident58 Ų5850.4 Ų50.429%0.28624%0.239SC..Hα-helixtrans-64.3-47.4175.2-73.6-171.2-63.300111.5E397 A398 I403 R404 R405E397-M401 HydrophobicContact CG-CE 4.3Å; E397-M401 HydrophobicContact CG-CG 4.49Å; E397-M401 WeakPolarHBondContact O-CB 3.34Å; E397-M401 VanDerWaalsContact O-CG 3.28Å; E397-M401 WeakPolarHBondContact O-CG 3.34Å; E397-M401 PolarHBondContact O-N 2.88Å; A398-M401 PolarHBondContact O-N 2.67Å; M401-I403 PolarHBondContact O-N 2.78Å; M401-R404 PolarHBondContact O-N 2.94Å; M401-R405 WeakPolarHBondContact O-CG 3.3Å; M401-R405 PolarHBondContact O-N 3.31Å
402F93.8Very high90.7Very high1 Ų149.4 Ų49.40%0.00424%0.238CC..Hα-helixtrans-56.4-49.9178.6175.8-102.5000112.1A398 G399 R404 R405 C406 L433 L434 L438 F447 A464 Y468A398-F402 VanDerWaalsContact O-CB 3.27Å; A398-F402 WeakPolarHBondContact O-CB 3.42Å; A398-F402 PolarHBondContact O-N 3.39Å; G399-F402 PolarHBondContact O-N 3.04Å; F402-R404 PolarHBondContact O-N 3.26Å; F402-R405 PolarHBondContact O-N 3.08Å; F402-C406 VanDerWaalsContact CZ-SG 3.6Å; F402-C406 PolarHBondContact O-N 2.95Å; F402-C406 PolarHBondContact O-SG 3.4Å; F402-C406 VanDerWaalsContact O-SG 3.35Å; F402-L433 HydrophobicContact CE2-CG 4.35Å; F402-L434 HydrophobicContact CE1-CD2 3.64Å; F402-L434 HydrophobicContact CZ-CD2 3.65Å; F402-L434 HydrophobicContact CZ-CG 4.46Å; F402-L438 HydrophobicContact CB-CD2 3.78Å; F402-L438 HydrophobicContact CD1-CD2 4.17Å; F402-L438 HydrophobicContact CG-CD2 3.91Å; F402-L438 HydrophobicContact CG-CG 4.42Å; F402-F447 HydrophobicContact CD2-CE2 4.28Å; F402-F447 HydrophobicContact CD2-CZ 4.02Å; F402-F447 AromaticContact CE2-CZ 3.98Å; F402-F447 HydrophobicContact CE2-CZ 3.98Å; F402-A464 HydrophobicContact CZ-CB 3.98Å; F402-Y468 HydrophobicContact CD1-CG 4.42Å
403I95.2Very high92.1Very high0 Ų052.8 Ų52.80%024%0.242CC..Hα-helixtrans-65.6-39.6-180-65.7-70.6000111.4G399 M401 C406 I407 L465 Y468 L469 M515 M518 V519G399-I403 WeakPolarHBondContact O-CG1 3.48Å; G399-I403 PolarHBondContact O-N 3.43Å; M401-I403 PolarHBondContact O-N 2.78Å; I403-C406 PolarHBondContact O-N 2.9Å; I403-I407 HydrophobicContact CG2-CD1 3.85Å; I403-I407 WeakPolarHBondContact O-CB 3.37Å; I403-I407 WeakPolarHBondContact O-CG1 3.49Å; I403-I407 PolarHBondContact O-N 3.17Å; I403-L465 HydrophobicContact CD1-CB 4.29Å; I403-L465 HydrophobicContact CD1-CD1 4.35Å; I403-L465 HydrophobicContact CD1-CG 3.73Å; I403-L465 HydrophobicContact CG2-CD1 4.4Å; I403-Y468 HydrophobicContact CD1-CD1 3.48Å; I403-Y468 VanDerWaalsContact CD1-CD1 3.48Å; I403-Y468 HydrophobicContact CD1-CE1 4.17Å; I403-Y468 HydrophobicContact CD1-CG 4.11Å; I403-Y468 HydrophobicContact CG1-CD1 3.59Å; I403-Y468 HydrophobicContact CG1-CE1 3.76Å; I403-Y468 HydrophobicContact CG1-CG 4.38Å; I403-L469 HydrophobicContact CD1-CD2 4.46Å; I403-L469 HydrophobicContact CD1-CG 4.29Å; I403-M515 HydrophobicContact CB-CE 3.82Å; I403-M515 HydrophobicContact CB-SD 4Å; I403-M515 HydrophobicContact CG1-CE 4.43Å; I403-M515 HydrophobicContact CG1-SD 3.94Å; I403-M515 HydrophobicContact CG2-CE 3.5Å; I403-M515 HydrophobicContact CG2-SD 3.97Å; I403-M518 HydrophobicContact CG2-SD 4.19Å; I403-V519 HydrophobicContact CG2-CG2 4.28Å
404R95.2Very high92.6Very high121 Ų12150.4 Ų50.446%0.45723%0.232SC..Hα-helixtrans-61.7-43.7174.4-168.8-169.9-58.4-1036.4112F400 M401 F402 I407 Q408 M518F400-R404 VanDerWaalsContact O-CB 3.26Å; F400-R404 WeakPolarHBondContact O-CB 3.31Å; F400-R404 PolarHBondContact O-N 2.79Å; M401-R404 PolarHBondContact O-N 2.94Å; F402-R404 PolarHBondContact O-N 3.26Å; R404-I407 PolarHBondContact O-N 3.02Å; R404-Q408 WeakPolarHBondContact O-CB 3.35Å; R404-Q408 VanDerWaalsContact O-CG 3.25Å; R404-Q408 WeakPolarHBondContact O-CG 3.48Å; R404-Q408 PolarHBondContact O-N 3.44Å; R404-M518 HydrophobicContact CB-CE 4.45Å; R404-M518 HydrophobicContact CB-SD 4.03Å; R404-M518 HydrophobicContact CG-SD 4.46Å
405R92.9Very high93.2Very high79 Ų7946.4 Ų46.430%0.29822%0.215SC..Hα-helixtrans-64.3-44.3175.8-70.1-68.3-171.8-157.75.1111.6M401 F402 I407 Q408 V409 D444 F447M401-R405 WeakPolarHBondContact O-CG 3.3Å; M401-R405 PolarHBondContact O-N 3.31Å; F402-R405 PolarHBondContact O-N 3.08Å; R405-I407 PolarHBondContact O-N 3.44Å; R405-Q408 PolarHBondContact O-N 3.37Å; R405-V409 WeakPolarHBondContact O-CG2 3.34Å; R405-V409 PolarHBondContact O-N 3.07Å; R405-V409 VanDerWaalsContact O-N 3.17Å; R405-D444 IonicContact CZ-OD1 2.72Å; R405-D444 VanDerWaalsContact CZ-OD1 3.24Å; R405-D444 IonicContact NE-OD1 3.23Å; R405-D444 PolarHBondContact NE-OD1 3.31Å; R405-D444 IonicContact NH2-OD1 2.95Å; R405-D444 PolarHBondContact NH2-OD1 3.13Å; R405-D444 IonicContact NH2-OD2 3.24Å; R405-D444 PolarHBondContact NH2-OD2 3.23Å; R405-F447 HydrophobicContact CB-CD1 4.2Å; R405-F447 HydrophobicContact CB-CD2 3.64Å; R405-F447 HydrophobicContact CB-CE1 4.07Å; R405-F447 HydrophobicContact CB-CE2 3.5Å; R405-F447 VanDerWaalsContact CB-CE2 3.5Å; R405-F447 HydrophobicContact CB-CG 3.99Å; R405-F447 HydrophobicContact CB-CZ 3.72Å; R405-F447 HydrophobicContact CG-CD2 3.98Å; R405-F447 HydrophobicContact CG-CE2 4.09Å
406C95.2Very high93.5Very high0 Ų048.5 Ų48.50%022%0.223CC..Hα-helixtrans-57.3-47.8173.8-72.30000112.2F402 I403 V409 L410 I461 L465F402-C406 VanDerWaalsContact CZ-SG 3.6Å; F402-C406 PolarHBondContact O-N 2.95Å; F402-C406 PolarHBondContact O-SG 3.4Å; F402-C406 VanDerWaalsContact O-SG 3.35Å; I403-C406 PolarHBondContact O-N 2.9Å; C406-V409 PolarHBondContact O-N 3.26Å; C406-L410 VanDerWaalsContact O-CG 3.29Å; C406-L410 WeakPolarHBondContact O-CG 3.34Å; C406-L410 PolarHBondContact O-N 2.98Å; C406-L410 VanDerWaalsContact O-N 3.1Å; C406-I461 HydrophobicContact CB-CG2 3.67Å; C406-L465 HydrophobicContact CB-CB 4.34Å; C406-L465 HydrophobicContact CB-CD1 3.96Å
407I96.9Very high93.8Very high11 Ų1147.8 Ų47.86%0.05622%0.219CC..Hα-helixtrans-61.6-49.8179.2-78.6170.3000111.1I403 R404 R405 V409 L410 E411 L465 M518 H522I403-I407 HydrophobicContact CG2-CD1 3.85Å; I403-I407 WeakPolarHBondContact O-CB 3.37Å; I403-I407 WeakPolarHBondContact O-CG1 3.49Å; I403-I407 PolarHBondContact O-N 3.17Å; R404-I407 PolarHBondContact O-N 3.02Å; R405-I407 PolarHBondContact O-N 3.44Å; I407-V409 VanDerWaalsContact C-N 3.33Å; I407-V409 PolarHBondContact O-N 3.07Å; I407-L410 PolarHBondContact O-N 3.14Å; I407-L410 VanDerWaalsContact O-N 3.11Å; I407-E411 VanDerWaalsContact CG2-CD 3.48Å; I407-E411 HydrophobicContact CG2-CG 4.38Å; I407-E411 WeakPolarHBondContact CG2-OE1 3.39Å; I407-E411 WeakPolarHBondContact O-CB 3.12Å; I407-E411 WeakPolarHBondContact O-CG 3.13Å; I407-E411 PolarHBondContact O-N 3.43Å; I407-L465 HydrophobicContact CD1-CD1 4.32Å; I407-L465 HydrophobicContact CG1-CD1 3.77Å; I407-M518 HydrophobicContact CD1-CG 3.86Å; I407-M518 HydrophobicContact CD1-SD 4.17Å; I407-H522 HydrophobicContact CD1-CB 3.96Å; I407-H522 HydrophobicContact CG1-CB 4.02Å; I407-H522 HydrophobicContact CG2-CB 4.1Å
408Q94.8Very high94.1Very high77 Ų7747.5 Ų47.536%0.3622%0.218SC..Hα-helixtrans-52.8-48177.9-76.4170.3-10.700112.4R404 R405 L410 E411 I412R404-Q408 WeakPolarHBondContact O-CB 3.35Å; R404-Q408 VanDerWaalsContact O-CG 3.25Å; R404-Q408 WeakPolarHBondContact O-CG 3.48Å; R404-Q408 PolarHBondContact O-N 3.44Å; R405-Q408 PolarHBondContact O-N 3.37Å; Q408-L410 PolarHBondContact O-N 3.48Å; Q408-E411 PolarHBondContact O-N 3.45Å; Q408-I412 WeakPolarHBondContact O-CD1 3.46Å; Q408-I412 VanDerWaalsContact O-CG1 3.27Å; Q408-I412 WeakPolarHBondContact O-CG1 3.02Å; Q408-I412 PolarHBondContact O-N 2.68Å; Q408-I412 VanDerWaalsContact O-N 3.1Å
409V93.6Very high94.2Very high25 Ų2547.1 Ų47.115%0.15222%0.215CC..Hα-helixtrans-70-32.9-178.5177.40000112R405 C406 I407 R413 F447 I461R405-V409 WeakPolarHBondContact O-CG2 3.34Å; R405-V409 PolarHBondContact O-N 3.07Å; R405-V409 VanDerWaalsContact O-N 3.17Å; C406-V409 PolarHBondContact O-N 3.26Å; I407-V409 VanDerWaalsContact C-N 3.33Å; I407-V409 PolarHBondContact O-N 3.07Å; V409-R413 VanDerWaalsContact O-CG 3.23Å; V409-R413 WeakPolarHBondContact O-CG 3.23Å; V409-F447 HydrophobicContact CG2-CD1 4.13Å; V409-I461 HydrophobicContact CB-CD1 4.19Å; V409-I461 HydrophobicContact CG1-CD1 3.51Å
410L95.8Very high94.4Very high0 Ų047.1 Ų47.10%022%0.215CC..Hα-helixtrans-75.2-31175.1-67.9174.7000112.6C406 I407 Q408 G414 L415 I420 Y421 I461 A462C406-L410 VanDerWaalsContact O-CG 3.29Å; C406-L410 WeakPolarHBondContact O-CG 3.34Å; C406-L410 PolarHBondContact O-N 2.98Å; C406-L410 VanDerWaalsContact O-N 3.1Å; I407-L410 PolarHBondContact O-N 3.14Å; I407-L410 VanDerWaalsContact O-N 3.11Å; Q408-L410 PolarHBondContact O-N 3.48Å; L410-G414 CarbonylContact O-C 3.38Å; L410-G414 WeakPolarHBondContact O-CA 3.46Å; L410-G414 PolarHBondContact O-N 2.85Å; L410-L415 WeakPolarHBondContact O-CG 3.11Å; L410-L415 PolarHBondContact O-N 3.38Å; L410-I420 HydrophobicContact CD2-CD1 4.05Å; L410-Y421 HydrophobicContact CD1-CE1 4.4Å; L410-Y421 WeakPolarHBondContact CD1-OH 3.5Å; L410-I461 HydrophobicContact CD1-CG2 3.98Å; L410-I461 HydrophobicContact CD2-CB 4.2Å; L410-I461 HydrophobicContact CD2-CG2 4.3Å; L410-I461 HydrophobicContact CG-CB 4.39Å; L410-I461 HydrophobicContact CG-CG2 3.94Å; L410-A462 HydrophobicContact CD1-CB 4.03Å
411E95.9Very high94.5Very high71 Ų7146.1 Ų46.133%0.33221%0.21SC..Hα-helixtrans-71-42.1176-79168.1-175.700112.6I407 Q408 R413 L415 H522I407-E411 VanDerWaalsContact CG2-CD 3.48Å; I407-E411 HydrophobicContact CG2-CG 4.38Å; I407-E411 WeakPolarHBondContact CG2-OE1 3.39Å; I407-E411 WeakPolarHBondContact O-CB 3.12Å; I407-E411 WeakPolarHBondContact O-CG 3.13Å; I407-E411 PolarHBondContact O-N 3.43Å; Q408-E411 PolarHBondContact O-N 3.45Å; E411-R413 VanDerWaalsContact C-N 3.34Å; E411-R413 PolarHBondContact O-N 3.14Å; E411-L415 HydrophobicContact CB-CD1 4.5Å; E411-L415 HydrophobicContact CG-CD1 4.35Å; E411-L415 HydrophobicContact CG-CD2 4.17Å; E411-H522 WeakPolarHBondContact CG-ND1 3.41Å; E411-H522 IonicContact OE1-CE1 2.88Å; E411-H522 IonicContact OE1-CG 3.03Å; E411-H522 IonicContact OE1-ND1 3.05Å; E411-H522 PolarHBondContact OE1-ND1 3.14Å
412I93.7Very high94.5Very high145 Ų14549.7 Ų49.774%0.74422%0.221SC*.Hα-helixtrans-63-37.7179.8-71.1165.1000112.4Q408Q408-I412 WeakPolarHBondContact O-CD1 3.46Å; Q408-I412 VanDerWaalsContact O-CG1 3.27Å; Q408-I412 WeakPolarHBondContact O-CG1 3.02Å; Q408-I412 PolarHBondContact O-N 2.68Å; Q408-I412 VanDerWaalsContact O-N 3.1Å
413R93.2Very high94.5Very high109 Ų10953.9 Ų53.941%0.41124%0.239SC..Hα-helixtrans-148-5.8-16958.9168.1-167.876.74.4117.2V409 E411 M456 S458V409-R413 VanDerWaalsContact O-CG 3.23Å; V409-R413 WeakPolarHBondContact O-CG 3.23Å; E411-R413 VanDerWaalsContact C-N 3.34Å; E411-R413 PolarHBondContact O-N 3.14Å; R413-M456 PolarHBondContact NH2-O 3.19Å; R413-S458 PolarHBondContact NH1-OG 3.41Å
414G91Very high94.3Very high0 Ų058.4 Ų58.40%027%0.271CS..THydrogen-bonded Turntrans-100.8-20.4-175.700000115.3L410 E416 D417 I420L410-G414 CarbonylContact O-C 3.38Å; L410-G414 WeakPolarHBondContact O-CA 3.46Å; L410-G414 PolarHBondContact O-N 2.85Å; G414-E416 PolarHBondContact O-N 2.94Å; G414-D417 WeakPolarHBondContact O-CB 3.25Å; G414-D417 PolarHBondContact O-N 3.25Å; G414-I420 WeakPolarHBondContact O-CD1 3.36Å
415L94.9Very high94.1Very high18 Ų1853.4 Ų53.49%0.09426%0.257CS..THydrogen-bonded Turntrans-60.7-13.6-173.6-58.3-179.2000115.3L410 E411 V526 K529 N533L410-L415 WeakPolarHBondContact O-CG 3.11Å; L410-L415 PolarHBondContact O-N 3.38Å; E411-L415 HydrophobicContact CB-CD1 4.5Å; E411-L415 HydrophobicContact CG-CD1 4.35Å; E411-L415 HydrophobicContact CG-CD2 4.17Å; L415-V526 HydrophobicContact CD2-CG2 3.63Å; L415-K529 HydrophobicContact CB-CD 3.79Å; L415-K529 HydrophobicContact CB-CG 4.46Å; L415-K529 WeakPolarHBondContact O-CB 3.35Å; L415-N533 WeakPolarHBondContact O-CB 3.34Å; L415-N533 PolarHBondContact O-ND2 2.89Å
416E95.5Very high94Very high82 Ų8253.1 Ų53.138%0.38326%0.264SS..THydrogen-bonded Turntrans-106.1-4.4178.9-55.2-163.3167.900113.1G414 E418 K529 K532G414-E416 PolarHBondContact O-N 2.94Å; E416-E418 PolarHBondContact O-N 2.87Å; E416-K529 HydrophobicContact CG-CD 3.6Å; E416-K529 IonicContact OE1-NZ 3.63Å; E416-K529 PolarHBondContact OE1-NZ 2.82Å; E416-K532 HydrophobicContact CB-CB 4.45Å; E416-K532 HydrophobicContact CB-CD 4.17Å; E416-K532 HydrophobicContact CG-CD 3.9Å; E416-K532 IonicContact OE1-NZ 3.43Å; E416-K532 PolarHBondContact OE1-NZ 3.21Å; E416-K532 WeakPolarHBondContact OE2-CD 3.39Å; E416-K532 WeakPolarHBondContact OE2-CE 3.48Å; E416-K532 IonicContact OE2-NZ 3.86Å; E416-K532 PolarHBondContact OE2-NZ 3.25Å
417D95.4Very high93.7Very high62 Ų6255.3 Ų55.333%0.33229%0.286SS..SBendtrans-67.7116.5178.5-77-40.2000110.8G414 G419 I420 S458 N533G414-D417 WeakPolarHBondContact O-CB 3.25Å; G414-D417 PolarHBondContact O-N 3.25Å; D417-G419 PolarHBondContact O-N 2.81Å; D417-I420 WeakPolarHBondContact O-CB 3.49Å; D417-I420 PolarHBondContact O-N 3Å; D417-S458 WeakPolarHBondContact OD2-CB 3.48Å; D417-S458 PolarHBondContact OD2-OG 3.05Å; D417-N533 WeakPolarHBondContact O-CB 3.46Å
418E94.5Very high93.4Very high109 Ų10960.1 Ų60.151%0.50932%0.316SS..THydrogen-bonded Turntrans-51.7123.7178.9-74.2-166.5150.900112.6E416 I420 K423 N533E416-E418 PolarHBondContact O-N 2.87Å; E418-I420 VanDerWaalsContact C-N 3.31Å; E418-K423 VanDerWaalsContact CB-NZ 3.33Å; E418-K423 WeakPolarHBondContact O-CD 3.5Å; E418-K423 WeakPolarHBondContact O-CE 3.46Å; E418-K423 PolarHBondContact O-NZ 2.93Å; E418-K423 IonicContact OE2-NZ 2.77Å; E418-N533 CarbonylContact C-O 3.56Å; E418-N533 WeakPolarHBondContact CA-O 3.26Å
419G92.5Very high93.4Very high0 Ų058.4 Ų58.40%031%0.307CS..THydrogen-bonded Turntrans69.625178.100000113.7D417 Y421 R422 K423 N533D417-G419 PolarHBondContact O-N 2.81Å; G419-Y421 PolarHBondContact O-N 2.91Å; G419-R422 CarbonylContact O-C 3.57Å; G419-R422 WeakPolarHBondContact O-CA 3.28Å; G419-R422 WeakPolarHBondContact O-CB 3.31Å; G419-R422 PolarHBondContact O-N 2.87Å; G419-K423 PolarHBondContact O-N 3.24Å; G419-N533 PolarHBondContact N-O 3.21Å
420I95.9Very high93.3Very high0 Ų057.8 Ų57.80%030%0.303CS..THydrogen-bonded Turntrans-44.5140.3167-174.2167.2000110.8L410 G414 D417 E418 R422 A462 V526 N533 M535L410-I420 HydrophobicContact CD2-CD1 4.05Å; G414-I420 WeakPolarHBondContact O-CD1 3.36Å; D417-I420 WeakPolarHBondContact O-CB 3.49Å; D417-I420 PolarHBondContact O-N 3Å; E418-I420 VanDerWaalsContact C-N 3.31Å; I420-R422 PolarHBondContact O-N 2.84Å; I420-A462 HydrophobicContact CG1-CB 4.18Å; I420-V526 HydrophobicContact CG2-CG1 3.71Å; I420-N533 HydrophobicContact CG2-CB 4.26Å; I420-M535 HydrophobicContact CG2-CG 4.05Å; I420-M535 WeakPolarHBondContact O-CG 3.5Å
421Y96.8Very high93.1Very high0 Ų060.9 Ų60.90%033%0.325CS..THydrogen-bonded Turntrans61.4-25.6-168.7-61.4-68.6000117.1L410 G419 A462 L465 K466 H522 L523 V526 L540 F544L410-Y421 HydrophobicContact CD1-CE1 4.4Å; L410-Y421 WeakPolarHBondContact CD1-OH 3.5Å; G419-Y421 PolarHBondContact O-N 2.91Å; Y421-A462 HydrophobicContact CD1-CB 3.59Å; Y421-A462 WeakPolarHBondContact CD1-O 3.43Å; Y421-A462 HydrophobicContact CE1-CB 3.55Å; Y421-A462 WeakPolarHBondContact CE1-O 3.45Å; Y421-A462 HydrophobicContact CG-CB 4.22Å; Y421-L465 HydrophobicContact CE1-CB 4.48Å; Y421-L465 HydrophobicContact CE1-CD2 3.89Å; Y421-K466 HydrophobicContact CD1-CD 4.08Å; Y421-K466 HydrophobicContact CD1-CG 3.93Å; Y421-K466 HydrophobicContact CE1-CG 4.49Å; Y421-K466 WeakPolarHBondContact O-CE 3.39Å; Y421-K466 PolarHBondContact O-NZ 3.2Å; Y421-H522 AromaticContact CE2-CD2 3.86Å; Y421-H522 AromaticContact CE2-NE2 3.5Å; Y421-H522 WeakPolarHBondContact CE2-NE2 3.46Å; Y421-H522 AromaticContact CZ-CD2 3.85Å; Y421-H522 AromaticContact CZ-NE2 3.58Å; Y421-H522 PolarHBondContact OH-CD2 2.94Å; Y421-H522 PolarHBondContact OH-NE2 3.29Å; Y421-L523 HydrophobicContact CD2-CD2 4.14Å; Y421-L523 HydrophobicContact CE2-CD2 3.98Å; Y421-V526 HydrophobicContact CE2-CG2 4.14Å; Y421-L540 HydrophobicContact CD2-CD2 4.38Å; Y421-F544 AromaticContact CD1-CE2 3.86Å; Y421-F544 HydrophobicContact CD1-CE2 3.86Å; Y421-F544 AromaticContact CD1-CZ 3.57Å; Y421-F544 HydrophobicContact CD1-CZ 3.57Å; Y421-F544 HydrophobicContact CD2-CE2 4.08Å; Y421-F544 HydrophobicContact CD2-CZ 4.35Å; Y421-F544 HydrophobicContact CE1-CE2 4.44Å; Y421-F544 AromaticContact CE1-CZ 3.81Å; Y421-F544 HydrophobicContact CE1-CZ 3.81Å; Y421-F544 AromaticContact CG-CE2 3.66Å; Y421-F544 HydrophobicContact CG-CE2 3.66Å; Y421-F544 AromaticContact CG-CZ 3.87Å; Y421-F544 HydrophobicContact CG-CZ 3.87Å
422R93Very high92.9Very high133 Ų13361.5 Ų61.550%0.50233%0.327SS..THydrogen-bonded Turntrans-83.5-43.6173.8-176.6173.462.2178.7-2.7112.6G419 I420 M535 V543G419-R422 CarbonylContact O-C 3.57Å; G419-R422 WeakPolarHBondContact O-CA 3.28Å; G419-R422 WeakPolarHBondContact O-CB 3.31Å; G419-R422 PolarHBondContact O-N 2.87Å; I420-R422 PolarHBondContact O-N 2.84Å; R422-M535 HydrophobicContact CB-CE 3.81Å; R422-M535 HydrophobicContact CB-SD 3.68Å; R422-V543 HydrophobicContact CB-CG2 4.45Å
423K92.7Very high92.8Very high89 Ų8954.6 Ų54.639%0.38729%0.291SS..SBendtrans-75121.5174-67.3-178.3-172.9161.20109.1E418 G419E418-K423 VanDerWaalsContact CB-NZ 3.33Å; E418-K423 WeakPolarHBondContact O-CD 3.5Å; E418-K423 WeakPolarHBondContact O-CE 3.46Å; E418-K423 PolarHBondContact O-NZ 2.93Å; E418-K423 IonicContact OE2-NZ 2.77Å; G419-K423 PolarHBondContact O-N 3.24Å
424S90.6Very high92.7Very high95 Ų9549.6 Ų49.666%0.66427%0.272SS*.  trans-75.3142.1178.1-650000111.8
425G90.5Very high92.6Very high16 Ų1652.4 Ų52.417%0.16530%0.296CS..  trans-78.2178.716800000112.8G427 I430 N459 S463G425-G427 PolarHBondContact O-N 2.59Å; G425-I430 WeakPolarHBondContact O-CD1 3.42Å; G425-N459 PolarHBondContact N-O 3.29Å; G425-S463 PolarHBondContact N-OG 3.27Å
426V92.2Very high92.3Very high74 Ų7453.1 Ų53.145%0.44830%0.3SS..  trans-76.6118.5-179.3-178.50000110.1T428 K429 I430V426-T428 VanDerWaalsContact C-N 3.29Å; V426-T428 PolarHBondContact O-N 3.12Å; V426-T428 VanDerWaalsContact O-N 3.11Å; V426-K429 HydrophobicContact CB-CB 4.3Å; V426-K429 HydrophobicContact CB-CD 4.08Å; V426-K429 HydrophobicContact CB-CG 4.03Å; V426-K429 HydrophobicContact CG1-CG 4.29Å; V426-K429 HydrophobicContact CG2-CD 4.43Å; V426-K429 WeakPolarHBondContact O-CA 3.45Å; V426-K429 WeakPolarHBondContact O-CB 3.31Å; V426-K429 PolarHBondContact O-N 2.95Å; V426-I430 WeakPolarHBondContact O-CG1 3.34Å; V426-I430 PolarHBondContact O-N 3.19Å
427G88Confident91.9Very high46 Ų4649.2 Ų49.247%0.47428%0.282SS..Hα-helixtrans-51.9-37.6-171.900000115.9G425 S431G425-G427 PolarHBondContact O-N 2.59Å; G427-S431 WeakPolarHBondContact O-CB 3.34Å; G427-S431 PolarHBondContact O-N 3.27Å; G427-S431 PolarHBondContact O-OG 2.98Å
428T91.5Very high91.4Very high111 Ų11148 Ų4868%0.68128%0.275SS*.Hα-helixtrans-67.4-41.3175.8510000112.3V426 S431 K432V426-T428 VanDerWaalsContact C-N 3.29Å; V426-T428 PolarHBondContact O-N 3.12Å; V426-T428 VanDerWaalsContact O-N 3.11Å; T428-S431 PolarHBondContact O-N 3.45Å; T428-K432 WeakPolarHBondContact O-CB 3.5Å; T428-K432 PolarHBondContact O-N 3.44Å
429K93.8Very high90.8Very high41 Ų4146.5 Ų46.518%0.17827%0.27CS..Hα-helixtrans-65.9-43.1174.5-62.3-173.1174.7-168.80111.9V426 S431 K432 L433 D454 L455 E457 T460V426-K429 HydrophobicContact CB-CB 4.3Å; V426-K429 HydrophobicContact CB-CD 4.08Å; V426-K429 HydrophobicContact CB-CG 4.03Å; V426-K429 HydrophobicContact CG1-CG 4.29Å; V426-K429 HydrophobicContact CG2-CD 4.43Å; V426-K429 WeakPolarHBondContact O-CA 3.45Å; V426-K429 WeakPolarHBondContact O-CB 3.31Å; V426-K429 PolarHBondContact O-N 2.95Å; K429-S431 VanDerWaalsContact C-N 3.3Å; K429-S431 PolarHBondContact O-N 3.46Å; K429-K432 PolarHBondContact O-N 3.3Å; K429-L433 WeakPolarHBondContact O-CB 3.45Å; K429-L433 PolarHBondContact O-N 3.42Å; K429-D454 WeakPolarHBondContact CD-O 3.42Å; K429-D454 VanDerWaalsContact CE-O 3.31Å; K429-D454 WeakPolarHBondContact CE-O 3.49Å; K429-D454 PolarHBondContact NZ-O 3.49Å; K429-L455 HydrophobicContact CB-CD2 3.81Å; K429-L455 HydrophobicContact CG-CD2 4.18Å; K429-E457 VanDerWaalsContact CD-OE2 3.29Å; K429-E457 WeakPolarHBondContact CD-OE2 3.38Å; K429-E457 IonicContact NZ-OE1 2.68Å; K429-E457 PolarHBondContact NZ-OE1 2.83Å; K429-E457 IonicContact NZ-OE2 2.71Å; K429-E457 PolarHBondContact NZ-OE2 2.85Å; K429-T460 HydrophobicContact CB-CG2 3.63Å
430I92.5Very high89.6Confident13 Ų1353.1 Ų53.17%0.06730%0.301CS..Hα-helixtrans-58.8-44.6177.5-61.2164.6000110.1G425 V426 L433 L434 T460 A464 M467G425-I430 WeakPolarHBondContact O-CD1 3.42Å; V426-I430 WeakPolarHBondContact O-CG1 3.34Å; V426-I430 PolarHBondContact O-N 3.19Å; I430-L433 PolarHBondContact O-N 3.19Å; I430-L434 PolarHBondContact O-N 3.16Å; I430-T460 HydrophobicContact CG1-CG2 4.08Å; I430-A464 HydrophobicContact CG2-CB 3.96Å; I430-M467 HydrophobicContact CG2-CE 3.75Å
431S90.7Very high88.1Confident65 Ų6562.6 Ų62.646%0.45534%0.343SS..Hα-helixtrans-66.9-42.5179.1-52.50000112.2G427 T428 K429 L434 A435G427-S431 WeakPolarHBondContact O-CB 3.34Å; G427-S431 PolarHBondContact O-N 3.27Å; G427-S431 PolarHBondContact O-OG 2.98Å; T428-S431 PolarHBondContact O-N 3.45Å; K429-S431 VanDerWaalsContact C-N 3.3Å; K429-S431 PolarHBondContact O-N 3.46Å; S431-L434 PolarHBondContact O-N 3.31Å; S431-A435 WeakPolarHBondContact O-CB 3.49Å; S431-A435 PolarHBondContact O-N 3Å
432K91.8Very high86.6Confident84 Ų8465.9 Ų65.937%0.36536%0.358SS..Hα-helixtrans-62.2-40.2174179.7178.3156-143.60111.7T428 K429 A435 L436 D454 L455T428-K432 WeakPolarHBondContact O-CB 3.5Å; T428-K432 PolarHBondContact O-N 3.44Å; K429-K432 PolarHBondContact O-N 3.3Å; K432-A435 PolarHBondContact O-N 3.1Å; K432-L436 HydrophobicContact CG-CD1 3.9Å; K432-L436 VanDerWaalsContact O-CG 3.32Å; K432-L436 WeakPolarHBondContact O-CG 3.38Å; K432-L436 PolarHBondContact O-N 3.01Å; K432-L436 VanDerWaalsContact O-N 3.11Å; K432-D454 IonicContact NZ-OD1 2.76Å; K432-D454 PolarHBondContact NZ-OD1 3.16Å; K432-D454 IonicContact NZ-OD2 3.71Å; K432-D454 PolarHBondContact NZ-OD2 2.9Å; K432-L455 HydrophobicContact CB-CD2 4.18Å; K432-L455 HydrophobicContact CD-CD1 4.27Å; K432-L455 HydrophobicContact CD-CD2 3.86Å; K432-L455 HydrophobicContact CD-CG 4.48Å; K432-L455 HydrophobicContact CG-CD1 4.01Å; K432-L455 HydrophobicContact CG-CD2 4.07Å
433L92.6Very high85.2Confident0 Ų060.2 Ų60.20%034%0.338CS..Hα-helixtrans-68-39.5178.3-179.857.6000112.8F402 K429 I430 G437 V446 F447 L455 M456 T460 I461 A464F402-L433 HydrophobicContact CE2-CG 4.35Å; K429-L433 WeakPolarHBondContact O-CB 3.45Å; K429-L433 PolarHBondContact O-N 3.42Å; I430-L433 PolarHBondContact O-N 3.19Å; L433-G437 WeakPolarHBondContact O-CA 3.49Å; L433-G437 PolarHBondContact O-N 3.12Å; L433-V446 HydrophobicContact CD1-CG1 3.7Å; L433-F447 HydrophobicContact CD1-CE1 4.38Å; L433-F447 HydrophobicContact CD1-CZ 4.31Å; L433-L455 HydrophobicContact CB-CD1 4.29Å; L433-L455 HydrophobicContact CD1-CD1 4.39Å; L433-M456 HydrophobicContact CD1-CE 3.77Å; L433-T460 HydrophobicContact CD2-CG2 4.29Å; L433-I461 HydrophobicContact CD2-CB 4.48Å; L433-I461 HydrophobicContact CD2-CG1 4.05Å; L433-A464 HydrophobicContact CD2-CB 3.86Å; L433-A464 HydrophobicContact CG-CB 4.24Å
434L90.6Very high83.9Confident3 Ų359.7 Ų59.72%0.01634%0.34CS..Hα-helixtrans-65.1-46.5172.8-77.1170.3000111.9Y393 F402 I430 S431 L436 G437 L438 A464 M467Y393-L434 HydrophobicContact CE2-CD1 4.49Å; F402-L434 HydrophobicContact CE1-CD2 3.64Å; F402-L434 HydrophobicContact CZ-CD2 3.65Å; F402-L434 HydrophobicContact CZ-CG 4.46Å; I430-L434 PolarHBondContact O-N 3.16Å; S431-L434 PolarHBondContact O-N 3.31Å; L434-L436 PolarHBondContact O-N 3.42Å; L434-G437 PolarHBondContact O-N 2.92Å; L434-L438 HydrophobicContact CD2-CD1 4.21Å; L434-L438 WeakPolarHBondContact O-CB 3.36Å; L434-L438 WeakPolarHBondContact O-CG 3.12Å; L434-L438 PolarHBondContact O-N 3.15Å; L434-L438 VanDerWaalsContact O-N 3.09Å; L434-A464 HydrophobicContact CD2-CB 4.5Å; L434-A464 HydrophobicContact CG-CB 4.33Å; L434-M467 HydrophobicContact CD1-CB 4.16Å; L434-M467 HydrophobicContact CD1-CE 3.47Å; L434-M467 VanDerWaalsContact CD1-CE 3.47Å; L434-M467 HydrophobicContact CD1-CG 4.06Å
435A88.6Confident83.2Confident60 Ų6059.8 Ų59.850%0.49633%0.333SS..Hα-helixtrans-61.5-42-177.200000112.6S431 K432 N439S431-A435 WeakPolarHBondContact O-CB 3.49Å; S431-A435 PolarHBondContact O-N 3Å; K432-A435 PolarHBondContact O-N 3.1Å; A435-N439 VanDerWaalsContact O-CG 3.28Å; A435-N439 PolarHBondContact O-ND2 3.48Å
436L89.3Confident82.9Confident32 Ų3259 Ų5917%0.16833%0.325CS..Hα-helixtrans-81.2-39.9178.2-59.1170.3000112.1K432 L434 L438 N439 V446 Y452 L455K432-L436 HydrophobicContact CG-CD1 3.9Å; K432-L436 VanDerWaalsContact O-CG 3.32Å; K432-L436 WeakPolarHBondContact O-CG 3.38Å; K432-L436 PolarHBondContact O-N 3.01Å; K432-L436 VanDerWaalsContact O-N 3.11Å; L434-L436 PolarHBondContact O-N 3.42Å; L436-L438 PolarHBondContact O-N 3.01Å; L436-N439 WeakPolarHBondContact O-CB 3.39Å; L436-N439 PolarHBondContact O-N 2.85Å; L436-V446 HydrophobicContact CB-CG1 4.3Å; L436-V446 HydrophobicContact CB-CG2 3.54Å; L436-V446 HydrophobicContact CD1-CG2 4.48Å; L436-Y452 HydrophobicContact CD1-CD1 4.21Å; L436-Y452 HydrophobicContact CD1-CE1 4.01Å; L436-L455 HydrophobicContact CD1-CD1 4.21Å
437G86.1Confident82.5Confident1 Ų156.6 Ų56.61%0.0131%0.309CS..Hα-helixtrans-73-21.9-174.600000115.1L433 L434 S443L433-G437 WeakPolarHBondContact O-CA 3.49Å; L433-G437 PolarHBondContact O-N 3.12Å; L434-G437 PolarHBondContact O-N 2.92Å; G437-S443 WeakPolarHBondContact O-CB 3.46Å
438L86.2Confident82.1Confident35 Ų3560.1 Ų60.118%0.18332%0.321CS..THydrogen-bonded Turntrans-90.4-10.3173.5-64.7169.7000112.8Y393 F402 L434 L436 Q440 Y468Y393-L438 HydrophobicContact CD1-CD1 4.03Å; Y393-L438 HydrophobicContact CE1-CD1 3.67Å; Y393-L438 HydrophobicContact CE2-CD1 4.42Å; F402-L438 HydrophobicContact CB-CD2 3.78Å; F402-L438 HydrophobicContact CD1-CD2 4.17Å; F402-L438 HydrophobicContact CG-CD2 3.91Å; F402-L438 HydrophobicContact CG-CG 4.42Å; L434-L438 HydrophobicContact CD2-CD1 4.21Å; L434-L438 WeakPolarHBondContact O-CB 3.36Å; L434-L438 WeakPolarHBondContact O-CG 3.12Å; L434-L438 PolarHBondContact O-N 3.15Å; L434-L438 VanDerWaalsContact O-N 3.09Å; L436-L438 PolarHBondContact O-N 3.01Å; L438-Q440 PolarHBondContact O-N 3.42Å; L438-Y468 HydrophobicContact CD1-CD2 4.31Å; L438-Y468 HydrophobicContact CD2-CD2 4.01Å; L438-Y468 HydrophobicContact CD2-CE2 4.05Å
439N81.3Confident81.7Confident78 Ų7858.1 Ų58.142%0.41731%0.306SS..  trans-76.5108.3173.6-78.7-17.9000110.2A435 L436 K441 E442 S443A435-N439 VanDerWaalsContact O-CG 3.28Å; A435-N439 PolarHBondContact O-ND2 3.48Å; L436-N439 WeakPolarHBondContact O-CB 3.39Å; L436-N439 PolarHBondContact O-N 2.85Å; N439-K441 PolarHBondContact O-N 2.68Å; N439-E442 HydrophobicContact CB-CB 4.27Å; N439-E442 HydrophobicContact CB-CG 4.48Å; N439-E442 PolarHBondContact ND2-OE2 3.12Å; N439-E442 PolarHBondContact O-N 3.47Å; N439-S443 WeakPolarHBondContact O-CB 3.48Å; N439-S443 PolarHBondContact O-N 3.47Å
440Q66.7Low81.1Confident140 Ų14061.8 Ų61.865%0.65433%0.327SS*.THydrogen-bonded Turntrans-54.7-13.3177.8-67.6-178.1-11.100115.7A398 L438A398-Q440 HydrophobicContact CB-CG 3.95Å; L438-Q440 PolarHBondContact O-N 3.42Å
441K64.6Low80.7Confident199 Ų19967.8 Ų67.887%0.86535%0.353SS*.THydrogen-bonded Turntrans-93.7-12.1177.2-67.9-172.9176.4-176.40114.5N439N439-K441 PolarHBondContact O-N 2.68Å
442E64.5Low80.5Confident69 Ų6965.8 Ų65.832%0.32234%0.336SS..THydrogen-bonded Turntrans-129.7-12.3-173.4-59.4177.7135.500111.9N439 D444 D445 V446N439-E442 HydrophobicContact CB-CB 4.27Å; N439-E442 HydrophobicContact CB-CG 4.48Å; N439-E442 PolarHBondContact ND2-OE2 3.12Å; N439-E442 PolarHBondContact O-N 3.47Å; E442-D444 VanDerWaalsContact C-N 3.29Å; E442-D444 PolarHBondContact O-N 2.84Å; E442-D444 VanDerWaalsContact O-N 3.14Å; E442-D445 PolarHBondContact O-N 3.02Å; E442-V446 HydrophobicContact CB-CG2 4.4Å; E442-V446 WeakPolarHBondContact O-CG2 3.31Å; E442-V446 PolarHBondContact O-N 3.18Å
443S64.6Low80.2Confident13 Ų1370.2 Ų70.29%0.09135%0.35CS..THydrogen-bonded Turntrans-60.5-28.4-166.257.50000115.5G437 N439 F447G437-S443 WeakPolarHBondContact O-CB 3.46Å; N439-S443 WeakPolarHBondContact O-CB 3.48Å; N439-S443 PolarHBondContact O-N 3.47Å; S443-F447 VanDerWaalsContact O-CD2 3.32Å; S443-F447 WeakPolarHBondContact O-CD2 3.43Å
444D66Low80Confident79 Ų7973.3 Ų73.342%0.42237%0.367SS..THydrogen-bonded Turntrans-85.5-37.8178.4-87.5-1.5000112.6R405 E442 V446 V448R405-D444 IonicContact CZ-OD1 2.72Å; R405-D444 VanDerWaalsContact CZ-OD1 3.24Å; R405-D444 IonicContact NE-OD1 3.23Å; R405-D444 PolarHBondContact NE-OD1 3.31Å; R405-D444 IonicContact NH2-OD1 2.95Å; R405-D444 PolarHBondContact NH2-OD1 3.13Å; R405-D444 IonicContact NH2-OD2 3.24Å; R405-D444 PolarHBondContact NH2-OD2 3.23Å; E442-D444 VanDerWaalsContact C-N 3.29Å; E442-D444 PolarHBondContact O-N 2.84Å; E442-D444 VanDerWaalsContact O-N 3.14Å; D444-V446 VanDerWaalsContact C-N 3.29Å; D444-V446 PolarHBondContact O-N 3.12Å; D444-V448 WeakPolarHBondContact O-CG2 3.4Å
445D76.1Confident79.9Confident97 Ų9773.2 Ų73.252%0.51937%0.366SS..G310 helixtrans-61.8-39175.9-63.7-23.5000111.1E442 F447 V448 D449 Y452E442-D445 PolarHBondContact O-N 3.02Å; D445-F447 PolarHBondContact O-N 2.6Å; D445-F447 VanDerWaalsContact O-N 3.11Å; D445-V448 PolarHBondContact O-N 3.08Å; D445-D449 WeakPolarHBondContact O-CB 3.48Å; D445-D449 PolarHBondContact O-N 3.34Å; D445-Y452 HydrophobicContact CB-CE2 4.41Å
446V82.7Confident80Confident0 Ų071.9 Ų71.90%035%0.35CS..G310 helixtrans-58.7-27.3-174.5170.40000114.2L433 L436 E442 D444 Y452 M456L433-V446 HydrophobicContact CD1-CG1 3.7Å; L436-V446 HydrophobicContact CB-CG1 4.3Å; L436-V446 HydrophobicContact CB-CG2 3.54Å; L436-V446 HydrophobicContact CD1-CG2 4.48Å; E442-V446 HydrophobicContact CB-CG2 4.4Å; E442-V446 WeakPolarHBondContact O-CG2 3.31Å; E442-V446 PolarHBondContact O-N 3.18Å; D444-V446 VanDerWaalsContact C-N 3.29Å; D444-V446 PolarHBondContact O-N 3.12Å; V446-Y452 HydrophobicContact CG2-CD2 4.49Å; V446-Y452 HydrophobicContact CG2-CE2 4.37Å; V446-M456 VanDerWaalsContact O-CE 3.27Å; V446-M456 WeakPolarHBondContact O-CE 3.44Å
447F83.7Confident80.1Confident23 Ų2374.3 Ų74.310%0.10136%0.361CS..G310 helixtrans-100.4-2.1179.1-66.9-86.2000113.9F402 R405 V409 L433 S443 D445 M456F402-F447 HydrophobicContact CD2-CE2 4.28Å; F402-F447 HydrophobicContact CD2-CZ 4.02Å; F402-F447 AromaticContact CE2-CZ 3.98Å; F402-F447 HydrophobicContact CE2-CZ 3.98Å; R405-F447 HydrophobicContact CB-CD1 4.2Å; R405-F447 HydrophobicContact CB-CD2 3.64Å; R405-F447 HydrophobicContact CB-CE1 4.07Å; R405-F447 HydrophobicContact CB-CE2 3.5Å; R405-F447 VanDerWaalsContact CB-CE2 3.5Å; R405-F447 HydrophobicContact CB-CG 3.99Å; R405-F447 HydrophobicContact CB-CZ 3.72Å; R405-F447 HydrophobicContact CG-CD2 3.98Å; R405-F447 HydrophobicContact CG-CE2 4.09Å; V409-F447 HydrophobicContact CG2-CD1 4.13Å; L433-F447 HydrophobicContact CD1-CE1 4.38Å; L433-F447 HydrophobicContact CD1-CZ 4.31Å; S443-F447 VanDerWaalsContact O-CD2 3.32Å; S443-F447 WeakPolarHBondContact O-CD2 3.43Å; D445-F447 PolarHBondContact O-N 2.6Å; D445-F447 VanDerWaalsContact O-N 3.11Å; F447-M456 HydrophobicContact CD1-CE 3.98Å; F447-M456 HydrophobicContact CD1-SD 3.92Å; F447-M456 HydrophobicContact CE1-CE 4.36Å
448V81.1Confident80.5Confident120 Ų12074.8 Ų74.873%0.72736%0.364SS*.THydrogen-bonded Turntrans-127.2-37.8-171-177.10000113.2D444 D445D444-V448 WeakPolarHBondContact O-CG2 3.4Å; D445-V448 PolarHBondContact O-N 3.08Å
449D81.6Confident80.8Confident69 Ų6975.4 Ų75.437%0.36937%0.367SS..  trans-72.3124.7-179.5175.97.4000111.5D445 K451 Y452D445-D449 WeakPolarHBondContact O-CB 3.48Å; D445-D449 PolarHBondContact O-N 3.34Å; D449-K451 HydrophobicContact CB-CB 4.49Å; D449-K451 PolarHBondContact O-N 3.04Å; D449-K451 WeakPolarHBondContact OD1-CB 3.37Å; D449-K451 PolarHBondContact OD1-N 3.07Å; D449-K451 WeakPolarHBondContact OD2-CB 3.34Å; D449-K451 WeakPolarHBondContact OD2-CD 3.31Å; D449-Y452 HydrophobicContact CB-CD2 3.9Å; D449-Y452 HydrophobicContact CB-CE2 4.09Å; D449-Y452 PolarHBondContact O-N 3.36Å
450D81.8Confident81.5Confident117 Ų11771.7 Ų71.763%0.62635%0.347SS*.G310 helixtrans-52.3-26.3176.4-105.1-54000112.6Y452 R453D450-Y452 PolarHBondContact O-N 2.63Å; D450-Y452 VanDerWaalsContact O-N 3.15Å; D450-R453 WeakPolarHBondContact O-CB 3.08Å; D450-R453 PolarHBondContact O-N 3.15Å; D450-R453 VanDerWaalsContact O-N 3.08Å; D450-R453 VanDerWaalsContact OD1-CD 3.26Å; D450-R453 WeakPolarHBondContact OD1-CD 3.43Å; D450-R453 IonicContact OD1-NH1 3.88Å; D450-R453 PolarHBondContact OD1-NH1 2.88Å
451K85.2Confident82.9Confident140 Ų14065 Ų6561%0.60932%0.316SS*.G310 helixtrans-52.7-30.1172.1-175.8-172.5173.1-162.70113.9D449D449-K451 HydrophobicContact CB-CB 4.49Å; D449-K451 PolarHBondContact O-N 3.04Å; D449-K451 WeakPolarHBondContact OD1-CB 3.37Å; D449-K451 PolarHBondContact OD1-N 3.07Å; D449-K451 WeakPolarHBondContact OD2-CB 3.34Å; D449-K451 WeakPolarHBondContact OD2-CD 3.31Å
452Y85.6Confident84.4Confident22 Ų2255.5 Ų55.59%0.08628%0.275CS..G310 helixtrans-105.911.4-178.6-51.6-67.6000113.4L436 D445 V446 D449 D450 D454 L455L436-Y452 HydrophobicContact CD1-CD1 4.21Å; L436-Y452 HydrophobicContact CD1-CE1 4.01Å; D445-Y452 HydrophobicContact CB-CE2 4.41Å; V446-Y452 HydrophobicContact CG2-CD2 4.49Å; V446-Y452 HydrophobicContact CG2-CE2 4.37Å; D449-Y452 HydrophobicContact CB-CD2 3.9Å; D449-Y452 HydrophobicContact CB-CE2 4.09Å; D449-Y452 PolarHBondContact O-N 3.36Å; D450-Y452 PolarHBondContact O-N 2.63Å; D450-Y452 VanDerWaalsContact O-N 3.15Å; Y452-D454 PolarHBondContact O-N 3.32Å; Y452-L455 WeakPolarHBondContact O-CB 3.12Å; Y452-L455 PolarHBondContact O-N 3.49Å
453R86Confident85.9Confident178 Ų17852.6 Ų52.667%0.67226%0.262SS*.THydrogen-bonded Turntrans-56.4-22177-176.4169.3172179.9-1.8113.6D450 L455 M456D450-R453 WeakPolarHBondContact O-CB 3.08Å; D450-R453 PolarHBondContact O-N 3.15Å; D450-R453 VanDerWaalsContact O-N 3.08Å; D450-R453 VanDerWaalsContact OD1-CD 3.26Å; D450-R453 WeakPolarHBondContact OD1-CD 3.43Å; D450-R453 IonicContact OD1-NH1 3.88Å; D450-R453 PolarHBondContact OD1-NH1 2.88Å; R453-L455 VanDerWaalsContact C-N 3.3Å; R453-L455 PolarHBondContact O-N 2.95Å; R453-M456 PolarHBondContact O-N 3.19Å
454D86.9Confident87.4Confident65 Ų6552 Ų5235%0.34826%0.258SS..THydrogen-bonded Turntrans-65.2-30.4171.878.2-58.3000113.4K429 K432 Y452K429-D454 WeakPolarHBondContact CD-O 3.42Å; K429-D454 VanDerWaalsContact CE-O 3.31Å; K429-D454 WeakPolarHBondContact CE-O 3.49Å; K429-D454 PolarHBondContact NZ-O 3.49Å; K432-D454 IonicContact NZ-OD1 2.76Å; K432-D454 PolarHBondContact NZ-OD1 3.16Å; K432-D454 IonicContact NZ-OD2 3.71Å; K432-D454 PolarHBondContact NZ-OD2 2.9Å; Y452-D454 PolarHBondContact O-N 3.32Å
455L88.7Confident88.8Confident0 Ų048.3 Ų48.30%024%0.238CC..THydrogen-bonded Turntrans-83.2-23.8177.8-58.6-177.2000112.8K429 K432 L433 L436 Y452 R453 E457 T460K429-L455 HydrophobicContact CB-CD2 3.81Å; K429-L455 HydrophobicContact CG-CD2 4.18Å; K432-L455 HydrophobicContact CB-CD2 4.18Å; K432-L455 HydrophobicContact CD-CD1 4.27Å; K432-L455 HydrophobicContact CD-CD2 3.86Å; K432-L455 HydrophobicContact CD-CG 4.48Å; K432-L455 HydrophobicContact CG-CD1 4.01Å; K432-L455 HydrophobicContact CG-CD2 4.07Å; L433-L455 HydrophobicContact CB-CD1 4.29Å; L433-L455 HydrophobicContact CD1-CD1 4.39Å; L436-L455 HydrophobicContact CD1-CD1 4.21Å; Y452-L455 WeakPolarHBondContact O-CB 3.12Å; Y452-L455 PolarHBondContact O-N 3.49Å; R453-L455 VanDerWaalsContact C-N 3.3Å; R453-L455 PolarHBondContact O-N 2.95Å; L455-E457 PolarHBondContact O-N 2.88Å; L455-T460 WeakPolarHBondContact O-CG2 3.48Å
456M90.5Very high89.7Confident32 Ų3245.4 Ų45.416%0.15822%0.221CC..  trans-76.833-173-64.2-60.7113.500114.1R413 L433 V446 F447 R453 I461R413-M456 PolarHBondContact NH2-O 3.19Å; L433-M456 HydrophobicContact CD1-CE 3.77Å; V446-M456 VanDerWaalsContact O-CE 3.27Å; V446-M456 WeakPolarHBondContact O-CE 3.44Å; F447-M456 HydrophobicContact CD1-CE 3.98Å; F447-M456 HydrophobicContact CD1-SD 3.92Å; F447-M456 HydrophobicContact CE1-CE 4.36Å; R453-M456 PolarHBondContact O-N 3.19Å; M456-I461 HydrophobicContact SD-CD1 3.91Å
457E91.9Very high90.2Very high84 Ų8447.4 Ų47.439%0.39323%0.231SC..  trans-80.4132.7167.9-68.5164160.700109.8K429 L455 N459 T460 I461K429-E457 VanDerWaalsContact CD-OE2 3.29Å; K429-E457 WeakPolarHBondContact CD-OE2 3.38Å; K429-E457 IonicContact NZ-OE1 2.68Å; K429-E457 PolarHBondContact NZ-OE1 2.83Å; K429-E457 IonicContact NZ-OE2 2.71Å; K429-E457 PolarHBondContact NZ-OE2 2.85Å; L455-E457 PolarHBondContact O-N 2.88Å; E457-N459 VanDerWaalsContact C-N 3.3Å; E457-N459 PolarHBondContact O-N 2.82Å; E457-T460 WeakPolarHBondContact O-CA 3.31Å; E457-T460 WeakPolarHBondContact O-CB 3.29Å; E457-T460 PolarHBondContact O-N 3.28Å; E457-T460 PolarHBondContact OE2-OG1 3Å; E457-I461 PolarHBondContact O-N 2.94Å
458S94.2Very high90.7Very high11 Ų1146.4 Ų46.48%0.07723%0.226CC..Hα-helixtrans-57-41.6-175.2-43.90000112.9R413 D417 T460 I461 A462R413-S458 PolarHBondContact NH1-OG 3.41Å; D417-S458 WeakPolarHBondContact OD2-CB 3.48Å; D417-S458 PolarHBondContact OD2-OG 3.05Å; S458-T460 VanDerWaalsContact C-N 3.28Å; S458-T460 PolarHBondContact O-N 2.84Å; S458-I461 PolarHBondContact O-N 3.04Å; S458-A462 WeakPolarHBondContact O-CB 3.25Å; S458-A462 PolarHBondContact O-N 3.4Å
459N94.2Very high91.4Very high47 Ų4740.7 Ų40.725%0.25119%0.191SC..Hα-helixtrans-64.7-30.9175.7-66.4-28.2000112.8G425 E457 S463G425-N459 PolarHBondContact N-O 3.29Å; E457-N459 VanDerWaalsContact C-N 3.3Å; E457-N459 PolarHBondContact O-N 2.82Å; N459-S463 WeakPolarHBondContact O-CB 3.47Å; N459-S463 PolarHBondContact O-N 2.9Å; N459-S463 PolarHBondContact O-OG 3.44Å
460T95.2Very high91.9Very high0 Ų043.9 Ų43.90%020%0.198CC..Hα-helixtrans-72.6-47176.3-660000110.6K429 I430 L433 L455 E457 S458 S463 A464K429-T460 HydrophobicContact CB-CG2 3.63Å; I430-T460 HydrophobicContact CG1-CG2 4.08Å; L433-T460 HydrophobicContact CD2-CG2 4.29Å; L455-T460 WeakPolarHBondContact O-CG2 3.48Å; E457-T460 WeakPolarHBondContact O-CA 3.31Å; E457-T460 WeakPolarHBondContact O-CB 3.29Å; E457-T460 PolarHBondContact O-N 3.28Å; E457-T460 PolarHBondContact OE2-OG1 3Å; S458-T460 VanDerWaalsContact C-N 3.28Å; S458-T460 PolarHBondContact O-N 2.84Å; T460-S463 PolarHBondContact O-N 3.34Å; T460-A464 WeakPolarHBondContact O-CB 3.41Å; T460-A464 PolarHBondContact O-N 2.74Å
461I95.6Very high92.3Very high0 Ų040.9 Ų40.90%018%0.182CC..Hα-helixtrans-61.5-49.8174.9-58.1173.6000110.8C406 V409 L410 L433 M456 E457 S458 S463 A464 L465C406-I461 HydrophobicContact CB-CG2 3.67Å; V409-I461 HydrophobicContact CB-CD1 4.19Å; V409-I461 HydrophobicContact CG1-CD1 3.51Å; L410-I461 HydrophobicContact CD1-CG2 3.98Å; L410-I461 HydrophobicContact CD2-CB 4.2Å; L410-I461 HydrophobicContact CD2-CG2 4.3Å; L410-I461 HydrophobicContact CG-CB 4.39Å; L410-I461 HydrophobicContact CG-CG2 3.94Å; L433-I461 HydrophobicContact CD2-CB 4.48Å; L433-I461 HydrophobicContact CD2-CG1 4.05Å; M456-I461 HydrophobicContact SD-CD1 3.91Å; E457-I461 PolarHBondContact O-N 2.94Å; S458-I461 PolarHBondContact O-N 3.04Å; I461-S463 VanDerWaalsContact C-N 3.26Å; I461-S463 PolarHBondContact O-N 3.39Å; I461-A464 PolarHBondContact O-N 2.95Å; I461-A464 VanDerWaalsContact O-N 3.1Å; I461-L465 PolarHBondContact O-N 3.4Å
462A96.6Very high92.5Very high0 Ų034.6 Ų34.60%016%0.156CC..Hα-helixtrans-60-35178.400000112.5L410 I420 Y421 S458 K466L410-A462 HydrophobicContact CD1-CB 4.03Å; I420-A462 HydrophobicContact CG1-CB 4.18Å; Y421-A462 HydrophobicContact CD1-CB 3.59Å; Y421-A462 WeakPolarHBondContact CD1-O 3.43Å; Y421-A462 HydrophobicContact CE1-CB 3.55Å; Y421-A462 WeakPolarHBondContact CE1-O 3.45Å; Y421-A462 HydrophobicContact CG-CB 4.22Å; S458-A462 WeakPolarHBondContact O-CB 3.25Å; S458-A462 PolarHBondContact O-N 3.4Å; A462-K466 WeakPolarHBondContact O-CG 3.2Å; A462-K466 PolarHBondContact O-N 3.33Å
463S95.7Very high92.5Very high8 Ų837.4 Ų37.46%0.05617%0.172CC..Hα-helixtrans-76.1-33.1175.2-60.50000112.9G425 N459 T460 I461 M467G425-S463 PolarHBondContact N-OG 3.27Å; N459-S463 WeakPolarHBondContact O-CB 3.47Å; N459-S463 PolarHBondContact O-N 2.9Å; N459-S463 PolarHBondContact O-OG 3.44Å; T460-S463 PolarHBondContact O-N 3.34Å; I461-S463 VanDerWaalsContact C-N 3.26Å; I461-S463 PolarHBondContact O-N 3.39Å; S463-M467 WeakPolarHBondContact O-CB 3.33Å; S463-M467 PolarHBondContact O-N 3.48Å
464A95.2Very high92.5Very high0 Ų032 Ų320%015%0.154CC..Hα-helixtrans-68.4-42.3174.900000111.6F402 I430 L433 L434 T460 I461 K466 M467 Y468F402-A464 HydrophobicContact CZ-CB 3.98Å; I430-A464 HydrophobicContact CG2-CB 3.96Å; L433-A464 HydrophobicContact CD2-CB 3.86Å; L433-A464 HydrophobicContact CG-CB 4.24Å; L434-A464 HydrophobicContact CD2-CB 4.5Å; L434-A464 HydrophobicContact CG-CB 4.33Å; T460-A464 WeakPolarHBondContact O-CB 3.41Å; T460-A464 PolarHBondContact O-N 2.74Å; I461-A464 PolarHBondContact O-N 2.95Å; I461-A464 VanDerWaalsContact O-N 3.1Å; A464-K466 PolarHBondContact O-N 3.02Å; A464-M467 PolarHBondContact O-N 2.92Å; A464-M467 VanDerWaalsContact O-N 3.15Å; A464-Y468 PolarHBondContact O-N 2.92Å
465L96.2Very high92.8Very high2 Ų228.9 Ų28.91%0.0114%0.138CC..Hα-helixtrans-54.5-52171.4-177.6150000111.4I403 C406 I407 Y421 I461 M467 Y468 L469 F544I403-L465 HydrophobicContact CD1-CB 4.29Å; I403-L465 HydrophobicContact CD1-CD1 4.35Å; I403-L465 HydrophobicContact CD1-CG 3.73Å; I403-L465 HydrophobicContact CG2-CD1 4.4Å; C406-L465 HydrophobicContact CB-CB 4.34Å; C406-L465 HydrophobicContact CB-CD1 3.96Å; I407-L465 HydrophobicContact CD1-CD1 4.32Å; I407-L465 HydrophobicContact CG1-CD1 3.77Å; Y421-L465 HydrophobicContact CE1-CB 4.48Å; Y421-L465 HydrophobicContact CE1-CD2 3.89Å; I461-L465 PolarHBondContact O-N 3.4Å; L465-M467 VanDerWaalsContact C-N 3.33Å; L465-M467 PolarHBondContact O-N 2.76Å; L465-Y468 PolarHBondContact O-N 3.33Å; L465-L469 HydrophobicContact CD2-CD1 3.7Å; L465-L469 HydrophobicContact CG-CD1 4.47Å; L465-L469 WeakPolarHBondContact O-CG 3.2Å; L465-L469 PolarHBondContact O-N 3.48Å; L465-F544 HydrophobicContact CD2-CE1 4.08Å; L465-F544 HydrophobicContact CD2-CZ 4.21Å
466K95.3Very high93.1Very high35 Ų3528.9 Ų28.915%0.15214%0.138CC..Hα-helixtrans-59.9-41.7175.3-71.6-172.9-54.1169.30112.4Y421 A462 A464 L469 R470 V543 F544Y421-K466 HydrophobicContact CD1-CD 4.08Å; Y421-K466 HydrophobicContact CD1-CG 3.93Å; Y421-K466 HydrophobicContact CE1-CG 4.49Å; Y421-K466 WeakPolarHBondContact O-CE 3.39Å; Y421-K466 PolarHBondContact O-NZ 3.2Å; A462-K466 WeakPolarHBondContact O-CG 3.2Å; A462-K466 PolarHBondContact O-N 3.33Å; A464-K466 PolarHBondContact O-N 3.02Å; K466-L469 PolarHBondContact O-N 3.46Å; K466-R470 VanDerWaalsContact O-CB 3.29Å; K466-R470 WeakPolarHBondContact O-CB 3.26Å; K466-R470 PolarHBondContact O-N 2.91Å; K466-V543 HydrophobicContact CD-CG1 3.51Å; K466-F544 HydrophobicContact CD-CZ 4.36Å; K466-F544 HydrophobicContact CG-CE1 4.06Å; K466-F544 HydrophobicContact CG-CZ 3.85Å
467M93.2Very high93.2Very high42 Ų4227.4 Ų27.421%0.20713%0.13CC..Hα-helixtrans-72-34.2-175.8-169.7153.289.100112.5I430 L434 S463 A464 L465 N471I430-M467 HydrophobicContact CG2-CE 3.75Å; L434-M467 HydrophobicContact CD1-CB 4.16Å; L434-M467 HydrophobicContact CD1-CE 3.47Å; L434-M467 VanDerWaalsContact CD1-CE 3.47Å; L434-M467 HydrophobicContact CD1-CG 4.06Å; S463-M467 WeakPolarHBondContact O-CB 3.33Å; S463-M467 PolarHBondContact O-N 3.48Å; A464-M467 PolarHBondContact O-N 2.92Å; A464-M467 VanDerWaalsContact O-N 3.15Å; L465-M467 VanDerWaalsContact C-N 3.33Å; L465-M467 PolarHBondContact O-N 2.76Å; M467-N471 WeakPolarHBondContact O-CB 3.44Å; M467-N471 PolarHBondContact O-N 2.93Å; M467-N471 PolarHBondContact O-OD1 3.25Å
468Y95Very high93.3Very high2 Ų223.5 Ų23.51%0.00811%0.112CC..Hα-helixtrans-57.8-55.7167.3170.7-93.9000110.7Y393 H394 G399 F402 I403 L438 A464 L465 R470 N471 L472 M515Y393-Y468 AromaticContact CD2-CD2 3.66Å; Y393-Y468 HydrophobicContact CD2-CD2 3.66Å; Y393-Y468 HydrophobicContact CD2-CE2 4.27Å; Y393-Y468 HydrophobicContact CD2-CG 4.32Å; Y393-Y468 HydrophobicContact CE2-CD2 4.33Å; Y393-Y468 AromaticContact CG-CD2 3.93Å; Y393-Y468 HydrophobicContact CG-CD2 3.93Å; Y393-Y468 HydrophobicContact CG-CE2 4.1Å; H394-Y468 PolarHBondContact O-OH 3.44Å; G399-Y468 WeakPolarHBondContact CA-OH 3.41Å; F402-Y468 HydrophobicContact CD1-CG 4.42Å; I403-Y468 HydrophobicContact CD1-CD1 3.48Å; I403-Y468 VanDerWaalsContact CD1-CD1 3.48Å; I403-Y468 HydrophobicContact CD1-CE1 4.17Å; I403-Y468 HydrophobicContact CD1-CG 4.11Å; I403-Y468 HydrophobicContact CG1-CD1 3.59Å; I403-Y468 HydrophobicContact CG1-CE1 3.76Å; I403-Y468 HydrophobicContact CG1-CG 4.38Å; L438-Y468 HydrophobicContact CD1-CD2 4.31Å; L438-Y468 HydrophobicContact CD2-CD2 4.01Å; L438-Y468 HydrophobicContact CD2-CE2 4.05Å; A464-Y468 PolarHBondContact O-N 2.92Å; L465-Y468 PolarHBondContact O-N 3.33Å; Y468-R470 VanDerWaalsContact C-N 3.27Å; Y468-R470 PolarHBondContact O-N 3.43Å; Y468-N471 CarbonylContact O-C 3.54Å; Y468-N471 PolarHBondContact O-N 3.27Å; Y468-L472 HydrophobicContact CE1-CD2 4Å; Y468-L472 HydrophobicContact CE1-CG 4.4Å; Y468-L472 HydrophobicContact CE2-CD2 4.34Å; Y468-L472 PolarHBondContact O-N 3.16Å; Y468-L472 VanDerWaalsContact O-N 3.15Å; Y468-M515 HydrophobicContact CE1-SD 4.45Å
469L94.9Very high93.1Very high0 Ų027 Ų270%012%0.124CC..Hα-helixtrans-61.3-34.1-177.3-64.5172.7000112.8I403 L465 K466 L472 L476 M515 V519 F544 T547 L548 R550I403-L469 HydrophobicContact CD1-CD2 4.46Å; I403-L469 HydrophobicContact CD1-CG 4.29Å; L465-L469 HydrophobicContact CD2-CD1 3.7Å; L465-L469 HydrophobicContact CG-CD1 4.47Å; L465-L469 WeakPolarHBondContact O-CG 3.2Å; L465-L469 PolarHBondContact O-N 3.48Å; K466-L469 PolarHBondContact O-N 3.46Å; L469-L472 HydrophobicContact CD2-CD1 4.24Å; L469-L476 HydrophobicContact CD2-CD2 4.33Å; L469-M515 HydrophobicContact CD2-CG 4.25Å; L469-M515 HydrophobicContact CD2-SD 4.48Å; L469-V519 HydrophobicContact CD1-CG1 4.33Å; L469-V519 HydrophobicContact CD1-CG2 3.94Å; L469-F544 HydrophobicContact CD1-CE1 4.42Å; L469-T547 HydrophobicContact CB-CG2 4.02Å; L469-L548 HydrophobicContact CB-CD2 4.28Å; L469-L548 HydrophobicContact CD1-CD2 4.05Å; L469-R550 PolarHBondContact O-NH1 2.83Å
470R91.1Very high92.9Very high136 Ų13631.3 Ų31.351%0.51314%0.143SC..Hα-helixtrans-71.7-32.3175-169177.966.7176.3-1.6113.3K466 Y468 T547 R550K466-R470 VanDerWaalsContact O-CB 3.29Å; K466-R470 WeakPolarHBondContact O-CB 3.26Å; K466-R470 PolarHBondContact O-N 2.91Å; Y468-R470 VanDerWaalsContact C-N 3.27Å; Y468-R470 PolarHBondContact O-N 3.43Å; R470-T547 HydrophobicContact CB-CG2 4.35Å; R470-R550 PolarHBondContact O-NE 2.85Å; R470-R550 PolarHBondContact O-NH1 3.07Å; R470-R550 PolarHBondContact O-NH2 3.04Å
471N90.6Very high92.8Very high54 Ų5433.2 Ų33.229%0.28915%0.151SC..Hα-helixtrans-95.24.9-175.7-66.59.9000113.5Y393 M467 Y468Y393-N471 HydrophobicContact CD2-CB 3.53Å; Y393-N471 HydrophobicContact CE2-CB 3.58Å; Y393-N471 PolarHBondContact N-O 2.94Å; M467-N471 WeakPolarHBondContact O-CB 3.44Å; M467-N471 PolarHBondContact O-N 2.93Å; M467-N471 PolarHBondContact O-OD1 3.25Å; Y468-N471 CarbonylContact O-C 3.54Å; Y468-N471 PolarHBondContact O-N 3.27Å
472L90.1Very high92.7Very high9 Ų934.1 Ų34.15%0.04716%0.155CC..BIsolated β-bridgetrans-55.6145.4167.1-71.8170.6000111.1Y393 L395 Y468 L469 E474 L476 R550Y393-L472 CarbonylContact O-C 3.59Å; Y393-L472 WeakPolarHBondContact O-CA 3.21Å; L395-L472 HydrophobicContact CD2-CD1 3.85Å; L395-L472 HydrophobicContact CD2-CD2 3.85Å; L395-L472 HydrophobicContact CG-CD1 4.4Å; L395-L472 HydrophobicContact CG-CD2 4.1Å; Y468-L472 HydrophobicContact CE1-CD2 4Å; Y468-L472 HydrophobicContact CE1-CG 4.4Å; Y468-L472 HydrophobicContact CE2-CD2 4.34Å; Y468-L472 PolarHBondContact O-N 3.16Å; Y468-L472 VanDerWaalsContact O-N 3.15Å; L469-L472 HydrophobicContact CD2-CD1 4.24Å; L472-E474 WeakPolarHBondContact CB-O 3.37Å; L472-E474 PolarHBondContact O-N 3.28Å; L472-L476 HydrophobicContact CD1-CB 4.49Å; L472-R550 PolarHBondContact O-NH2 3.42Å
473N85.4Confident92.4Very high81 Ų8138 Ų3843%0.43318%0.181SC..SBendtrans-54.7-32.717762.7-5.7000113.6A392 Y393 H394A392-N473 HydrophobicContact CB-CB 3.93Å; Y393-N473 PolarHBondContact O-N 3.38Å; H394-N473 PolarHBondContact CD2-ND2 3.16Å; H394-N473 PolarHBondContact NE2-ND2 3.43Å
474E86.7Confident92.3Very high64 Ų6441 Ų4130%0.29920%0.197SC..SBendtrans-128149.8171.2-164.2173.9-163.900109.1L472 T478 Y479 R550L472-E474 WeakPolarHBondContact CB-O 3.37Å; L472-E474 PolarHBondContact O-N 3.28Å; E474-T478 WeakPolarHBondContact OE1-CA 3.5Å; E474-T478 WeakPolarHBondContact OE1-CB 3.39Å; E474-Y479 HydrophobicContact CG-CD2 3.63Å; E474-Y479 HydrophobicContact CG-CE2 4.08Å; E474-Y479 HydrophobicContact CG-CG 4.18Å; E474-Y479 PolarHBondContact OE1-N 3.23Å; E474-R550 VanDerWaalsContact C-NH2 3.28Å; E474-R550 PolarHBondContact O-NH2 2.96Å; E474-R550 VanDerWaalsContact O-NH2 3.08Å
475P91.8Very high92.4Very high0 Ų041 Ų410%020%0.197CC..  trans-52.2146.8164.619.4-32.6000112M477 T478 Y479 L548 R550P475-M477 PolarHBondContact O-N 3.49Å; P475-M477 VanDerWaalsContact O-N 3.13Å; P475-T478 WeakPolarHBondContact O-CA 3.32Å; P475-T478 PolarHBondContact O-N 3.41Å; P475-Y479 VanDerWaalsContact CD-CE1 3.46Å; P475-Y479 HydrophobicContact CG-CD1 3.66Å; P475-Y479 HydrophobicContact CG-CD2 4.48Å; P475-Y479 HydrophobicContact CG-CE1 3.71Å; P475-Y479 HydrophobicContact CG-CE2 4.5Å; P475-Y479 HydrophobicContact CG-CG 4.06Å; P475-L548 VanDerWaalsContact CB-O 3.3Å; P475-L548 WeakPolarHBondContact CB-O 3.36Å; P475-R550 HydrophobicContact CB-CB 3.97Å; P475-R550 HydrophobicContact CB-CG 4.23Å; P475-R550 HydrophobicContact CG-CB 4.12Å
476L94.9Very high92.2Very high0 Ų041.1 Ų41.10%020%0.198CC..THydrogen-bonded Turntrans-57-34.3-177.3-179.958000112.1L395 L469 L472 T478 N512 M515 L516 L548L395-L476 HydrophobicContact CD1-CD1 4Å; L395-L476 HydrophobicContact CD2-CD1 4.25Å; L469-L476 HydrophobicContact CD2-CD2 4.33Å; L472-L476 HydrophobicContact CD1-CB 4.49Å; L476-T478 VanDerWaalsContact C-N 3.29Å; L476-T478 PolarHBondContact O-N 3.42Å; L476-N512 HydrophobicContact CD1-CB 4.33Å; L476-N512 WeakPolarHBondContact O-CB 3.46Å; L476-N512 PolarHBondContact O-ND2 3.08Å; L476-M515 HydrophobicContact CD1-CB 3.86Å; L476-M515 HydrophobicContact CD1-CG 3.9Å; L476-M515 HydrophobicContact CD2-CG 4.08Å; L476-L516 HydrophobicContact CD2-CB 4.06Å; L476-L516 HydrophobicContact CD2-CD1 3.87Å; L476-L516 HydrophobicContact CG-CB 4.34Å; L476-L516 HydrophobicContact CG-CD1 4.35Å; L476-L548 HydrophobicContact CB-CD2 4.17Å; L476-L548 HydrophobicContact CD2-CD2 3.99Å; L476-L548 PolarHBondContact N-O 3.2Å
477M94.2Very high92.2Very high0 Ų044.1 Ų44.10%021%0.212CC..THydrogen-bonded Turntrans-88.511.8177.4-60-175.265.300114P475 F485 L508 L516 L548 L549 V568 I569 L572P475-M477 PolarHBondContact O-N 3.49Å; P475-M477 VanDerWaalsContact O-N 3.13Å; M477-F485 HydrophobicContact CB-CD2 4.32Å; M477-F485 HydrophobicContact CB-CE2 4.08Å; M477-F485 HydrophobicContact CE-CD1 3.6Å; M477-F485 HydrophobicContact CE-CD2 3.79Å; M477-F485 HydrophobicContact CE-CE1 3.39Å; M477-F485 HydrophobicContact CE-CE2 3.61Å; M477-F485 HydrophobicContact CE-CG 3.81Å; M477-F485 HydrophobicContact CE-CZ 3.4Å; M477-F485 VanDerWaalsContact CE-CZ 3.4Å; M477-L508 WeakPolarHBondContact O-CD2 3.4Å; M477-L516 HydrophobicContact CE-CD2 4.49Å; M477-L516 HydrophobicContact CG-CD1 4.16Å; M477-L516 HydrophobicContact CG-CD2 4.21Å; M477-L516 HydrophobicContact SD-CD1 4.32Å; M477-L516 HydrophobicContact SD-CD2 4.49Å; M477-L548 HydrophobicContact CG-CB 4.49Å; M477-L548 PolarHBondContact N-O 3.25Å; M477-L548 HydrophobicContact SD-CB 4.4Å; M477-L549 HydrophobicContact CB-CD2 3.64Å; M477-L549 HydrophobicContact CB-CG 4.13Å; M477-L549 HydrophobicContact CE-CD1 4.41Å; M477-L549 HydrophobicContact CE-CD2 4.35Å; M477-L549 HydrophobicContact CE-CG 4.47Å; M477-L549 HydrophobicContact CG-CD2 4.41Å; M477-L549 HydrophobicContact CG-CG 4.43Å; M477-L549 HydrophobicContact SD-CD1 4Å; M477-L549 HydrophobicContact SD-CD2 4.12Å; M477-L549 HydrophobicContact SD-CG 3.77Å; M477-V568 HydrophobicContact CE-CG1 3.7Å; M477-V568 HydrophobicContact SD-CG1 4.43Å; M477-I569 HydrophobicContact SD-CD1 3.97Å; M477-L572 HydrophobicContact CE-CD1 3.95Å; M477-L572 HydrophobicContact SD-CD1 4Å
478T92.2Very high92.3Very high2 Ų242.3 Ų42.31%0.01220%0.204CC..  trans65.6152.1-177.974.30000115.8E474 P475 L476 Q480 Y481 H482 L508 P509E474-T478 WeakPolarHBondContact OE1-CA 3.5Å; E474-T478 WeakPolarHBondContact OE1-CB 3.39Å; P475-T478 WeakPolarHBondContact O-CA 3.32Å; P475-T478 PolarHBondContact O-N 3.41Å; L476-T478 VanDerWaalsContact C-N 3.29Å; L476-T478 PolarHBondContact O-N 3.42Å; T478-Q480 VanDerWaalsContact C-N 3.31Å; T478-Y481 HydrophobicContact CG2-CD2 4.49Å; T478-Y481 VanDerWaalsContact OG1-CD2 3.28Å; T478-Y481 WeakPolarHBondContact OG1-CD2 3.41Å; T478-Y481 PolarHBondContact OG1-N 3.3Å; T478-H482 PolarHBondContact O-N 3.05Å; T478-L508 HydrophobicContact CG2-CD2 4.04Å; T478-P509 HydrophobicContact CG2-CG 4.4Å
479Y90.3Very high92.3Very high84 Ų8442.3 Ų42.333%0.32921%0.205SC..SBendtrans-71.9-29.2163.8-68.5-54.8000111.1E474 P475 R550 R552E474-Y479 HydrophobicContact CG-CD2 3.63Å; E474-Y479 HydrophobicContact CG-CE2 4.08Å; E474-Y479 HydrophobicContact CG-CG 4.18Å; E474-Y479 PolarHBondContact OE1-N 3.23Å; P475-Y479 VanDerWaalsContact CD-CE1 3.46Å; P475-Y479 HydrophobicContact CG-CD1 3.66Å; P475-Y479 HydrophobicContact CG-CD2 4.48Å; P475-Y479 HydrophobicContact CG-CE1 3.71Å; P475-Y479 HydrophobicContact CG-CE2 4.5Å; P475-Y479 HydrophobicContact CG-CG 4.06Å; Y479-R550 WeakPolarHBondContact CD1-O 3.48Å; Y479-R550 HydrophobicContact CE1-CB 4.38Å; Y479-R550 VanDerWaalsContact CE1-O 3.25Å; Y479-R550 WeakPolarHBondContact CE1-O 3.49Å; Y479-R552 HydrophobicContact CD1-CB 3.83Å; Y479-R552 HydrophobicContact CD1-CG 4.44Å; Y479-R552 HydrophobicContact CE1-CB 4.29Å; Y479-R552 HydrophobicContact CG-CB 4.29Å
480Q91.3Very high92.2Very high139 Ų13943.9 Ų43.965%0.6521%0.212SC*.THydrogen-bonded Turntrans-59.3-50179.9178.6176.4-1800112T478T478-Q480 VanDerWaalsContact C-N 3.31Å
481Y93.1Very high92.3Very high40 Ų4040.9 Ų40.916%0.15720%0.203CC..THydrogen-bonded Turntrans-961.9-177.3-57.6-63000113.8T478 S483 D484 F485 L504 K507 L508T478-Y481 HydrophobicContact CG2-CD2 4.49Å; T478-Y481 VanDerWaalsContact OG1-CD2 3.28Å; T478-Y481 WeakPolarHBondContact OG1-CD2 3.41Å; T478-Y481 PolarHBondContact OG1-N 3.3Å; Y481-S483 PolarHBondContact O-N 2.9Å; Y481-D484 PolarHBondContact O-N 3.31Å; Y481-D484 VanDerWaalsContact O-N 3.16Å; Y481-F485 WeakPolarHBondContact O-CD2 3.22Å; Y481-F485 PolarHBondContact O-N 3.29Å; Y481-L504 HydrophobicContact CD1-CD2 4.4Å; Y481-K507 HydrophobicContact CE1-CB 4.11Å; Y481-K507 HydrophobicContact CE1-CD 4.27Å; Y481-K507 HydrophobicContact CE2-CB 4.18Å; Y481-K507 WeakPolarHBondContact CE2-O 3.45Å; Y481-K507 PolarHBondContact OH-O 3.47Å; Y481-K507 VanDerWaalsContact OH-O 3.07Å; Y481-L508 HydrophobicContact CD2-CD2 4.08Å
482H92.1Very high92.1Very high19 Ų1946.5 Ų46.59%0.08823%0.228CC..Hα-helixtrans-52.4-54.5-178.7-179.9-68.9000111.7T478 D484 F485 I486 R550 P551T478-H482 PolarHBondContact O-N 3.05Å; H482-D484 VanDerWaalsContact C-N 3.33Å; H482-D484 PolarHBondContact O-N 3.15Å; H482-F485 PolarHBondContact O-N 3.21Å; H482-I486 WeakPolarHBondContact O-CG1 3.29Å; H482-I486 PolarHBondContact O-N 2.85Å; H482-I486 VanDerWaalsContact O-N 3.12Å; H482-R550 VanDerWaalsContact CD2-C 3.48Å; H482-R550 PolarHBondContact CD2-O 3.08Å; H482-P551 WeakPolarHBondContact NE2-CA 3.44Å
483S90.6Very high92.2Very high80 Ų8049.3 Ų49.356%0.55925%0.245SC*.Hα-helixtrans-59.9-42.2179.3-66.90000112.2Y481 F485 I486 E487Y481-S483 PolarHBondContact O-N 2.9Å; S483-F485 VanDerWaalsContact C-N 3.34Å; S483-F485 PolarHBondContact O-N 3.33Å; S483-I486 PolarHBondContact O-N 3.26Å; S483-I486 VanDerWaalsContact O-N 3.15Å; S483-E487 WeakPolarHBondContact O-CG 3.27Å; S483-E487 PolarHBondContact O-N 3.06Å
484D94.2Very high92.4Very high72 Ų7249.3 Ų49.339%0.38525%0.245SC..Hα-helixtrans-60.9-41.7177.8-61.2-2.9000111.7Y481 H482 I486 E487 A488 L504Y481-D484 PolarHBondContact O-N 3.31Å; Y481-D484 VanDerWaalsContact O-N 3.16Å; H482-D484 VanDerWaalsContact C-N 3.33Å; H482-D484 PolarHBondContact O-N 3.15Å; D484-I486 VanDerWaalsContact C-N 3.33Å; D484-I486 PolarHBondContact O-N 3.02Å; D484-E487 PolarHBondContact O-N 3.26Å; D484-A488 VanDerWaalsContact O-CB 3.22Å; D484-A488 WeakPolarHBondContact O-CB 3.34Å; D484-A488 PolarHBondContact O-N 3.47Å; D484-L504 VanDerWaalsContact C-CD1 3.49Å; D484-L504 HydrophobicContact CB-CD1 3.83Å; D484-L504 HydrophobicContact CB-CD2 3.5Å; D484-L504 HydrophobicContact CB-CG 4.34Å; D484-L504 WeakPolarHBondContact O-CD1 3.13Å
485F96.3Very high92.7Very high0 Ų050.8 Ų50.80%026%0.255CS..Hα-helixtrans-64.6-35.8175.7-80.9-65.7000112.5M477 Y481 H482 S483 A489 V501 L504 V505 L508 L549 V568M477-F485 HydrophobicContact CB-CD2 4.32Å; M477-F485 HydrophobicContact CB-CE2 4.08Å; M477-F485 HydrophobicContact CE-CD1 3.6Å; M477-F485 HydrophobicContact CE-CD2 3.79Å; M477-F485 HydrophobicContact CE-CE1 3.39Å; M477-F485 HydrophobicContact CE-CE2 3.61Å; M477-F485 HydrophobicContact CE-CG 3.81Å; M477-F485 HydrophobicContact CE-CZ 3.4Å; M477-F485 VanDerWaalsContact CE-CZ 3.4Å; Y481-F485 WeakPolarHBondContact O-CD2 3.22Å; Y481-F485 PolarHBondContact O-N 3.29Å; H482-F485 PolarHBondContact O-N 3.21Å; S483-F485 VanDerWaalsContact C-N 3.34Å; S483-F485 PolarHBondContact O-N 3.33Å; F485-A489 WeakPolarHBondContact O-CB 3.48Å; F485-A489 PolarHBondContact O-N 3.45Å; F485-V501 HydrophobicContact CD1-CG1 4.42Å; F485-V501 HydrophobicContact CD1-CG2 4.47Å; F485-V501 HydrophobicContact CE1-CG1 4.25Å; F485-L504 HydrophobicContact CD1-CB 3.89Å; F485-L504 HydrophobicContact CD1-CD1 3.89Å; F485-L504 HydrophobicContact CE1-CB 3.35Å; F485-L504 HydrophobicContact CE1-CD1 4.25Å; F485-L504 HydrophobicContact CE1-CG 4.44Å; F485-L504 HydrophobicContact CE2-CB 4.23Å; F485-L504 HydrophobicContact CG-CD1 4.2Å; F485-L504 HydrophobicContact CZ-CB 3.55Å; F485-V505 HydrophobicContact CE1-CG2 4.1Å; F485-V505 HydrophobicContact CZ-CG2 4.28Å; F485-L508 HydrophobicContact CE2-CD2 4.18Å; F485-L508 HydrophobicContact CZ-CD1 4.43Å; F485-L508 HydrophobicContact CZ-CD2 4.49Å; F485-L508 HydrophobicContact CZ-CG 4.47Å; F485-L549 HydrophobicContact CB-CD2 4.13Å; F485-L549 HydrophobicContact CD2-CD2 4.16Å; F485-L549 HydrophobicContact CG-CD2 4.4Å; F485-V568 HydrophobicContact CB-CG2 4.22Å; F485-V568 HydrophobicContact CD1-CG1 4.06Å; F485-V568 WeakPolarHBondContact O-CG2 3.22Å
486I93.7Very high92.8Very high4 Ų454.7 Ų54.72%0.02127%0.273CS..Hα-helixtrans-70.6-45.3176.6-62-38.2000111.1H482 S483 D484 A488 A489 K490 D561 F564 N565H482-I486 WeakPolarHBondContact O-CG1 3.29Å; H482-I486 PolarHBondContact O-N 2.85Å; H482-I486 VanDerWaalsContact O-N 3.12Å; S483-I486 PolarHBondContact O-N 3.26Å; S483-I486 VanDerWaalsContact O-N 3.15Å; D484-I486 VanDerWaalsContact C-N 3.33Å; D484-I486 PolarHBondContact O-N 3.02Å; I486-A488 VanDerWaalsContact C-N 3.29Å; I486-A488 PolarHBondContact O-N 2.97Å; I486-A489 PolarHBondContact O-N 3.11Å; I486-A489 VanDerWaalsContact O-N 3.1Å; I486-K490 HydrophobicContact CG2-CD 4.24Å; I486-K490 VanDerWaalsContact CG2-CE 3.48Å; I486-K490 WeakPolarHBondContact O-CG 3.47Å; I486-K490 PolarHBondContact O-N 3.32Å; I486-D561 HydrophobicContact CG2-CB 4.2Å; I486-F564 HydrophobicContact CD1-CB 4.27Å; I486-F564 HydrophobicContact CG2-CB 4.06Å; I486-F564 HydrophobicContact CG2-CD2 4.42Å; I486-F564 HydrophobicContact CG2-CG 4.49Å; I486-N565 HydrophobicContact CD1-CB 4.42Å; I486-N565 WeakPolarHBondContact CD1-OD1 3.22Å
487E93.7Very high92.8Very high98 Ų9855.5 Ų55.546%0.45828%0.276SS..Hα-helixtrans-68.6-28176.1-61.4-52.4123.600112.4S483 D484 K490 Q491S483-E487 WeakPolarHBondContact O-CG 3.27Å; S483-E487 PolarHBondContact O-N 3.06Å; D484-E487 PolarHBondContact O-N 3.26Å; E487-K490 PolarHBondContact O-N 3.28Å; E487-K490 WeakPolarHBondContact OE1-CD 3.19Å; E487-K490 IonicContact OE1-NZ 3.36Å; E487-K490 PolarHBondContact OE1-NZ 2.81Å; E487-Q491 PolarHBondContact O-NE2 3.01Å
488A95.5Very high92.9Very high4 Ų455.5 Ų55.53%0.03328%0.276CS..Hα-helixtrans-67.6-36.1168.300000112.5D484 I486 K490 Q491 R497 E500 V501 L504D484-A488 VanDerWaalsContact O-CB 3.22Å; D484-A488 WeakPolarHBondContact O-CB 3.34Å; D484-A488 PolarHBondContact O-N 3.47Å; I486-A488 VanDerWaalsContact C-N 3.29Å; I486-A488 PolarHBondContact O-N 2.97Å; A488-K490 VanDerWaalsContact C-N 3.34Å; A488-Q491 WeakPolarHBondContact O-CG 3.47Å; A488-R497 WeakPolarHBondContact O-CA 3.47Å; A488-R497 WeakPolarHBondContact O-CB 3.36Å; A488-R497 WeakPolarHBondContact O-CG 3.46Å; A488-E500 HydrophobicContact CB-CB 3.79Å; A488-V501 HydrophobicContact CB-CG2 4.03Å; A488-L504 HydrophobicContact CB-CD1 3.78Å
489A94.7Very high93Very high3 Ų358.7 Ų58.73%0.02529%0.293CS..Hα-helixtrans-75.7-19.2174.500000114F485 I486 F564 I567 V568F485-A489 WeakPolarHBondContact O-CB 3.48Å; F485-A489 PolarHBondContact O-N 3.45Å; I486-A489 PolarHBondContact O-N 3.11Å; I486-A489 VanDerWaalsContact O-N 3.1Å; A489-F564 HydrophobicContact CB-CB 4.06Å; A489-F564 HydrophobicContact CB-CD1 4.5Å; A489-I567 HydrophobicContact CB-CB 4.41Å; A489-I567 HydrophobicContact CB-CG2 4.02Å; A489-V568 HydrophobicContact CB-CG2 3.68Å
490K93.3Very high93.3Very high33 Ų3357.8 Ų57.814%0.14329%0.292CS..THydrogen-bonded Turntrans-83.3-4.3174-70.5171.3-175.81690114.3T82 A83 I486 E487 A488 D561 F564T82-K490 PolarHBondContact OG1-NZ 3.21Å; A83-K490 HydrophobicContact CB-CB 4.22Å; A83-K490 HydrophobicContact CB-CD 3.83Å; A83-K490 HydrophobicContact CB-CG 3.77Å; I486-K490 HydrophobicContact CG2-CD 4.24Å; I486-K490 VanDerWaalsContact CG2-CE 3.48Å; I486-K490 WeakPolarHBondContact O-CG 3.47Å; I486-K490 PolarHBondContact O-N 3.32Å; E487-K490 PolarHBondContact O-N 3.28Å; E487-K490 WeakPolarHBondContact OE1-CD 3.19Å; E487-K490 IonicContact OE1-NZ 3.36Å; E487-K490 PolarHBondContact OE1-NZ 2.81Å; A488-K490 VanDerWaalsContact C-N 3.34Å; K490-D561 WeakPolarHBondContact CE-OD1 3.04Å; K490-D561 VanDerWaalsContact NZ-CG 3.34Å; K490-D561 IonicContact NZ-OD1 3.61Å; K490-D561 PolarHBondContact NZ-OD1 3.21Å; K490-D561 IonicContact NZ-OD2 3.27Å; K490-D561 PolarHBondContact NZ-OD2 2.81Å; K490-F564 HydrophobicContact CD-CD2 4.48Å; K490-F564 HydrophobicContact CD-CE2 4.41Å; K490-F564 HydrophobicContact CG-CD1 3.79Å; K490-F564 HydrophobicContact CG-CD2 4.11Å; K490-F564 HydrophobicContact CG-CE1 3.74Å; K490-F564 HydrophobicContact CG-CE2 4.07Å; K490-F564 HydrophobicContact CG-CG 4Å; K490-F564 HydrophobicContact CG-CZ 3.9Å
491Q93.1Very high93.6Very high73 Ų7351.2 Ų51.234%0.34126%0.261SS..  trans-63.8138.3178.6-59.5-60.8-61.200111.7E487 A488 T493 Q496 R497E487-Q491 PolarHBondContact O-NE2 3.01Å; A488-Q491 WeakPolarHBondContact O-CG 3.47Å; Q491-T493 PolarHBondContact O-N 3.41Å; Q491-Q496 HydrophobicContact CB-CB 3.83Å; Q491-Q496 HydrophobicContact CG-CB 4.32Å; Q491-R497 HydrophobicContact CB-CG 3.84Å; Q491-R497 WeakPolarHBondContact O-CD 3.34Å; Q491-R497 VanDerWaalsContact O-CG 3.28Å; Q491-R497 WeakPolarHBondContact O-CG 3.48Å; Q491-R497 PolarHBondContact O-NE 3.27Å
492E87Confident93.8Very high172 Ų17249.9 Ų49.980%0.80426%0.256SS*.SBendtrans-54.9-53.8-174-64.3176.5179.300112.9R497E492-R497 PolarHBondContact O-NH2 2.69Å
493T91.3Very high93.9Very high67 Ų6751.7 Ų51.741%0.41126%0.264SS..SBendtrans-91.3139.9-176.375.50000112.6Q491 N495 Q496 R497Q491-T493 PolarHBondContact O-N 3.41Å; T493-N495 PolarHBondContact O-N 2.9Å; T493-N495 VanDerWaalsContact O-N 3.16Å; T493-Q496 WeakPolarHBondContact O-CB 3.25Å; T493-Q496 PolarHBondContact O-N 2.77Å; T493-Q496 VanDerWaalsContact OG1-CG 3.31Å; T493-Q496 WeakPolarHBondContact OG1-CG 3.39Å; T493-Q496 PolarHBondContact OG1-N 3.44Å; T493-Q496 PolarHBondContact OG1-OE1 3.25Å; T493-R497 PolarHBondContact O-N 3.06Å; T493-R497 VanDerWaalsContact O-N 3.12Å
494L91.1Very high94.2Very high82 Ų8248.2 Ų48.243%0.42924%0.239SC..Hα-helixtrans-52.2-38.6175.5179.661.7000112.5R497 V498L494-R497 PolarHBondContact O-N 3.24Å; L494-V498 HydrophobicContact CD1-CG2 4.2Å; L494-V498 HydrophobicContact CG-CG2 4.39Å; L494-V498 VanDerWaalsContact O-CG2 3.27Å; L494-V498 WeakPolarHBondContact O-CG2 3.43Å; L494-V498 PolarHBondContact O-N 2.93Å
495N92.3Very high94.4Very high94 Ų9444.8 Ų44.850%0.50322%0.221SC..Hα-helixtrans-66.9-35.3178.5-84-58.6000113.4T493 N499T493-N495 PolarHBondContact O-N 2.9Å; T493-N495 VanDerWaalsContact O-N 3.16Å; N495-N499 VanDerWaalsContact O-CB 3.32Å; N495-N499 WeakPolarHBondContact O-CB 3.49Å; N495-N499 PolarHBondContact O-N 2.93Å; N495-N499 PolarHBondContact O-ND2 3.38Å
496Q93.8Very high94.3Very high82 Ų8248.8 Ų48.838%0.38324%0.237SC..Hα-helixtrans-66.2-46171.9-74.5158.4-42.100110.7Q491 T493 V498 N499 E500Q491-Q496 HydrophobicContact CB-CB 3.83Å; Q491-Q496 HydrophobicContact CG-CB 4.32Å; T493-Q496 WeakPolarHBondContact O-CB 3.25Å; T493-Q496 PolarHBondContact O-N 2.77Å; T493-Q496 VanDerWaalsContact OG1-CG 3.31Å; T493-Q496 WeakPolarHBondContact OG1-CG 3.39Å; T493-Q496 PolarHBondContact OG1-N 3.44Å; T493-Q496 PolarHBondContact OG1-OE1 3.25Å; Q496-V498 PolarHBondContact O-N 3.49Å; Q496-N499 PolarHBondContact O-N 3.28Å; Q496-E500 PolarHBondContact O-N 2.76Å
497R95.4Very high94.4Very high17 Ų1753.7 Ų53.76%0.06426%0.258CS..Hα-helixtrans-57.1-49.3177.3-54.3174.4-147166.75.2111.5D86 A488 Q491 E492 T493 L494 N499 E500 V501 I571D86-R497 VanDerWaalsContact CG-NH2 3.34Å; D86-R497 IonicContact OD1-CZ 2.63Å; D86-R497 IonicContact OD1-NH1 2.88Å; D86-R497 IonicContact OD1-NH2 3.71Å; D86-R497 PolarHBondContact OD1-NH2 3.31Å; D86-R497 IonicContact OD2-CZ 2.64Å; D86-R497 IonicContact OD2-NH1 2.69Å; D86-R497 PolarHBondContact OD2-NH1 3.35Å; D86-R497 IonicContact OD2-NH2 2.64Å; D86-R497 PolarHBondContact OD2-NH2 2.9Å; A488-R497 WeakPolarHBondContact O-CA 3.47Å; A488-R497 WeakPolarHBondContact O-CB 3.36Å; A488-R497 WeakPolarHBondContact O-CG 3.46Å; Q491-R497 HydrophobicContact CB-CG 3.84Å; Q491-R497 WeakPolarHBondContact O-CD 3.34Å; Q491-R497 VanDerWaalsContact O-CG 3.28Å; Q491-R497 WeakPolarHBondContact O-CG 3.48Å; Q491-R497 PolarHBondContact O-NE 3.27Å; E492-R497 PolarHBondContact O-NH2 2.69Å; T493-R497 PolarHBondContact O-N 3.06Å; T493-R497 VanDerWaalsContact O-N 3.12Å; L494-R497 PolarHBondContact O-N 3.24Å; R497-N499 PolarHBondContact O-N 3.03Å; R497-E500 PolarHBondContact O-N 3.29Å; R497-V501 VanDerWaalsContact O-CB 3.29Å; R497-V501 WeakPolarHBondContact O-CB 3.38Å; R497-V501 VanDerWaalsContact O-CG2 3.22Å; R497-V501 WeakPolarHBondContact O-CG2 3.49Å; R497-V501 PolarHBondContact O-N 2.97Å; R497-I571 HydrophobicContact CB-CD1 3.63Å
498V96Very high94.4Very high1 Ų149.7 Ų49.71%0.00624%0.239CC..Hα-helixtrans-60-44.9177.4174.50000111.1L494 Q496 H502 I571 N575 R578L494-V498 HydrophobicContact CD1-CG2 4.2Å; L494-V498 HydrophobicContact CG-CG2 4.39Å; L494-V498 VanDerWaalsContact O-CG2 3.27Å; L494-V498 WeakPolarHBondContact O-CG2 3.43Å; L494-V498 PolarHBondContact O-N 2.93Å; Q496-V498 PolarHBondContact O-N 3.49Å; V498-H502 WeakPolarHBondContact O-CB 3.41Å; V498-H502 PolarHBondContact O-N 3.47Å; V498-I571 HydrophobicContact CG2-CG2 4.05Å; V498-N575 HydrophobicContact CG1-CB 4.26Å; V498-R578 VanDerWaalsContact CG1-CZ 3.49Å
499N95.1Very high94.4Very high69 Ų6952.3 Ų52.337%0.36926%0.256SS..Hα-helixtrans-65.6-44.1-179.6-76.6-15.4000113.2N495 Q496 R497 H502 K503 R578N495-N499 VanDerWaalsContact O-CB 3.32Å; N495-N499 WeakPolarHBondContact O-CB 3.49Å; N495-N499 PolarHBondContact O-N 2.93Å; N495-N499 PolarHBondContact O-ND2 3.38Å; Q496-N499 PolarHBondContact O-N 3.28Å; R497-N499 PolarHBondContact O-N 3.03Å; N499-H502 WeakPolarHBondContact O-CB 3.16Å; N499-H502 PolarHBondContact O-N 3.04Å; N499-K503 WeakPolarHBondContact O-CG 3.36Å; N499-K503 PolarHBondContact O-N 2.71Å; N499-R578 PolarHBondContact OD1-NH2 3.03Å
500E96.2Very high94.3Very high65 Ų6557.7 Ų57.730%0.30428%0.281SS..Hα-helixtrans-75.6-37.1-179.1-62.2-50.4129.300111.8A488 Q496 R497 H502 K503 L504A488-E500 HydrophobicContact CB-CB 3.79Å; Q496-E500 PolarHBondContact O-N 2.76Å; R497-E500 PolarHBondContact O-N 3.29Å; E500-H502 VanDerWaalsContact C-N 3.32Å; E500-H502 PolarHBondContact O-N 3.3Å; E500-K503 PolarHBondContact O-N 3.45Å; E500-K503 WeakPolarHBondContact OE1-CD 3.45Å; E500-K503 WeakPolarHBondContact OE1-CE 3.46Å; E500-K503 IonicContact OE1-NZ 3.82Å; E500-K503 PolarHBondContact OE1-NZ 3.2Å; E500-K503 WeakPolarHBondContact OE2-CD 3.47Å; E500-K503 IonicContact OE2-NZ 2.79Å; E500-L504 WeakPolarHBondContact O-CB 3.47Å; E500-L504 WeakPolarHBondContact O-CD1 3.28Å; E500-L504 WeakPolarHBondContact O-CG 3.35Å; E500-L504 PolarHBondContact O-N 3.07Å
501V97Very high94.4Very high0 Ų058.6 Ų58.60%029%0.29CS..Hα-helixtrans-60-42.1168.5172.50000110.7F485 A488 R497 L504 V505 V568 I571 L572 I579F485-V501 HydrophobicContact CD1-CG1 4.42Å; F485-V501 HydrophobicContact CD1-CG2 4.47Å; F485-V501 HydrophobicContact CE1-CG1 4.25Å; A488-V501 HydrophobicContact CB-CG2 4.03Å; R497-V501 VanDerWaalsContact O-CB 3.29Å; R497-V501 WeakPolarHBondContact O-CB 3.38Å; R497-V501 VanDerWaalsContact O-CG2 3.22Å; R497-V501 WeakPolarHBondContact O-CG2 3.49Å; R497-V501 PolarHBondContact O-N 2.97Å; V501-L504 PolarHBondContact O-N 3.42Å; V501-V505 HydrophobicContact CG1-CG2 4.34Å; V501-V505 WeakPolarHBondContact O-CG2 3.46Å; V501-V505 PolarHBondContact O-N 3.3Å; V501-V568 HydrophobicContact CG1-CG1 4.33Å; V501-V568 HydrophobicContact CG2-CG1 4.47Å; V501-I571 HydrophobicContact CB-CG2 4.08Å; V501-I571 HydrophobicContact CG1-CG2 3.98Å; V501-I571 HydrophobicContact CG2-CD1 4.4Å; V501-I571 HydrophobicContact CG2-CG2 4.3Å; V501-L572 HydrophobicContact CG1-CD2 3.65Å; V501-L572 HydrophobicContact CG1-CG 4.32Å; V501-I579 HydrophobicContact CG1-CD1 4.33Å
502H97.1Very high94.5Very high12 Ų1256 Ų566%0.05628%0.278CS..Hα-helixtrans-61.5-45.5176.3-173.9-167000112.4V498 N499 E500 L504 Y506 R578 I579 N582V498-H502 WeakPolarHBondContact O-CB 3.41Å; V498-H502 PolarHBondContact O-N 3.47Å; N499-H502 WeakPolarHBondContact O-CB 3.16Å; N499-H502 PolarHBondContact O-N 3.04Å; E500-H502 VanDerWaalsContact C-N 3.32Å; E500-H502 PolarHBondContact O-N 3.3Å; H502-L504 VanDerWaalsContact C-N 3.31Å; H502-L504 PolarHBondContact O-N 2.9Å; H502-Y506 AromaticContact CD2-CD2 3.8Å; H502-Y506 AromaticContact CD2-CE2 3.82Å; H502-Y506 AromaticContact NE2-CD2 3.99Å; H502-Y506 AromaticContact NE2-CE2 3.6Å; H502-Y506 PolarHBondContact O-N 3.33Å; H502-R578 PolarHBondContact CE1-O 3.42Å; H502-R578 VanDerWaalsContact CE1-O 3.23Å; H502-R578 PolarHBondContact NE2-O 3.37Å; H502-I579 HydrophobicContact CB-CG1 4.18Å; H502-I579 PolarHBondContact CD2-O 2.88Å; H502-I579 PolarHBondContact NE2-O 3.44Å; H502-N582 PolarHBondContact CE1-O 2.81Å; H502-N582 PolarHBondContact NE2-O 3.09Å
503K95.5Very high95Very high57 Ų5749 Ų4925%0.24825%0.245CC..Hα-helixtrans-60.2-38.2173-75.5166.8172.3-177.60112.5N499 E500 K507 P584 D587N499-K503 WeakPolarHBondContact O-CG 3.36Å; N499-K503 PolarHBondContact O-N 2.71Å; E500-K503 PolarHBondContact O-N 3.45Å; E500-K503 WeakPolarHBondContact OE1-CD 3.45Å; E500-K503 WeakPolarHBondContact OE1-CE 3.46Å; E500-K503 IonicContact OE1-NZ 3.82Å; E500-K503 PolarHBondContact OE1-NZ 3.2Å; E500-K503 WeakPolarHBondContact OE2-CD 3.47Å; E500-K503 IonicContact OE2-NZ 2.79Å; K503-K507 WeakPolarHBondContact O-CG 3.36Å; K503-P584 HydrophobicContact CG-CB 4.19Å; K503-D587 IonicContact NZ-OD1 3.87Å; K503-D587 PolarHBondContact NZ-OD1 3.19Å
504L96.2Very high95.2Very high8 Ų850.1 Ų50.14%0.04225%0.246CC..Hα-helixtrans-75.5-38.6-178.9-71.7166000113Y481 D484 F485 A488 E500 V501 H502 Y506 K507 L508Y481-L504 HydrophobicContact CD1-CD2 4.4Å; D484-L504 VanDerWaalsContact C-CD1 3.49Å; D484-L504 HydrophobicContact CB-CD1 3.83Å; D484-L504 HydrophobicContact CB-CD2 3.5Å; D484-L504 HydrophobicContact CB-CG 4.34Å; D484-L504 WeakPolarHBondContact O-CD1 3.13Å; F485-L504 HydrophobicContact CD1-CB 3.89Å; F485-L504 HydrophobicContact CD1-CD1 3.89Å; F485-L504 HydrophobicContact CE1-CB 3.35Å; F485-L504 HydrophobicContact CE1-CD1 4.25Å; F485-L504 HydrophobicContact CE1-CG 4.44Å; F485-L504 HydrophobicContact CE2-CB 4.23Å; F485-L504 HydrophobicContact CG-CD1 4.2Å; F485-L504 HydrophobicContact CZ-CB 3.55Å; A488-L504 HydrophobicContact CB-CD1 3.78Å; E500-L504 WeakPolarHBondContact O-CB 3.47Å; E500-L504 WeakPolarHBondContact O-CD1 3.28Å; E500-L504 WeakPolarHBondContact O-CG 3.35Å; E500-L504 PolarHBondContact O-N 3.07Å; V501-L504 PolarHBondContact O-N 3.42Å; H502-L504 VanDerWaalsContact C-N 3.31Å; H502-L504 PolarHBondContact O-N 2.9Å; L504-Y506 VanDerWaalsContact C-N 3.26Å; L504-Y506 PolarHBondContact O-N 3.06Å; L504-K507 HydrophobicContact CD2-CD 4.21Å; L504-K507 WeakPolarHBondContact O-CB 3.39Å; L504-K507 PolarHBondContact O-N 3.04Å; L504-L508 PolarHBondContact O-N 2.98Å
505V97Very high95.5Very high0 Ų046.2 Ų46.20%023%0.225CC..Hα-helixtrans-56.6-42.4174.2168.60000110.9F485 V501 K507 L508 F513 L516 L572 I579 F580F485-V505 HydrophobicContact CE1-CG2 4.1Å; F485-V505 HydrophobicContact CZ-CG2 4.28Å; V501-V505 HydrophobicContact CG1-CG2 4.34Å; V501-V505 WeakPolarHBondContact O-CG2 3.46Å; V501-V505 PolarHBondContact O-N 3.3Å; V505-K507 PolarHBondContact O-N 3.03Å; V505-L508 WeakPolarHBondContact O-CB 3.28Å; V505-L508 WeakPolarHBondContact O-CG 3.35Å; V505-L508 PolarHBondContact O-N 3.35Å; V505-F513 HydrophobicContact CG1-CD2 3.77Å; V505-F513 HydrophobicContact CG1-CE2 3.74Å; V505-L516 HydrophobicContact CG2-CD2 4.36Å; V505-L572 HydrophobicContact CG2-CD2 3.6Å; V505-I579 HydrophobicContact CB-CG2 4.15Å; V505-I579 HydrophobicContact CG1-CG2 4.15Å; V505-I579 HydrophobicContact CG2-CG2 3.98Å; V505-F580 HydrophobicContact CG1-CD1 4.22Å; V505-F580 HydrophobicContact CG1-CE1 3.71Å; V505-F580 HydrophobicContact CG1-CZ 4.07Å
506Y95.3Very high95.8Very high84 Ų8441.8 Ų41.833%0.32920%0.202SC..THydrogen-bonded Turntrans-74.2-1.7176.3-86.5-85.1000115.5H502 L504 F513 I579 F580 N582 K583 P584H502-Y506 AromaticContact CD2-CD2 3.8Å; H502-Y506 AromaticContact CD2-CE2 3.82Å; H502-Y506 AromaticContact NE2-CD2 3.99Å; H502-Y506 AromaticContact NE2-CE2 3.6Å; H502-Y506 PolarHBondContact O-N 3.33Å; L504-Y506 VanDerWaalsContact C-N 3.26Å; L504-Y506 PolarHBondContact O-N 3.06Å; Y506-F513 HydrophobicContact CD1-CE2 4.25Å; Y506-F513 HydrophobicContact CD2-CE2 4.39Å; Y506-F513 HydrophobicContact CE1-CE2 4.07Å; Y506-F513 HydrophobicContact CE1-CZ 4.25Å; Y506-F513 HydrophobicContact CE2-CE2 4.25Å; Y506-F513 HydrophobicContact CG-CE2 4.41Å; Y506-I579 VanDerWaalsContact CE2-O 3.26Å; Y506-I579 WeakPolarHBondContact CE2-O 3.39Å; Y506-F580 PolarHBondContact OH-O 3.48Å; Y506-N582 VanDerWaalsContact CE2-O 3.29Å; Y506-N582 WeakPolarHBondContact CE2-O 3.22Å; Y506-N582 PolarHBondContact OH-O 2.86Å; Y506-K583 HydrophobicContact CE1-CG 4.33Å; Y506-P584 HydrophobicContact CD2-CG 3.48Å; Y506-P584 VanDerWaalsContact CD2-CG 3.48Å; Y506-P584 HydrophobicContact CE2-CG 4.17Å; Y506-P584 HydrophobicContact CG-CG 3.86Å
507K94.7Very high95.9Very high107 Ų10739.7 Ų39.747%0.46519%0.193SC..THydrogen-bonded Turntrans-97.3-9169.8-68.1172.6-173.7170.40113.3Y481 K503 L504 V505Y481-K507 HydrophobicContact CE1-CB 4.11Å; Y481-K507 HydrophobicContact CE1-CD 4.27Å; Y481-K507 HydrophobicContact CE2-CB 4.18Å; Y481-K507 WeakPolarHBondContact CE2-O 3.45Å; Y481-K507 PolarHBondContact OH-O 3.47Å; Y481-K507 VanDerWaalsContact OH-O 3.07Å; K503-K507 WeakPolarHBondContact O-CG 3.36Å; L504-K507 HydrophobicContact CD2-CD 4.21Å; L504-K507 WeakPolarHBondContact O-CB 3.39Å; L504-K507 PolarHBondContact O-N 3.04Å; V505-K507 PolarHBondContact O-N 3.03Å
508L95Very high96Very high13 Ų1340.6 Ų40.67%0.06820%0.199CC..SBendtrans-63149176.5-68.9171.1000110.9M477 T478 Y481 F485 L504 V505 N512 F513 L516M477-L508 WeakPolarHBondContact O-CD2 3.4Å; T478-L508 HydrophobicContact CG2-CD2 4.04Å; Y481-L508 HydrophobicContact CD2-CD2 4.08Å; F485-L508 HydrophobicContact CE2-CD2 4.18Å; F485-L508 HydrophobicContact CZ-CD1 4.43Å; F485-L508 HydrophobicContact CZ-CD2 4.49Å; F485-L508 HydrophobicContact CZ-CG 4.47Å; L504-L508 PolarHBondContact O-N 2.98Å; V505-L508 WeakPolarHBondContact O-CB 3.28Å; V505-L508 WeakPolarHBondContact O-CG 3.35Å; V505-L508 PolarHBondContact O-N 3.35Å; L508-N512 HydrophobicContact CB-CB 4.22Å; L508-F513 HydrophobicContact CB-CB 4.49Å; L508-L516 HydrophobicContact CD1-CD2 3.66Å
509P94.6Very high96.1Very high60 Ų6040.7 Ų40.739%0.3920%0.199SC..  trans-56.9147.9169.6-2131.4000111.4T478 P511 N512 F513T478-P509 HydrophobicContact CG2-CG 4.4Å; P509-P511 VanDerWaalsContact C-CD 3.5Å; P509-N512 HydrophobicContact CB-CB 4.49Å; P509-N512 WeakPolarHBondContact O-CA 3.3Å; P509-N512 WeakPolarHBondContact O-CB 3.49Å; P509-N512 PolarHBondContact O-N 3.15Å; P509-F513 PolarHBondContact O-N 2.74Å
510Q93.8Very high96.3Very high116 Ų11637.4 Ų37.454%0.54218%0.181SC..Hα-helixtrans-53.2-42.2-173.3-17564.12400114.5F513 Q514Q510-F513 PolarHBondContact O-N 3.46Å; Q510-Q514 VanDerWaalsContact NE2-CD 3.35Å; Q510-Q514 VanDerWaalsContact NE2-NE2 3.14Å; Q510-Q514 WeakPolarHBondContact O-CG 3.44Å; Q510-Q514 PolarHBondContact O-N 2.85Å; Q510-Q514 PolarHBondContact O-OE1 3.49Å
511P94.8Very high96.3Very high51 Ų5136 Ų3633%0.33118%0.178SC..Hα-helixtrans-64.8-41175.4-21.334.5000112.4L395 F400 P509 Q514 M515L395-P511 HydrophobicContact CB-CB 4.19Å; L395-P511 HydrophobicContact CD1-CB 4.35Å; F400-P511 HydrophobicContact CE2-CB 4.18Å; F400-P511 HydrophobicContact CZ-CB 4.29Å; F400-P511 WeakPolarHBondContact CZ-O 3.46Å; P509-P511 VanDerWaalsContact C-CD 3.5Å; P511-Q514 PolarHBondContact O-N 2.84Å; P511-M515 WeakPolarHBondContact O-CB 3.5Å; P511-M515 PolarHBondContact O-N 3.19Å
512N95.9Very high96.4Very high18 Ų1836.1 Ų36.110%0.09618%0.179CC..Hα-helixtrans-61.8-44.9176.9-62.867.9000111.2L395 L476 L508 P509 L516L395-N512 HydrophobicContact CD1-CB 4.32Å; L476-N512 HydrophobicContact CD1-CB 4.33Å; L476-N512 WeakPolarHBondContact O-CB 3.46Å; L476-N512 PolarHBondContact O-ND2 3.08Å; L508-N512 HydrophobicContact CB-CB 4.22Å; P509-N512 HydrophobicContact CB-CB 4.49Å; P509-N512 WeakPolarHBondContact O-CA 3.3Å; P509-N512 WeakPolarHBondContact O-CB 3.49Å; P509-N512 PolarHBondContact O-N 3.15Å; N512-L516 WeakPolarHBondContact O-CB 3.49Å; N512-L516 PolarHBondContact O-N 2.84Å
513F96.7Very high96.4Very high27 Ų2735.5 Ų35.512%0.11818%0.176CC..Hα-helixtrans-59.4-48.9174.6178.8-81.9000111.5V505 Y506 L508 P509 Q510 M515 L516 D517 F580V505-F513 HydrophobicContact CG1-CD2 3.77Å; V505-F513 HydrophobicContact CG1-CE2 3.74Å; Y506-F513 HydrophobicContact CD1-CE2 4.25Å; Y506-F513 HydrophobicContact CD2-CE2 4.39Å; Y506-F513 HydrophobicContact CE1-CE2 4.07Å; Y506-F513 HydrophobicContact CE1-CZ 4.25Å; Y506-F513 HydrophobicContact CE2-CE2 4.25Å; Y506-F513 HydrophobicContact CG-CE2 4.41Å; L508-F513 HydrophobicContact CB-CB 4.49Å; P509-F513 PolarHBondContact O-N 2.74Å; Q510-F513 PolarHBondContact O-N 3.46Å; F513-M515 PolarHBondContact O-N 2.83Å; F513-L516 PolarHBondContact O-N 3.46Å; F513-D517 WeakPolarHBondContact O-CB 3.46Å; F513-D517 PolarHBondContact O-N 2.81Å; F513-F580 HydrophobicContact CE2-CD1 4.22Å; F513-F580 HydrophobicContact CZ-CD1 4.11Å
514Q96.3Very high96.5Very high90 Ų9033.3 Ų33.342%0.42117%0.167SC..Hα-helixtrans-66.1-39.5-176.5-74.2171.6-38.300113.1F400 Q510 P511 M518F400-Q514 HydrophobicContact CE1-CB 3.92Å; F400-Q514 HydrophobicContact CZ-CB 4.06Å; Q510-Q514 VanDerWaalsContact NE2-CD 3.35Å; Q510-Q514 VanDerWaalsContact NE2-NE2 3.14Å; Q510-Q514 WeakPolarHBondContact O-CG 3.44Å; Q510-Q514 PolarHBondContact O-N 2.85Å; Q510-Q514 PolarHBondContact O-OE1 3.49Å; P511-Q514 PolarHBondContact O-N 2.84Å; Q514-M518 PolarHBondContact O-N 2.83Å
515M97.3Very high96.6Very high0 Ų035.1 Ų35.10%018%0.177CC..Hα-helixtrans-71.9-34.5175.2-178.391.5-59.300111.3L395 F400 I403 Y468 L469 L476 P511 F513 M518 V519L395-M515 HydrophobicContact CD2-CB 4.25Å; L395-M515 HydrophobicContact CD2-CG 4.03Å; L395-M515 HydrophobicContact CD2-SD 4.42Å; F400-M515 HydrophobicContact CD1-CE 3.72Å; F400-M515 HydrophobicContact CD1-SD 4.41Å; F400-M515 HydrophobicContact CE1-CB 3.87Å; F400-M515 HydrophobicContact CE1-CE 3.96Å; F400-M515 HydrophobicContact CG-CE 4.43Å; F400-M515 HydrophobicContact CZ-CB 3.9Å; I403-M515 HydrophobicContact CB-CE 3.82Å; I403-M515 HydrophobicContact CB-SD 4Å; I403-M515 HydrophobicContact CG1-CE 4.43Å; I403-M515 HydrophobicContact CG1-SD 3.94Å; I403-M515 HydrophobicContact CG2-CE 3.5Å; I403-M515 HydrophobicContact CG2-SD 3.97Å; Y468-M515 HydrophobicContact CE1-SD 4.45Å; L469-M515 HydrophobicContact CD2-CG 4.25Å; L469-M515 HydrophobicContact CD2-SD 4.48Å; L476-M515 HydrophobicContact CD1-CB 3.86Å; L476-M515 HydrophobicContact CD1-CG 3.9Å; L476-M515 HydrophobicContact CD2-CG 4.08Å; P511-M515 WeakPolarHBondContact O-CB 3.5Å; P511-M515 PolarHBondContact O-N 3.19Å; F513-M515 PolarHBondContact O-N 2.83Å; M515-M518 HydrophobicContact CE-CB 4.26Å; M515-M518 HydrophobicContact CE-CE 3.82Å; M515-M518 HydrophobicContact CE-SD 3.65Å; M515-V519 WeakPolarHBondContact O-CG2 3.36Å; M515-V519 PolarHBondContact O-N 3.03Å
516L97.3Very high96.6Very high0 Ų035.1 Ų35.10%018%0.177CC..Hα-helixtrans-68.2-43.2175.4-171.168.3000112L476 M477 V505 L508 N512 F513 M518 V519 I520 L548 L572 F580L476-L516 HydrophobicContact CD2-CB 4.06Å; L476-L516 HydrophobicContact CD2-CD1 3.87Å; L476-L516 HydrophobicContact CG-CB 4.34Å; L476-L516 HydrophobicContact CG-CD1 4.35Å; M477-L516 HydrophobicContact CE-CD2 4.49Å; M477-L516 HydrophobicContact CG-CD1 4.16Å; M477-L516 HydrophobicContact CG-CD2 4.21Å; M477-L516 HydrophobicContact SD-CD1 4.32Å; M477-L516 HydrophobicContact SD-CD2 4.49Å; V505-L516 HydrophobicContact CG2-CD2 4.36Å; L508-L516 HydrophobicContact CD1-CD2 3.66Å; N512-L516 WeakPolarHBondContact O-CB 3.49Å; N512-L516 PolarHBondContact O-N 2.84Å; F513-L516 PolarHBondContact O-N 3.46Å; L516-M518 VanDerWaalsContact C-N 3.33Å; L516-M518 PolarHBondContact O-N 3.15Å; L516-V519 PolarHBondContact O-N 2.84Å; L516-I520 HydrophobicContact CD1-CD1 4.28Å; L516-I520 HydrophobicContact CD1-CG1 3.89Å; L516-I520 HydrophobicContact CG-CG1 4.05Å; L516-I520 WeakPolarHBondContact O-CB 3.33Å; L516-I520 VanDerWaalsContact O-CG1 3.29Å; L516-I520 WeakPolarHBondContact O-CG1 3.44Å; L516-I520 PolarHBondContact O-N 3.3Å; L516-L548 HydrophobicContact CD1-CD1 4.19Å; L516-L572 HydrophobicContact CD1-CD1 4.32Å; L516-L572 HydrophobicContact CD2-CD1 4.27Å; L516-F580 HydrophobicContact CB-CE1 4.34Å; L516-F580 HydrophobicContact CD2-CE1 4.12Å; L516-F580 HydrophobicContact CD2-CZ 3.93Å; L516-F580 HydrophobicContact CG-CE1 4.04Å; L516-F580 HydrophobicContact CG-CZ 3.87Å
517D97.7Very high96.7Very high38 Ų3831.8 Ų31.820%0.20317%0.166CC..Hα-helixtrans-55.3-48.1174.3-173.839.2000111.1F513 C521 Y576 F580 K581F513-D517 WeakPolarHBondContact O-CB 3.46Å; F513-D517 PolarHBondContact O-N 2.81Å; D517-C521 VanDerWaalsContact O-CB 3.25Å; D517-C521 WeakPolarHBondContact O-CB 3.17Å; D517-C521 PolarHBondContact O-N 3.13Å; D517-Y576 WeakPolarHBondContact OD1-CE2 3.36Å; D517-F580 HydrophobicContact CB-CD1 3.69Å; D517-F580 HydrophobicContact CB-CE1 4.16Å; D517-F580 HydrophobicContact CB-CG 4.46Å; D517-F580 WeakPolarHBondContact OD1-CB 3.21Å; D517-F580 WeakPolarHBondContact OD1-CG 3.39Å; D517-K581 IonicContact OD1-NZ 3.71Å; D517-K581 PolarHBondContact OD1-NZ 3.16Å; D517-K581 IonicContact OD2-NZ 2.76Å; D517-K581 PolarHBondContact OD2-NZ 3.26Å
518M97.4Very high96.8Very high37 Ų3733.5 Ų33.518%0.18217%0.169CC..Hα-helixtrans-61.9-45.1178.4-166.3-170.2-57.800112.7F400 I403 R404 I407 Q514 M515 L516 H522F400-M518 HydrophobicContact CD1-CE 4.06Å; I403-M518 HydrophobicContact CG2-SD 4.19Å; R404-M518 HydrophobicContact CB-CE 4.45Å; R404-M518 HydrophobicContact CB-SD 4.03Å; R404-M518 HydrophobicContact CG-SD 4.46Å; I407-M518 HydrophobicContact CD1-CG 3.86Å; I407-M518 HydrophobicContact CD1-SD 4.17Å; Q514-M518 PolarHBondContact O-N 2.83Å; M515-M518 HydrophobicContact CE-CB 4.26Å; M515-M518 HydrophobicContact CE-CE 3.82Å; M515-M518 HydrophobicContact CE-SD 3.65Å; L516-M518 VanDerWaalsContact C-N 3.33Å; L516-M518 PolarHBondContact O-N 3.15Å; M518-H522 PolarHBondContact O-N 3.03Å
519V97.6Very high96.8Very high2 Ų236.5 Ų36.51%0.01218%0.182CC..Hα-helixtrans-70-45.3-179.6171.20000111.4I403 L469 M515 L516 H522 L523 F544 L548I403-V519 HydrophobicContact CG2-CG2 4.28Å; L469-V519 HydrophobicContact CD1-CG1 4.33Å; L469-V519 HydrophobicContact CD1-CG2 3.94Å; M515-V519 WeakPolarHBondContact O-CG2 3.36Å; M515-V519 PolarHBondContact O-N 3.03Å; L516-V519 PolarHBondContact O-N 2.84Å; V519-H522 PolarHBondContact O-N 3.18Å; V519-L523 HydrophobicContact CG1-CD1 4.11Å; V519-L523 HydrophobicContact CG1-CG 4.38Å; V519-L523 WeakPolarHBondContact O-CG 3.44Å; V519-L523 PolarHBondContact O-N 2.81Å; V519-F544 HydrophobicContact CG1-CE1 4.4Å; V519-L548 HydrophobicContact CG1-CD1 4.45Å
520I98.1Very high96.7Very high0 Ų039.5 Ų39.50%019%0.187CC..Hα-helixtrans-68.9-35.1-179.1-61.8-61.8000111.5L516 H522 L523 T524 L572 I573 Y576 F580L516-I520 HydrophobicContact CD1-CD1 4.28Å; L516-I520 HydrophobicContact CD1-CG1 3.89Å; L516-I520 HydrophobicContact CG-CG1 4.05Å; L516-I520 WeakPolarHBondContact O-CB 3.33Å; L516-I520 VanDerWaalsContact O-CG1 3.29Å; L516-I520 WeakPolarHBondContact O-CG1 3.44Å; L516-I520 PolarHBondContact O-N 3.3Å; I520-H522 PolarHBondContact O-N 3.48Å; I520-L523 HydrophobicContact CD1-CD1 4.47Å; I520-L523 PolarHBondContact O-N 2.79Å; I520-T524 WeakPolarHBondContact O-CB 3.34Å; I520-T524 PolarHBondContact O-N 2.83Å; I520-T524 PolarHBondContact O-OG1 3.01Å; I520-L572 HydrophobicContact CD1-CB 3.84Å; I520-L572 HydrophobicContact CD1-CD1 3.94Å; I520-L572 HydrophobicContact CG1-CB 4.11Å; I520-L572 HydrophobicContact CG1-CD1 4.19Å; I520-L572 HydrophobicContact CG2-CB 4.03Å; I520-L572 VanDerWaalsContact CG2-O 3.26Å; I520-L572 WeakPolarHBondContact CG2-O 3.5Å; I520-I573 HydrophobicContact CD1-CG1 4.42Å; I520-I573 HydrophobicContact CG2-CG1 4.26Å; I520-Y576 HydrophobicContact CB-CD2 4.38Å; I520-Y576 HydrophobicContact CG2-CD2 3.84Å; I520-Y576 HydrophobicContact CG2-CG 4.42Å; I520-F580 HydrophobicContact CB-CE2 4.08Å; I520-F580 HydrophobicContact CB-CZ 4.25Å; I520-F580 HydrophobicContact CG1-CE2 4.24Å; I520-F580 HydrophobicContact CG1-CZ 4.05Å; I520-F580 HydrophobicContact CG2-CE2 3.88Å
521C98Very high96.8Very high35 Ų3540.7 Ų40.724%0.23619%0.192CC..Hα-helixtrans-53.3-55.3169.7-171.50000110.7D517 L523 T524 D525 Y576D517-C521 VanDerWaalsContact O-CB 3.25Å; D517-C521 WeakPolarHBondContact O-CB 3.17Å; D517-C521 PolarHBondContact O-N 3.13Å; C521-L523 PolarHBondContact O-N 2.77Å; C521-T524 WeakPolarHBondContact O-CA 3.29Å; C521-T524 VanDerWaalsContact O-CB 3.27Å; C521-T524 WeakPolarHBondContact O-CB 3.44Å; C521-T524 PolarHBondContact O-N 3.12Å; C521-D525 PolarHBondContact O-N 3.36Å; C521-D525 VanDerWaalsContact O-N 3.11Å; C521-Y576 HydrophobicContact CB-CE1 4.27Å; C521-Y576 HydrophobicContact CB-CE2 3.74Å; C521-Y576 VanDerWaalsContact CB-CZ 3.49Å; C521-Y576 WeakPolarHBondContact CB-OH 3.5Å; C521-Y576 PolarHBondContact SG-OH 2.85Å
522H98Very high96.8Very high3 Ų343.7 Ų43.71%0.01420%0.2CC..Hα-helixtrans-59.3-43-179.7179.368.3000112.7I407 E411 Y421 M518 V519 I520 T524 D525 V526I407-H522 HydrophobicContact CD1-CB 3.96Å; I407-H522 HydrophobicContact CG1-CB 4.02Å; I407-H522 HydrophobicContact CG2-CB 4.1Å; E411-H522 WeakPolarHBondContact CG-ND1 3.41Å; E411-H522 IonicContact OE1-CE1 2.88Å; E411-H522 IonicContact OE1-CG 3.03Å; E411-H522 IonicContact OE1-ND1 3.05Å; E411-H522 PolarHBondContact OE1-ND1 3.14Å; Y421-H522 AromaticContact CE2-CD2 3.86Å; Y421-H522 AromaticContact CE2-NE2 3.5Å; Y421-H522 WeakPolarHBondContact CE2-NE2 3.46Å; Y421-H522 AromaticContact CZ-CD2 3.85Å; Y421-H522 AromaticContact CZ-NE2 3.58Å; Y421-H522 PolarHBondContact OH-CD2 2.94Å; Y421-H522 PolarHBondContact OH-NE2 3.29Å; M518-H522 PolarHBondContact O-N 3.03Å; V519-H522 PolarHBondContact O-N 3.18Å; I520-H522 PolarHBondContact O-N 3.48Å; H522-T524 VanDerWaalsContact C-N 3.26Å; H522-T524 PolarHBondContact O-N 3.44Å; H522-D525 PolarHBondContact O-N 2.91Å; H522-V526 WeakPolarHBondContact O-CG2 3.46Å; H522-V526 PolarHBondContact O-N 2.85Å
523L98.1Very high96.8Very high0 Ų042.8 Ų42.80%020%0.195CC..Hα-helixtrans-65.8-29.5177.1-64.1-177.5000112.8Y421 V519 I520 C521 V526 S527 L540 F544 I573Y421-L523 HydrophobicContact CD2-CD2 4.14Å; Y421-L523 HydrophobicContact CE2-CD2 3.98Å; V519-L523 HydrophobicContact CG1-CD1 4.11Å; V519-L523 HydrophobicContact CG1-CG 4.38Å; V519-L523 WeakPolarHBondContact O-CG 3.44Å; V519-L523 PolarHBondContact O-N 2.81Å; I520-L523 HydrophobicContact CD1-CD1 4.47Å; I520-L523 PolarHBondContact O-N 2.79Å; C521-L523 PolarHBondContact O-N 2.77Å; L523-V526 PolarHBondContact O-N 2.83Å; L523-S527 PolarHBondContact O-N 2.92Å; L523-S527 PolarHBondContact O-OG 3.16Å; L523-L540 HydrophobicContact CB-CD1 4.28Å; L523-L540 HydrophobicContact CD2-CD2 4.28Å; L523-L540 VanDerWaalsContact O-CD1 3.29Å; L523-L540 WeakPolarHBondContact O-CD1 3.44Å; L523-F544 HydrophobicContact CD1-CB 4.2Å; L523-F544 HydrophobicContact CD1-CD1 3.95Å; L523-F544 HydrophobicContact CD1-CD2 3.66Å; L523-F544 HydrophobicContact CD1-CE1 4.22Å; L523-F544 HydrophobicContact CD1-CE2 3.95Å; L523-F544 HydrophobicContact CD1-CG 3.66Å; L523-F544 HydrophobicContact CD1-CZ 4.22Å; L523-F544 HydrophobicContact CD2-CD2 3.95Å; L523-F544 HydrophobicContact CD2-CE1 4.46Å; L523-F544 HydrophobicContact CD2-CE2 3.43Å; L523-F544 VanDerWaalsContact CD2-CE2 3.43Å; L523-F544 HydrophobicContact CD2-CZ 3.73Å; L523-F544 HydrophobicContact CG-CD2 4.49Å; L523-F544 HydrophobicContact CG-CE2 4.34Å; L523-I573 HydrophobicContact CB-CD1 3.82Å; L523-I573 HydrophobicContact CB-CG1 4.07Å; L523-I573 HydrophobicContact CD1-CD1 4.26Å
524T97.8Very high96.7Very high10 Ų1046.4 Ų46.46%0.06121%0.211CC..Hα-helixtrans-66.2-42.1171.9-51.20000111.1I520 C521 H522 S527 R528I520-T524 WeakPolarHBondContact O-CB 3.34Å; I520-T524 PolarHBondContact O-N 2.83Å; I520-T524 PolarHBondContact O-OG1 3.01Å; C521-T524 WeakPolarHBondContact O-CA 3.29Å; C521-T524 VanDerWaalsContact O-CB 3.27Å; C521-T524 WeakPolarHBondContact O-CB 3.44Å; C521-T524 PolarHBondContact O-N 3.12Å; H522-T524 VanDerWaalsContact C-N 3.26Å; H522-T524 PolarHBondContact O-N 3.44Å; T524-S527 PolarHBondContact O-N 3.27Å; T524-S527 PolarHBondContact O-OG 2.94Å; T524-R528 VanDerWaalsContact O-CG 3.25Å; T524-R528 WeakPolarHBondContact O-CG 3.47Å; T524-R528 PolarHBondContact O-N 2.98Å
525D97.3Very high96.6Very high46 Ų4642.1 Ų42.125%0.24619%0.191CC..Hα-helixtrans-72.1-29.4176-76.1-54.8000113.9C521 H522 R528C521-D525 PolarHBondContact O-N 3.36Å; C521-D525 VanDerWaalsContact O-N 3.11Å; H522-D525 PolarHBondContact O-N 2.91Å; D525-R528 VanDerWaalsContact OD1-CD 3.29Å; D525-R528 WeakPolarHBondContact OD1-CD 3.47Å; D525-R528 IonicContact OD1-CZ 3.83Å; D525-R528 IonicContact OD1-NE 2.87Å; D525-R528 IonicContact OD1-NH1 3.3Å; D525-R528 PolarHBondContact OD1-NH1 2.74Å; D525-R528 IonicContact OD2-NH1 3.03Å
526V97.5Very high96.4Very high0 Ų044 Ų440%020%0.203CC..Hα-helixtrans-65-46.8166.8174.90000110.9L415 I420 Y421 H522 L523 R528 K529 N533 M535 L540L415-V526 HydrophobicContact CD2-CG2 3.63Å; I420-V526 HydrophobicContact CG2-CG1 3.71Å; Y421-V526 HydrophobicContact CE2-CG2 4.14Å; H522-V526 WeakPolarHBondContact O-CG2 3.46Å; H522-V526 PolarHBondContact O-N 2.85Å; L523-V526 PolarHBondContact O-N 2.83Å; V526-R528 VanDerWaalsContact C-N 3.3Å; V526-R528 PolarHBondContact O-N 2.94Å; V526-K529 PolarHBondContact O-N 3.31Å; V526-K529 VanDerWaalsContact O-N 3.08Å; V526-N533 PolarHBondContact O-ND2 3.25Å; V526-M535 HydrophobicContact CG1-CB 4.23Å; V526-L540 HydrophobicContact CB-CD1 4.16Å; V526-L540 HydrophobicContact CG1-CD1 3.96Å; V526-L540 HydrophobicContact CG1-CD2 3.99Å
527S96.7Very high96.4Very high14 Ų1445.2 Ų45.210%0.09821%0.211CC..Hα-helixtrans-66.8-30.9-179.565.70000112.9L523 T524 K529 Y530L523-S527 PolarHBondContact O-N 2.92Å; L523-S527 PolarHBondContact O-OG 3.16Å; T524-S527 PolarHBondContact O-N 3.27Å; T524-S527 PolarHBondContact O-OG 2.94Å; S527-K529 PolarHBondContact O-N 3.31Å; S527-K529 VanDerWaalsContact O-N 3.13Å; S527-Y530 WeakPolarHBondContact O-CB 3.17Å; S527-Y530 PolarHBondContact O-N 2.89Å; S527-Y530 VanDerWaalsContact O-N 3.15Å
528R96.5Very high96.1Very high143 Ų14345.2 Ų45.254%0.5421%0.209SC..THydrogen-bonded Turntrans-59.4-18.5172.4-75.6166.2-177.1163.41.5113.2T524 D525 V526 E577T524-R528 VanDerWaalsContact O-CG 3.25Å; T524-R528 WeakPolarHBondContact O-CG 3.47Å; T524-R528 PolarHBondContact O-N 2.98Å; D525-R528 VanDerWaalsContact OD1-CD 3.29Å; D525-R528 WeakPolarHBondContact OD1-CD 3.47Å; D525-R528 IonicContact OD1-CZ 3.83Å; D525-R528 IonicContact OD1-NE 2.87Å; D525-R528 IonicContact OD1-NH1 3.3Å; D525-R528 PolarHBondContact OD1-NH1 2.74Å; D525-R528 IonicContact OD2-NH1 3.03Å; V526-R528 VanDerWaalsContact C-N 3.3Å; V526-R528 PolarHBondContact O-N 2.94Å; R528-E577 IonicContact NH2-OE1 2.81Å
529K94.9Very high95.8Very high76 Ų7645.4 Ų45.433%0.3321%0.211SC..THydrogen-bonded Turntrans-108.219.3176.4-61.9-151.9-174.4-1730115L415 E416 V526 S527 E531 K532 N533L415-K529 HydrophobicContact CB-CD 3.79Å; L415-K529 HydrophobicContact CB-CG 4.46Å; L415-K529 WeakPolarHBondContact O-CB 3.35Å; E416-K529 HydrophobicContact CG-CD 3.6Å; E416-K529 IonicContact OE1-NZ 3.63Å; E416-K529 PolarHBondContact OE1-NZ 2.82Å; V526-K529 PolarHBondContact O-N 3.31Å; V526-K529 VanDerWaalsContact O-N 3.08Å; S527-K529 PolarHBondContact O-N 3.31Å; S527-K529 VanDerWaalsContact O-N 3.13Å; K529-E531 PolarHBondContact O-N 2.78Å; K529-K532 PolarHBondContact O-N 3.37Å; K529-N533 PolarHBondContact O-N 3.17Å
530Y94Very high95.8Very high124 Ų12445.3 Ų45.349%0.48621%0.21SC..Hα-helixtrans-55.2-30.3-173.685.5-86.6000114.9S527 K532 N533 K534 M535S527-Y530 WeakPolarHBondContact O-CB 3.17Å; S527-Y530 PolarHBondContact O-N 2.89Å; S527-Y530 VanDerWaalsContact O-N 3.15Å; Y530-K532 PolarHBondContact O-N 3.24Å; Y530-N533 WeakPolarHBondContact CA-OD1 3.23Å; Y530-K534 WeakPolarHBondContact O-CA 3.26Å; Y530-K534 PolarHBondContact O-N 3.23Å; Y530-M535 WeakPolarHBondContact CB-O 3.41Å
531E94.6Very high95.6Very high141 Ų14145.3 Ų45.366%0.65921%0.21SC*.Hα-helixtrans-60.2-35.3178.7-64.6-174.3169.500112.6K529 K534K529-E531 PolarHBondContact O-N 2.78Å; E531-K534 PolarHBondContact O-NZ 3.24Å
532K95.1Very high95.2Very high113 Ų11345.5 Ų45.549%0.49121%0.21SC..Hα-helixtrans-87.5-59.8174.1-67.4-177.7178.5179.30110.8E416 K529 Y530 K534E416-K532 HydrophobicContact CB-CB 4.45Å; E416-K532 HydrophobicContact CB-CD 4.17Å; E416-K532 HydrophobicContact CG-CD 3.9Å; E416-K532 IonicContact OE1-NZ 3.43Å; E416-K532 PolarHBondContact OE1-NZ 3.21Å; E416-K532 WeakPolarHBondContact OE2-CD 3.39Å; E416-K532 WeakPolarHBondContact OE2-CE 3.48Å; E416-K532 IonicContact OE2-NZ 3.86Å; E416-K532 PolarHBondContact OE2-NZ 3.25Å; K529-K532 PolarHBondContact O-N 3.37Å; Y530-K532 PolarHBondContact O-N 3.24Å; K532-K534 VanDerWaalsContact C-N 3.29Å; K532-K534 WeakPolarHBondContact O-CE 3.43Å; K532-K534 PolarHBondContact O-N 2.87Å
533N95.9Very high95Very high0 Ų046.6 Ų46.60%022%0.217CC..Hα-helixtrans-78.4-7.3-169.472.330.9000114.3L415 D417 E418 G419 I420 V526 K529 Y530 M535L415-N533 WeakPolarHBondContact O-CB 3.34Å; L415-N533 PolarHBondContact O-ND2 2.89Å; D417-N533 WeakPolarHBondContact O-CB 3.46Å; E418-N533 CarbonylContact C-O 3.56Å; E418-N533 WeakPolarHBondContact CA-O 3.26Å; G419-N533 PolarHBondContact N-O 3.21Å; I420-N533 HydrophobicContact CG2-CB 4.26Å; V526-N533 PolarHBondContact O-ND2 3.25Å; K529-N533 PolarHBondContact O-N 3.17Å; Y530-N533 WeakPolarHBondContact CA-OD1 3.23Å; N533-M535 PolarHBondContact O-N 3.36Å; N533-M535 WeakPolarHBondContact OD1-CA 3.18Å; N533-M535 WeakPolarHBondContact OD1-CB 3.29Å; N533-M535 PolarHBondContact OD1-N 2.96Å
534K94.1Very high94.9Very high103 Ų10346.6 Ų46.645%0.44822%0.217SC..  trans59.820.2179.7-40.3-55178.9-176.80114.9Y530 E531 K532 N539Y530-K534 WeakPolarHBondContact O-CA 3.26Å; Y530-K534 PolarHBondContact O-N 3.23Å; E531-K534 PolarHBondContact O-NZ 3.24Å; K532-K534 VanDerWaalsContact C-N 3.29Å; K532-K534 WeakPolarHBondContact O-CE 3.43Å; K532-K534 PolarHBondContact O-N 2.87Å; K534-N539 PolarHBondContact O-ND2 3.13Å
535M94.6Very high94.6Very high0 Ų046.1 Ų46.10%021%0.214CC..  trans-10987.3176.8-63.1-58.3-64.800110.3I420 R422 V526 Y530 N533 N539 L540 V543I420-M535 HydrophobicContact CG2-CG 4.05Å; I420-M535 WeakPolarHBondContact O-CG 3.5Å; R422-M535 HydrophobicContact CB-CE 3.81Å; R422-M535 HydrophobicContact CB-SD 3.68Å; V526-M535 HydrophobicContact CG1-CB 4.23Å; Y530-M535 WeakPolarHBondContact CB-O 3.41Å; N533-M535 PolarHBondContact O-N 3.36Å; N533-M535 WeakPolarHBondContact OD1-CA 3.18Å; N533-M535 WeakPolarHBondContact OD1-CB 3.29Å; N533-M535 PolarHBondContact OD1-N 2.96Å; M535-N539 HydrophobicContact CE-CB 3.69Å; M535-N539 WeakPolarHBondContact CE-O 3.25Å; M535-N539 HydrophobicContact SD-CB 4.04Å; M535-L540 HydrophobicContact CB-CD2 3.98Å; M535-L540 HydrophobicContact CB-CG 4.24Å; M535-L540 HydrophobicContact CE-CD2 3.71Å; M535-L540 HydrophobicContact CE-CG 4.37Å; M535-L540 HydrophobicContact CG-CD2 4.5Å; M535-V543 HydrophobicContact CE-CG2 4.33Å
536S94.3Very high94.2Very high38 Ų3845.6 Ų45.627%0.26621%0.214SC..  trans-65.3166.7167.963.80000111.2F538 N539 L540S536-F538 VanDerWaalsContact C-N 3.26Å; S536-F538 PolarHBondContact O-N 3.31Å; S536-N539 PolarHBondContact O-N 3.1Å; S536-N539 PolarHBondContact OG-N 2.73Å; S536-N539 PolarHBondContact OG-OD1 3.32Å; S536-L540 PolarHBondContact O-N 2.95Å
537V96Very high93.9Very high26 Ų2646.3 Ų46.316%0.15822%0.218CC..Hα-helixtrans-51.4-46.6173.6178.80000111.2N539 L540 G541 N570 I573V537-N539 PolarHBondContact O-N 2.87Å; V537-L540 PolarHBondContact O-N 3.38Å; V537-L540 VanDerWaalsContact O-N 3.15Å; V537-G541 PolarHBondContact O-N 3.35Å; V537-N570 HydrophobicContact CG1-CB 4Å; V537-N570 PolarHBondContact O-OD1 2.97Å; V537-I573 HydrophobicContact CB-CG2 4.46Å; V537-I573 HydrophobicContact CG1-CB 3.94Å; V537-I573 HydrophobicContact CG1-CD1 4.35Å; V537-I573 HydrophobicContact CG1-CG2 3.95Å; V537-I573 HydrophobicContact CG2-CG2 3.85Å
538F91.2Very high93.9Very high39 Ų3945.6 Ų45.617%0.17121%0.213CC..Hα-helixtrans-57.3-45.4174.6173.6-109.6000113.2K242 S536 L540 G541 V542 N570K242-F538 HydrophobicContact CD-CE2 4.24Å; K242-F538 HydrophobicContact CD-CZ 4.25Å; K242-F538 VanDerWaalsContact CE-CD2 3.41Å; K242-F538 HydrophobicContact CG-CE1 3.8Å; K242-F538 HydrophobicContact CG-CE2 3.9Å; K242-F538 HydrophobicContact CG-CZ 3.45Å; K242-F538 VanDerWaalsContact CG-CZ 3.45Å; S536-F538 VanDerWaalsContact C-N 3.26Å; S536-F538 PolarHBondContact O-N 3.31Å; F538-L540 PolarHBondContact O-N 3.2Å; F538-G541 PolarHBondContact O-N 3.27Å; F538-G541 VanDerWaalsContact O-N 3.11Å; F538-V542 HydrophobicContact CD2-CG2 4.21Å; F538-V542 HydrophobicContact CE1-CG2 4.01Å; F538-V542 HydrophobicContact CE2-CG2 3.59Å; F538-V542 HydrophobicContact CZ-CG2 3.46Å; F538-V542 VanDerWaalsContact CZ-CG2 3.46Å; F538-V542 WeakPolarHBondContact O-CG2 3.27Å; F538-V542 PolarHBondContact O-N 3.38Å; F538-N570 WeakPolarHBondContact CA-OD1 3.32Å
539N92.4Very high93.6Very high40 Ų4038.8 Ų38.821%0.21419%0.187CC..Hα-helixtrans-64.3-31.3179.8-64.3-1.1000111.7K534 M535 S536 V537 V543K534-N539 PolarHBondContact O-ND2 3.13Å; M535-N539 HydrophobicContact CE-CB 3.69Å; M535-N539 WeakPolarHBondContact CE-O 3.25Å; M535-N539 HydrophobicContact SD-CB 4.04Å; S536-N539 PolarHBondContact O-N 3.1Å; S536-N539 PolarHBondContact OG-N 2.73Å; S536-N539 PolarHBondContact OG-OD1 3.32Å; V537-N539 PolarHBondContact O-N 2.87Å; N539-V543 WeakPolarHBondContact O-CG2 3.48Å
540L95.9Very high93.3Very high0 Ų036.7 Ų36.70%018%0.177CC..Hα-helixtrans-75.6-38.9172.2-61.8173.4000111.4Y421 L523 V526 M535 S536 V537 F538 V542 V543 F544 I573Y421-L540 HydrophobicContact CD2-CD2 4.38Å; L523-L540 HydrophobicContact CB-CD1 4.28Å; L523-L540 HydrophobicContact CD2-CD2 4.28Å; L523-L540 VanDerWaalsContact O-CD1 3.29Å; L523-L540 WeakPolarHBondContact O-CD1 3.44Å; V526-L540 HydrophobicContact CB-CD1 4.16Å; V526-L540 HydrophobicContact CG1-CD1 3.96Å; V526-L540 HydrophobicContact CG1-CD2 3.99Å; M535-L540 HydrophobicContact CB-CD2 3.98Å; M535-L540 HydrophobicContact CB-CG 4.24Å; M535-L540 HydrophobicContact CE-CD2 3.71Å; M535-L540 HydrophobicContact CE-CG 4.37Å; M535-L540 HydrophobicContact CG-CD2 4.5Å; S536-L540 PolarHBondContact O-N 2.95Å; V537-L540 PolarHBondContact O-N 3.38Å; V537-L540 VanDerWaalsContact O-N 3.15Å; F538-L540 PolarHBondContact O-N 3.2Å; L540-V542 PolarHBondContact O-N 3.32Å; L540-V543 PolarHBondContact O-N 3.06Å; L540-V543 VanDerWaalsContact O-N 3.13Å; L540-F544 WeakPolarHBondContact O-CB 3.29Å; L540-F544 PolarHBondContact O-N 2.94Å; L540-I573 HydrophobicContact CB-CD1 4.06Å; L540-I573 HydrophobicContact CD1-CD1 4.43Å
541G94Very high92.8Very high0 Ų032.9 Ų32.90%017%0.168CC..Hα-helixtrans-56.7-45174.700000113.1V537 F538 V543 G545 N566 N570V537-G541 PolarHBondContact O-N 3.35Å; F538-G541 PolarHBondContact O-N 3.27Å; F538-G541 VanDerWaalsContact O-N 3.11Å; G541-V543 PolarHBondContact O-N 3.49Å; G541-G545 WeakPolarHBondContact O-CA 3.35Å; G541-G545 PolarHBondContact O-N 2.9Å; G541-N566 PolarHBondContact O-OD1 3.49Å; G541-N570 WeakPolarHBondContact CA-OD1 3.35Å
542V91Very high92.1Very high39 Ų3935.5 Ų35.524%0.23617%0.172CC..Hα-helixtrans-61.7-40.3174.1175.10000112F538 L540 P546F538-V542 HydrophobicContact CD2-CG2 4.21Å; F538-V542 HydrophobicContact CE1-CG2 4.01Å; F538-V542 HydrophobicContact CE2-CG2 3.59Å; F538-V542 HydrophobicContact CZ-CG2 3.46Å; F538-V542 VanDerWaalsContact CZ-CG2 3.46Å; F538-V542 WeakPolarHBondContact O-CG2 3.27Å; F538-V542 PolarHBondContact O-N 3.38Å; L540-V542 PolarHBondContact O-N 3.32Å; V542-P546 WeakPolarHBondContact O-CD 3.29Å
543V92.5Very high91Very high26 Ų2635.9 Ų35.916%0.15818%0.175CC..Hα-helixtrans-75.2-36.7-178.8173.60000112.6R422 K466 M535 N539 L540 G541 T547R422-V543 HydrophobicContact CB-CG2 4.45Å; K466-V543 HydrophobicContact CD-CG1 3.51Å; M535-V543 HydrophobicContact CE-CG2 4.33Å; N539-V543 WeakPolarHBondContact O-CG2 3.48Å; L540-V543 PolarHBondContact O-N 3.06Å; L540-V543 VanDerWaalsContact O-N 3.13Å; G541-V543 PolarHBondContact O-N 3.49Å; V543-T547 PolarHBondContact O-OG1 3.39Å
544F95.8Very high90.1Very high0 Ų040.7 Ų40.70%020%0.198CC..Hα-helixtrans-99.3-22.2-172.9-79.7-89000114.6Y421 L465 K466 L469 V519 L523 L540 T547 L548 I569Y421-F544 AromaticContact CD1-CE2 3.86Å; Y421-F544 HydrophobicContact CD1-CE2 3.86Å; Y421-F544 AromaticContact CD1-CZ 3.57Å; Y421-F544 HydrophobicContact CD1-CZ 3.57Å; Y421-F544 HydrophobicContact CD2-CE2 4.08Å; Y421-F544 HydrophobicContact CD2-CZ 4.35Å; Y421-F544 HydrophobicContact CE1-CE2 4.44Å; Y421-F544 AromaticContact CE1-CZ 3.81Å; Y421-F544 HydrophobicContact CE1-CZ 3.81Å; Y421-F544 AromaticContact CG-CE2 3.66Å; Y421-F544 HydrophobicContact CG-CE2 3.66Å; Y421-F544 AromaticContact CG-CZ 3.87Å; Y421-F544 HydrophobicContact CG-CZ 3.87Å; L465-F544 HydrophobicContact CD2-CE1 4.08Å; L465-F544 HydrophobicContact CD2-CZ 4.21Å; K466-F544 HydrophobicContact CD-CZ 4.36Å; K466-F544 HydrophobicContact CG-CE1 4.06Å; K466-F544 HydrophobicContact CG-CZ 3.85Å; L469-F544 HydrophobicContact CD1-CE1 4.42Å; V519-F544 HydrophobicContact CG1-CE1 4.4Å; L523-F544 HydrophobicContact CD1-CB 4.2Å; L523-F544 HydrophobicContact CD1-CD1 3.95Å; L523-F544 HydrophobicContact CD1-CD2 3.66Å; L523-F544 HydrophobicContact CD1-CE1 4.22Å; L523-F544 HydrophobicContact CD1-CE2 3.95Å; L523-F544 HydrophobicContact CD1-CG 3.66Å; L523-F544 HydrophobicContact CD1-CZ 4.22Å; L523-F544 HydrophobicContact CD2-CD2 3.95Å; L523-F544 HydrophobicContact CD2-CE1 4.46Å; L523-F544 HydrophobicContact CD2-CE2 3.43Å; L523-F544 VanDerWaalsContact CD2-CE2 3.43Å; L523-F544 HydrophobicContact CD2-CZ 3.73Å; L523-F544 HydrophobicContact CG-CD2 4.49Å; L523-F544 HydrophobicContact CG-CE2 4.34Å; L540-F544 WeakPolarHBondContact O-CB 3.29Å; L540-F544 PolarHBondContact O-N 2.94Å; F544-T547 WeakPolarHBondContact O-CA 3.45Å; F544-T547 WeakPolarHBondContact O-CB 3.12Å; F544-T547 PolarHBondContact O-N 2.97Å; F544-L548 HydrophobicContact CB-CD1 4.2Å; F544-L548 HydrophobicContact CB-CG 4.36Å; F544-L548 HydrophobicContact CD1-CD1 4.15Å; F544-L548 HydrophobicContact CD1-CD2 4.41Å; F544-L548 HydrophobicContact CD1-CG 4.17Å; F544-L548 WeakPolarHBondContact O-CB 3.43Å; F544-L548 WeakPolarHBondContact O-CG 3.35Å; F544-L548 PolarHBondContact O-N 3.15Å; F544-I569 HydrophobicContact CB-CG2 4.03Å
545G93Very high89.5Confident0 Ų037.6 Ų37.60%019%0.189CC..Hα-helixtrans-52.6-57.4174.800000112.6G541 T547 L549G541-G545 WeakPolarHBondContact O-CA 3.35Å; G541-G545 PolarHBondContact O-N 2.9Å; G545-T547 PolarHBondContact O-N 3.48Å; G545-L549 WeakPolarHBondContact O-CB 3.41Å; G545-L549 PolarHBondContact O-N 3.13Å
546P88.7Confident89.1Confident36 Ų3641.3 Ų41.323%0.23421%0.211CC..Hα-helixtrans-67.8-16.9175.5-18.331.8000114.2V542 I562V542-P546 WeakPolarHBondContact O-CD 3.29Å; P546-I562 HydrophobicContact CG-CG2 3.95Å
547T91.6Very high88.6Confident14 Ų1442.7 Ų42.79%0.08623%0.225CC..Hα-helixtrans-83.7-45.5-179.3-60.20000111.2L469 R470 V543 F544 G545 R550L469-T547 HydrophobicContact CB-CG2 4.02Å; R470-T547 HydrophobicContact CB-CG2 4.35Å; V543-T547 PolarHBondContact O-OG1 3.39Å; F544-T547 WeakPolarHBondContact O-CA 3.45Å; F544-T547 WeakPolarHBondContact O-CB 3.12Å; F544-T547 PolarHBondContact O-N 2.97Å; G545-T547 PolarHBondContact O-N 3.48Å; T547-R550 PolarHBondContact O-NH1 3.08Å
548L95.4Very high88Confident0 Ų042.3 Ų42.30%023%0.225CC..Hα-helixtrans-95-29.8-172.1-57.3-176.5000113.6L469 P475 L476 M477 L516 V519 F544 I569L469-L548 HydrophobicContact CB-CD2 4.28Å; L469-L548 HydrophobicContact CD1-CD2 4.05Å; P475-L548 VanDerWaalsContact CB-O 3.3Å; P475-L548 WeakPolarHBondContact CB-O 3.36Å; L476-L548 HydrophobicContact CB-CD2 4.17Å; L476-L548 HydrophobicContact CD2-CD2 3.99Å; L476-L548 PolarHBondContact N-O 3.2Å; M477-L548 HydrophobicContact CG-CB 4.49Å; M477-L548 PolarHBondContact N-O 3.25Å; M477-L548 HydrophobicContact SD-CB 4.4Å; L516-L548 HydrophobicContact CD1-CD1 4.19Å; V519-L548 HydrophobicContact CG1-CD1 4.45Å; F544-L548 HydrophobicContact CB-CD1 4.2Å; F544-L548 HydrophobicContact CB-CG 4.36Å; F544-L548 HydrophobicContact CD1-CD1 4.15Å; F544-L548 HydrophobicContact CD1-CD2 4.41Å; F544-L548 HydrophobicContact CD1-CG 4.17Å; F544-L548 WeakPolarHBondContact O-CB 3.43Å; F544-L548 WeakPolarHBondContact O-CG 3.35Å; F544-L548 PolarHBondContact O-N 3.15Å; L548-I569 HydrophobicContact CB-CD1 4.23Å; L548-I569 HydrophobicContact CD1-CD1 3.88Å
549L91.5Very high87.7Confident0 Ų041.3 Ų41.30%022%0.221CC..  trans-113.695.2172.7-74.4159.9000108.4M477 F485 G545 N565 V568M477-L549 HydrophobicContact CB-CD2 3.64Å; M477-L549 HydrophobicContact CB-CG 4.13Å; M477-L549 HydrophobicContact CE-CD1 4.41Å; M477-L549 HydrophobicContact CE-CD2 4.35Å; M477-L549 HydrophobicContact CE-CG 4.47Å; M477-L549 HydrophobicContact CG-CD2 4.41Å; M477-L549 HydrophobicContact CG-CG 4.43Å; M477-L549 HydrophobicContact SD-CD1 4Å; M477-L549 HydrophobicContact SD-CD2 4.12Å; M477-L549 HydrophobicContact SD-CG 3.77Å; F485-L549 HydrophobicContact CB-CD2 4.13Å; F485-L549 HydrophobicContact CD2-CD2 4.16Å; F485-L549 HydrophobicContact CG-CD2 4.4Å; G545-L549 WeakPolarHBondContact O-CB 3.41Å; G545-L549 PolarHBondContact O-N 3.13Å; L549-N565 HydrophobicContact CB-CB 4.1Å; L549-N565 WeakPolarHBondContact CB-ND2 3.48Å; L549-N565 HydrophobicContact CD1-CB 4.15Å; L549-N565 PolarHBondContact O-ND2 3.02Å; L549-V568 HydrophobicContact CD1-CB 3.77Å; L549-V568 HydrophobicContact CD1-CG1 3.91Å; L549-V568 HydrophobicContact CD1-CG2 4Å
550R87.9Confident87.4Confident32 Ų3241.8 Ų41.812%0.12122%0.223CC..  trans-97.8124.7173.8-61.2-170.1-68.5-8314108.7L469 R470 L472 E474 P475 Y479 H482 T547L469-R550 PolarHBondContact O-NH1 2.83Å; R470-R550 PolarHBondContact O-NE 2.85Å; R470-R550 PolarHBondContact O-NH1 3.07Å; R470-R550 PolarHBondContact O-NH2 3.04Å; L472-R550 PolarHBondContact O-NH2 3.42Å; E474-R550 VanDerWaalsContact C-NH2 3.28Å; E474-R550 PolarHBondContact O-NH2 2.96Å; E474-R550 VanDerWaalsContact O-NH2 3.08Å; P475-R550 HydrophobicContact CB-CB 3.97Å; P475-R550 HydrophobicContact CB-CG 4.23Å; P475-R550 HydrophobicContact CG-CB 4.12Å; Y479-R550 WeakPolarHBondContact CD1-O 3.48Å; Y479-R550 HydrophobicContact CE1-CB 4.38Å; Y479-R550 VanDerWaalsContact CE1-O 3.25Å; Y479-R550 WeakPolarHBondContact CE1-O 3.49Å; H482-R550 VanDerWaalsContact CD2-C 3.48Å; H482-R550 PolarHBondContact CD2-O 3.08Å; T547-R550 PolarHBondContact O-NH1 3.08Å
551P83.8Confident87Confident43 Ų4343.2 Ų43.228%0.27923%0.231SC..  trans-67.6148.9176.327.9-34.3000110.6H482 A558H482-P551 WeakPolarHBondContact NE2-CA 3.44Å; P551-A558 HydrophobicContact CB-CB 3.84Å; P551-A558 HydrophobicContact CG-CB 4.14Å
552R79.2Confident86.7Confident197 Ų19744 Ų4474%0.74324%0.235SC*.SBendtrans-71.9-28.7179.2-174.6175175.2169.30.5113.1Y479Y479-R552 HydrophobicContact CD1-CB 3.83Å; Y479-R552 HydrophobicContact CD1-CG 4.44Å; Y479-R552 HydrophobicContact CE1-CB 4.29Å; Y479-R552 HydrophobicContact CG-CB 4.29Å
553E72.9Confident86.7Confident120 Ų12043.6 Ų43.656%0.56123%0.23SC*.SBendtrans-120.4126.2178.1-67.6-173.5-164.100110.9S555 A558E553-S555 PolarHBondContact O-N 3.07Å; E553-S555 VanDerWaalsContact O-N 3.07Å; E553-A558 WeakPolarHBondContact O-CB 3.33Å
554E76Confident86.7Confident102 Ų10242.5 Ų42.548%0.47722%0.223SC..  trans-71.6100.1168.3-61.4-168168.900109.6L257 K260L257-E554 HydrophobicContact CD1-CB 3.62Å; K260-E554 WeakPolarHBondContact CD-OE2 3.48Å; K260-E554 IonicContact NZ-OE1 2.86Å; K260-E554 PolarHBondContact NZ-OE1 2.74Å; K260-E554 IonicContact NZ-OE2 2.7Å; K260-E554 PolarHBondContact NZ-OE2 2.87Å
555S82.2Confident86.6Confident38 Ų3842.6 Ų42.627%0.26622%0.224SC..  trans-140.8158.418072.50000111.5E553 A557 A558 I559E553-S555 PolarHBondContact O-N 3.07Å; E553-S555 VanDerWaalsContact O-N 3.07Å; S555-A557 VanDerWaalsContact C-N 3.29Å; S555-A557 PolarHBondContact O-N 2.79Å; S555-A558 PolarHBondContact O-N 3.02Å; S555-A558 VanDerWaalsContact OG-CB 3.31Å; S555-A558 WeakPolarHBondContact OG-CB 3.38Å; S555-A558 PolarHBondContact OG-N 3.02Å; S555-A558 VanDerWaalsContact OG-N 3.15Å; S555-I559 WeakPolarHBondContact O-CG1 3.2Å; S555-I559 PolarHBondContact O-N 2.9Å
556V85.1Confident86.6Confident77 Ų7742.8 Ų42.847%0.46722%0.224SC..Hα-helixtrans-61.8-37.7178.3-179.50000111.6V254 L257 I559 L560V254-V556 HydrophobicContact CG2-CG1 4.25Å; V254-V556 HydrophobicContact CG2-CG2 4.46Å; L257-V556 HydrophobicContact CD2-CG2 4.33Å; V556-I559 PolarHBondContact O-N 3.25Å; V556-L560 HydrophobicContact CG1-CD1 4.33Å; V556-L560 WeakPolarHBondContact O-CG 3.17Å; V556-L560 PolarHBondContact O-N 3.38Å
557A84.9Confident86.9Confident67 Ų6742.2 Ų42.255%0.55422%0.219SC*.Hα-helixtrans-62.8-45.7174.700000111.6S555 I559 L560 D561S555-A557 VanDerWaalsContact C-N 3.29Å; S555-A557 PolarHBondContact O-N 2.79Å; A557-I559 VanDerWaalsContact C-N 3.27Å; A557-I559 PolarHBondContact O-N 3.27Å; A557-L560 PolarHBondContact O-N 3.15Å; A557-D561 PolarHBondContact O-N 2.98Å
558A84Confident87.1Confident19 Ų1941.6 Ų41.616%0.15722%0.215CC..Hα-helixtrans-64.6-29.4175.900000113.1P551 E553 S555 I562P551-A558 HydrophobicContact CB-CB 3.84Å; P551-A558 HydrophobicContact CG-CB 4.14Å; E553-A558 WeakPolarHBondContact O-CB 3.33Å; S555-A558 PolarHBondContact O-N 3.02Å; S555-A558 VanDerWaalsContact OG-CB 3.31Å; S555-A558 WeakPolarHBondContact OG-CB 3.38Å; S555-A558 PolarHBondContact OG-N 3.02Å; S555-A558 VanDerWaalsContact OG-N 3.15Å; A558-I562 WeakPolarHBondContact O-CG1 3.2Å
559I84.5Confident87.2Confident18 Ų1841.6 Ų41.69%0.09222%0.215CC..Hα-helixtrans-72.9-41.8173.9-67.1162.2000111.3A250 K253 V254 L257 S555 V556 A557 D561 I562A250-I559 HydrophobicContact CB-CG2 3.98Å; K253-I559 HydrophobicContact CB-CD1 4.05Å; K253-I559 HydrophobicContact CB-CG1 4.16Å; K253-I559 HydrophobicContact CB-CG2 3.81Å; K253-I559 HydrophobicContact CD-CG2 4.44Å; V254-I559 HydrophobicContact CG2-CB 4.41Å; V254-I559 HydrophobicContact CG2-CD1 3.96Å; V254-I559 HydrophobicContact CG2-CG2 4.02Å; L257-I559 HydrophobicContact CB-CD1 4.22Å; L257-I559 HydrophobicContact CD2-CD1 3.71Å; S555-I559 WeakPolarHBondContact O-CG1 3.2Å; S555-I559 PolarHBondContact O-N 2.9Å; V556-I559 PolarHBondContact O-N 3.25Å; A557-I559 VanDerWaalsContact C-N 3.27Å; A557-I559 PolarHBondContact O-N 3.27Å; I559-D561 VanDerWaalsContact C-N 3.29Å; I559-D561 PolarHBondContact O-N 3.05Å; I559-I562 HydrophobicContact CB-CD1 4.49Å; I559-I562 HydrophobicContact CG2-CD1 4.41Å; I559-I562 WeakPolarHBondContact O-CB 3.4Å; I559-I562 WeakPolarHBondContact O-CG1 3.08Å; I559-I562 PolarHBondContact O-N 3.27Å
560L85Confident87.4Confident49 Ų4942.7 Ų42.726%0.25722%0.221SC..Hα-helixtrans-62.1-37.9175.5-72169.6000111.8I80 V556 A557 I562 K563I80-L560 HydrophobicContact CG2-CD1 3.87Å; V556-L560 HydrophobicContact CG1-CD1 4.33Å; V556-L560 WeakPolarHBondContact O-CG 3.17Å; V556-L560 PolarHBondContact O-N 3.38Å; A557-L560 PolarHBondContact O-N 3.15Å; L560-I562 PolarHBondContact O-N 3.49Å; L560-K563 WeakPolarHBondContact O-CE 3.18Å
561D88.9Confident87.8Confident31 Ų3141.5 Ų41.517%0.16622%0.217CC..THydrogen-bonded Turntrans-72.2-9.1178.7-88.7-2.3000114.2I486 K490 A557 I559 K563 F564 N565I486-D561 HydrophobicContact CG2-CB 4.2Å; K490-D561 WeakPolarHBondContact CE-OD1 3.04Å; K490-D561 VanDerWaalsContact NZ-CG 3.34Å; K490-D561 IonicContact NZ-OD1 3.61Å; K490-D561 PolarHBondContact NZ-OD1 3.21Å; K490-D561 IonicContact NZ-OD2 3.27Å; K490-D561 PolarHBondContact NZ-OD2 2.81Å; A557-D561 PolarHBondContact O-N 2.98Å; I559-D561 VanDerWaalsContact C-N 3.29Å; I559-D561 PolarHBondContact O-N 3.05Å; D561-K563 PolarHBondContact O-N 2.74Å; D561-K563 VanDerWaalsContact O-N 3.08Å; D561-F564 HydrophobicContact CB-CD2 4.29Å; D561-F564 WeakPolarHBondContact O-CA 3.46Å; D561-F564 WeakPolarHBondContact O-CB 3.34Å; D561-F564 PolarHBondContact O-N 2.67Å; D561-N565 PolarHBondContact O-N 2.97Å; D561-N565 PolarHBondContact O-OD1 2.98Å; D561-N565 VanDerWaalsContact O-OD1 3.13Å
562I87.8Confident88.5Confident15 Ų1539.4 Ų39.48%0.07720%0.204CC..Hα-helixtrans-56.5-29.7177.6-65.8177.6000112.3K253 P546 A558 I559 L560 F564 N565 N566K253-I562 HydrophobicContact CD-CD1 3.59Å; P546-I562 HydrophobicContact CG-CG2 3.95Å; A558-I562 WeakPolarHBondContact O-CG1 3.2Å; I559-I562 HydrophobicContact CB-CD1 4.49Å; I559-I562 HydrophobicContact CG2-CD1 4.41Å; I559-I562 WeakPolarHBondContact O-CB 3.4Å; I559-I562 WeakPolarHBondContact O-CG1 3.08Å; I559-I562 PolarHBondContact O-N 3.27Å; L560-I562 PolarHBondContact O-N 3.49Å; I562-F564 PolarHBondContact O-N 2.98Å; I562-N565 WeakPolarHBondContact CA-OD1 3.34Å; I562-N565 VanDerWaalsContact O-CB 3.31Å; I562-N565 WeakPolarHBondContact O-CB 3.45Å; I562-N565 PolarHBondContact O-N 3.18Å; I562-N566 PolarHBondContact O-N 3.15Å; I562-N566 VanDerWaalsContact O-N 3.12Å; I562-N566 PolarHBondContact O-OD1 2.92Å
563K89.6Confident89.4Confident32 Ų3230.2 Ų30.214%0.13917%0.169CC..Hα-helixtrans-56.3-31.9173.673.5-177.979.5172.20112.4T85 E88 L560 D561 I567T85-K563 HydrophobicContact CG2-CB 4.3Å; T85-K563 HydrophobicContact CG2-CD 3.5Å; T85-K563 VanDerWaalsContact CG2-CD 3.5Å; T85-K563 HydrophobicContact CG2-CG 3.74Å; E88-K563 VanDerWaalsContact CD-NZ 3.34Å; E88-K563 IonicContact OE1-NZ 2.68Å; E88-K563 PolarHBondContact OE1-NZ 3.15Å; E88-K563 WeakPolarHBondContact OE2-CD 3.31Å; E88-K563 IonicContact OE2-NZ 2.74Å; E88-K563 PolarHBondContact OE2-NZ 3.02Å; L560-K563 WeakPolarHBondContact O-CE 3.18Å; D561-K563 PolarHBondContact O-N 2.74Å; D561-K563 VanDerWaalsContact O-N 3.08Å; K563-I567 WeakPolarHBondContact O-CG1 3.33Å; K563-I567 PolarHBondContact O-N 2.7Å
564F93Very high90.5Very high3 Ų329.7 Ų29.71%0.01317%0.171CC..Hα-helixtrans-79.7-33.3175.7-58.8-70.6000112.1A83 T85 I486 A489 K490 D561 I562 N566 I567 V568A83-F564 HydrophobicContact CB-CE1 4.48Å; A83-F564 HydrophobicContact CB-CE2 4.36Å; A83-F564 HydrophobicContact CB-CZ 3.79Å; T85-F564 HydrophobicContact CG2-CD1 4.23Å; T85-F564 HydrophobicContact CG2-CE1 3.71Å; T85-F564 HydrophobicContact CG2-CZ 4.09Å; I486-F564 HydrophobicContact CD1-CB 4.27Å; I486-F564 HydrophobicContact CG2-CB 4.06Å; I486-F564 HydrophobicContact CG2-CD2 4.42Å; I486-F564 HydrophobicContact CG2-CG 4.49Å; A489-F564 HydrophobicContact CB-CB 4.06Å; A489-F564 HydrophobicContact CB-CD1 4.5Å; K490-F564 HydrophobicContact CD-CD2 4.48Å; K490-F564 HydrophobicContact CD-CE2 4.41Å; K490-F564 HydrophobicContact CG-CD1 3.79Å; K490-F564 HydrophobicContact CG-CD2 4.11Å; K490-F564 HydrophobicContact CG-CE1 3.74Å; K490-F564 HydrophobicContact CG-CE2 4.07Å; K490-F564 HydrophobicContact CG-CG 4Å; K490-F564 HydrophobicContact CG-CZ 3.9Å; D561-F564 HydrophobicContact CB-CD2 4.29Å; D561-F564 WeakPolarHBondContact O-CA 3.46Å; D561-F564 WeakPolarHBondContact O-CB 3.34Å; D561-F564 PolarHBondContact O-N 2.67Å; I562-F564 PolarHBondContact O-N 2.98Å; F564-N566 PolarHBondContact O-N 2.75Å; F564-I567 HydrophobicContact CD1-CD1 4.09Å; F564-I567 WeakPolarHBondContact O-CA 3.25Å; F564-I567 WeakPolarHBondContact O-CB 3.21Å; F564-I567 PolarHBondContact O-N 3.33Å; F564-V568 WeakPolarHBondContact O-CG2 3.38Å; F564-V568 PolarHBondContact O-N 2.99Å
565N92.9Very high91.5Very high2 Ų226.5 Ų26.51%0.01116%0.157CC..Hα-helixtrans-54.4-43.9169.5-54.636.1000110.3I486 L549 D561 I562 I567 V568 I569I486-N565 HydrophobicContact CD1-CB 4.42Å; I486-N565 WeakPolarHBondContact CD1-OD1 3.22Å; L549-N565 HydrophobicContact CB-CB 4.1Å; L549-N565 WeakPolarHBondContact CB-ND2 3.48Å; L549-N565 HydrophobicContact CD1-CB 4.15Å; L549-N565 PolarHBondContact O-ND2 3.02Å; D561-N565 PolarHBondContact O-N 2.97Å; D561-N565 PolarHBondContact O-OD1 2.98Å; D561-N565 VanDerWaalsContact O-OD1 3.13Å; I562-N565 WeakPolarHBondContact CA-OD1 3.34Å; I562-N565 VanDerWaalsContact O-CB 3.31Å; I562-N565 WeakPolarHBondContact O-CB 3.45Å; I562-N565 PolarHBondContact O-N 3.18Å; N565-I567 VanDerWaalsContact C-N 3.34Å; N565-I567 PolarHBondContact O-N 2.75Å; N565-V568 PolarHBondContact O-N 3.42Å; N565-I569 PolarHBondContact O-N 3.47Å
566N93.5Very high92.2Very high3 Ų325.6 Ų25.62%0.01615%0.147CC..Hα-helixtrans-64.4-38178-58.3-7.1000111.3G541 I562 F564 I569 N570G541-N566 PolarHBondContact O-OD1 3.49Å; I562-N566 PolarHBondContact O-N 3.15Å; I562-N566 VanDerWaalsContact O-N 3.12Å; I562-N566 PolarHBondContact O-OD1 2.92Å; F564-N566 PolarHBondContact O-N 2.75Å; N566-I569 PolarHBondContact O-N 3.02Å; N566-N570 PolarHBondContact O-N 3.39Å; N566-N570 PolarHBondContact O-ND2 2.89Å; N566-N570 PolarHBondContact O-OD1 3.44Å
567I94.2Very high92.7Very high25 Ų2526.5 Ų26.513%0.12815%0.147CC..Hα-helixtrans-66.1-40.3174.7-71.5168.1000112.2T85 A489 K563 F564 N565 I569 N570 I571T85-I567 HydrophobicContact CG2-CD1 3.51Å; A489-I567 HydrophobicContact CB-CB 4.41Å; A489-I567 HydrophobicContact CB-CG2 4.02Å; K563-I567 WeakPolarHBondContact O-CG1 3.33Å; K563-I567 PolarHBondContact O-N 2.7Å; F564-I567 HydrophobicContact CD1-CD1 4.09Å; F564-I567 WeakPolarHBondContact O-CA 3.25Å; F564-I567 WeakPolarHBondContact O-CB 3.21Å; F564-I567 PolarHBondContact O-N 3.33Å; N565-I567 VanDerWaalsContact C-N 3.34Å; N565-I567 PolarHBondContact O-N 2.75Å; I567-I569 VanDerWaalsContact C-N 3.32Å; I567-I569 PolarHBondContact O-N 2.69Å; I567-N570 PolarHBondContact O-N 2.87Å; I567-I571 HydrophobicContact CG2-CD1 3.79Å; I567-I571 HydrophobicContact CG2-CG1 4.44Å; I567-I571 WeakPolarHBondContact O-CG1 3.29Å; I567-I571 PolarHBondContact O-N 3.43Å
568V97.1Very high93.1Very high0 Ų027.5 Ų27.50%014%0.136CC..Hα-helixtrans-58-46.5175179.10000110.2M477 F485 A489 V501 L549 F564 N565 N570 I571 L572M477-V568 HydrophobicContact CE-CG1 3.7Å; M477-V568 HydrophobicContact SD-CG1 4.43Å; F485-V568 HydrophobicContact CB-CG2 4.22Å; F485-V568 HydrophobicContact CD1-CG1 4.06Å; F485-V568 WeakPolarHBondContact O-CG2 3.22Å; A489-V568 HydrophobicContact CB-CG2 3.68Å; V501-V568 HydrophobicContact CG1-CG1 4.33Å; V501-V568 HydrophobicContact CG2-CG1 4.47Å; L549-V568 HydrophobicContact CD1-CB 3.77Å; L549-V568 HydrophobicContact CD1-CG1 3.91Å; L549-V568 HydrophobicContact CD1-CG2 4Å; F564-V568 WeakPolarHBondContact O-CG2 3.38Å; F564-V568 PolarHBondContact O-N 2.99Å; N565-V568 PolarHBondContact O-N 3.42Å; V568-N570 PolarHBondContact O-N 2.95Å; V568-I571 WeakPolarHBondContact O-CB 3.39Å; V568-I571 PolarHBondContact O-N 2.86Å; V568-L572 HydrophobicContact CG1-CD1 4.33Å; V568-L572 HydrophobicContact CG1-CG 4.42Å; V568-L572 WeakPolarHBondContact O-CG 3.39Å; V568-L572 PolarHBondContact O-N 3.26Å
569I97.3Very high93.7Very high0 Ų026.6 Ų26.60%013%0.129CC..Hα-helixtrans-66.4-38.1179.8-58.3-45.8000112.1M477 F544 L548 N565 N566 I567 I571 L572 I573M477-I569 HydrophobicContact SD-CD1 3.97Å; F544-I569 HydrophobicContact CB-CG2 4.03Å; L548-I569 HydrophobicContact CB-CD1 4.23Å; L548-I569 HydrophobicContact CD1-CD1 3.88Å; N565-I569 PolarHBondContact O-N 3.47Å; N566-I569 PolarHBondContact O-N 3.02Å; I567-I569 VanDerWaalsContact C-N 3.32Å; I567-I569 PolarHBondContact O-N 2.69Å; I569-I571 PolarHBondContact O-N 3.33Å; I569-L572 HydrophobicContact CD1-CD1 3.97Å; I569-L572 PolarHBondContact O-N 3.5Å; I569-I573 HydrophobicContact CG2-CD1 3.86Å; I569-I573 HydrophobicContact CG2-CG1 4.48Å; I569-I573 WeakPolarHBondContact O-CG1 3.38Å; I569-I573 PolarHBondContact O-N 2.65Å; I569-I573 VanDerWaalsContact O-N 3.08Å
570N96Very high94.2Very high23 Ų2326.1 Ų26.112%0.12313%0.126CC..Hα-helixtrans-58.2-48.9172.5-61.7-23.4000111V537 F538 G541 N566 I567 V568 L572 I573 D574V537-N570 HydrophobicContact CG1-CB 4Å; V537-N570 PolarHBondContact O-OD1 2.97Å; F538-N570 WeakPolarHBondContact CA-OD1 3.32Å; G541-N570 WeakPolarHBondContact CA-OD1 3.35Å; N566-N570 PolarHBondContact O-N 3.39Å; N566-N570 PolarHBondContact O-ND2 2.89Å; N566-N570 PolarHBondContact O-OD1 3.44Å; I567-N570 PolarHBondContact O-N 2.87Å; V568-N570 PolarHBondContact O-N 2.95Å; N570-L572 VanDerWaalsContact C-N 3.32Å; N570-L572 PolarHBondContact O-N 3.03Å; N570-I573 PolarHBondContact O-N 2.81Å; N570-D574 WeakPolarHBondContact O-CB 3.45Å; N570-D574 PolarHBondContact O-N 3.12Å
571I97Very high94.5Very high7 Ų728.2 Ų28.24%0.03613%0.133CC..Hα-helixtrans-56.3-45.2177.4-72.9163.4000111.4R497 V498 V501 I567 V568 I569 I573 N575 I579R497-I571 HydrophobicContact CB-CD1 3.63Å; V498-I571 HydrophobicContact CG2-CG2 4.05Å; V501-I571 HydrophobicContact CB-CG2 4.08Å; V501-I571 HydrophobicContact CG1-CG2 3.98Å; V501-I571 HydrophobicContact CG2-CD1 4.4Å; V501-I571 HydrophobicContact CG2-CG2 4.3Å; I567-I571 HydrophobicContact CG2-CD1 3.79Å; I567-I571 HydrophobicContact CG2-CG1 4.44Å; I567-I571 WeakPolarHBondContact O-CG1 3.29Å; I567-I571 PolarHBondContact O-N 3.43Å; V568-I571 WeakPolarHBondContact O-CB 3.39Å; V568-I571 PolarHBondContact O-N 2.86Å; I569-I571 PolarHBondContact O-N 3.33Å; I571-I573 PolarHBondContact O-N 2.95Å; I571-N575 VanDerWaalsContact O-CB 3.28Å; I571-N575 WeakPolarHBondContact O-CB 3.5Å; I571-N575 PolarHBondContact O-N 2.7Å; I571-N575 PolarHBondContact O-ND2 2.95Å; I571-I579 HydrophobicContact CG2-CD1 3.86Å
572L98Very high94.6Very high0 Ų031.2 Ų31.20%015%0.149CC..Hα-helixtrans-61.8-41179.3-68.8179.4000112.4M477 V501 V505 L516 I520 V568 I569 N570 Y576 I579 F580M477-L572 HydrophobicContact CE-CD1 3.95Å; M477-L572 HydrophobicContact SD-CD1 4Å; V501-L572 HydrophobicContact CG1-CD2 3.65Å; V501-L572 HydrophobicContact CG1-CG 4.32Å; V505-L572 HydrophobicContact CG2-CD2 3.6Å; L516-L572 HydrophobicContact CD1-CD1 4.32Å; L516-L572 HydrophobicContact CD2-CD1 4.27Å; I520-L572 HydrophobicContact CD1-CB 3.84Å; I520-L572 HydrophobicContact CD1-CD1 3.94Å; I520-L572 HydrophobicContact CG1-CB 4.11Å; I520-L572 HydrophobicContact CG1-CD1 4.19Å; I520-L572 HydrophobicContact CG2-CB 4.03Å; I520-L572 VanDerWaalsContact CG2-O 3.26Å; I520-L572 WeakPolarHBondContact CG2-O 3.5Å; V568-L572 HydrophobicContact CG1-CD1 4.33Å; V568-L572 HydrophobicContact CG1-CG 4.42Å; V568-L572 WeakPolarHBondContact O-CG 3.39Å; V568-L572 PolarHBondContact O-N 3.26Å; I569-L572 HydrophobicContact CD1-CD1 3.97Å; I569-L572 PolarHBondContact O-N 3.5Å; N570-L572 VanDerWaalsContact C-N 3.32Å; N570-L572 PolarHBondContact O-N 3.03Å; L572-Y576 VanDerWaalsContact O-CA 3.23Å; L572-Y576 WeakPolarHBondContact O-CA 3.45Å; L572-Y576 PolarHBondContact O-N 3.06Å; L572-Y576 VanDerWaalsContact O-N 3.1Å; L572-I579 HydrophobicContact CD2-CD1 4.15Å; L572-I579 HydrophobicContact CD2-CG2 4.01Å; L572-F580 HydrophobicContact CB-CE2 4.48Å; L572-F580 HydrophobicContact CD2-CE2 4Å; L572-F580 HydrophobicContact CD2-CZ 4.06Å
573I97.6Very high94.6Very high4 Ų438.7 Ų38.72%0.02118%0.181CC..Hα-helixtrans-73.4-53.2179.1-65167.3000110.6I520 L523 V537 L540 I569 N570 I571 N575 Y576I520-I573 HydrophobicContact CD1-CG1 4.42Å; I520-I573 HydrophobicContact CG2-CG1 4.26Å; L523-I573 HydrophobicContact CB-CD1 3.82Å; L523-I573 HydrophobicContact CB-CG1 4.07Å; L523-I573 HydrophobicContact CD1-CD1 4.26Å; V537-I573 HydrophobicContact CB-CG2 4.46Å; V537-I573 HydrophobicContact CG1-CB 3.94Å; V537-I573 HydrophobicContact CG1-CD1 4.35Å; V537-I573 HydrophobicContact CG1-CG2 3.95Å; V537-I573 HydrophobicContact CG2-CG2 3.85Å; L540-I573 HydrophobicContact CB-CD1 4.06Å; L540-I573 HydrophobicContact CD1-CD1 4.43Å; I569-I573 HydrophobicContact CG2-CD1 3.86Å; I569-I573 HydrophobicContact CG2-CG1 4.48Å; I569-I573 WeakPolarHBondContact O-CG1 3.38Å; I569-I573 PolarHBondContact O-N 2.65Å; I569-I573 VanDerWaalsContact O-N 3.08Å; N570-I573 PolarHBondContact O-N 2.81Å; I571-I573 PolarHBondContact O-N 2.95Å; I573-N575 PolarHBondContact O-N 2.95Å; I573-N575 VanDerWaalsContact O-N 3.15Å; I573-Y576 PolarHBondContact O-N 3.26Å
574D96.7Very high94.2Very high109 Ų10939 Ų3958%0.58319%0.186SC*.Hα-helixtrans-61-27-177.9-74.2-40.3000112.9N570N570-D574 WeakPolarHBondContact O-CB 3.45Å; N570-D574 PolarHBondContact O-N 3.12Å
575N96.4Very high93.2Very high35 Ų3544 Ų4419%0.18722%0.222CC..THydrogen-bonded Turntrans-117.219.3-177.1-59.5-101.5000112.9V498 I571 I573 E577 R578 I579V498-N575 HydrophobicContact CG1-CB 4.26Å; I571-N575 VanDerWaalsContact O-CB 3.28Å; I571-N575 WeakPolarHBondContact O-CB 3.5Å; I571-N575 PolarHBondContact O-N 2.7Å; I571-N575 PolarHBondContact O-ND2 2.95Å; I573-N575 PolarHBondContact O-N 2.95Å; I573-N575 VanDerWaalsContact O-N 3.15Å; N575-E577 PolarHBondContact O-N 2.99Å; N575-R578 HydrophobicContact CB-CB 4.42Å; N575-R578 WeakPolarHBondContact O-CA 3.45Å; N575-R578 WeakPolarHBondContact O-CB 3.47Å; N575-R578 PolarHBondContact O-N 3.29Å; N575-I579 HydrophobicContact CB-CD1 3.72Å; N575-I579 HydrophobicContact CB-CG1 3.92Å; N575-I579 PolarHBondContact O-N 2.92Å
576Y97.1Very high91.3Very high18 Ų1848.1 Ų48.17%0.07126%0.256CS..Hα-helixtrans-45.7-52.5-173.3165.6-110.4000114D517 I520 C521 L572 I573 R578 I579 F580 K581D517-Y576 WeakPolarHBondContact OD1-CE2 3.36Å; I520-Y576 HydrophobicContact CB-CD2 4.38Å; I520-Y576 HydrophobicContact CG2-CD2 3.84Å; I520-Y576 HydrophobicContact CG2-CG 4.42Å; C521-Y576 HydrophobicContact CB-CE1 4.27Å; C521-Y576 HydrophobicContact CB-CE2 3.74Å; C521-Y576 VanDerWaalsContact CB-CZ 3.49Å; C521-Y576 WeakPolarHBondContact CB-OH 3.5Å; C521-Y576 PolarHBondContact SG-OH 2.85Å; L572-Y576 VanDerWaalsContact O-CA 3.23Å; L572-Y576 WeakPolarHBondContact O-CA 3.45Å; L572-Y576 PolarHBondContact O-N 3.06Å; L572-Y576 VanDerWaalsContact O-N 3.1Å; I573-Y576 PolarHBondContact O-N 3.26Å; Y576-R578 VanDerWaalsContact C-N 3.33Å; Y576-R578 PolarHBondContact O-N 3.3Å; Y576-I579 PolarHBondContact O-N 3.17Å; Y576-F580 HydrophobicContact CD2-CB 4.25Å; Y576-F580 AromaticContact CD2-CD2 3.6Å; Y576-F580 HydrophobicContact CD2-CD2 3.6Å; Y576-F580 HydrophobicContact CD2-CE2 4.29Å; Y576-F580 HydrophobicContact CD2-CG 4.14Å; Y576-F580 HydrophobicContact CE2-CB 4.14Å; Y576-F580 HydrophobicContact CE2-CD2 4.16Å; Y576-F580 HydrophobicContact CE2-CG 4.25Å; Y576-F580 PolarHBondContact O-N 3.11Å; Y576-K581 VanDerWaalsContact CZ-CE 3.42Å; Y576-K581 WeakPolarHBondContact OH-CE 3.14Å; Y576-K581 PolarHBondContact OH-NZ 2.85Å
577E94.9Very high88.9Confident96 Ų9654 Ų5445%0.44929%0.287SS..Hα-helixtrans-62.8-37.7-179.7-54-61166.100112.7R528 N575 K581 N582R528-E577 IonicContact NH2-OE1 2.81Å; N575-E577 PolarHBondContact O-N 2.99Å; E577-K581 WeakPolarHBondContact O-CB 3.49Å; E577-K581 PolarHBondContact O-N 3.29Å; E577-N582 PolarHBondContact O-ND2 2.65Å
578R93.8Very high86.2Confident89 Ų8960 Ų6034%0.33632%0.318SS..Hα-helixtrans-69.7-42.6176.8175.3178.8174.2176.3-1.5111.1V498 N499 H502 N575 Y576V498-R578 VanDerWaalsContact CG1-CZ 3.49Å; N499-R578 PolarHBondContact OD1-NH2 3.03Å; H502-R578 PolarHBondContact CE1-O 3.42Å; H502-R578 VanDerWaalsContact CE1-O 3.23Å; H502-R578 PolarHBondContact NE2-O 3.37Å; N575-R578 HydrophobicContact CB-CB 4.42Å; N575-R578 WeakPolarHBondContact O-CA 3.45Å; N575-R578 WeakPolarHBondContact O-CB 3.47Å; N575-R578 PolarHBondContact O-N 3.29Å; Y576-R578 VanDerWaalsContact C-N 3.33Å; Y576-R578 PolarHBondContact O-N 3.3Å
579I95.8Very high83.4Confident0 Ų068.8 Ų68.80%036%0.356CS..Hα-helixtrans-80.8-38.9-171.8-68.6179.9000112.4V501 H502 V505 Y506 I571 L572 N575 Y576V501-I579 HydrophobicContact CG1-CD1 4.33Å; H502-I579 HydrophobicContact CB-CG1 4.18Å; H502-I579 PolarHBondContact CD2-O 2.88Å; H502-I579 PolarHBondContact NE2-O 3.44Å; V505-I579 HydrophobicContact CB-CG2 4.15Å; V505-I579 HydrophobicContact CG1-CG2 4.15Å; V505-I579 HydrophobicContact CG2-CG2 3.98Å; Y506-I579 VanDerWaalsContact CE2-O 3.26Å; Y506-I579 WeakPolarHBondContact CE2-O 3.39Å; I571-I579 HydrophobicContact CG2-CD1 3.86Å; L572-I579 HydrophobicContact CD2-CD1 4.15Å; L572-I579 HydrophobicContact CD2-CG2 4.01Å; N575-I579 HydrophobicContact CB-CD1 3.72Å; N575-I579 HydrophobicContact CB-CG1 3.92Å; N575-I579 PolarHBondContact O-N 2.92Å; Y576-I579 PolarHBondContact O-N 3.17Å
580F95.7Very high80.2Confident8 Ų876.8 Ų76.84%0.03540%0.398CS..Hα-helixtrans-102.9-25.8-172.1-69.2-88.5000114.7V505 Y506 F513 L516 D517 I520 L572 Y576V505-F580 HydrophobicContact CG1-CD1 4.22Å; V505-F580 HydrophobicContact CG1-CE1 3.71Å; V505-F580 HydrophobicContact CG1-CZ 4.07Å; Y506-F580 PolarHBondContact OH-O 3.48Å; F513-F580 HydrophobicContact CE2-CD1 4.22Å; F513-F580 HydrophobicContact CZ-CD1 4.11Å; L516-F580 HydrophobicContact CB-CE1 4.34Å; L516-F580 HydrophobicContact CD2-CE1 4.12Å; L516-F580 HydrophobicContact CD2-CZ 3.93Å; L516-F580 HydrophobicContact CG-CE1 4.04Å; L516-F580 HydrophobicContact CG-CZ 3.87Å; D517-F580 HydrophobicContact CB-CD1 3.69Å; D517-F580 HydrophobicContact CB-CE1 4.16Å; D517-F580 HydrophobicContact CB-CG 4.46Å; D517-F580 WeakPolarHBondContact OD1-CB 3.21Å; D517-F580 WeakPolarHBondContact OD1-CG 3.39Å; I520-F580 HydrophobicContact CB-CE2 4.08Å; I520-F580 HydrophobicContact CB-CZ 4.25Å; I520-F580 HydrophobicContact CG1-CE2 4.24Å; I520-F580 HydrophobicContact CG1-CZ 4.05Å; I520-F580 HydrophobicContact CG2-CE2 3.88Å; L572-F580 HydrophobicContact CB-CE2 4.48Å; L572-F580 HydrophobicContact CD2-CE2 4Å; L572-F580 HydrophobicContact CD2-CZ 4.06Å; Y576-F580 HydrophobicContact CD2-CB 4.25Å; Y576-F580 AromaticContact CD2-CD2 3.6Å; Y576-F580 HydrophobicContact CD2-CD2 3.6Å; Y576-F580 HydrophobicContact CD2-CE2 4.29Å; Y576-F580 HydrophobicContact CD2-CG 4.14Å; Y576-F580 HydrophobicContact CE2-CB 4.14Å; Y576-F580 HydrophobicContact CE2-CD2 4.16Å; Y576-F580 HydrophobicContact CE2-CG 4.25Å; Y576-F580 PolarHBondContact O-N 3.11Å
581K92.1Very high77.4Confident92 Ų9281 Ų8140%0.443%0.427SS..SBendtrans-98.9-12.6-176.9-45.9-50.9173.9-158.70113.8D517 Y576 E577D517-K581 IonicContact OD1-NZ 3.71Å; D517-K581 PolarHBondContact OD1-NZ 3.16Å; D517-K581 IonicContact OD2-NZ 2.76Å; D517-K581 PolarHBondContact OD2-NZ 3.26Å; Y576-K581 VanDerWaalsContact CZ-CE 3.42Å; Y576-K581 WeakPolarHBondContact OH-CE 3.14Å; Y576-K581 PolarHBondContact OH-NZ 2.85Å; E577-K581 WeakPolarHBondContact O-CB 3.49Å; E577-K581 PolarHBondContact O-N 3.29Å
582N90.9Very high74.4Confident94 Ų9488.5 Ų88.550%0.50347%0.467SS..SBendtrans-120.9139.1179-62.7-84.6000110.5H502 Y506 E577H502-N582 PolarHBondContact CE1-O 2.81Å; H502-N582 PolarHBondContact NE2-O 3.09Å; Y506-N582 VanDerWaalsContact CE2-O 3.29Å; Y506-N582 WeakPolarHBondContact CE2-O 3.22Å; Y506-N582 PolarHBondContact OH-O 2.86Å; E577-N582 PolarHBondContact O-ND2 2.65Å
583K86.6Confident71.3Confident173 Ų17392 Ų9275%0.75250%0.496SS*.PPolyproline II helixtrans-69.3149.2172.9-69-177178.6-179.80110.7Y506 S585Y506-K583 HydrophobicContact CE1-CG 4.33Å; K583-S585 PolarHBondContact O-N 2.8Å
584P82.4Confident68.4Low37 Ų3798 Ų9824%0.2453%0.533CS..PPolyproline II helixtrans-63.8135.1174-15.830.7000109.4K503 Y506 A586K503-P584 HydrophobicContact CG-CB 4.19Å; Y506-P584 HydrophobicContact CD2-CG 3.48Å; Y506-P584 VanDerWaalsContact CD2-CG 3.48Å; Y506-P584 HydrophobicContact CE2-CG 4.17Å; Y506-P584 HydrophobicContact CG-CG 3.86Å; P584-A586 PolarHBondContact O-N 3.27Å
585S71.7Confident65.7Low110 Ų110102.4 Ų102.477%0.76955%0.547SS*.PPolyproline II helixtrans-67.2122174.4-62.80000109.4K583K583-S585 PolarHBondContact O-N 2.8Å
586A52.7Low62.8Low87 Ų87105.6 Ų105.672%0.71958%0.578SS**PPolyproline II helixtrans-63.6150.3175.600000110.9P584 I588P584-A586 PolarHBondContact O-N 3.27Å; A586-I588 PolarHBondContact O-N 3.47Å
587D42.2Very low59.9Low128 Ų128110.7 Ų110.768%0.68461%0.613SS**  trans-58.599.6-164.7-63.6-52.8000114.1K503 K589K503-D587 IonicContact NZ-OD1 3.87Å; K503-D587 PolarHBondContact NZ-OD1 3.19Å; D587-K589 PolarHBondContact O-N 3.01Å
588I39.1Very low56.9Low150 Ų150111.4 Ų111.477%0.76963%0.629SS**  trans-84.7101159.5-60.7179.6000107.3A586A586-I588 PolarHBondContact O-N 3.47Å
589K36.6Very low54.5Low184 Ų184114.1 Ų114.180%0.865%0.648SS**PPolyproline II helixtrans-57.8137.5167.5-61.6174.9-178.4175.50108.8D587 P591D587-K589 PolarHBondContact O-N 3.01Å; K589-P591 VanDerWaalsContact O-CD 3.26Å; K589-P591 WeakPolarHBondContact O-CD 3.41Å
590L31.9Very low51.5Low169 Ų169122.2 Ų122.289%0.88569%0.688SS**PPolyproline II helixtrans-49.6121.4179.8-91.567.5000111.6
591P37Very low48.8Very low112 Ų112131.6 Ų131.673%0.72773%0.725SS**PPolyproline II helixtrans-72.2147154.4-9.327.8000109.5K589K589-P591 VanDerWaalsContact O-CD 3.26Å; K589-P591 WeakPolarHBondContact O-CD 3.41Å
592D32.3Very low46.1Very low163 Ų163133.1 Ų133.187%0.87274%0.744SS**  trans-79.6179.5172.5-162.2-0.1000111.1
593A34.6Very low43.4Very low74 Ų74133.9 Ų133.961%0.61276%0.757SS**  trans76.394.6168.400000118.2K595A593-K595 PolarHBondContact O-N 2.87Å
594T35.1Very low40.9Very low129 Ų129137.6 Ų137.679%0.79177%0.766SS**  19.999.5122.558.30000118.4
595K40.4Very low38.7Very low203 Ų203139.9 Ų139.988%0.88378%0.783SS**  trans173.8106.3137.6-96.2155.1-174.9177.50112.1A593A593-K595 PolarHBondContact O-N 2.87Å
596A35.5Very low37Very low101 Ų101139.4 Ų139.484%0.83578%0.78SS**  trans31.1160.2146.800000123.2
597P36.6Very low36.2Very low125 Ų125138.4 Ų138.481%0.81277%0.766SS**  cis-121.5170.2-18.737.3-22000113.3
598S32.9Very low35.6Very low111 Ų111138 Ų13878%0.77677%0.77SS**  trans-80.5138.1-174.4-43.70000114.5
599I42Very low35.4Very low146 Ų146136.8 Ų136.875%0.74977%0.77SS**  trans-116.2126.7157-63.9178.3000107.3Y601I599-Y601 HydrophobicContact CG2-CE2 4.16Å
600M33.8Very low35.3Very low170 Ų170137.6 Ų137.684%0.83777%0.768SS**  trans-101.2133.2-172.8-64.3178.768.300112.1
601Y38Very low35.4Very low206 Ų206137.5 Ų137.581%0.80877%0.765SS**  trans-119.3125.7162.2-66.6-81.5000108.7I599 S603I599-Y601 HydrophobicContact CG2-CE2 4.16Å; Y601-S603 PolarHBondContact O-N 3.41Å
602P35.9Very low35.5Very low123 Ų123137.3 Ų137.380%0.79976%0.764SS**  trans-79.8119.8-171.130-34000112.3R604P602-R604 PolarHBondContact O-N 3.27Å
603S35.2Very low35.6Very low111 Ų111141.6 Ų141.678%0.77677%0.767SS**  trans-80115.1174.4-61.40000110.8Y601 S605Y601-S603 PolarHBondContact O-N 3.41Å; S603-S605 PolarHBondContact O-N 3.48Å
604R33.1Very low35.6Very low250 Ų250141.8 Ų141.894%0.94377%0.769SS**  trans-85.487.6177.1-79.9-172.7167.4-153.3-1.7111.8P602P602-R604 PolarHBondContact O-N 3.27Å
605S36.1Very low35.6Very low86 Ų86140.6 Ų140.660%0.60177%0.766SS**SBendtrans-149.539.5166.967.50000113S603S603-S605 PolarHBondContact O-N 3.48Å
606S35.5Very low35.5Very low100 Ų100139.9 Ų139.970%0.69977%0.766SS**SBendtrans-158.8149.3171.1-670000109.2
607P35.5Very low35.5Very low66 Ų66142.5 Ų142.543%0.42977%0.765SS.*  trans-56.8145.4160.7-1932.1000109.6T609P607-T609 PolarHBondContact O-N 2.92Å
608P31.2Very low35.4Very low118 Ų118140 Ų14077%0.76676%0.762SS**  trans-67.8106178.928.4-33.2000109.4R610P608-R610 PolarHBondContact O-N 3.01Å
609T34.8Very low35.4Very low125 Ų125144.6 Ų144.677%0.76777%0.767SS**  trans-55.3108.9172.3-50.10000108.8P607 M611P607-T609 PolarHBondContact O-N 2.92Å; T609-M611 PolarHBondContact O-N 2.98Å; T609-M611 VanDerWaalsContact O-N 3.08Å
610R33.5Very low35Very low202 Ų202142.4 Ų142.476%0.76277%0.772SS**PPolyproline II helixtrans-54.5117.8173.3-165.5-175.4-160.7-172.29.3107.1P608P608-R610 PolarHBondContact O-N 3.01Å
611M35.5Very low35Very low167 Ų167138.3 Ų138.382%0.82376%0.764SS**PPolyproline II helixtrans-57.7130.9-172.3-71.6-169.772.800110T609 R613T609-M611 PolarHBondContact O-N 2.98Å; T609-M611 VanDerWaalsContact O-N 3.08Å; M611-R613 PolarHBondContact O-N 3.24Å
612P37.3Very low34.6Very low107 Ų107133.5 Ų133.570%0.69576%0.761SS**PPolyproline II helixtrans-51.9135.4165.7-24.133.6000108.8A614P612-A614 PolarHBondContact O-N 2.94Å
613R34.4Very low34.4Very low253 Ų253134.7 Ų134.796%0.95577%0.766SS**  trans-70.781.2-175.3-167.2177.7-169.1162.13.6110.1M611 S615M611-R613 PolarHBondContact O-N 3.24Å; R613-S615 PolarHBondContact O-N 3.1Å
614A34.8Very low34.2Very low79 Ų79132.7 Ų132.765%0.65376%0.763SS**  trans-61.8119.7-160.500000113.5P612 Q616P612-A614 PolarHBondContact O-N 2.94Å; A614-Q616 PolarHBondContact O-N 2.91Å
615S36.2Very low34.2Very low104 Ų104125.4 Ų125.473%0.72776%0.756SS**  trans-68.6112162.451.90000109.4R613 I617R613-S615 PolarHBondContact O-N 3.1Å; S615-I617 PolarHBondContact O-N 3.29Å
616Q37Very low34.1Very low188 Ų188130.5 Ų130.588%0.87977%0.773SS**  trans-75.7114.6179.9-64.7-1752.400111A614A614-Q616 PolarHBondContact O-N 2.91Å
617I36.2Very low34Very low156 Ų156129 Ų12980%0.877%0.774SS**  trans-99.694.7172.4-60.4179.2000108.8S615S615-I617 PolarHBondContact O-N 3.29Å
618G34.5Very low34Very low73 Ų73131.7 Ų131.775%0.75379%0.794SS**  trans-82.3133.2173.200000112.1
619K32.2Very low34.1Very low206 Ų206131.2 Ų131.290%0.89679%0.793SS**  trans-98.4108.8176.8-73.3-179.5177.6176.60112
620A34.1Very low34.1Very low101 Ų101131 Ų13184%0.83580%0.797SS**  trans-167.4153.8155.200000108.5
621A33.5Very low34Very low83 Ų83129.1 Ų129.169%0.68680%0.802SS**  cis-179.9116.3-24.400000106.1
622S30.9Very low33.9Very low106 Ų106128 Ų12874%0.74180%0.804SS**  trans59.3139.8157.858.90000122.2
623T32Very low33.6Very low147 Ų147127.8 Ų127.890%0.90281%0.812SS**  trans66.3136.9163.763.20000118.5
624G30.4Very low33.6Very low70 Ų70119 Ų11972%0.72280%0.8SS**  cis170.8152-10.300000113.5
625A33.2Very low33.4Very low96 Ų96123.4 Ų123.479%0.79381%0.813SS**  trans62133.8178.600000116.1
626M33.2Very low33.4Very low194 Ų194123.9 Ų123.996%0.95681%0.813SS**  cis68124.546.1-58.2-178.494.500113.9
627G33.4Very low33.3Very low69 Ų69122.5 Ų122.571%0.71181%0.809SS**  cis160.3164.9-8.700000113.4
628S36Very low33.3Very low121 Ų121123.2 Ų123.285%0.84681%0.806SS**  trans64.3164.4164.8-79.40000119.2
629S34Very low33.3Very low108 Ų108126 Ų12676%0.75580%0.803SS**  cis-175133-30-89.70000109.6
630S34.4Very low33.3Very low122 Ų122122.1 Ų122.185%0.85379%0.793SS**  trans-161.8138157.658.20000112.9
631N31.4Very low33.2Very low162 Ų162124.8 Ų124.887%0.86679%0.788SS**  trans-74.2147.5-177.5-54.2-38000112.9
632T34Very low33.2Very low142 Ų142129.9 Ų129.987%0.87180%0.797SS**  trans-151.5148.2138.4-67.30000107.7
633A30.2Very low33.2Very low104 Ų104133.6 Ų133.686%0.8680%0.8SS**  trans-80.3145.1-177.300000112.7
634G33.4Very low33Very low68 Ų68134.1 Ų134.170%0.70180%0.796SS**  trans165.4111.1170.400000113.6
635N31.1Very low32.9Very low171 Ų171140.7 Ų140.791%0.91480%0.8SS**  trans-80.5125.1162.1-100-1.8000108.7
636P36.8Very low32.6Very low114 Ų114146.5 Ų146.574%0.7480%0.802SS**  -123.8127.6119.234.2-28.3000108.9
637M33.9Very low32.4Very low159 Ų159143 Ų14378%0.78379%0.791SS**  66.7121.664.3-147.4-172.8-163.500113.5
638F37.4Very low32.1Very low171 Ų171145 Ų14575%0.7579%0.789SS**  trans82.2127.6166.8-86.6-67.6000122.9
639L33.5Very low31.9Very low131 Ų131143.6 Ų143.669%0.68678%0.779SS**  trans77105.7139.1-151.275.1000119.8Q641L639-Q641 HydrophobicContact CD2-CG 4.46Å; L639-Q641 HydrophobicContact CG-CG 4.36Å
640N31.9Very low31.8Very low126 Ų126148.2 Ų148.267%0.67479%0.786SS**  -128.3150.4129-153.2-13.3000109.4
641Q31.7Very low31.6Very low157 Ų157147.7 Ų147.773%0.73478%0.778SS**PPolyproline II helixtrans-87.7120.2-151.4-63.5172-10.400114L639L639-Q641 HydrophobicContact CD2-CG 4.46Å; L639-Q641 HydrophobicContact CG-CG 4.36Å
642Q34Very low31.7Very low190 Ų190147.4 Ų147.489%0.88878%0.776SS**PPolyproline II helixtrans-75.4129.3154.4-78.4-174.4-22.400109.6I644Q642-I644 PolarHBondContact O-N 3.33Å
643K30.9Very low31.3Very low183 Ų183145.5 Ų145.580%0.79677%0.768SS**PPolyproline II helixtrans-71.4123.7170.9-76.8-179.8175.7176.20109.6Y645K643-Y645 WeakPolarHBondContact O-CD2 3.4Å; K643-Y645 PolarHBondContact O-N 3.02Å; K643-Y645 VanDerWaalsContact O-N 3.07Å
644I28.4Very low31.6Very low159 Ų159146.1 Ų146.182%0.81576%0.761SS**  trans-65.6106.8175-61.2166.5000109Q642 R646Q642-I644 PolarHBondContact O-N 3.33Å; I644-R646 PolarHBondContact O-N 2.84Å
645Y28.1Very low31.4Very low208 Ų208151.4 Ų151.482%0.81677%0.767SS**  trans-74.490.2168.5-83.6-89.9000109.6K643 V647K643-Y645 WeakPolarHBondContact O-CD2 3.4Å; K643-Y645 PolarHBondContact O-N 3.02Å; K643-Y645 VanDerWaalsContact O-N 3.07Å; Y645-V647 VanDerWaalsContact C-N 3.35Å; Y645-V647 PolarHBondContact O-N 3.38Å
646R26.8Very low31.6Very low218 Ų218148.3 Ų148.382%0.82376%0.756SS**  trans-76.282.9178.8-159-175.7-157.3-175.37.5110.2I644 V648I644-R646 PolarHBondContact O-N 2.84Å; R646-V648 HydrophobicContact CG-CG2 4.14Å; R646-V648 PolarHBondContact O-N 3.37Å
647V28.9Very low31.5Very low121 Ų121149.2 Ų149.273%0.73376%0.76SS**  trans-67.9100.3171.6179.90000108.7Y645 S649Y645-V647 VanDerWaalsContact C-N 3.35Å; Y645-V647 PolarHBondContact O-N 3.38Å; V647-S649 PolarHBondContact O-N 2.97Å; V647-S649 VanDerWaalsContact O-N 3.16Å
648V26.8Very low31.3Very low110 Ų110150.1 Ų150.167%0.66777%0.765SS**  trans-86.577.9177.4-176.10000109.4R646 K650R646-V648 HydrophobicContact CG-CG2 4.14Å; R646-V648 PolarHBondContact O-N 3.37Å; V648-K650 PolarHBondContact O-N 3.36Å
649S32.9Very low30.9Very low92 Ų92146.4 Ų146.464%0.64376%0.76SS**  trans-71.9106.7165.8-61.50000109.2V647 T651V647-S649 PolarHBondContact O-N 2.97Å; V647-S649 VanDerWaalsContact O-N 3.16Å; S649-T651 PolarHBondContact O-N 2.9Å
650K31Very low30.6Very low204 Ų204144.9 Ų144.989%0.88776%0.76SS**  trans-71.8107.3170.5-85.2-172.9173.5-178.10109.6V648V648-K650 PolarHBondContact O-N 3.36Å
651T30.6Very low30.6Very low112 Ų112144.7 Ų144.769%0.68777%0.769SS**  trans-81.9129.7174.350.40000112.2S649S649-T651 PolarHBondContact O-N 2.9Å
652N33.2Very low30.4Very low155 Ų155145 Ų14583%0.82977%0.774SS**  trans-136.6110.4136.6-81.1-29000103.5
653C25.8Very low30.3Very low103 Ų103144.7 Ų144.770%0.69677%0.773SS**  62.6122.375.5-59.70000110.7
654T36.1Very low30.5Very low117 Ų117143.9 Ų143.972%0.71878%0.778SS**  cis-148.413827.847.30000114.9
655E30.2Very low30.9Very low178 Ų178143.8 Ų143.883%0.83278%0.777SS**  trans54160.8132.6-61.9-165.2128.600123
656P34.7Very low31.1Very low106 Ų106139.6 Ų139.669%0.68878%0.775SS**  cis-138.5-174-44.139.2-22.9000113.4
657T34.2Very low31.4Very low133 Ų133137.2 Ų137.282%0.81678%0.779SS**  trans123.4138.7150.4-45.80000115.8
658M29.5Very low31.7Very low179 Ų179135 Ų13588%0.88278%0.781SS**  trans-84.9178.7178.4-54.9-102.6169.100109.9
659S28.8Very low31.9Very low92 Ų92137.3 Ų137.364%0.64379%0.789SS**  cis-162.7164.513-159.40000111.6
660S29.1Very low32Very low99 Ų99140.5 Ų140.569%0.69280%0.799SS**  trans13.5129.4147.357.60000120.9
661S30.7Very low32Very low123 Ų123140.7 Ų140.786%0.8680%0.796SS**  trans-13874.7162.5-74.10000113.3
662L28.8Very low32.2Very low162 Ų162139.8 Ų139.885%0.84880%0.8SS**  trans-140.9144.4152.5-82.5180000107.5
663Q31.4Very low32.1Very low185 Ų185141 Ų14186%0.86481%0.805SS**  trans68.2105.4-178.4-55172.2-19.200115.9
664N34Very low32.5Very low166 Ų166139.9 Ų139.989%0.88881%0.812SS**  -165.3145.9115.8-97.6-32.2000111.8
665I36.3Very low32.2Very low157 Ų157139.5 Ų139.581%0.80581%0.814SS**  trans-112.1134.2171.7-64.2174000106.5
666P33.3Very low32.4Very low119 Ų119138.3 Ų138.377%0.77381%0.813SS**  trans-75.6133.4-176.530.2-34.7000112.1
667N33.1Very low32.3Very low168 Ų168137.6 Ų137.690%0.89882%0.816SS**  trans-129.3124.9156-91.9-23.1000107.1
668G34.6Very low32.3Very low76 Ų76138.9 Ų138.978%0.78481%0.814SS**  trans-108.3149.4172.800000110.7
669D31.4Very low32.5Very low158 Ų158136.5 Ų136.585%0.84581%0.806SS**  trans-64.4150.2-171-58.8-83.4000114.7
670N34.2Very low32.6Very low158 Ų158136.6 Ų136.685%0.84581%0.806SS**  trans-146.7157.4144.4-136.5-31.2000111.6
671Y31.9Very low32.8Very low209 Ų209137.5 Ų137.582%0.8281%0.812SS**  trans-90.4160.8-155.5-69.7-103.2000115.5
672A35.3Very low32.7Very low93 Ų93135.5 Ų135.577%0.76981%0.811SS**  trans118.3135140.600000119.6
673L31.7Very low32.9Very low179 Ų179131.4 Ų131.494%0.93781%0.808SS**  trans-3.7140.7161.3-7660.8000120.5
674G32.4Very low32.9Very low81 Ų81127.3 Ų127.384%0.83581%0.806SS**  trans174.6108.515600000114.2
675S31.3Very low32.9Very low109 Ų109128 Ų12876%0.76280%0.804SS**  trans-98.2166.5-176.8-51.50000114
676N33.4Very low32.4Very low153 Ų153125.8 Ų125.882%0.81880%0.801SS**  trans81.591.7155.5-56.4-17.8000120.4
677A32.5Very low32.5Very low91 Ų91128 Ų12875%0.75280%0.804SS**  55.4149.8104.500000123.9
678M34.6Very low32.3Very low159 Ų159124.3 Ų124.378%0.78379%0.792SS**  trans99.6125.8153.1-52-158.279.600121.2
679N33Very low32.2Very low130 Ų130128.7 Ų128.770%0.69580%0.797SS**  trans67.8101.8134.5-73.418.3000124.3
680S31.4Very low32.1Very low94 Ų94126 Ų12666%0.65779%0.79SS**  58120.6111.572.10000123.5
681S32.5Very low32.1Very low117 Ų117124.6 Ų124.682%0.81879%0.79SS**  63.1130.4129.167.20000123.1
682G30.3Very low32.3Very low81 Ų81120.1 Ų120.184%0.83579%0.786SS**  trans143141.4146.800000116.5
683G31.7Very low32.1Very low76 Ų76124.5 Ų124.578%0.78479%0.793SS**  trans86.9132.8176.500000113.9
684A32.3Very low32.1Very low99 Ų99124.2 Ų124.282%0.81879%0.786SS**  cis63133.319.100000114
685Q32.6Very low31.8Very low181 Ų181127.9 Ų127.985%0.84678%0.784SS**  cis-138.8-171.922.6-64.4177-400114
686C27.5Very low31.6Very low110 Ų110129.3 Ų129.374%0.74378%0.782SS**  trans-13.9162.3152.4-54.50000118.2
687I34.6Very low31.3Very low165 Ų165129.3 Ų129.385%0.84678%0.782SS**  cis-152.5164.742.5-19.6178.2000113.3
688S28.7Very low31.1Very low92 Ų92128.5 Ų128.564%0.64378%0.783SS**  trans-62.6156.1176.855.90000116.4
689L32.2Very low31Very low168 Ų168128.3 Ų128.388%0.8878%0.783SS**  -173166.3109.8-99.6158.1000113.8
690S30.9Very low31Very low101 Ų101130 Ų13071%0.70679%0.791SS**PPolyproline II helixtrans-85.5160.5-169.4-52.20000114.2
691P32.5Very low30.8Very low129 Ų129130 Ų13084%0.83879%0.791SS**PPolyproline II helixtrans-82.9143.1-172.832.7-35.9000114.2
692P36.9Very low30.8Very low114 Ų114130.4 Ų130.474%0.7479%0.791SS**PPolyproline II helixtrans-96.9134.7168.934.9-30.2000112.8
693M30.2Very low30.8Very low186 Ų186131.3 Ų131.392%0.91678%0.781SS**  trans-94.798.2163.4-86.7-82.6-79.400109.7
694H32.3Very low30.6Very low172 Ų172135.9 Ų135.980%0.79679%0.785SS**  trans-137.4121.5165.2-91.4-104.1000107.4
695M27.3Very low30.4Very low158 Ų158134.2 Ų134.278%0.77878%0.778SS**  85.9128.260-82.4-71.2-166.900114.1
696L26.9Very low30Very low140 Ų140131.4 Ų131.473%0.73378%0.778SS**  trans78122.4155.7-67.5159.3000120.8
697N26.4Very low30.2Very low153 Ų153133.7 Ų133.782%0.81878%0.782SS**  trans66104136.5-63.9-3.4000121.4
698G29Very low29.9Very low74 Ų74133.2 Ų133.276%0.76378%0.781SS**  trans165.8150.2146.900000113.2
699I31Very low29.8Very low155 Ų155135.2 Ų135.280%0.79578%0.784SS**  cis-162.6149-22.3-137158.6000109.2
700L33.7Very low29.5Very low164 Ų164133.9 Ų133.986%0.85978%0.777SS**  trans66.4145.8167.3-66.8168.9000121.3
701S26.3Very low29.3Very low95 Ų95136.8 Ų136.866%0.66478%0.779SS**  trans-98.5176.9166.7-44.40000110.3T703S701-T703 WeakPolarHBondContact CB-OG1 3.44Å
702P34.3Very low29.3Very low126 Ų126136.1 Ų136.182%0.81877%0.773SS**  -135161.883.332.1-16.3000113.9
703T29Very low29Very low100 Ų100138 Ų13861%0.61378%0.776SS**  cis96.796.911.3-52.60000116.6S701S701-T703 WeakPolarHBondContact CB-OG1 3.44Å
704I27.7Very low29.1Very low171 Ų171133.5 Ų133.588%0.87776%0.762SS**  trans68.8144.9143.4-60.2172.2000119.9
705G27.8Very low28.9Very low65 Ų65133.7 Ų133.767%0.6776%0.76SS**  trans110119165.500000112.4
706S25.8Very low29Very low121 Ų121131.3 Ų131.385%0.84675%0.751SS**  cis52.8104.638-72.40000114.7
707I30.1Very low29.1Very low159 Ų159132.3 Ų132.382%0.81575%0.752SS**  trans-172.4125.4131.4-96.2151.7000109.3
708N29.3Very low29.3Very low155 Ų155131.2 Ų131.283%0.82975%0.751SS**  trans-84.8122.4150.6-73.6-21.9000106.1
709N27.4Very low29.2Very low134 Ų134132 Ų13272%0.71775%0.745SS**  trans170.8122.4141.1-89.4-21.4000114.8
710L25.5Very low29.2Very low140 Ų140129.5 Ų129.573%0.73374%0.737SS**  42.1123.6122.3-84.359.1000122.2
711H27Very low28.9Very low162 Ų162131.1 Ų131.175%0.7573%0.732SS**  86.1107.7126.7-83-51.8000124.1
712T31.6Very low29Very low114 Ų114135.9 Ų135.970%0.69974%0.735SS**  87.9161.3121.6-48.90000119.3
713I30.1Very low28.7Very low155 Ų155139.6 Ų139.680%0.79573%0.734SS**  trans85.4123.1175.7-53.6176.5000112.5
714S32.3Very low29.2Very low91 Ų91140.4 Ų140.464%0.63674%0.739SS**  cis-150.6142.82.1-133.80000114
715K29.2Very low29.9Very low175 Ų175137.1 Ų137.176%0.76173%0.728SS**  trans44.8130.5130.3-68.3-174.3-179.4-174.40123
716N28.2Very low30.1Very low109 Ų109140.2 Ų140.258%0.58373%0.73SS**  81.2127.5126.3-75.235.7000122
717E30Very low30.4Very low161 Ų161139.7 Ų139.775%0.75272%0.721SS**  69.2148.7129.3-66.6164.8160.400118.2
718T29.3Very low30.5Very low129 Ų129139.7 Ų139.779%0.79172%0.718SS**  cis-157.8158.3-7.8190000105.1
719S28.4Very low30.8Very low92 Ų92139.1 Ų139.164%0.64371%0.714SS**  cis174-175.3-4.1-177.10000105.8
720T30Very low30.9Very low101 Ų101137 Ų13762%0.6272%0.715SS**  trans61.3113.5153.344.20000122.1
721R28.4Very low31.7Very low199 Ų199136.2 Ų136.275%0.75172%0.718SS**  73.7152.8123.8-72.5172.4162.4169-5118.6
722R28.5Very low32.1Very low194 Ų194135.5 Ų135.573%0.73272%0.72SS**  cis-138.1149.50.2-103.4134.6-177.6165.3-3.9107.6
723Y26.8Very low32Very low204 Ų204140 Ų14080%0.873%0.725SS**  48.3110.485.5-96.2-106.6000113
724V40.6Very low32Very low118 Ų118135.7 Ų135.772%0.71572%0.719SS**  62.4139.173.9174.90000112
725P41.2Very low31.8Very low101 Ų101138.7 Ų138.766%0.65673%0.726SS**  cis-102.8-148.5-0.615.79.6000110.9
726D31.9Very low31.8Very low130 Ų130138.4 Ų138.470%0.69573%0.731SS**  cis-164171.931.9-79.3-62.1000107.6
727T33.6Very low31.9Very low110 Ų110137 Ų13768%0.67574%0.742SS**  cis-171169.4-17390000105.6
728E30.6Very low31.9Very low159 Ų159133.6 Ų133.674%0.74374%0.741SS**  cis-161.4178.3-7.4-124.7171.1177.200111.3
729I35.5Very low32.1Very low144 Ų144134 Ų13474%0.73874%0.739SS**  trans52.592.7153.3-62.3156.8000116.1
730A30.4Very low32.3Very low90 Ų90137.2 Ų137.274%0.74475%0.749SS**  84.1143.463.300000114.9
731P42.1Very low32.5Very low123 Ų123136 Ų13680%0.79976%0.757SS**  trans-97.9-179.9-175.841-37.1000112.8
732D34.8Very low32.6Very low147 Ų147130.4 Ų130.479%0.78676%0.76SS**  trans-141164.8162.8-151.82000114.2
733Y31.2Very low32.9Very low209 Ų209128 Ų12882%0.8277%0.767SS**  trans-79.9174.6-168.6-65.4-141.6000111.2
734G29.4Very low33Very low63 Ų63124.3 Ų124.365%0.64977%0.766SS**  cis137.8143.1-7.300000114.3
735I28.2Very low32.8Very low154 Ų154126.8 Ų126.879%0.7977%0.774SS**  trans71.2150.7156.1-26.5176.8000119
736I27.9Very low32.3Very low170 Ų170130.4 Ų130.487%0.87278%0.782SS**  trans83.3131.3161.6-45.1-179.4000117.7
737G31Very low32.4Very low79 Ų79129.2 Ų129.281%0.81478%0.784SS**  trans161.761.2170.900000116
738A31.2Very low32.6Very low89 Ų89131.2 Ų131.274%0.73679%0.786SS**  trans-83.4173.8-165.200000117.6
739N32.6Very low32.9Very low139 Ų139131.7 Ų131.774%0.74379%0.787SS**  trans94.3108.1152.2-72.1-16.2000122.4
740N32.9Very low32.8Very low159 Ų159128.3 Ų128.385%0.8578%0.781SS**  44138.5111-71.3-15.2000122
741G33.1Very low33Very low76 Ų76130.7 Ų130.778%0.78479%0.786SS**  156.683.2126.900000120
742G30.6Very low32.8Very low80 Ų80129.9 Ų129.983%0.82578%0.781SS**  trans70.5178.5158.400000117
743V35Very low32.6Very low144 Ų144129 Ų12987%0.87378%0.781SS**  cis-136.2144.5-1.7174.20000109.7
744T30.1Very low32.6Very low126 Ų126123.6 Ų123.677%0.77377%0.773SS**  trans-85.7152.4176.445.70000113
745L34.6Very low32.5Very low171 Ų171125.4 Ų125.490%0.89578%0.776SS**  trans-146.9126.7155.2-117.4161.1000110.4
746Q31.6Very low32.7Very low177 Ų177124 Ų12483%0.82778%0.775SS**  trans-113.2150.7179.9-67.5176.2-45.400110.4
747S35.1Very low32.8Very low104 Ų104120.2 Ų120.273%0.72776%0.763SS**  trans178.6147.9154.136.10000109.6
748H37.6Very low32.9Very low153 Ų153123.7 Ų123.771%0.70876%0.763SS**  cis-162.2136.1-20.7-109.4-59.1000108.6
749H35.9Very low32.7Very low168 Ų168128.5 Ų128.578%0.77877%0.768SS**  trans57.4165.9155.1-64.7-66.1000120.6
750A33.8Very low32.8Very low74 Ų74133.9 Ų133.961%0.61278%0.778SS**  cis-169.5145.2-39.600000111.7
751V34.6Very low33Very low139 Ų139134.6 Ų134.684%0.84278%0.776SS**  trans70.2143.7147.4169.70000118.7
752P38.5Very low33.4Very low107 Ų107135.6 Ų135.670%0.69577%0.768SS**  trans-108.4-172.2-178.241.9-33000112.9
753V30.8Very low33.6Very low129 Ų129138.9 Ų138.978%0.78276%0.762SS**  trans170.1132.7132150.10000114.4
754S29.5Very low33.6Very low94 Ų94141.4 Ų141.466%0.65776%0.757SS**  trans45.4126.4153.675.20000126.2
755S28.1Very low34Very low102 Ų102141.4 Ų141.471%0.71375%0.752SS**  82152.6121.466.10000124.8
756T32.5Very low34Very low125 Ų125140 Ų14077%0.76774%0.743SS**  trans76.197.5158.225.90000121.6
757S29Very low34.2Very low89 Ų89137 Ų13762%0.62274%0.736SS**  trans19.8129.4131.858.90000121.4
758N33.1Very low34.2Very low153 Ų153138.2 Ų138.282%0.81874%0.74SS**  -172.7169.498.8-102.8-50000115.5
759F26.9Very low34.1Very low190 Ų190135.3 Ų135.383%0.83374%0.742SS**  trans-72.7156.4179.8-71.9-107.5000114.9
760R34.8Very low33.9Very low252 Ų252134.9 Ų134.995%0.95175%0.745SS**  -173.8161.8120.2-100.2163.5-170.4-1480.8114.5
761H37.1Very low34.2Very low174 Ų174137.4 Ų137.481%0.80676%0.756SS**  trans-117.6165.8-178.6-124.9-62.1000110.8
762P42Very low34.1Very low97 Ų97137.2 Ų137.263%0.6376%0.755SS**  -130.3158.5108.15.418000112.6
763E34.9Very low33.9Very low148 Ų148138.1 Ų138.169%0.69276%0.758SS**  74138.866.1-56.9-162.9124.800114.8
764Y35.4Very low34.2Very low197 Ų197139.9 Ų139.977%0.77376%0.758SS**  cis-150.912945.7-86.7-102.9000117.8
765L37.3Very low34.3Very low126 Ų126140.6 Ų140.666%0.6676%0.763SS**  49.9153.1120.4-88.8173000129.8
766M36.6Very low34.6Very low143 Ų143139.6 Ų139.670%0.70477%0.769SS**  trans79.1108.3160.3-65.7-50.3174.600120.8
767T35.3Very low34.8Very low112 Ų112139.7 Ų139.769%0.68778%0.775SS**  81.7154.272.757.20000115.2
768T35.4Very low35Very low131 Ų131140.5 Ų140.580%0.80478%0.78SS**  cis-172.6171.1-2.221.10000108.3
769A34.7Very low35.2Very low92 Ų92137.1 Ų137.176%0.7677%0.768SS**  cis-169.4-176.4-12.300000111.2
770N32.7Very low35.7Very low158 Ų158136 Ų13685%0.84577%0.765SS**  trans-100.1165.4-176.9-71.10.1000116
771P38.4Very low35.8Very low127 Ų127129.5 Ų129.583%0.82575%0.749SS**  trans-138-168136.337.3-21.8000116
772V32.4Very low35.7Very low136 Ų136130.6 Ų130.682%0.82475%0.747SS**  trans-141.2152.6-154.8170.60000114.4
773T35.8Very low35.3Very low125 Ų125131.6 Ų131.677%0.76775%0.751SS**  trans176.3164156.519.60000111.1
774Q36.2Very low35.2Very low167 Ų167131.2 Ų131.278%0.7875%0.754SS**  cis-161.6147.9-36.1-137.8178.267.900113.2
775S32.8Very low35.2Very low108 Ų108128.7 Ų128.776%0.75576%0.76SS**  trans33.4137.8149.762.20000126.2
776G34.3Very low35.1Very low82 Ų82128.2 Ų128.285%0.84577%0.767SS**  trans169.998.5152.300000120.2
777S36.7Very low35.1Very low127 Ų127127 Ų12789%0.88877%0.772SS**  trans-41.8171167.6-59.10000119.4
778S33.3Very low35.2Very low105 Ų105126.7 Ų126.773%0.73478%0.781SS**  cis179148.8-19.1-174.80000108.1
779S36.7Very low35.3Very low82 Ų82124.3 Ų124.357%0.57378%0.782SS**  148.2163.589.457.50000113.9
780H37Very low35.4Very low166 Ų166124.3 Ų124.377%0.76978%0.782SS**  trans70.6149.4151.8-62.5-41.6000120.9
781I36.5Very low35.4Very low117 Ų117124.5 Ų124.560%0.678%0.784SS**  cis-163.6152.4-3.9-122170000114.6
782Y35.9Very low35.3Very low196 Ų196124 Ų12477%0.76978%0.783SS**  trans33.9162.1156.9-56.1-47.5000123.6
783T34.1Very low35.6Very low118 Ų118122.1 Ų122.172%0.72478%0.776SS**  cis-164.4154.7-9.3190000106.9
784N31.6Very low35.7Very low140 Ų140123.4 Ų123.475%0.74978%0.778SS**  cis95.210013.8-169.433.2000118.1
785T35.1Very low35.5Very low145 Ų145126.7 Ų126.789%0.8978%0.783SS**  trans-153.7154.2165.841.30000112.1
786S35.7Very low35.6Very low115 Ų115130 Ų13080%0.80479%0.79SS**  trans-156.6154.8-167.755.20000117
787S36.3Very low35.4Very low117 Ų117130.5 Ų130.582%0.81878%0.781SS**  trans178.9157.8158.8480000110
788A38Very low35.2Very low107 Ų107132 Ų13288%0.88478%0.778SS**  cis112.5117.8-10.300000118
789G36.5Very low35.1Very low80 Ų80131.3 Ų131.383%0.82577%0.774SS**  trans157.190.4161.800000121.5
790A36.7Very low34.7Very low92 Ų92135 Ų13576%0.7679%0.787SS**  trans52.5119.8135.400000126.7
791N34.5Very low34.6Very low163 Ų163134 Ų13487%0.87279%0.792SS**  47.3131.1121.5-59.1-5000125.3
792S36.3Very low34.3Very low116 Ų116133.9 Ų133.981%0.81180%0.802SS**  162.2151.7128.3-168.80000110.4
793S37.1Very low34.6Very low97 Ų97130.1 Ų130.168%0.67880%0.801SS**  cis175.6169.6-31.8-83.20000107.1
794N37.7Very low34.9Very low152 Ų152129.9 Ų129.981%0.81380%0.802SS**  trans83.3113.5178.7-49.1-39.7000115.9
795R31.9Very low35Very low236 Ų236131.2 Ų131.289%0.89181%0.809SS**  72.4108.361.8-83.8-160.7175.5-153.62.5115.6
796I36.7Very low35.3Very low176 Ų176129.8 Ų129.890%0.90380%0.801SS**  178.8165121.2-91.4159.5000109.5
797S28.6Very low35.3Very low93 Ų93128.5 Ų128.565%0.6580%0.797SS**  trans-109.3158.8-166.953.70000115
798L33.5Very low35.1Very low158 Ų158132.5 Ų132.583%0.82781%0.805SS**  trans136.8123.7141.5-74.5158.6000115.6
799S30.4Very low35.1Very low92 Ų92139.4 Ų139.464%0.64381%0.808SS**  trans42.5132.814462.90000124.1
800N29.2Very low35Very low159 Ų159143.7 Ų143.785%0.8580%0.804SS**  trans56.1100.9141.9-60.76.4000120.3
801V33.9Very low34.7Very low144 Ų144144.4 Ų144.487%0.87379%0.792SS**  trans-143136.9154.1-177.40000110.6
802S30.7Very low34.5Very low115 Ų115146.1 Ų146.180%0.80479%0.786SS**  trans-101146.7173.1-48.40000111.9
803P42.4Very low34.3Very low117 Ų117150.8 Ų150.876%0.7679%0.792SS**  trans-119166.4168.941-31.2000113.1
804P41Very low34.1Very low114 Ų114154.1 Ų154.174%0.7480%0.801SS**  cis-133.7156.7-49.637.3-23.1000112.4
805N32.5Very low33.8Very low167 Ų167150 Ų15089%0.89380%0.795SS**  trans-106.7128.5173.2-164.8-7000110.5
806T41.1Very low33.9Very low116 Ų116144.9 Ų144.971%0.71280%0.796SS**  trans-115.6107.3-162.5-55.10000113.9
807A36.7Very low33.8Very low88 Ų88140.2 Ų140.273%0.72778%0.783SS**  trans46.1111.3151.200000120.6
808M32.1Very low34Very low201 Ų201141.9 Ų141.999%0.9980%0.795SS**  trans-106.1134131.3-87.7-160.9165.900109.5
809R37.5Very low34Very low251 Ų251137.7 Ų137.795%0.94779%0.789SS**  trans-116.3139.8170.6-168.9169.9-177.8155.71.2110
810K33.6Very low34.4Very low171 Ų171139.1 Ų139.174%0.74380%0.797SS**  trans-100.4163.7-168.8-172.4-175.2-179.8-108.80111.6
811E30.8Very low34.5Very low106 Ų106139 Ų13950%0.49579%0.791SS.*  trans116.6126.7151.6-66.2-76.9110.200117.2
812R30.6Very low34.5Very low199 Ų199139 Ų13975%0.75178%0.781SS**  trans73.5105.4148-64.3160.7-155.9-152.2-0120
813F32.6Very low34.5Very low214 Ų214141.2 Ų141.294%0.93978%0.779SS**  -125158.2126.5-118.8-95.4000109.6
814L32.6Very low34.1Very low167 Ų167141 Ų14187%0.87478%0.777SS**  trans-127.6149.6-176.9-84.4162.3000110.5
815G32.3Very low34.3Very low67 Ų67141.2 Ų141.269%0.69178%0.779SS**  trans118.3107.5-179.300000111.2
816S33.9Very low34.4Very low128 Ų128139.4 Ų139.490%0.89577%0.773SS**  84.2123.563.4-173.50000111.4
817A33.6Very low33.9Very low78 Ų78140.7 Ų140.765%0.64577%0.771SS**  cis-159.9167.2-1.300000112.3
818S33.9Very low33.8Very low128 Ų128147.4 Ų147.490%0.89578%0.778SS**  trans58.8150158.8550000119.5
819G32.4Very low33.7Very low69 Ų69140.9 Ų140.971%0.71176%0.762SS**  cis-169.1165.7-3.900000111.1
820P38.6Very low33.5Very low122 Ų122136.9 Ų136.979%0.79276%0.759SS**  trans-120.2170.3-157.341.7-31.8000116.1
821Q32Very low33.4Very low157 Ų157137.5 Ų137.573%0.73476%0.764SS**  trans176.2136.6130.3-96.8175.6-1.600114.6
822Q33.3Very low33.4Very low143 Ų143138.1 Ų138.167%0.66878%0.78SS**  trans53.8153.3131.1-57.3175.98.100121.9
823H30.9Very low33.4Very low163 Ų163139 Ų13976%0.75579%0.785SS**  cis-160.8156.7-16.2-107.6-52.4000109.9
824P34.9Very low33.4Very low111 Ų111131.8 Ų131.872%0.72177%0.77SS**  trans-114.4-163.2175.342.6-33.1000112.9
825P43.7Very low33.4Very low119 Ų119132 Ų13277%0.77377%0.767SS**  cis-124.3-165.5-46.736.3-18.1000112
826V34.2Very low33.4Very low129 Ų129134 Ų13478%0.78277%0.765SS**  trans-173.9129.9146.9135.20000118
827Q31.6Very low33.3Very low143 Ų143137.5 Ų137.567%0.66876%0.764SS**  trans18.8159.3148.3-48.5179.2-8.200128.8
828R33.8Very low33.1Very low230 Ų230142.4 Ų142.487%0.86877%0.774SS**  trans93.9143.7150.2-48.9-170.2-173.9179.12118.2
829G30.3Very low32.9Very low64 Ų64147 Ų14766%0.6677%0.773SS**  cis170.2164.2-9.900000115.1
830L33.9Very low32.9Very low166 Ų166148.9 Ų148.987%0.86978%0.775SS**  trans67.8165.7175-68.476.4000117.5
831H31.5Very low32.8Very low185 Ų185148.3 Ų148.386%0.85677%0.772SS**  cis149.9119.4-42.9-90.3-19000111.8
832S30.9Very low32.8Very low118 Ų118149 Ų14983%0.82578%0.779SS**  trans166.3174.8148.7-166.10000110.9
833Y29.4Very low32.6Very low219 Ų219151 Ų15186%0.85979%0.791SS**  -161.6157.6-86.9-136.7-88.4000110
834G34Very low32.8Very low61 Ų61148.8 Ų148.863%0.62979%0.791SS**  trans116.4128.1175.200000113.3
835Q33.2Very low32.4Very low172 Ų172150 Ų15080%0.80480%0.797SS**  cis69.3132.840.8-61.7-161.8-19.700114.2
836T30.9Very low31.9Very low108 Ų108150.4 Ų150.466%0.66380%0.802SS**  cis-170.3154.2-10.427.10000109.1
837K32.6Very low31.5Very low202 Ų202151 Ų15188%0.87881%0.806SS**  168.8165.8124.3-92.3167.6-176.8179.20113.2
838H28.3Very low31.4Very low182 Ų182149.8 Ų149.884%0.84381%0.814SS**  trans-87.8153.9-176.2-62.1-114.5000112.7
839Y31.3Very low31.3Very low225 Ų225143.3 Ų143.388%0.88280%0.804SS**  -162.6154124.6-118.7-83.4000110.2
840S32.5Very low31.4Very low108 Ų108144.6 Ų144.676%0.75580%0.803SS**  trans-130.2145.2167.2-56.70000108.7
841P35Very low31.5Very low110 Ų110143.4 Ų143.471%0.71480%0.797SS**  trans-146148.5132.435.6-20000115.7
842L31.9Very low31.7Very low171 Ų171141.4 Ų141.490%0.89579%0.793SS**  trans50.2128.1138.3-60.8168000121.6
843M30.1Very low31.7Very low184 Ų184140.7 Ų140.791%0.90679%0.788SS**  trans-73.4147.3164.9-70.1-84-169.100112.6
844P34.1Very low32Very low118 Ų118137 Ų13777%0.76679%0.787SS**  trans-105.5140.4146.434.8-27.4000111.4
845T27.6Very low32.1Very low137 Ų137139.5 Ų139.584%0.8479%0.794SS**  trans-78.2131.9170.249.30000111.2
846S32.3Very low31.9Very low127 Ų127139.3 Ų139.389%0.88880%0.799SS**  trans-160.3150.9157.1-890000112.6
847T27.2Very low32.1Very low141 Ų141139.5 Ų139.587%0.86581%0.805SS**  trans-90.9137179.949.30000111.8
848S29.8Very low32Very low118 Ų118138.2 Ų138.283%0.82581%0.806SS**  trans-163.2168.7134.7-1520000112
849S30.7Very low32.3Very low93 Ų93135.1 Ų135.165%0.6581%0.805SS**  trans-66.4165.917359.30000113.3
850S33.2Very low32.4Very low92 Ų92129.4 Ų129.464%0.64380%0.798SS**  173.9169.997.3-76.70000111.6
851N34.8Very low32.6Very low140 Ų140130.8 Ų130.875%0.74980%0.797SS**  trans72.6145.2160.7-72.939.2000117.9
852D37Very low32.7Very low144 Ų144132.5 Ų132.577%0.7780%0.801SS**  cis-134.3159.34.1-83-53.2000112.3
853S30.7Very low32.7Very low102 Ų102127.6 Ų127.671%0.71379%0.791SS**  trans-104.3157.2156.3630000109.9
854V35.4Very low32.9Very low141 Ų141128 Ų12886%0.85580%0.796SS**  trans-174.2161.2141.2-97.80000112
855C35.1Very low32.7Very low115 Ų115126 Ų12678%0.77780%0.798SS**  trans98.859.4159.3-60.40000118.7
856D29.7Very low32.9Very low167 Ų167124.6 Ų124.689%0.89379%0.793SS**  trans-119.4122.8133-101.6-48.6000107.8
857S35.3Very low32.9Very low113 Ų113123 Ų12379%0.7978%0.782SS**  trans-166.299.9-178.8-75.30000111.7
858L30Very low33.2Very low174 Ų174124.1 Ų124.191%0.91178%0.781SS**  trans-137.691.1170.9-76.8177.5000110.9
859S34.1Very low33.3Very low118 Ų118124.6 Ų124.683%0.82578%0.779SS**  trans-165.1113.6152-85.90000112.8
860S34.2Very low33.5Very low105 Ų105124.4 Ų124.473%0.73478%0.782SS**  trans12.8135.6148.556.70000121.4
861N36.4Very low33.4Very low136 Ų136127.4 Ų127.473%0.72779%0.791SS**  -157.8152.9103.3-128.9-19.3000117
862N38Very low33.5Very low147 Ų147126.6 Ų126.679%0.78680%0.796SS**  trans50.9128.7153.6-66.1-32.1000123.5
863G30.4Very low33.4Very low68 Ų68123.2 Ų123.270%0.70180%0.796SS**  trans151.783.1131.200000121.1
864L34.2Very low33.5Very low191 Ų191125.4 Ų125.4100%180%0.8SS**  trans66163.1151.4-55.5166.1000119.2
865G31.5Very low33.5Very low78 Ų78124 Ų12480%0.80480%0.796SS**  trans147.7-14.3151.700000122.5
866S31.7Very low33.5Very low106 Ų106122.2 Ų122.274%0.74180%0.797SS**  trans11.6118.2174.6-154.10000122.1
867S31.6Very low33.7Very low94 Ų94122.2 Ų122.266%0.65780%0.797SS**  trans53.6136134.368.40000123.4
868I32.8Very low33.7Very low165 Ų165123.7 Ų123.785%0.84680%0.801SS**  -175.2155.2107.8-97.9164.5000113.5
869V32.7Very low33.8Very low128 Ų128120 Ų12078%0.77680%0.795SS**  trans-70.8162.8-168.6-700000117.5
870A34.5Very low33.8Very low88 Ų88123.2 Ų123.273%0.72780%0.797SS**  161.2122.7102.700000118.1
871N32.4Very low33.7Very low155 Ų155126.4 Ų126.483%0.82980%0.8SS**  trans64.4141.2136.3-82.61.8000127
872S36.9Very low33.4Very low123 Ų123128.2 Ų128.286%0.8681%0.809SS**  trans73.2137.7151.870.40000119.4
873G33.3Very low32.9Very low74 Ų74125.7 Ų125.776%0.76380%0.803SS**  cis171.2-178.7-900000115.4
874N34.2Very low33Very low148 Ų148127 Ų12779%0.79181%0.807SS**  trans8091.1164.5-153.145.3000120.7
875S34Very low32.7Very low112 Ų112128.9 Ų128.978%0.78380%0.801SS**  45.8123.9121.4-42.90000121.8
876G35.5Very low32.7Very low77 Ų77132.6 Ų132.679%0.79480%0.802SS**  trans-164.987.716400000112.9
877N34.1Very low32.6Very low167 Ų167132.5 Ų132.589%0.89380%0.798SS**  trans-79.9125-178.4-76.6-23.4000112.7
878V35.1Very low32.6Very low144 Ų144134.6 Ų134.687%0.87380%0.801SS**  trans-139.1124.2142.4-176.70000107.8
879A31.9Very low32.5Very low95 Ų95133.8 Ų133.879%0.78580%0.799SS**  trans-122.7127.8175.800000109.7
880Q33.7Very low32.4Very low186 Ų186138.1 Ų138.187%0.86980%0.803SS**  trans-149.786.7167.3-116.9170.29.900112
881H32.6Very low32.3Very low172 Ų172138.7 Ų138.780%0.79681%0.807SS**  trans23.8110.6134.5-138.9-83.4000118.4
882L31.2Very low32Very low175 Ų175137.6 Ų137.692%0.91680%0.801SS**  trans-149.4132.1148.1-113.2171.1000109.6
883S26.9Very low31.7Very low94 Ų94139.5 Ų139.566%0.65780%0.799SS**  trans-138.4105.9-169.9-51.80000111.5
884A32.2Very low31.5Very low95 Ų95140.4 Ų140.479%0.78579%0.794SS**  trans-150118.6163.400000106.6
885R27.8Very low31.5Very low230 Ų230138.3 Ų138.387%0.86879%0.791SS**  cis68.281.642.8-157.4-174.7-164.6179.46.6112.1
886N31.9Very low31.5Very low157 Ų157142.5 Ų142.584%0.8480%0.798SS**  trans-129.986.9162.2-104.1-13000109.2
887T29.3Very low31.1Very low104 Ų104146.3 Ų146.364%0.63880%0.801SS**  trans-84.8121.3163.941.90000108.4
888N32Very low31.2Very low137 Ų137144.7 Ų144.773%0.73380%0.802SS**  trans-11588.5169.4-86.6-13.6000109.3
889D29.7Very low30.8Very low149 Ų149143.1 Ų143.180%0.79780%0.798SS**  trans-67.8139.6161.1-62-72.2000109.4
890Y30.8Very low30.8Very low219 Ų219146.9 Ų146.986%0.85980%0.804SS**  trans-128.1116.1166.1-99.6-82.8000110.4
891A32.3Very low30.8Very low100 Ų100143 Ų14383%0.82680%0.797SS**  trans-76.8155.8179.500000112.2
892L25.9Very low30.7Very low131 Ų131140.6 Ų140.669%0.68680%0.797SS**  trans-103.3115.4-169.8-173.5169.7000110.6
893I31.5Very low30.7Very low163 Ų163140.6 Ų140.684%0.83679%0.791SS**  trans-133.3120.4169.9-65.1-175.4000111.3
894S29.5Very low30.9Very low94 Ų94144 Ų14466%0.65780%0.801SS**  trans-79.9161.416550.60000111.4
895S34.2Very low30.8Very low103 Ų103142.9 Ų142.972%0.7280%0.799SS**  cis-176.6164.8-8.347.20000107.6
896Q34.1Very low31Very low200 Ų200137.9 Ų137.994%0.93580%0.797SS**  trans-156.5151.8155.3-121.2161.579.300112.7
897N26.8Very low31.1Very low158 Ų158136.7 Ų136.785%0.84580%0.795SS**  trans-89.1152.9-170.3-76.2-25.3000113.2
898S35Very low31.2Very low132 Ų132137.2 Ų137.292%0.92380%0.802SS**  trans-151.8129.2146-78.50000109.3
899S28.4Very low31.1Very low111 Ų111138.3 Ų138.378%0.77681%0.808SS**  trans-98.6149.3-174.253.30000112.3
900L32.1Very low31.1Very low175 Ų175139.6 Ų139.692%0.91681%0.809SS**  trans-162.1157.1144.1-107.5162.4000111.9
901S32Very low31Very low105 Ų105135.1 Ų135.173%0.73480%0.804SS**  trans-77158.7-155.9-48.10000116.9
902P31Very low30.9Very low120 Ų120136.6 Ų136.678%0.77980%0.802SS**  trans-90.8159.3173.537.1-35.2000113.6
903H31.6Very low31Very low175 Ų175136.9 Ų136.981%0.8181%0.81SS**  trans-148.9123.2167.5-118.6-80.2000113.1
904L32Very low31Very low165 Ų165132.9 Ų132.986%0.86480%0.801SS**  trans48128.5152.7-63.5169000122.3
905G29.1Very low31.2Very low72 Ų72135 Ų13574%0.74281%0.81SS**  trans136.89114200000117.6
906P31.8Very low31.2Very low125 Ų125135.8 Ų135.881%0.81281%0.811SS**  trans-113.5121.8173.435.6-23.6000113.8
907T34.5Very low31.2Very low133 Ų133134.6 Ų134.682%0.81681%0.81SS**  trans-158.6141.2170.449.60000111.3
908C31.8Very low31.7Very low115 Ų115132.1 Ų132.178%0.77780%0.803SS**  cis-171.3144.2-41.740.70000108
909D28.5Very low31.5Very low159 Ų159131 Ų13185%0.8580%0.795SS**  trans-90.5161.2176.1-66.7-71.3000112.9
910E30.3Very low31.6Very low177 Ų177131.9 Ų131.983%0.82780%0.795SS**  trans50.1132.9156.9-68-156.7103.300124
911V28.9Very low31.4Very low125 Ų125128.5 Ų128.576%0.75879%0.786SS**  trans35.1121130.4-170.30000120.2
912V31.1Very low31.4Very low130 Ų130131.7 Ų131.779%0.78879%0.794SS**  trans-155.1154.3139.7138.60000110.4
913T26.8Very low31.3Very low137 Ų137130.5 Ų130.584%0.8479%0.789SS**  trans-145.3146.4165.9-68.40000109.5
914A31.3Very low31.2Very low79 Ų79128.4 Ų128.465%0.65379%0.792SS**  trans70.5154.2-173.800000113.4
915T34.8Very low31Very low138 Ų138124.3 Ų124.385%0.84779%0.79SS**  cis-136-176.938.2-19.10000115.5
916T32.5Very low31.3Very low121 Ų121124 Ų12474%0.74279%0.786SS**  trans-87.7159.8-166.252.70000116.9
917L35.2Very low31.3Very low174 Ų174125 Ų12591%0.91179%0.791SS**  trans-145.9158.4133.6-87.8-177.8000111
918P36.6Very low31.3Very low106 Ų106122.9 Ų122.969%0.68879%0.786SS**  trans-120.2166.4-163.541.7-31.6000116.5
919S32.2Very low31.4Very low108 Ų108122.3 Ų122.376%0.75578%0.784SS**  163.5153.4120.5-71.60000116.5
920V30.2Very low31.6Very low130 Ų130122.4 Ų122.479%0.78878%0.779SS**  trans49.896.6156.5-64.60000123.4
921S28.1Very low31.8Very low104 Ų104119.4 Ų119.473%0.72778%0.777SS**  16.4137.5121.659.60000122.9
922L30.7Very low32Very low172 Ų172118.8 Ų118.890%0.90177%0.774SS**  -163.4177.8119-105.2162.3000111.7
923S28.6Very low32Very low95 Ų95121.3 Ų121.366%0.66478%0.778SS**  trans-140.1180-149.959.60000117.2
924C29.7Very low32.4Very low132 Ų132124.5 Ų124.589%0.89278%0.775SS**  trans81.6149.1172.8-570000116.9
925G29.3Very low32.7Very low78 Ų78126.5 Ų126.580%0.80478%0.782SS**  cis167.1157.2-8.900000114.4
926G34Very low32.5Very low65 Ų65124.9 Ų124.967%0.6777%0.774SS**  trans103.9124.7174.100000114.6
927T31.4Very low32.4Very low147 Ų147124.8 Ų124.890%0.90278%0.778SS**  cis82.5133.644.366.30000113.9
928A35.5Very low32.3Very low88 Ų88126.7 Ų126.773%0.72778%0.779SS**  cis-156.4170.69.300000113.7
929S33.9Very low32Very low104 Ų104129.8 Ų129.873%0.72779%0.786SS**  trans55.1152.5154.9-73.20000122.7
930E33Very low32.1Very low161 Ų161130 Ų13075%0.75278%0.775SS**  cis-175.9142.1-18.9178.8158.6-171.400112.4
931S33.4Very low32.5Very low113 Ų113134.2 Ų134.279%0.7978%0.777SS**  trans66148.9168.277.60000117.4
932T33.2Very low33Very low112 Ų112135.9 Ų135.969%0.68778%0.777SS**  cis-148.4146.212.3-54.60000112.5
933E32.7Very low33.5Very low184 Ų184136.5 Ų136.586%0.8677%0.768SS**  trans64.2163.2161.5-78.8174.2134.400122.5
934Y34.4Very low35Very low203 Ų203133.9 Ų133.980%0.79675%0.747SS**  trans-145.8154.5-155.8-107.8-89.2000111.4P936Y934-P936 HydrophobicContact CD1-CB 4.16Å; Y934-P936 HydrophobicContact CE1-CB 4.08Å
935P37Very low36.7Very low121 Ų121131.6 Ų131.679%0.78673%0.728SS**  -132.7164.681.812.610.9000115.1
936P31.4Very low38.6Very low104 Ų104132.5 Ų132.568%0.67571%0.714SS**  trans-85.7144.3-155.631.8-37000116.7Y934Y934-P936 HydrophobicContact CD1-CB 4.16Å; Y934-P936 HydrophobicContact CE1-CB 4.08Å
937S29.6Very low40.6Very low119 Ų119132.7 Ų132.783%0.83270%0.698SS**  trans-81.5153.4172.1-81.60000113.9M939S937-M939 PolarHBondContact O-N 3.23Å
938K32.8Very low42.7Very low214 Ų214128.2 Ų128.293%0.9367%0.668SS**  trans-81.381.1-168.2-66.5173.2-179.6169.40114
939M31Very low44.6Very low172 Ų172130.3 Ų130.385%0.84766%0.661SS**  trans-119.289.4167.6-72.7-177.768.300111.8S937S937-M939 PolarHBondContact O-N 3.23Å
940H34.7Very low46.9Very low111 Ų111131.2 Ų131.251%0.51465%0.648SS.*  trans-154.8-24.4170.6-121.573.8000118.5N942 R943H940-N942 VanDerWaalsContact C-N 3.29Å; H940-N942 PolarHBondContact O-N 2.8Å; H940-R943 WeakPolarHBondContact O-CB 2.96Å; H940-R943 PolarHBondContact O-N 3.46Å
941R38.3Very low49.2Very low220 Ų220124.9 Ų124.983%0.8362%0.62SS**Hα-helixtrans-53.3-35.4-167.8-83-175.5168.4179.6-5.6115.8R943R941-R943 VanDerWaalsContact C-N 3.31Å; R941-R943 PolarHBondContact O-N 2.58Å
942N38.8Very low51.6Low138 Ų138119.7 Ų119.774%0.73858%0.583SS**Hα-helixtrans-75.5-13.6178-82.3-4.2000114.6H940 N946H940-N942 VanDerWaalsContact C-N 3.29Å; H940-N942 PolarHBondContact O-N 2.8Å; N942-N946 PolarHBondContact O-ND2 3.41Å
943R41.5Very low53.9Low185 Ų185118.5 Ų118.570%0.69858%0.579SS**Hα-helixtrans-81.4-40.2175-134.9179.3-167.5-171.13.7111.1H940 R941 N946 Q947H940-R943 WeakPolarHBondContact O-CB 2.96Å; H940-R943 PolarHBondContact O-N 3.46Å; R941-R943 VanDerWaalsContact C-N 3.31Å; R941-R943 PolarHBondContact O-N 2.58Å; R943-N946 PolarHBondContact O-N 2.92Å; R943-Q947 PolarHBondContact O-N 2.97Å; R943-Q947 VanDerWaalsContact O-N 3.16Å
944D60.1Low56.2Low41 Ų41114 Ų11422%0.21956%0.564CS.*Hα-helixtrans-57.8-52.4179.1-69.1-38.6000112.6N946 Q947 I948 K1013D944-N946 VanDerWaalsContact C-N 3.31Å; D944-N946 PolarHBondContact O-N 3.11Å; D944-Q947 WeakPolarHBondContact O-CB 3.5Å; D944-Q947 PolarHBondContact O-N 3.06Å; D944-I948 WeakPolarHBondContact O-CG1 3.43Å; D944-I948 PolarHBondContact O-N 3.04Å; D944-K1013 WeakPolarHBondContact OD1-CE 3.4Å; D944-K1013 IonicContact OD1-NZ 3.89Å; D944-K1013 PolarHBondContact OD1-NZ 3.38Å; D944-K1013 IonicContact OD2-NZ 2.86Å; D944-K1013 PolarHBondContact OD2-NZ 2.97Å
945V64.4Low58.5Low83 Ų83105.2 Ų105.250%0.50354%0.535SS..Hα-helixtrans-61.9-39.6-175.7-179.20000111.9Q947 K949V945-Q947 VanDerWaalsContact C-N 3.27Å; V945-Q947 PolarHBondContact O-N 3.15Å; V945-K949 PolarHBondContact O-N 2.86Å; V945-K949 VanDerWaalsContact O-N 3.12Å
946N70.4Confident60.7Low97 Ų97103.9 Ų103.952%0.51953%0.525SS..Hα-helixtrans-76.6-12177.5-72.2-56.2000113.5N942 R943 D944 R950N942-N946 PolarHBondContact O-ND2 3.41Å; R943-N946 PolarHBondContact O-N 2.92Å; D944-N946 VanDerWaalsContact C-N 3.31Å; D944-N946 PolarHBondContact O-N 3.11Å; N946-R950 VanDerWaalsContact O-CZ 3.23Å; N946-R950 PolarHBondContact O-NE 3.05Å; N946-R950 PolarHBondContact O-NH2 2.81Å
947Q75Confident63.4Low70 Ų7099.2 Ų99.233%0.32750%0.496SS..Hα-helixtrans-83.6-51.1168.5-1716442.200110R943 D944 V945 K949 R950 D951R943-Q947 PolarHBondContact O-N 2.97Å; R943-Q947 VanDerWaalsContact O-N 3.16Å; D944-Q947 WeakPolarHBondContact O-CB 3.5Å; D944-Q947 PolarHBondContact O-N 3.06Å; V945-Q947 VanDerWaalsContact C-N 3.27Å; V945-Q947 PolarHBondContact O-N 3.15Å; Q947-K949 VanDerWaalsContact C-N 3.32Å; Q947-K949 PolarHBondContact O-N 3.11Å; Q947-R950 WeakPolarHBondContact O-CA 3.42Å; Q947-R950 WeakPolarHBondContact O-CB 3.29Å; Q947-R950 PolarHBondContact O-N 3Å; Q947-R950 VanDerWaalsContact OE1-CZ 3.25Å; Q947-D951 PolarHBondContact NE2-OD1 2.98Å; Q947-D951 VanDerWaalsContact O-CG 3.28Å; Q947-D951 PolarHBondContact O-N 2.95Å
948I75Confident66.5Low52 Ų5299.3 Ų99.327%0.26748%0.477SS..Hα-helixtrans-53.8-46178.4-66164.7000111.6D944 R950 D951 L952 H1011D944-I948 WeakPolarHBondContact O-CG1 3.43Å; D944-I948 PolarHBondContact O-N 3.04Å; I948-R950 VanDerWaalsContact C-N 3.3Å; I948-R950 PolarHBondContact O-N 3.42Å; I948-D951 PolarHBondContact O-N 3.26Å; I948-L952 HydrophobicContact CG2-CD1 4.08Å; I948-L952 WeakPolarHBondContact O-CD1 3.46Å; I948-L952 PolarHBondContact O-N 3.3Å; I948-H1011 HydrophobicContact CD1-CB 4.31Å; I948-H1011 HydrophobicContact CG1-CB 4.36Å; I948-H1011 HydrophobicContact CG2-CB 4.45Å
949K77Confident69.4Low132 Ų13289.1 Ų89.157%0.57443%0.433SS*.Hα-helixtrans-61.1-35176.1-80.4-161.4169.4-168.40113.7V945 Q947 S953V945-K949 PolarHBondContact O-N 2.86Å; V945-K949 VanDerWaalsContact O-N 3.12Å; Q947-K949 VanDerWaalsContact C-N 3.32Å; Q947-K949 PolarHBondContact O-N 3.11Å; K949-S953 PolarHBondContact O-N 3.06Å; K949-S953 PolarHBondContact O-OG 3.41Å
950R81.2Confident72.5Confident123 Ų12385 Ų8546%0.46441%0.408SS..Hα-helixtrans-71.6-47.8175.2-87.5179.8-69.31103.5111N946 Q947 I948 L952 S953 T954N946-R950 VanDerWaalsContact O-CZ 3.23Å; N946-R950 PolarHBondContact O-NE 3.05Å; N946-R950 PolarHBondContact O-NH2 2.81Å; Q947-R950 WeakPolarHBondContact O-CA 3.42Å; Q947-R950 WeakPolarHBondContact O-CB 3.29Å; Q947-R950 PolarHBondContact O-N 3Å; Q947-R950 VanDerWaalsContact OE1-CZ 3.25Å; I948-R950 VanDerWaalsContact C-N 3.3Å; I948-R950 PolarHBondContact O-N 3.42Å; R950-L952 PolarHBondContact O-N 3.11Å; R950-S953 WeakPolarHBondContact CA-OG 3.4Å; R950-S953 CarbonylContact O-C 3.54Å; R950-S953 WeakPolarHBondContact O-CA 3.44Å; R950-S953 PolarHBondContact O-N 2.84Å; R950-S953 PolarHBondContact O-OG 3.47Å; R950-T954 PolarHBondContact O-N 3.43Å; R950-T954 PolarHBondContact O-OG1 3.47Å
951D82.3Confident75.4Confident29 Ų2979.7 Ų79.716%0.15538%0.384CS..Hα-helixtrans-61-32.5-177.6-58.8-17.9000112.4Q947 I948 T954 G955 T956 A957Q947-D951 PolarHBondContact NE2-OD1 2.98Å; Q947-D951 VanDerWaalsContact O-CG 3.28Å; Q947-D951 PolarHBondContact O-N 2.95Å; I948-D951 PolarHBondContact O-N 3.26Å; D951-T954 WeakPolarHBondContact CA-OG1 3.41Å; D951-T954 PolarHBondContact O-OG1 3.26Å; D951-G955 PolarHBondContact O-N 3.1Å; D951-T956 PolarHBondContact O-N 3.37Å; D951-T956 PolarHBondContact O-OG1 2.93Å; D951-A957 HydrophobicContact CB-CB 3.93Å; D951-A957 PolarHBondContact O-N 3.45Å
952L84Confident77.9Confident3 Ų372.8 Ų72.82%0.01636%0.363CS..Hα-helixtrans-73.8-36.7171.1-9476.1000112.7I948 R950 T954 G955 A957 R985 Y986 L993 H1011I948-L952 HydrophobicContact CG2-CD1 4.08Å; I948-L952 WeakPolarHBondContact O-CD1 3.46Å; I948-L952 PolarHBondContact O-N 3.3Å; R950-L952 PolarHBondContact O-N 3.11Å; L952-T954 VanDerWaalsContact C-N 3.34Å; L952-G955 PolarHBondContact O-N 3.41Å; L952-A957 HydrophobicContact CD1-CB 3.48Å; L952-A957 VanDerWaalsContact CD1-CB 3.48Å; L952-A957 HydrophobicContact CG-CB 4.22Å; L952-R985 WeakPolarHBondContact O-CA 3.32Å; L952-R985 WeakPolarHBondContact O-CB 3.37Å; L952-Y986 HydrophobicContact CB-CD2 4.04Å; L952-Y986 HydrophobicContact CB-CE2 3.62Å; L952-Y986 HydrophobicContact CD2-CD1 4.04Å; L952-Y986 HydrophobicContact CD2-CD2 4.26Å; L952-Y986 HydrophobicContact CD2-CE1 3.7Å; L952-Y986 HydrophobicContact CD2-CE2 3.93Å; L952-Y986 HydrophobicContact CD2-CG 4.31Å; L952-Y986 HydrophobicContact CG-CE2 4.43Å; L952-L993 HydrophobicContact CD2-CD2 3.75Å; L952-H1011 WeakPolarHBondContact CD1-CE1 3.16Å
953S81Confident80.5Confident87 Ų8772.7 Ų72.761%0.60835%0.353SS*.Hα-helixtrans-70.9-27.9177.5710000113.3K949 R950K949-S953 PolarHBondContact O-N 3.06Å; K949-S953 PolarHBondContact O-OG 3.41Å; R950-S953 WeakPolarHBondContact CA-OG 3.4Å; R950-S953 CarbonylContact O-C 3.54Å; R950-S953 WeakPolarHBondContact O-CA 3.44Å; R950-S953 PolarHBondContact O-N 2.84Å; R950-S953 PolarHBondContact O-OG 3.47Å
954T81.2Confident82.9Confident90 Ų9066.4 Ų66.455%0.55234%0.341SS*.THydrogen-bonded Turntrans-88.2-4.6173.349.40000113.1R950 D951 L952 T956R950-T954 PolarHBondContact O-N 3.43Å; R950-T954 PolarHBondContact O-OG1 3.47Å; D951-T954 WeakPolarHBondContact CA-OG1 3.41Å; D951-T954 PolarHBondContact O-OG1 3.26Å; L952-T954 VanDerWaalsContact C-N 3.34Å; T954-T956 PolarHBondContact O-N 3.37Å; T954-T956 PolarHBondContact OG1-OG1 2.91Å
955G81.8Confident84.4Confident18 Ų1865.6 Ų65.619%0.18634%0.338CS..THydrogen-bonded Turntrans63.722.4-176.200000113.9D951 L952 N983D951-G955 PolarHBondContact O-N 3.1Å; L952-G955 PolarHBondContact O-N 3.41Å; G955-N983 CarbonylContact O-C 3.58Å; G955-N983 VanDerWaalsContact O-C 3.29Å; G955-N983 WeakPolarHBondContact O-CA 3.45Å
956T84.1Confident85.7Confident94 Ų9469.6 Ų69.658%0.57735%0.353SS*.  trans-103.9-1-177.752.30000113.1D951 T954D951-T956 PolarHBondContact O-N 3.37Å; D951-T956 PolarHBondContact O-OG1 2.93Å; T954-T956 PolarHBondContact O-N 3.37Å; T954-T956 PolarHBondContact OG1-OG1 2.91Å
957A88.4Confident86.5Confident6 Ų666.1 Ų66.15%0.0534%0.34CS..EExtended strand (participates in β ladder)trans-65.9151.4178.200000112.5D951 L952 N983 V984D951-A957 HydrophobicContact CB-CB 3.93Å; D951-A957 PolarHBondContact O-N 3.45Å; L952-A957 HydrophobicContact CD1-CB 3.48Å; L952-A957 VanDerWaalsContact CD1-CB 3.48Å; L952-A957 HydrophobicContact CG-CB 4.22Å; A957-N983 PolarHBondContact O-N 3.44Å; A957-V984 HydrophobicContact CB-CB 4.16Å; A957-V984 PolarHBondContact O-N 2.88Å
958R93.3Very high86.9Confident120 Ų12072 Ų7245%0.45337%0.368SS..EExtended strand (participates in β ladder)trans-121.9145.7168.6-51.8-169.8-52.1165.66.3109.3I980 I981 T982 L1012R958-I980 HydrophobicContact CB-CG2 4.48Å; R958-I981 WeakPolarHBondContact CA-O 3.38Å; R958-T982 HydrophobicContact CG-CG2 4.25Å; R958-L1012 HydrophobicContact CB-CB 4.45Å; R958-L1012 HydrophobicContact CB-CD1 4.4Å; R958-L1012 PolarHBondContact O-N 3.03Å
959V94.7Very high87.4Confident0 Ų072.3 Ų72.30%038%0.375CS..EExtended strand (participates in β ladder)trans-131.3151.9175.9-540000111.2I980 I981 V984 V1009 E1010 H1011V959-I980 WeakPolarHBondContact O-CA 3.2Å; V959-I981 HydrophobicContact CG2-CB 3.94Å; V959-I981 HydrophobicContact CG2-CG1 4.49Å; V959-I981 PolarHBondContact N-O 3.02Å; V959-I981 PolarHBondContact O-N 3.35Å; V959-V984 HydrophobicContact CG1-CB 4.46Å; V959-V984 HydrophobicContact CG1-CG1 4.16Å; V959-V984 HydrophobicContact CG1-CG2 4.25Å; V959-V984 HydrophobicContact CG2-CG2 4.08Å; V959-V1009 HydrophobicContact CB-CB 3.85Å; V959-V1009 HydrophobicContact CB-CG1 4.48Å; V959-V1009 HydrophobicContact CB-CG2 4.1Å; V959-V1009 HydrophobicContact CG1-CB 4.5Å; V959-V1009 HydrophobicContact CG1-CG2 4.21Å; V959-V1009 HydrophobicContact CG2-CB 3.66Å; V959-V1009 HydrophobicContact CG2-CG1 3.75Å; V959-V1009 HydrophobicContact CG2-CG2 3.97Å; V959-E1010 CarbonylContact C-O 3.48Å; V959-E1010 WeakPolarHBondContact CA-O 3.26Å; V959-E1010 WeakPolarHBondContact CB-O 3.34Å; V959-H1011 WeakPolarHBondContact CG1-ND1 3.19Å
960R95Very high87.7Confident85 Ų8574.6 Ų74.632%0.32139%0.387SS..EExtended strand (participates in β ladder)trans-97.7135.8168179.3-166.7-70.3137.3-8.8108.5Q979 I980 V1009 E1010 L1012R960-Q979 WeakPolarHBondContact CA-O 3.32Å; R960-I980 HydrophobicContact CB-CD1 3.98Å; R960-I980 HydrophobicContact CG-CD1 4.07Å; R960-V1009 CarbonylContact O-C 3.29Å; R960-V1009 VanDerWaalsContact O-CA 3.25Å; R960-V1009 WeakPolarHBondContact O-CA 3.34Å; R960-E1010 IonicContact CZ-OE2 2.8Å; R960-E1010 PolarHBondContact N-O 2.84Å; R960-E1010 IonicContact NH1-OE2 2.65Å; R960-E1010 PolarHBondContact NH1-OE2 3.15Å; R960-E1010 PolarHBondContact O-N 3.39Å; R960-L1012 HydrophobicContact CB-CD2 4.08Å; R960-L1012 HydrophobicContact CB-CG 4.24Å
961T95.1Very high88Confident0 Ų070.7 Ų70.70%039%0.385CS..EExtended strand (participates in β ladder)trans-74.8135.917355.30000111.2F975 E976 N978 Q979 I981 V1009T961-F975 HydrophobicContact CG2-CB 4.06Å; T961-F975 HydrophobicContact CG2-CD1 4.41Å; T961-F975 HydrophobicContact CG2-CD2 3.26Å; T961-F975 HydrophobicContact CG2-CE2 3.66Å; T961-F975 HydrophobicContact CG2-CG 3.68Å; T961-F975 HydrophobicContact CG2-CZ 4.39Å; T961-E976 WeakPolarHBondContact CB-O 3.26Å; T961-E976 PolarHBondContact OG1-O 3.48Å; T961-N978 PolarHBondContact O-N 3.1Å; T961-N978 PolarHBondContact OG1-N 2.77Å; T961-N978 VanDerWaalsContact OG1-N 3.12Å; T961-Q979 HydrophobicContact CG2-CB 4.46Å; T961-Q979 PolarHBondContact N-O 2.92Å; T961-Q979 PolarHBondContact OG1-N 3.09Å; T961-Q979 PolarHBondContact OG1-O 3.49Å; T961-I981 HydrophobicContact CG2-CD1 3.74Å; T961-I981 HydrophobicContact CG2-CG1 4.04Å; T961-V1009 HydrophobicContact CG2-CG1 4.31Å
962L92.8Very high88.6Confident76 Ų7670.6 Ų70.640%0.39838%0.384SS..  trans-95.9-31.3179.6-64.5175.2000112.2Y1008 E1010L962-Y1008 PolarHBondContact N-O 3.11Å; L962-E1010 HydrophobicContact CD1-CB 4.41Å; L962-E1010 HydrophobicContact CD2-CB 4.05Å; L962-E1010 HydrophobicContact CG-CB 4.32Å
963Y92.5Very high89Confident136 Ų13670.7 Ų70.753%0.53338%0.384SS..SBendtrans-130.7166-177.9-48.8-68.1000110.6F975 Y1008Y963-F975 WeakPolarHBondContact O-CD2 3.41Å; Y963-F975 WeakPolarHBondContact O-CE2 3.42Å; Y963-Y1008 HydrophobicContact CD2-CD1 4.3Å; Y963-Y1008 HydrophobicContact CD2-CD2 4.19Å; Y963-Y1008 HydrophobicContact CD2-CG 4.07Å
964A91.6Very high89.7Confident53 Ų5369.9 Ų69.944%0.43838%0.379SS..  trans-75.2147168.400000110.2F975 P977 Y1008A964-F975 CarbonylContact C-O 3.56Å; A964-F975 WeakPolarHBondContact CA-O 3.5Å; A964-P977 HydrophobicContact CB-CG 4.44Å; A964-Y1008 WeakPolarHBondContact O-CE1 3.47Å
965C91.6Very high90.3Very high23 Ų2365.9 Ų65.916%0.15535%0.354CS..BIsolated β-bridgetrans-139.2133.9173.5-168.80000109.2S974 F975 Y1008C965-S974 CarbonylContact O-C 3.57Å; C965-S974 WeakPolarHBondContact O-CA 3.5Å; C965-F975 HydrophobicContact CB-CD1 3.94Å; C965-F975 HydrophobicContact CB-CD2 3.8Å; C965-F975 HydrophobicContact CB-CE1 3.56Å; C965-F975 HydrophobicContact CB-CE2 3.43Å; C965-F975 VanDerWaalsContact CB-CE2 3.43Å; C965-F975 HydrophobicContact CB-CG 4.06Å; C965-F975 HydrophobicContact CB-CZ 3.31Å; C965-F975 PolarHBondContact N-O 2.76Å; C965-F975 PolarHBondContact O-N 3.43Å; C965-Y1008 HydrophobicContact CB-CD1 4.18Å; C965-Y1008 HydrophobicContact CB-CE1 4.37Å
966M92.2Very high90.9Very high167 Ų16770.5 Ų70.582%0.82337%0.371SS*.  trans-108128162.3-62.9-169.3-56.200106.7
967G86.6Confident91.3Very high24 Ų2468.6 Ų68.625%0.24736%0.36CS..  trans-76.1130.5177.500000110.8E972 S974G967-E972 WeakPolarHBondContact CA-OE2 3.29Å; G967-S974 PolarHBondContact N-OG 2.86Å
968E84Confident91.5Very high193 Ų19374 Ų7490%0.90239%0.388SS*.SBendtrans-82-25.2-179.7-62.3-170.7175.500111.9E972E968-E972 PolarHBondContact N-OE2 2.91Å
969S85.9Confident91.6Very high60 Ų6071.3 Ų71.342%0.4238%0.38SS..SBendtrans-115.7163.3173.577.60000114G971 E972S969-G971 PolarHBondContact O-N 2.69Å; S969-G971 PolarHBondContact OG-N 3.06Å; S969-E972 WeakPolarHBondContact CB-OE1 3.39Å; S969-E972 PolarHBondContact N-OE1 3.3Å; S969-E972 PolarHBondContact O-N 3.48Å; S969-E972 VanDerWaalsContact O-N 3.16Å; S969-E972 PolarHBondContact OG-OE1 2.9Å
970E82.9Confident91.6Very high179 Ų17974.6 Ų74.684%0.83640%0.397SS*.THydrogen-bonded Turntrans-61.9-22.5174.5-169.1169.5-14400112.7E972 K1000E970-E972 PolarHBondContact O-N 3.11Å; E970-K1000 WeakPolarHBondContact O-CE 3.49Å; E970-K1000 PolarHBondContact O-NZ 3.46Å
971G88.3Confident91.6Very high41 Ų4170.5 Ų70.542%0.42338%0.382SS..THydrogen-bonded Turntrans-77-11.4176.600000115.4S969 G1002 L1003S969-G971 PolarHBondContact O-N 2.69Å; S969-G971 PolarHBondContact OG-N 3.06Å; G971-G1002 CarbonylContact O-C 3.57Å; G971-G1002 WeakPolarHBondContact O-CA 3.27Å; G971-L1003 PolarHBondContact O-N 2.84Å
972E93.5Very high91.5Very high28 Ų2872.9 Ų72.913%0.13140%0.397CS..BIsolated β-bridgetrans-95.9157.5-177.3-73.3153.5-10800113.3G967 E968 S969 E970 W992 K1000 L1003G967-E972 WeakPolarHBondContact CA-OE2 3.29Å; E968-E972 PolarHBondContact N-OE2 2.91Å; S969-E972 WeakPolarHBondContact CB-OE1 3.39Å; S969-E972 PolarHBondContact N-OE1 3.3Å; S969-E972 PolarHBondContact O-N 3.48Å; S969-E972 VanDerWaalsContact O-N 3.16Å; S969-E972 PolarHBondContact OG-OE1 2.9Å; E970-E972 PolarHBondContact O-N 3.11Å; E972-W992 HydrophobicContact CG-CH2 4.36Å; E972-W992 HydrophobicContact CG-CZ3 4.25Å; E972-K1000 PolarHBondContact O-NZ 3.01Å; E972-L1003 HydrophobicContact CG-CB 4.18Å
973L92.7Very high91.5Very high4 Ų473.1 Ų73.12%0.02140%0.398CS..PPolyproline II helixtrans-96127.7169-72.6179000111.2F975 I981 G995 L997 K1000 L1003 I1004L973-F975 HydrophobicContact CB-CD1 4.13Å; L973-F975 VanDerWaalsContact O-CD1 3.3Å; L973-F975 WeakPolarHBondContact O-CD1 3.13Å; L973-F975 WeakPolarHBondContact O-CE1 3.23Å; L973-I981 HydrophobicContact CD1-CD1 4.49Å; L973-I981 HydrophobicContact CD1-CG2 4.19Å; L973-G995 WeakPolarHBondContact CD1-O 3.25Å; L973-L997 HydrophobicContact CD1-CB 4.01Å; L973-L997 HydrophobicContact CD2-CB 4.35Å; L973-K1000 HydrophobicContact CD2-CB 3.9Å; L973-K1000 HydrophobicContact CD2-CD 4.05Å; L973-K1000 HydrophobicContact CD2-CG 3.94Å; L973-L1003 PolarHBondContact N-O 3.4Å; L973-I1004 HydrophobicContact CB-CG1 4.37Å; L973-I1004 HydrophobicContact CD1-CD1 4.07Å; L973-I1004 HydrophobicContact CD1-CG1 3.88Å
974S94.8Very high91.6Very high70 Ų7066.7 Ų66.749%0.4937%0.373SS..PPolyproline II helixtrans-88135.9163.6-53.60000109.3C965 G967C965-S974 CarbonylContact O-C 3.57Å; C965-S974 WeakPolarHBondContact O-CA 3.5Å; G967-S974 PolarHBondContact N-OG 2.86Å
975F95.4Very high91.6Very high6 Ų668.2 Ų68.23%0.02637%0.367CS..BIsolated β-bridgetrans-155.4153-175.652.7-101.6000112.8T961 Y963 A964 C965 L973 Q979 I981 L997 I1004 Y1008T961-F975 HydrophobicContact CG2-CB 4.06Å; T961-F975 HydrophobicContact CG2-CD1 4.41Å; T961-F975 HydrophobicContact CG2-CD2 3.26Å; T961-F975 HydrophobicContact CG2-CE2 3.66Å; T961-F975 HydrophobicContact CG2-CG 3.68Å; T961-F975 HydrophobicContact CG2-CZ 4.39Å; Y963-F975 WeakPolarHBondContact O-CD2 3.41Å; Y963-F975 WeakPolarHBondContact O-CE2 3.42Å; A964-F975 CarbonylContact C-O 3.56Å; A964-F975 WeakPolarHBondContact CA-O 3.5Å; C965-F975 HydrophobicContact CB-CD1 3.94Å; C965-F975 HydrophobicContact CB-CD2 3.8Å; C965-F975 HydrophobicContact CB-CE1 3.56Å; C965-F975 HydrophobicContact CB-CE2 3.43Å; C965-F975 VanDerWaalsContact CB-CE2 3.43Å; C965-F975 HydrophobicContact CB-CG 4.06Å; C965-F975 HydrophobicContact CB-CZ 3.31Å; C965-F975 PolarHBondContact N-O 2.76Å; C965-F975 PolarHBondContact O-N 3.43Å; L973-F975 HydrophobicContact CB-CD1 4.13Å; L973-F975 VanDerWaalsContact O-CD1 3.3Å; L973-F975 WeakPolarHBondContact O-CD1 3.13Å; L973-F975 WeakPolarHBondContact O-CE1 3.23Å; F975-Q979 VanDerWaalsContact CA-OE1 3.31Å; F975-I981 HydrophobicContact CD1-CD1 4.03Å; F975-I981 HydrophobicContact CE1-CD1 4.33Å; F975-I981 HydrophobicContact CG-CD1 4.39Å; F975-L997 HydrophobicContact CB-CD2 3.65Å; F975-I1004 HydrophobicContact CE1-CG2 3.88Å; F975-I1004 HydrophobicContact CZ-CG2 4.03Å; F975-Y1008 HydrophobicContact CE2-CD1 4.15Å; F975-Y1008 HydrophobicContact CZ-CD1 4.19Å
976E93.9Very high91.6Very high116 Ų11672.2 Ų72.254%0.54238%0.38SS..  trans-97.6160.8173.3-70.6-62.7157.900111.1T961 Q979T961-E976 WeakPolarHBondContact CB-O 3.26Å; T961-E976 PolarHBondContact OG1-O 3.48Å; E976-Q979 HydrophobicContact CB-CG 4.2Å; E976-Q979 WeakPolarHBondContact O-CB 3.37Å; E976-Q979 WeakPolarHBondContact O-CG 3.39Å; E976-Q979 PolarHBondContact O-N 3.06Å
977P93.3Very high91.6Very high54 Ų5465.6 Ų65.635%0.35135%0.35SS..THydrogen-bonded Turntrans-58.1147.3174.7-21.131.6000113A964 Q979A964-P977 HydrophobicContact CB-CG 4.44Å; P977-Q979 PolarHBondContact O-N 2.71Å
978N91.9Very high91.5Very high119 Ų11973.9 Ų73.964%0.63638%0.382SS*.THydrogen-bonded Turntrans64.87.9-178.1-54.4-81.6000116.4T961T961-N978 PolarHBondContact O-N 3.1Å; T961-N978 PolarHBondContact OG1-N 2.77Å; T961-N978 VanDerWaalsContact OG1-N 3.12Å
979Q94.7Very high91.6Very high63 Ų6369.2 Ų69.229%0.29436%0.36SS..  trans-70.2152.6167-69.3-176.1-20.200111R960 T961 F975 E976 P977R960-Q979 WeakPolarHBondContact CA-O 3.32Å; T961-Q979 HydrophobicContact CG2-CB 4.46Å; T961-Q979 PolarHBondContact N-O 2.92Å; T961-Q979 PolarHBondContact OG1-N 3.09Å; T961-Q979 PolarHBondContact OG1-O 3.49Å; F975-Q979 VanDerWaalsContact CA-OE1 3.31Å; E976-Q979 HydrophobicContact CB-CG 4.2Å; E976-Q979 WeakPolarHBondContact O-CB 3.37Å; E976-Q979 WeakPolarHBondContact O-CG 3.39Å; E976-Q979 PolarHBondContact O-N 3.06Å; P977-Q979 PolarHBondContact O-N 2.71Å
980I94.9Very high91.5Very high69 Ų6972.5 Ų72.535%0.35438%0.38SS..EExtended strand (participates in β ladder)trans-109.2118.2-178.3-51.2-45000109.7R958 V959 R960 L1012R958-I980 HydrophobicContact CB-CG2 4.48Å; V959-I980 WeakPolarHBondContact O-CA 3.2Å; R960-I980 HydrophobicContact CB-CD1 3.98Å; R960-I980 HydrophobicContact CG-CD1 4.07Å; I980-L1012 HydrophobicContact CD1-CD1 3.82Å; I980-L1012 HydrophobicContact CG1-CD1 4.38Å; I980-L1012 HydrophobicContact CG2-CD1 3.82Å
981I94.9Very high91.8Very high0 Ų065.9 Ų65.90%036%0.36CS..EExtended strand (participates in β ladder)trans-99.4136.4175.5-50.3-178.4000108.5R958 V959 T961 L973 F975 V984 T996 L997 I1004R958-I981 WeakPolarHBondContact CA-O 3.38Å; V959-I981 HydrophobicContact CG2-CB 3.94Å; V959-I981 HydrophobicContact CG2-CG1 4.49Å; V959-I981 PolarHBondContact N-O 3.02Å; V959-I981 PolarHBondContact O-N 3.35Å; T961-I981 HydrophobicContact CG2-CD1 3.74Å; T961-I981 HydrophobicContact CG2-CG1 4.04Å; L973-I981 HydrophobicContact CD1-CD1 4.49Å; L973-I981 HydrophobicContact CD1-CG2 4.19Å; F975-I981 HydrophobicContact CD1-CD1 4.03Å; F975-I981 HydrophobicContact CE1-CD1 4.33Å; F975-I981 HydrophobicContact CG-CD1 4.39Å; I981-V984 HydrophobicContact CB-CG2 4.43Å; I981-V984 HydrophobicContact CG2-CG2 4.1Å; I981-T996 VanDerWaalsContact CG2-O 3.28Å; I981-T996 WeakPolarHBondContact CG2-O 3.34Å; I981-L997 HydrophobicContact CG1-CB 4.33Å; I981-L997 HydrophobicContact CG1-CD1 4.46Å; I981-L997 HydrophobicContact CG1-CD2 4.4Å; I981-L997 HydrophobicContact CG2-CB 4.45Å; I981-I1004 HydrophobicContact CD1-CD1 3.95Å; I981-I1004 HydrophobicContact CD1-CG1 4.01Å; I981-I1004 HydrophobicContact CD1-CG2 4.14Å; I981-I1004 HydrophobicContact CG2-CD1 3.73Å
982T94.3Very high92.1Very high50 Ų5067.6 Ų67.631%0.30735%0.353SS..EExtended strand (participates in β ladder)trans-111.9177.4-179.562.70000112R958 V984 G995 T996R958-T982 HydrophobicContact CG-CG2 4.25Å; T982-V984 WeakPolarHBondContact O-CG2 3.41Å; T982-V984 PolarHBondContact O-N 2.88Å; T982-G995 WeakPolarHBondContact O-CA 3.35Å; T982-T996 PolarHBondContact N-O 3.23Å; T982-T996 PolarHBondContact O-N 3.43Å; T982-T996 PolarHBondContact OG1-O 2.87Å
983N92Very high92.1Very high81 Ų8166.2 Ų66.243%0.43335%0.347SS..EExtended strand (participates in β ladder)trans57.930.5176.2-51.3-22000114.1G955 A957 R985 T996G955-N983 CarbonylContact O-C 3.58Å; G955-N983 VanDerWaalsContact O-C 3.29Å; G955-N983 WeakPolarHBondContact O-CA 3.45Å; A957-N983 PolarHBondContact O-N 3.44Å; N983-R985 PolarHBondContact O-NH1 3.46Å; N983-R985 VanDerWaalsContact O-NH1 3.16Å; N983-T996 PolarHBondContact ND2-OG1 2.86Å
984V94.1Very high92.2Very high0 Ų069.2 Ų69.20%036%0.361CS..EExtended strand (participates in β ladder)trans-79.3132.3-166-174.20000111.4A957 V959 I981 T982 L993 Q994A957-V984 HydrophobicContact CB-CB 4.16Å; A957-V984 PolarHBondContact O-N 2.88Å; V959-V984 HydrophobicContact CG1-CB 4.46Å; V959-V984 HydrophobicContact CG1-CG1 4.16Å; V959-V984 HydrophobicContact CG1-CG2 4.25Å; V959-V984 HydrophobicContact CG2-CG2 4.08Å; I981-V984 HydrophobicContact CB-CG2 4.43Å; I981-V984 HydrophobicContact CG2-CG2 4.1Å; T982-V984 WeakPolarHBondContact O-CG2 3.41Å; T982-V984 PolarHBondContact O-N 2.88Å; V984-L993 HydrophobicContact CG1-CB 4.01Å; V984-L993 HydrophobicContact CG1-CD1 3.86Å; V984-L993 HydrophobicContact CG1-CG 4.46Å; V984-Q994 WeakPolarHBondContact CA-O 3.28Å
985R92.5Very high92.2Very high86 Ų8665.9 Ų65.933%0.32534%0.338SS..EExtended strand (participates in β ladder)trans-142.7166.7-18057.8-178170.9-84.68.6110.6L952 N983 L993 Q994L952-R985 WeakPolarHBondContact O-CA 3.32Å; L952-R985 WeakPolarHBondContact O-CB 3.37Å; N983-R985 PolarHBondContact O-NH1 3.46Å; N983-R985 VanDerWaalsContact O-NH1 3.16Å; R985-L993 CarbonylContact O-C 3.5Å; R985-L993 WeakPolarHBondContact O-CA 3.36Å; R985-Q994 HydrophobicContact CG-CB 4.08Å; R985-Q994 WeakPolarHBondContact CG-O 3.39Å; R985-Q994 PolarHBondContact N-O 3.3Å; R985-Q994 VanDerWaalsContact NH2-CD 3.3Å; R985-Q994 PolarHBondContact O-N 3.26Å
986Y91.9Very high92.2Very high106 Ų10666.5 Ų66.542%0.41634%0.342SS..EExtended strand (participates in β ladder)trans-62.6143.5169.8-62.2-76.8000111.2L952 L993L952-Y986 HydrophobicContact CB-CD2 4.04Å; L952-Y986 HydrophobicContact CB-CE2 3.62Å; L952-Y986 HydrophobicContact CD2-CD1 4.04Å; L952-Y986 HydrophobicContact CD2-CD2 4.26Å; L952-Y986 HydrophobicContact CD2-CE1 3.7Å; L952-Y986 HydrophobicContact CD2-CE2 3.93Å; L952-Y986 HydrophobicContact CD2-CG 4.31Å; L952-Y986 HydrophobicContact CG-CE2 4.43Å; Y986-L993 HydrophobicContact CD1-CD2 4.09Å
987S90.8Very high92.2Very high28 Ų2861.7 Ų61.720%0.19632%0.32CS..  trans-79.3170.7164.8-171.10000111E989 W992 L1003S987-E989 PolarHBondContact OG-N 3.29Å; S987-E989 VanDerWaalsContact OG-N 3.14Å; S987-W992 WeakPolarHBondContact CB-O 3.31Å; S987-W992 PolarHBondContact N-O 3.17Å; S987-L1003 VanDerWaalsContact OG-CD2 3.27Å; S987-L1003 WeakPolarHBondContact OG-CD2 3.32Å
988H85.1Confident92Very high198 Ų19866.4 Ų66.492%0.91734%0.342SS*.SBendtrans-73.7-18.4160.4-67.7-71.4000112.2
989E85.2Confident91.9Very high96 Ų9664 Ų6445%0.44935%0.345SS..SBendtrans-90.6122.3177.9-65.5179.5179.100110.9S987 G991 W992S987-E989 PolarHBondContact OG-N 3.29Å; S987-E989 VanDerWaalsContact OG-N 3.14Å; E989-G991 PolarHBondContact O-N 2.88Å; E989-W992 HydrophobicContact CB-CB 4.21Å; E989-W992 HydrophobicContact CB-CG 4.24Å; E989-W992 PolarHBondContact O-N 3.5Å; E989-W992 VanDerWaalsContact O-N 3.14Å
990P85Confident91.7Very high128 Ų12865.2 Ų65.283%0.83135%0.35SS*.THydrogen-bonded Turntrans-59.5134.1179.5-25.735.3000112.9W992P990-W992 VanDerWaalsContact C-N 3.28Å
991G89Confident91.6Very high40 Ų4064.9 Ų64.941%0.41235%0.351SS..THydrogen-bonded Turntrans811.5-176.800000114.8E989 E1006E989-G991 PolarHBondContact O-N 2.88Å; G991-E1006 VanDerWaalsContact O-CB 3.25Å; G991-E1006 WeakPolarHBondContact O-CB 3.33Å; G991-E1006 PolarHBondContact O-N 2.86Å
992W93.7Very high91.6Very high77 Ų7765 Ų6529%0.29235%0.352SS..EExtended strand (participates in β ladder)trans-112.2144.1172.8-65.288.7000111.9E972 S987 E989 P990 L1003 I1004 P1005E972-W992 HydrophobicContact CG-CH2 4.36Å; E972-W992 HydrophobicContact CG-CZ3 4.25Å; S987-W992 WeakPolarHBondContact CB-O 3.31Å; S987-W992 PolarHBondContact N-O 3.17Å; E989-W992 HydrophobicContact CB-CB 4.21Å; E989-W992 HydrophobicContact CB-CG 4.24Å; E989-W992 PolarHBondContact O-N 3.5Å; E989-W992 VanDerWaalsContact O-N 3.14Å; P990-W992 VanDerWaalsContact C-N 3.28Å; W992-L1003 HydrophobicContact CB-CD2 4.45Å; W992-L1003 HydrophobicContact CD2-CB 4.44Å; W992-L1003 HydrophobicContact CE3-CB 3.68Å; W992-L1003 HydrophobicContact CZ3-CB 3.99Å; W992-I1004 WeakPolarHBondContact CA-O 3.27Å; W992-I1004 VanDerWaalsContact CE3-C 3.42Å; W992-P1005 HydrophobicContact CE3-CG 4.18Å; W992-P1005 HydrophobicContact CH2-CG 4.19Å; W992-P1005 HydrophobicContact CZ3-CG 3.77Å
993L94.2Very high91.7Very high0 Ų064 Ų640%035%0.345CS..EExtended strand (participates in β ladder)trans-108.9153.7167.5-58.4179.5000109.1L952 V984 R985 Y986 L1003 I1004 E1006 V1009L952-L993 HydrophobicContact CD2-CD2 3.75Å; V984-L993 HydrophobicContact CG1-CB 4.01Å; V984-L993 HydrophobicContact CG1-CD1 3.86Å; V984-L993 HydrophobicContact CG1-CG 4.46Å; R985-L993 CarbonylContact O-C 3.5Å; R985-L993 WeakPolarHBondContact O-CA 3.36Å; Y986-L993 HydrophobicContact CD1-CD2 4.09Å; L993-L1003 CarbonylContact O-C 3.56Å; L993-L1003 WeakPolarHBondContact O-CA 3.21Å; L993-I1004 HydrophobicContact CB-CB 4.48Å; L993-I1004 PolarHBondContact N-O 2.92Å; L993-I1004 PolarHBondContact O-N 2.95Å; L993-E1006 HydrophobicContact CD1-CB 4.43Å; L993-E1006 HydrophobicContact CD1-CG 4.22Å; L993-E1006 HydrophobicContact CD2-CG 4.37Å; L993-E1006 HydrophobicContact CG-CB 4.08Å; L993-E1006 HydrophobicContact CG-CG 4.18Å; L993-V1009 HydrophobicContact CD1-CG2 4Å
994Q94.4Very high91.8Very high66 Ų6660.1 Ų60.131%0.30832%0.324SS..EExtended strand (participates in β ladder)trans-110.9133.5169.5-162.5-178.238.700109.2V984 R985 T1001 G1002V984-Q994 WeakPolarHBondContact CA-O 3.28Å; R985-Q994 HydrophobicContact CG-CB 4.08Å; R985-Q994 WeakPolarHBondContact CG-O 3.39Å; R985-Q994 PolarHBondContact N-O 3.3Å; R985-Q994 VanDerWaalsContact NH2-CD 3.3Å; R985-Q994 PolarHBondContact O-N 3.26Å; Q994-T1001 HydrophobicContact CG-CG2 4.22Å; Q994-G1002 WeakPolarHBondContact CA-O 3.49Å
995G94.4Very high91.8Very high0 Ų060.9 Ų60.90%033%0.329CS..EExtended strand (participates in β ladder)trans-156.8-178.6-178.900000112.7L973 T982 T1001 G1002L973-G995 WeakPolarHBondContact CD1-O 3.25Å; T982-G995 WeakPolarHBondContact O-CA 3.35Å; G995-T1001 VanDerWaalsContact O-CA 3.26Å; G995-T1001 WeakPolarHBondContact O-CA 3.44Å; G995-T1001 WeakPolarHBondContact O-CG2 3.49Å; G995-G1002 PolarHBondContact N-O 2.72Å; G995-G1002 VanDerWaalsContact N-O 3.08Å; G995-G1002 PolarHBondContact O-N 3.03Å
996T95.2Very high91.9Very high20 Ų2060.7 Ų60.712%0.12333%0.331CS..EExtended strand (participates in β ladder)trans-120.5130.3-176.2-51.50000111.4I981 T982 N983 K1000 T1001I981-T996 VanDerWaalsContact CG2-O 3.28Å; I981-T996 WeakPolarHBondContact CG2-O 3.34Å; T982-T996 PolarHBondContact N-O 3.23Å; T982-T996 PolarHBondContact O-N 3.43Å; T982-T996 PolarHBondContact OG1-O 2.87Å; N983-T996 PolarHBondContact ND2-OG1 2.86Å; T996-K1000 CarbonylContact C-O 3.52Å; T996-K1000 VanDerWaalsContact CA-O 3.31Å; T996-K1000 WeakPolarHBondContact CA-O 3.41Å; T996-K1000 WeakPolarHBondContact CG2-O 3.27Å; T996-T1001 PolarHBondContact OG1-OG1 3.05Å
997L94.4Very high91.9Very high15 Ų1561.1 Ų61.18%0.07934%0.341CS..EExtended strand (participates in β ladder)trans-137.4130.1174.2179.164.8000109.3L973 F975 I981 G999 K1000L973-L997 HydrophobicContact CD1-CB 4.01Å; L973-L997 HydrophobicContact CD2-CB 4.35Å; F975-L997 HydrophobicContact CB-CD2 3.65Å; I981-L997 HydrophobicContact CG1-CB 4.33Å; I981-L997 HydrophobicContact CG1-CD1 4.46Å; I981-L997 HydrophobicContact CG1-CD2 4.4Å; I981-L997 HydrophobicContact CG2-CB 4.45Å; L997-G999 PolarHBondContact O-N 3.49Å; L997-K1000 PolarHBondContact N-O 2.88Å; L997-K1000 PolarHBondContact O-N 3.08Å; L997-K1000 VanDerWaalsContact O-O 3.12Å
998N90.1Very high92.2Very high152 Ų15263.6 Ų63.681%0.81335%0.347SS*.THydrogen-bonded Turntrans49.932.1-179.9-59.4-19000114.3K1000N998-K1000 VanDerWaalsContact C-N 3.3Å; N998-K1000 PolarHBondContact O-N 3.04Å
999G88.8Confident92.6Very high68 Ų6854.9 Ų54.970%0.70131%0.308SS*.THydrogen-bonded Turntrans86.3-23.6-177.400000115.2L997L997-G999 PolarHBondContact O-N 3.49Å
1000K91Very high93Very high90 Ų9054.6 Ų54.639%0.39131%0.306SS..EExtended strand (participates in β ladder)trans-73.1139.9170.7-165.5-177.2-179.4-160.60109.4E970 E972 L973 T996 L997 N998E970-K1000 WeakPolarHBondContact O-CE 3.49Å; E970-K1000 PolarHBondContact O-NZ 3.46Å; E972-K1000 PolarHBondContact O-NZ 3.01Å; L973-K1000 HydrophobicContact CD2-CB 3.9Å; L973-K1000 HydrophobicContact CD2-CD 4.05Å; L973-K1000 HydrophobicContact CD2-CG 3.94Å; T996-K1000 CarbonylContact C-O 3.52Å; T996-K1000 VanDerWaalsContact CA-O 3.31Å; T996-K1000 WeakPolarHBondContact CA-O 3.41Å; T996-K1000 WeakPolarHBondContact CG2-O 3.27Å; L997-K1000 PolarHBondContact N-O 2.88Å; L997-K1000 PolarHBondContact O-N 3.08Å; L997-K1000 VanDerWaalsContact O-O 3.12Å; N998-K1000 VanDerWaalsContact C-N 3.3Å; N998-K1000 PolarHBondContact O-N 3.04Å
1001T93.7Very high93.2Very high61 Ų6151.3 Ų51.337%0.37428%0.279SS..EExtended strand (participates in β ladder)trans-113.1138.8170.3-64.60000108.9Q994 G995 T996Q994-T1001 HydrophobicContact CG-CG2 4.22Å; G995-T1001 VanDerWaalsContact O-CA 3.26Å; G995-T1001 WeakPolarHBondContact O-CA 3.44Å; G995-T1001 WeakPolarHBondContact O-CG2 3.49Å; T996-T1001 PolarHBondContact OG1-OG1 3.05Å
1002G94.4Very high93Very high2 Ų251.1 Ų51.12%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-174-177.1-176.800000114G971 Q994 G995G971-G1002 CarbonylContact O-C 3.57Å; G971-G1002 WeakPolarHBondContact O-CA 3.27Å; Q994-G1002 WeakPolarHBondContact CA-O 3.49Å; G995-G1002 PolarHBondContact N-O 2.72Å; G995-G1002 VanDerWaalsContact N-O 3.08Å; G995-G1002 PolarHBondContact O-N 3.03Å
1003L95.5Very high92.1Very high30 Ų3052.9 Ų52.916%0.15728%0.279CS..EExtended strand (participates in β ladder)trans-77.4145.7179.4-63.3176.7000112.3G971 E972 L973 S987 W992 L993G971-L1003 PolarHBondContact O-N 2.84Å; E972-L1003 HydrophobicContact CG-CB 4.18Å; L973-L1003 PolarHBondContact N-O 3.4Å; S987-L1003 VanDerWaalsContact OG-CD2 3.27Å; S987-L1003 WeakPolarHBondContact OG-CD2 3.32Å; W992-L1003 HydrophobicContact CB-CD2 4.45Å; W992-L1003 HydrophobicContact CD2-CB 4.44Å; W992-L1003 HydrophobicContact CE3-CB 3.68Å; W992-L1003 HydrophobicContact CZ3-CB 3.99Å; L993-L1003 CarbonylContact O-C 3.56Å; L993-L1003 WeakPolarHBondContact O-CA 3.21Å
1004I95.1Very high90.4Very high0 Ų056.8 Ų56.80%030%0.304CS..EExtended strand (participates in β ladder)trans-141.8129.1-174.4-53.3149.5000107.9L973 F975 I981 W992 L993 E1006 V1009L973-I1004 HydrophobicContact CB-CG1 4.37Å; L973-I1004 HydrophobicContact CD1-CD1 4.07Å; L973-I1004 HydrophobicContact CD1-CG1 3.88Å; F975-I1004 HydrophobicContact CE1-CG2 3.88Å; F975-I1004 HydrophobicContact CZ-CG2 4.03Å; I981-I1004 HydrophobicContact CD1-CD1 3.95Å; I981-I1004 HydrophobicContact CD1-CG1 4.01Å; I981-I1004 HydrophobicContact CD1-CG2 4.14Å; I981-I1004 HydrophobicContact CG2-CD1 3.73Å; W992-I1004 WeakPolarHBondContact CA-O 3.27Å; W992-I1004 VanDerWaalsContact CE3-C 3.42Å; L993-I1004 HydrophobicContact CB-CB 4.48Å; L993-I1004 PolarHBondContact N-O 2.92Å; L993-I1004 PolarHBondContact O-N 2.95Å; I1004-E1006 PolarHBondContact O-N 2.95Å; I1004-V1009 HydrophobicContact CG2-CG1 3.62Å
1005P93.9Very high88.1Confident16 Ų1662 Ų6210%0.10433%0.328CS..EExtended strand (participates in β ladder)trans-64.7128.7173.9-20.132000111.2W992 N1007 Y1008W992-P1005 HydrophobicContact CE3-CG 4.18Å; W992-P1005 HydrophobicContact CH2-CG 4.19Å; W992-P1005 HydrophobicContact CZ3-CG 3.77Å; P1005-N1007 VanDerWaalsContact CB-OD1 3.23Å; P1005-N1007 WeakPolarHBondContact CB-OD1 3.4Å; P1005-N1007 PolarHBondContact O-N 3.2Å; P1005-Y1008 HydrophobicContact CB-CD2 3.79Å; P1005-Y1008 HydrophobicContact CB-CE2 4.47Å; P1005-Y1008 HydrophobicContact CB-CG 3.98Å; P1005-Y1008 HydrophobicContact CG-CD2 4.25Å; P1005-Y1008 HydrophobicContact CG-CG 4.15Å; P1005-Y1008 WeakPolarHBondContact O-CB 3.42Å; P1005-Y1008 PolarHBondContact O-N 3.21Å
1006E93.5Very high85.2Confident81 Ų8174.2 Ų74.238%0.37938%0.384SS..G310 helixtrans-60.7-33.7-177.2-176.1175.3-159.100111.9G991 L993 I1004 Y1008 V1009G991-E1006 VanDerWaalsContact O-CB 3.25Å; G991-E1006 WeakPolarHBondContact O-CB 3.33Å; G991-E1006 PolarHBondContact O-N 2.86Å; L993-E1006 HydrophobicContact CD1-CB 4.43Å; L993-E1006 HydrophobicContact CD1-CG 4.22Å; L993-E1006 HydrophobicContact CD2-CG 4.37Å; L993-E1006 HydrophobicContact CG-CB 4.08Å; L993-E1006 HydrophobicContact CG-CG 4.18Å; I1004-E1006 PolarHBondContact O-N 2.95Å; E1006-Y1008 VanDerWaalsContact C-N 3.29Å; E1006-Y1008 PolarHBondContact O-N 3.14Å; E1006-V1009 WeakPolarHBondContact O-CG2 3.11Å
1007N93.2Very high84.7Confident116 Ų11676.9 Ų76.962%0.6240%0.398SS*.G310 helixtrans-76.6-6.3176.563-27.6000114.7P1005P1005-N1007 VanDerWaalsContact CB-OD1 3.23Å; P1005-N1007 WeakPolarHBondContact CB-OD1 3.4Å; P1005-N1007 PolarHBondContact O-N 3.2Å
1008Y95.4Very high84.2Confident79 Ų7980.2 Ų80.231%0.3141%0.414SS..G310 helixtrans-93.81.8178.7-85.9-134.2000113L962 Y963 A964 C965 F975 P1005 E1006L962-Y1008 PolarHBondContact N-O 3.11Å; Y963-Y1008 HydrophobicContact CD2-CD1 4.3Å; Y963-Y1008 HydrophobicContact CD2-CD2 4.19Å; Y963-Y1008 HydrophobicContact CD2-CG 4.07Å; A964-Y1008 WeakPolarHBondContact O-CE1 3.47Å; C965-Y1008 HydrophobicContact CB-CD1 4.18Å; C965-Y1008 HydrophobicContact CB-CE1 4.37Å; F975-Y1008 HydrophobicContact CE2-CD1 4.15Å; F975-Y1008 HydrophobicContact CZ-CD1 4.19Å; P1005-Y1008 HydrophobicContact CB-CD2 3.79Å; P1005-Y1008 HydrophobicContact CB-CE2 4.47Å; P1005-Y1008 HydrophobicContact CB-CG 3.98Å; P1005-Y1008 HydrophobicContact CG-CD2 4.25Å; P1005-Y1008 HydrophobicContact CG-CG 4.15Å; P1005-Y1008 WeakPolarHBondContact O-CB 3.42Å; P1005-Y1008 PolarHBondContact O-N 3.21Å; E1006-Y1008 VanDerWaalsContact C-N 3.29Å; E1006-Y1008 PolarHBondContact O-N 3.14Å
1009V94.4Very high83.9Confident16 Ų1676.2 Ų76.210%0.09739%0.392CS..EExtended strand (participates in β ladder)trans-138.5155-169.7-600000114.5V959 R960 T961 L993 I1004 E1006V959-V1009 HydrophobicContact CB-CB 3.85Å; V959-V1009 HydrophobicContact CB-CG1 4.48Å; V959-V1009 HydrophobicContact CB-CG2 4.1Å; V959-V1009 HydrophobicContact CG1-CB 4.5Å; V959-V1009 HydrophobicContact CG1-CG2 4.21Å; V959-V1009 HydrophobicContact CG2-CB 3.66Å; V959-V1009 HydrophobicContact CG2-CG1 3.75Å; V959-V1009 HydrophobicContact CG2-CG2 3.97Å; R960-V1009 CarbonylContact O-C 3.29Å; R960-V1009 VanDerWaalsContact O-CA 3.25Å; R960-V1009 WeakPolarHBondContact O-CA 3.34Å; T961-V1009 HydrophobicContact CG2-CG1 4.31Å; L993-V1009 HydrophobicContact CD1-CG2 4Å; I1004-V1009 HydrophobicContact CG2-CG1 3.62Å; E1006-V1009 WeakPolarHBondContact O-CG2 3.11Å
1010E93.1Very high83.6Confident90 Ų9076.6 Ų76.642%0.42137%0.374SS..EExtended strand (participates in β ladder)trans-118130.9175.7179.1-171.5-149.400110.4V959 R960 L962 L1012V959-E1010 CarbonylContact C-O 3.48Å; V959-E1010 WeakPolarHBondContact CA-O 3.26Å; V959-E1010 WeakPolarHBondContact CB-O 3.34Å; R960-E1010 IonicContact CZ-OE2 2.8Å; R960-E1010 PolarHBondContact N-O 2.84Å; R960-E1010 IonicContact NH1-OE2 2.65Å; R960-E1010 PolarHBondContact NH1-OE2 3.15Å; R960-E1010 PolarHBondContact O-N 3.39Å; L962-E1010 HydrophobicContact CD1-CB 4.41Å; L962-E1010 HydrophobicContact CD2-CB 4.05Å; L962-E1010 HydrophobicContact CG-CB 4.32Å; E1010-L1012 PolarHBondContact O-N 3.02Å
1011H89.9Confident83.1Confident58 Ų5875.8 Ų75.827%0.26937%0.373SS..EExtended strand (participates in β ladder)trans-68.3122.2176.3-65.1-65.4000112.5I948 L952 V959 K1013I948-H1011 HydrophobicContact CD1-CB 4.31Å; I948-H1011 HydrophobicContact CG1-CB 4.36Å; I948-H1011 HydrophobicContact CG2-CB 4.45Å; L952-H1011 WeakPolarHBondContact CD1-CE1 3.16Å; V959-H1011 WeakPolarHBondContact CG1-ND1 3.19Å; H1011-K1013 PolarHBondContact O-N 2.95Å
1012L84.8Confident82.4Confident36 Ų3676.8 Ų76.819%0.18837%0.373CS..  trans-80.1113.6174.2-70.3178.3000110.3R958 R960 I980 E1010R958-L1012 HydrophobicContact CB-CB 4.45Å; R958-L1012 HydrophobicContact CB-CD1 4.4Å; R958-L1012 PolarHBondContact O-N 3.03Å; R960-L1012 HydrophobicContact CB-CD2 4.08Å; R960-L1012 HydrophobicContact CB-CG 4.24Å; I980-L1012 HydrophobicContact CD1-CD1 3.82Å; I980-L1012 HydrophobicContact CG1-CD1 4.38Å; I980-L1012 HydrophobicContact CG2-CD1 3.82Å; E1010-L1012 PolarHBondContact O-N 3.02Å
1013K74.1Confident81.6Confident115 Ų11582.1 Ų82.150%0.540%0.398SS..PPolyproline II helixtrans-56.3137.3169-65.3-164.2177-157.60110.7D944 H1011 H1015D944-K1013 WeakPolarHBondContact OD1-CE 3.4Å; D944-K1013 IonicContact OD1-NZ 3.89Å; D944-K1013 PolarHBondContact OD1-NZ 3.38Å; D944-K1013 IonicContact OD2-NZ 2.86Å; D944-K1013 PolarHBondContact OD2-NZ 2.97Å; H1011-K1013 PolarHBondContact O-N 2.95Å; K1013-H1015 PolarHBondContact O-N 2.94Å; K1013-H1015 PolarHBondContact O-ND1 3.23Å
1014P59.1Low80.5Confident82 Ų8286.2 Ų86.253%0.53242%0.417SS..PPolyproline II helixtrans-52.3131.3166.1-24.233.8000109.9
1015H45.2Very low79.3Confident175 Ų17593.3 Ų93.381%0.8145%0.451SS*.PPolyproline II helixtrans-84129.3165.4-70.825.3000107.1K1013K1013-H1015 PolarHBondContact O-N 2.94Å; K1013-H1015 PolarHBondContact O-ND1 3.23Å
1016H34.7Very low77.9Confident256 Ų256100.4 Ų100.4100%1.18548%0.483SS*.  trans-106.30170.8-97-62.1000108.9

Retrieved 1,016 of 1,016 residues in 897.1 ms (Link to these results)