A0A096NAN3_PAPAN Loading...

Proliferation-associated protein 2G4

AlphaFold DB (A0A2K6E360), UniProt , Accession A0A096NAN3, Species PAPAN (Papio anubis, Olive baboon), Gene PA2G4, Length 394 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
1M42Very low59.7Low253 Ų253137.7 Ų137.7100%1.24673%0.727SS**  097.90-74.7-154.5-10500108.1
2S38.6Very low62.9Low112 Ų112126.5 Ų126.578%0.78367%0.668SS**  trans-141.6110.4164.646.20000103.4E4S2-E4 PolarHBondContact O-N 3.26Å; S2-E4 VanDerWaalsContact O-N 3.15Å
3G39.9Very low65.6Low76 Ų76121.2 Ų121.278%0.78465%0.653SS**  trans-57.1118.417900000108.7D5G3-D5 VanDerWaalsContact C-N 3.31Å; G3-D5 PolarHBondContact O-N 3.45Å; G3-D5 VanDerWaalsContact O-N 3.15Å
4E41.9Very low67.9Low185 Ų185119 Ų11986%0.86464%0.636SS**  trans-68.1103.3156.1-72.4175.5169.300104.3S2 E6S2-E4 PolarHBondContact O-N 3.26Å; S2-E4 VanDerWaalsContact O-N 3.15Å; E4-E6 VanDerWaalsContact C-N 3.31Å; E4-E6 PolarHBondContact O-N 3.07Å
5D40.4Very low69.9Low146 Ų146120.4 Ų120.478%0.78164%0.644SS**  trans-53.3106.5160.4-76.6-38.1000105.4G3 Q7G3-D5 VanDerWaalsContact C-N 3.31Å; G3-D5 PolarHBondContact O-N 3.45Å; G3-D5 VanDerWaalsContact O-N 3.15Å; D5-Q7 PolarHBondContact O-N 3.21Å
6E44.1Very low71.6Confident191 Ų191118.8 Ų118.889%0.89363%0.634SS**  trans-6085.3167.5-79.6-179167.300106.5E4 Q8E4-E6 VanDerWaalsContact C-N 3.31Å; E4-E6 PolarHBondContact O-N 3.07Å; E6-Q8 PolarHBondContact O-N 3.34Å
7Q58.1Low73.2Confident172 Ų172111.8 Ų111.880%0.80460%0.597SS**  trans-59.9109.2172-78.21800.700106D5 E9D5-Q7 PolarHBondContact O-N 3.21Å; Q7-E9 PolarHBondContact O-N 3.34Å
8Q72.3Confident74.6Confident184 Ų184106.1 Ų106.186%0.8657%0.567SS**PPolyproline II helixtrans-51.9126.3178.9-161.8160.517.400108.8E6 Q10E6-Q8 PolarHBondContact O-N 3.34Å; Q8-Q10 PolarHBondContact O-N 2.9Å; Q8-Q10 VanDerWaalsContact O-N 3.11Å
9E86.9Confident75.8Confident92 Ų92103.9 Ų103.943%0.4356%0.558SS.*PPolyproline II helixtrans-52.6117.6-177.3-173.1-176.516200109.8Q7 T11 K191Q7-E9 PolarHBondContact O-N 3.34Å; E9-T11 PolarHBondContact O-N 3.07Å; E9-K191 WeakPolarHBondContact OE1-CB 3.36Å; E9-K191 WeakPolarHBondContact OE1-CD 3.36Å; E9-K191 VanDerWaalsContact OE1-CE 3.32Å; E9-K191 WeakPolarHBondContact OE1-CE 3.42Å; E9-K191 WeakPolarHBondContact OE1-CG 3.47Å; E9-K191 IonicContact OE1-NZ 3.54Å; E9-K191 PolarHBondContact OE1-NZ 2.75Å; E9-K191 IonicContact OE2-NZ 3.98Å; E9-K191 PolarHBondContact OE2-NZ 3.39Å
10Q95.4Very high77Confident57 Ų5799.2 Ų99.227%0.26653%0.532SS..PPolyproline II helixtrans-71.3128.1176.3-76.2176.850.900109.6Q8 V17 F117Q8-Q10 PolarHBondContact O-N 2.9Å; Q8-Q10 VanDerWaalsContact O-N 3.11Å; Q10-V17 HydrophobicContact CB-CG2 3.98Å; Q10-F117 HydrophobicContact CB-CE1 4.44Å; Q10-F117 HydrophobicContact CB-CZ 3.85Å
11T97.6Very high78Confident47 Ų4794.7 Ų94.729%0.28851%0.508SS..  trans-121.5170.8-176.271.90000112.2E9 A13 E14 V17E9-T11 PolarHBondContact O-N 3.07Å; T11-A13 PolarHBondContact O-N 3.14Å; T11-A13 WeakPolarHBondContact OG1-CB 3.46Å; T11-A13 PolarHBondContact OG1-N 2.74Å; T11-E14 PolarHBondContact O-N 3.15Å; T11-E14 VanDerWaalsContact O-N 3.07Å; T11-V17 VanDerWaalsContact O-CB 3.31Å; T11-V17 WeakPolarHBondContact O-CB 3.37Å; T11-V17 WeakPolarHBondContact O-CG1 3.46Å; T11-V17 WeakPolarHBondContact O-CG2 3.48Å
12I97.9Very high80.7Confident3 Ų387.2 Ų87.22%0.01547%0.469CS..THydrogen-bonded Turntrans-69.97.1174.762.1169.9000113.9V17 V18 Y21 H221 V223 L324 M326I12-V17 HydrophobicContact CG2-CG1 3.99Å; I12-V18 HydrophobicContact CB-CG2 3.86Å; I12-V18 HydrophobicContact CG2-CG2 4.31Å; I12-V18 WeakPolarHBondContact O-CG2 3.42Å; I12-Y21 HydrophobicContact CG2-CD2 3.68Å; I12-Y21 HydrophobicContact CG2-CE2 3.6Å; I12-H221 VanDerWaalsContact CG1-CA 3.47Å; I12-H221 HydrophobicContact CG1-CB 3.84Å; I12-H221 WeakPolarHBondContact CG1-O 3.45Å; I12-V223 HydrophobicContact CD1-CG2 4.01Å; I12-V223 HydrophobicContact CG1-CG2 4.41Å; I12-V223 HydrophobicContact CG2-CG2 3.68Å; I12-L324 HydrophobicContact CB-CD2 4.36Å; I12-L324 HydrophobicContact CD1-CB 3.77Å; I12-L324 HydrophobicContact CD1-CD2 4.38Å; I12-L324 HydrophobicContact CD1-CG 4Å; I12-L324 HydrophobicContact CG2-CD2 3.78Å; I12-L324 HydrophobicContact CG2-CG 4.05Å; I12-M326 HydrophobicContact CD1-SD 3.84Å; I12-M326 HydrophobicContact CG1-SD 4.45Å
13A97.3Very high83.6Confident57 Ų5784.4 Ų84.447%0.47144%0.443SS..THydrogen-bonded Turntrans-65.5-23.5162.200000111.8T11T11-A13 PolarHBondContact O-N 3.14Å; T11-A13 WeakPolarHBondContact OG1-CB 3.46Å; T11-A13 PolarHBondContact OG1-N 2.74Å
14E98Very high86.4Confident91 Ų9180.8 Ų80.843%0.42541%0.406SS..SBendtrans-95.6130177.8-63.9175.8-121.700111.8T11 L16 V17 V18T11-E14 PolarHBondContact O-N 3.15Å; T11-E14 VanDerWaalsContact O-N 3.07Å; E14-L16 VanDerWaalsContact C-N 3.25Å; E14-L16 PolarHBondContact O-N 3.4Å; E14-V17 HydrophobicContact CB-CB 4.29Å; E14-V17 HydrophobicContact CB-CG2 3.89Å; E14-V17 WeakPolarHBondContact O-CB 3.43Å; E14-V17 PolarHBondContact O-N 3.13Å; E14-V17 VanDerWaalsContact O-N 3.09Å; E14-V18 PolarHBondContact O-N 3.02Å
15D97.5Very high89.1Confident140 Ų14072 Ų7275%0.74937%0.365SS*.Hα-helixtrans-60.7-33.3-178.1-75.2-27000113.2V18 T19D15-V18 PolarHBondContact O-N 3.46Å; D15-T19 WeakPolarHBondContact O-CB 3.31Å; D15-T19 PolarHBondContact O-N 3.35Å; D15-T19 PolarHBondContact O-OG1 2.94Å
16L97.6Very high91.9Very high94 Ų9469.4 Ų69.449%0.49235%0.351SS..Hα-helixtrans-67.1-39.2177.5-17960.1000111.5E14 T19 K20E14-L16 VanDerWaalsContact C-N 3.25Å; E14-L16 PolarHBondContact O-N 3.4Å; L16-T19 WeakPolarHBondContact O-CB 3.43Å; L16-T19 PolarHBondContact O-N 2.91Å; L16-K20 WeakPolarHBondContact O-CG 3.33Å; L16-K20 PolarHBondContact O-N 3.36Å
17V98.4Very high94.5Very high0 Ų060.6 Ų60.60%031%0.31CS..Hα-helixtrans-63.2-46.2176175.50000110Q10 T11 I12 E14 T19 K20 Y21 F117Q10-V17 HydrophobicContact CB-CG2 3.98Å; T11-V17 VanDerWaalsContact O-CB 3.31Å; T11-V17 WeakPolarHBondContact O-CB 3.37Å; T11-V17 WeakPolarHBondContact O-CG1 3.46Å; T11-V17 WeakPolarHBondContact O-CG2 3.48Å; I12-V17 HydrophobicContact CG2-CG1 3.99Å; E14-V17 HydrophobicContact CB-CB 4.29Å; E14-V17 HydrophobicContact CB-CG2 3.89Å; E14-V17 WeakPolarHBondContact O-CB 3.43Å; E14-V17 PolarHBondContact O-N 3.13Å; E14-V17 VanDerWaalsContact O-N 3.09Å; V17-T19 PolarHBondContact O-N 2.97Å; V17-K20 PolarHBondContact O-N 3.49Å; V17-Y21 HydrophobicContact CG1-CD2 3.89Å; V17-Y21 HydrophobicContact CG1-CE2 3.79Å; V17-Y21 WeakPolarHBondContact O-CD2 3.47Å; V17-Y21 PolarHBondContact O-N 3.04Å; V17-F117 HydrophobicContact CB-CE1 4.44Å; V17-F117 HydrophobicContact CB-CZ 4.26Å; V17-F117 HydrophobicContact CG1-CD1 3.74Å; V17-F117 HydrophobicContact CG1-CD2 4.49Å; V17-F117 HydrophobicContact CG1-CE1 3.4Å; V17-F117 HydrophobicContact CG1-CE2 4.23Å; V17-F117 HydrophobicContact CG1-CG 4.27Å; V17-F117 HydrophobicContact CG1-CZ 3.67Å; V17-F117 HydrophobicContact CG2-CE1 4.28Å; V17-F117 HydrophobicContact CG2-CE2 4.23Å; V17-F117 HydrophobicContact CG2-CZ 3.74Å
18V98.5Very high96.4Very high10 Ų1052.4 Ų52.46%0.06127%0.272CS..Hα-helixtrans-58.4-38.9174.1178.50000111.5I12 E14 D15 Y21 K22 L324 M326 M331I12-V18 HydrophobicContact CB-CG2 3.86Å; I12-V18 HydrophobicContact CG2-CG2 4.31Å; I12-V18 WeakPolarHBondContact O-CG2 3.42Å; E14-V18 PolarHBondContact O-N 3.02Å; D15-V18 PolarHBondContact O-N 3.46Å; V18-Y21 PolarHBondContact O-N 2.99Å; V18-K22 HydrophobicContact CG1-CD 4.25Å; V18-K22 HydrophobicContact CG1-CG 4.5Å; V18-K22 WeakPolarHBondContact O-CG 3.45Å; V18-K22 PolarHBondContact O-N 3.29Å; V18-L324 HydrophobicContact CG1-CD2 4.18Å; V18-L324 HydrophobicContact CG2-CD2 4.39Å; V18-M326 HydrophobicContact CG2-CE 4.11Å; V18-M326 HydrophobicContact CG2-SD 4.33Å; V18-M331 HydrophobicContact CG1-CE 3.96Å
19T98.4Very high97.7Very high64 Ų6444.2 Ų44.239%0.39323%0.234SC..Hα-helixtrans-64-45.1177.5-60.30000111.6D15 L16 V17 Y21 K22 M23D15-T19 WeakPolarHBondContact O-CB 3.31Å; D15-T19 PolarHBondContact O-N 3.35Å; D15-T19 PolarHBondContact O-OG1 2.94Å; L16-T19 WeakPolarHBondContact O-CB 3.43Å; L16-T19 PolarHBondContact O-N 2.91Å; V17-T19 PolarHBondContact O-N 2.97Å; T19-Y21 PolarHBondContact O-N 3.28Å; T19-K22 PolarHBondContact O-N 3.27Å; T19-M23 HydrophobicContact CG2-CG 4.4Å; T19-M23 HydrophobicContact CG2-SD 4Å; T19-M23 VanDerWaalsContact O-CG 3.3Å; T19-M23 WeakPolarHBondContact O-CG 3.48Å; T19-M23 PolarHBondContact O-N 3.47Å
20K98.7Very high98.3Very high10 Ų1045.4 Ų45.44%0.04324%0.235CC..Hα-helixtrans-60.4-45.4176.4-69.5169.9178.5175.40111.6L16 V17 M23 G24 F64 V114 D115 F117L16-K20 WeakPolarHBondContact O-CG 3.33Å; L16-K20 PolarHBondContact O-N 3.36Å; V17-K20 PolarHBondContact O-N 3.49Å; K20-M23 PolarHBondContact O-N 2.95Å; K20-G24 PolarHBondContact O-N 3.32Å; K20-F64 HydrophobicContact CG-CZ 4.33Å; K20-V114 HydrophobicContact CB-CB 4.32Å; K20-V114 HydrophobicContact CB-CG1 4.22Å; K20-V114 HydrophobicContact CG-CG1 4.15Å; K20-D115 HydrophobicContact CD-CB 3.96Å; K20-D115 IonicContact NZ-OD2 3.83Å; K20-D115 PolarHBondContact NZ-OD2 2.93Å; K20-F117 HydrophobicContact CB-CD2 3.94Å; K20-F117 HydrophobicContact CD-CD2 3.64Å; K20-F117 HydrophobicContact CD-CE2 3.71Å; K20-F117 HydrophobicContact CG-CD2 4.45Å
21Y98.8Very high98.4Very high5 Ų542.7 Ų42.72%0.0222%0.222CC..Hα-helixtrans-58.1-48173.3-89-68000112.6I12 V17 V18 T19 G24 G25 F117 I118 V223 L324 I333I12-Y21 HydrophobicContact CG2-CD2 3.68Å; I12-Y21 HydrophobicContact CG2-CE2 3.6Å; V17-Y21 HydrophobicContact CG1-CD2 3.89Å; V17-Y21 HydrophobicContact CG1-CE2 3.79Å; V17-Y21 WeakPolarHBondContact O-CD2 3.47Å; V17-Y21 PolarHBondContact O-N 3.04Å; V18-Y21 PolarHBondContact O-N 2.99Å; T19-Y21 PolarHBondContact O-N 3.28Å; Y21-G24 PolarHBondContact O-N 3.5Å; Y21-G25 PolarHBondContact O-N 3.09Å; Y21-F117 HydrophobicContact CD1-CB 4.07Å; Y21-F117 HydrophobicContact CD2-CB 3.99Å; Y21-F117 HydrophobicContact CD2-CD1 4.13Å; Y21-F117 HydrophobicContact CD2-CG 4.23Å; Y21-F117 HydrophobicContact CE1-CB 3.91Å; Y21-F117 HydrophobicContact CE2-CB 3.81Å; Y21-F117 AromaticContact CE2-CD1 3.37Å; Y21-F117 HydrophobicContact CE2-CD1 3.37Å; Y21-F117 HydrophobicContact CE2-CE1 4.25Å; Y21-F117 AromaticContact CE2-CG 3.87Å; Y21-F117 HydrophobicContact CE2-CG 3.87Å; Y21-F117 HydrophobicContact CG-CB 4.11Å; Y21-F117 AromaticContact CZ-CD1 3.66Å; Y21-I118 WeakPolarHBondContact CD1-O 3.44Å; Y21-I118 WeakPolarHBondContact CE1-O 3.4Å; Y21-V223 HydrophobicContact CD1-CG1 4.5Å; Y21-V223 HydrophobicContact CE1-CG1 3.84Å; Y21-V223 HydrophobicContact CE1-CG2 4.41Å; Y21-V223 HydrophobicContact CE2-CG2 3.99Å; Y21-L324 HydrophobicContact CD1-CD1 4.4Å; Y21-L324 HydrophobicContact CD2-CD2 4.39Å; Y21-L324 HydrophobicContact CG-CD1 4.32Å; Y21-L324 HydrophobicContact CG-CD2 4.39Å; Y21-I333 HydrophobicContact CD1-CD1 4.17Å; Y21-I333 WeakPolarHBondContact O-CD1 3.49Å
22K98.8Very high98.5Very high96 Ų9640.5 Ų40.542%0.41721%0.208SC..Hα-helixtrans-62.2-44.1178.7-77179.5177.8177.30112.2V18 T19 G24 G25 D26 I333V18-K22 HydrophobicContact CG1-CD 4.25Å; V18-K22 HydrophobicContact CG1-CG 4.5Å; V18-K22 WeakPolarHBondContact O-CG 3.45Å; V18-K22 PolarHBondContact O-N 3.29Å; T19-K22 PolarHBondContact O-N 3.27Å; K22-G24 PolarHBondContact O-N 2.94Å; K22-G25 PolarHBondContact O-N 3.43Å; K22-D26 WeakPolarHBondContact O-CB 3.45Å; K22-D26 VanDerWaalsContact O-CG 3.32Å; K22-D26 PolarHBondContact O-N 2.83Å; K22-I333 HydrophobicContact CG-CG2 4.22Å
23M98.7Very high98.5Very high52 Ų5245 Ų4526%0.25623%0.225SC..Hα-helixtrans-61.5-44.2177.2-70.8177.871.500111.7T19 K20 D26 I27 I63 F64T19-M23 HydrophobicContact CG2-CG 4.4Å; T19-M23 HydrophobicContact CG2-SD 4Å; T19-M23 VanDerWaalsContact O-CG 3.3Å; T19-M23 WeakPolarHBondContact O-CG 3.48Å; T19-M23 PolarHBondContact O-N 3.47Å; K20-M23 PolarHBondContact O-N 2.95Å; M23-D26 PolarHBondContact O-N 3.32Å; M23-I27 WeakPolarHBondContact O-CG1 3.27Å; M23-I27 PolarHBondContact O-N 3.23Å; M23-I27 VanDerWaalsContact O-N 3.11Å; M23-I63 HydrophobicContact CE-CB 3.65Å; M23-I63 HydrophobicContact CE-CD1 3.91Å; M23-I63 HydrophobicContact CE-CG1 4.38Å; M23-I63 HydrophobicContact CE-CG2 3.51Å; M23-F64 HydrophobicContact CE-CD2 4.18Å; M23-F64 HydrophobicContact CE-CE2 3.52Å; M23-F64 HydrophobicContact CE-CZ 4.11Å; M23-F64 HydrophobicContact SD-CE2 3.52Å; M23-F64 VanDerWaalsContact SD-CE2 3.52Å; M23-F64 HydrophobicContact SD-CZ 3.66Å
24G98.8Very high98.6Very high0 Ų043.8 Ų43.80%021%0.213CC..Hα-helixtrans-60.1-44.7172.800000112.2K20 Y21 K22 I27 A28K20-G24 PolarHBondContact O-N 3.32Å; Y21-G24 PolarHBondContact O-N 3.5Å; K22-G24 PolarHBondContact O-N 2.94Å; G24-I27 PolarHBondContact O-N 3.28Å; G24-A28 WeakPolarHBondContact O-CB 3.27Å; G24-A28 PolarHBondContact O-N 2.8Å
25G98.9Very high98.7Very high0 Ų039.5 Ų39.50%019%0.193CC..Hα-helixtrans-62.4-41.8177.600000113.5Y21 K22 A28 N29Y21-G25 PolarHBondContact O-N 3.09Å; K22-G25 PolarHBondContact O-N 3.43Å; G25-A28 PolarHBondContact O-N 2.78Å; G25-N29 VanDerWaalsContact O-CB 3.32Å; G25-N29 WeakPolarHBondContact O-CB 3.26Å; G25-N29 PolarHBondContact O-N 2.9Å; G25-N29 PolarHBondContact O-ND2 3.5Å
26D98.8Very high98.7Very high92 Ų9234 Ų3449%0.49217%0.165SC..Hα-helixtrans-64.7-40.7177.1-73.4-23.3000112K22 M23 R30K22-D26 WeakPolarHBondContact O-CB 3.45Å; K22-D26 VanDerWaalsContact O-CG 3.32Å; K22-D26 PolarHBondContact O-N 2.83Å; M23-D26 PolarHBondContact O-N 3.32Å; D26-R30 WeakPolarHBondContact O-CB 3.44Å; D26-R30 PolarHBondContact O-N 3.03Å
27I98.9Very high98.7Very high6 Ų637.2 Ų37.23%0.03118%0.177CC..Hα-helixtrans-63.1-51.3173.6-66.1169.9000109.7M23 G24 N29 R30 V31 E59 T60 I63 V112M23-I27 WeakPolarHBondContact O-CG1 3.27Å; M23-I27 PolarHBondContact O-N 3.23Å; M23-I27 VanDerWaalsContact O-N 3.11Å; G24-I27 PolarHBondContact O-N 3.28Å; I27-N29 VanDerWaalsContact C-N 3.32Å; I27-N29 PolarHBondContact O-N 2.87Å; I27-R30 PolarHBondContact O-N 3.06Å; I27-R30 VanDerWaalsContact O-N 3.1Å; I27-V31 HydrophobicContact CG2-CG2 4.26Å; I27-V31 WeakPolarHBondContact O-CG2 3.07Å; I27-V31 PolarHBondContact O-N 2.85Å; I27-E59 HydrophobicContact CD1-CB 4.25Å; I27-E59 HydrophobicContact CG1-CB 4.16Å; I27-E59 HydrophobicContact CG2-CB 3.61Å; I27-E59 HydrophobicContact CG2-CG 4.31Å; I27-T60 HydrophobicContact CD1-CG2 4.04Å; I27-I63 HydrophobicContact CD1-CD1 3.88Å; I27-V112 HydrophobicContact CB-CG1 4.38Å; I27-V112 HydrophobicContact CG2-CG1 4.25Å; I27-V112 HydrophobicContact CG2-CG2 4.07Å
28A98.9Very high98.8Very high0 Ų038.6 Ų38.60%019%0.188CC..Hα-helixtrans-56.2-46.1179.700000111.8G24 G25 R30 V31 L32 L110 V112 V121 T334G24-A28 WeakPolarHBondContact O-CB 3.27Å; G24-A28 PolarHBondContact O-N 2.8Å; G25-A28 PolarHBondContact O-N 2.78Å; A28-R30 VanDerWaalsContact C-N 3.34Å; A28-R30 PolarHBondContact O-N 3.06Å; A28-V31 PolarHBondContact O-N 3.46Å; A28-L32 VanDerWaalsContact O-CB 3.24Å; A28-L32 WeakPolarHBondContact O-CB 3.47Å; A28-L32 PolarHBondContact O-N 3.4Å; A28-L110 HydrophobicContact CB-CD1 3.83Å; A28-V112 HydrophobicContact CB-CB 4.42Å; A28-V112 HydrophobicContact CB-CG2 3.86Å; A28-V121 HydrophobicContact CB-CG1 3.94Å; A28-T334 HydrophobicContact CB-CG2 4.26Å
29N98.9Very high98.7Very high12 Ų1238.7 Ų38.76%0.06419%0.189CC..Hα-helixtrans-63.4-37177.8-69.3-31.2000112.7G25 I27 R33 I333 T334 S335G25-N29 VanDerWaalsContact O-CB 3.32Å; G25-N29 WeakPolarHBondContact O-CB 3.26Å; G25-N29 PolarHBondContact O-N 2.9Å; G25-N29 PolarHBondContact O-ND2 3.5Å; I27-N29 VanDerWaalsContact C-N 3.32Å; I27-N29 PolarHBondContact O-N 2.87Å; N29-R33 WeakPolarHBondContact O-CG 3.28Å; N29-R33 PolarHBondContact O-N 2.72Å; N29-R33 PolarHBondContact O-NH1 3.49Å; N29-R33 VanDerWaalsContact O-NH1 3.16Å; N29-I333 PolarHBondContact ND2-O 3.33Å; N29-T334 WeakPolarHBondContact OD1-CA 3.24Å; N29-T334 WeakPolarHBondContact OD1-CB 3.35Å; N29-S335 PolarHBondContact OD1-N 3.04Å; N29-S335 PolarHBondContact OD1-O 3.35Å
30R98.8Very high98.7Very high117 Ų11738.7 Ų38.744%0.44219%0.192SC..Hα-helixtrans-71.6-45.8179.2-167.1-174.6-51.9130.410.1111.4D26 I27 A28 R33 S34 E59D26-R30 WeakPolarHBondContact O-CB 3.44Å; D26-R30 PolarHBondContact O-N 3.03Å; I27-R30 PolarHBondContact O-N 3.06Å; I27-R30 VanDerWaalsContact O-N 3.1Å; A28-R30 VanDerWaalsContact C-N 3.34Å; A28-R30 PolarHBondContact O-N 3.06Å; R30-R33 PolarHBondContact O-N 2.93Å; R30-S34 PolarHBondContact O-N 2.62Å; R30-S34 VanDerWaalsContact O-N 3.09Å; R30-E59 IonicContact CZ-OE2 2.85Å; R30-E59 VanDerWaalsContact NH1-CD 3.33Å; R30-E59 IonicContact NH1-OE1 2.84Å; R30-E59 IonicContact NH1-OE2 3.42Å; R30-E59 PolarHBondContact NH1-OE2 3.37Å
31V98.9Very high98.7Very high1 Ų141.4 Ų41.41%0.00621%0.213CC..Hα-helixtrans-61.7-46.9176.5177.40000109.9I27 A28 R33 S34 L35 M55 I56 L110I27-V31 HydrophobicContact CG2-CG2 4.26Å; I27-V31 WeakPolarHBondContact O-CG2 3.07Å; I27-V31 PolarHBondContact O-N 2.85Å; A28-V31 PolarHBondContact O-N 3.46Å; V31-R33 PolarHBondContact O-N 3.17Å; V31-S34 PolarHBondContact O-N 2.98Å; V31-S34 VanDerWaalsContact O-N 3.15Å; V31-L35 HydrophobicContact CG1-CD1 4.07Å; V31-L35 HydrophobicContact CG1-CG 4.32Å; V31-L35 WeakPolarHBondContact O-CG 2.64Å; V31-L35 PolarHBondContact O-N 3.31Å; V31-M55 HydrophobicContact CG1-CB 4.19Å; V31-M55 HydrophobicContact CG2-CB 3.94Å; V31-I56 HydrophobicContact CB-CG1 4.45Å; V31-I56 HydrophobicContact CG1-CG1 4.17Å; V31-I56 HydrophobicContact CG2-CG1 4.05Å; V31-L110 HydrophobicContact CB-CD2 4.35Å; V31-L110 HydrophobicContact CG1-CD2 3.86Å
32L98.9Very high98.7Very high0 Ų043.7 Ų43.70%024%0.237CC..Hα-helixtrans-55.4-49.4177.7178.163.8000112.2A28 S34 L35 V36 I108 L110 V121 H123A28-L32 VanDerWaalsContact O-CB 3.24Å; A28-L32 WeakPolarHBondContact O-CB 3.47Å; A28-L32 PolarHBondContact O-N 3.4Å; L32-S34 VanDerWaalsContact C-N 3.33Å; L32-S34 PolarHBondContact O-N 3.32Å; L32-L35 PolarHBondContact O-N 2.86Å; L32-V36 HydrophobicContact CD1-CG2 4.36Å; L32-V36 WeakPolarHBondContact O-CG2 3.34Å; L32-V36 PolarHBondContact O-N 2.83Å; L32-I108 HydrophobicContact CD1-CB 3.83Å; L32-I108 HydrophobicContact CD1-CG2 3.66Å; L32-L110 HydrophobicContact CB-CD2 4.37Å; L32-V121 HydrophobicContact CB-CG1 4.27Å; L32-V121 HydrophobicContact CD2-CB 4.37Å; L32-V121 HydrophobicContact CD2-CG1 3.93Å; L32-V121 HydrophobicContact CD2-CG2 3.55Å; L32-H123 HydrophobicContact CD1-CB 4.15Å; L32-H123 HydrophobicContact CD2-CB 3.88Å; L32-H123 HydrophobicContact CG-CB 4.45Å
33R98.8Very high98.7Very high99 Ų9940.5 Ų40.537%0.37423%0.226SC..Hα-helixtrans-59.1-44.1177.5-74-176.4-168.693.4-1.1112N29 R30 V31 L35 V36 E37 P337N29-R33 WeakPolarHBondContact O-CG 3.28Å; N29-R33 PolarHBondContact O-N 2.72Å; N29-R33 PolarHBondContact O-NH1 3.49Å; N29-R33 VanDerWaalsContact O-NH1 3.16Å; R30-R33 PolarHBondContact O-N 2.93Å; V31-R33 PolarHBondContact O-N 3.17Å; R33-L35 VanDerWaalsContact C-N 3.28Å; R33-L35 PolarHBondContact O-N 3.45Å; R33-V36 PolarHBondContact O-N 3.32Å; R33-E37 WeakPolarHBondContact O-CB 3.46Å; R33-E37 WeakPolarHBondContact O-CG 3.12Å; R33-E37 PolarHBondContact O-N 2.86Å; R33-P337 HydrophobicContact CG-CB 4.32Å; R33-P337 HydrophobicContact CG-CG 4.16Å
34S98.8Very high98.7Very high31 Ų3139.4 Ų39.422%0.21722%0.224CC..Hα-helixtrans-63.2-34.4178.3-169.80000113R30 V31 L32 A38R30-S34 PolarHBondContact O-N 2.62Å; R30-S34 VanDerWaalsContact O-N 3.09Å; V31-S34 PolarHBondContact O-N 2.98Å; V31-S34 VanDerWaalsContact O-N 3.15Å; L32-S34 VanDerWaalsContact C-N 3.33Å; L32-S34 PolarHBondContact O-N 3.32Å; S34-A38 WeakPolarHBondContact O-CB 3.25Å; S34-A38 PolarHBondContact O-N 3Å
35L98.9Very high98.7Very high0 Ų039.4 Ų39.40%022%0.224CC..Hα-helixtrans-73.3-39.5175.4-65.4176.6000112.1V31 L32 R33 A38 S39 L48 K51 T78 I108 L110V31-L35 HydrophobicContact CG1-CD1 4.07Å; V31-L35 HydrophobicContact CG1-CG 4.32Å; V31-L35 WeakPolarHBondContact O-CG 2.64Å; V31-L35 PolarHBondContact O-N 3.31Å; L32-L35 PolarHBondContact O-N 2.86Å; R33-L35 VanDerWaalsContact C-N 3.28Å; R33-L35 PolarHBondContact O-N 3.45Å; L35-A38 PolarHBondContact O-N 3.34Å; L35-S39 PolarHBondContact O-N 2.86Å; L35-S39 VanDerWaalsContact O-N 3.13Å; L35-S39 PolarHBondContact O-OG 3.44Å; L35-L48 HydrophobicContact CD2-CD2 4.34Å; L35-L48 WeakPolarHBondContact CD2-O 3.21Å; L35-K51 HydrophobicContact CD2-CB 4.23Å; L35-K51 HydrophobicContact CD2-CD 4.12Å; L35-K51 HydrophobicContact CD2-CG 4.05Å; L35-T78 HydrophobicContact CD1-CG2 3.76Å; L35-I108 HydrophobicContact CB-CD1 3.85Å; L35-I108 HydrophobicContact CD1-CG2 4.01Å; L35-L110 HydrophobicContact CD1-CD2 3.93Å
36V98.7Very high98.7Very high26 Ų2640.8 Ų40.816%0.15823%0.23CC..Hα-helixtrans-59.7-49.3173.4172.60000110.3L32 R33 A38 S39 I108 F125 P337L32-V36 HydrophobicContact CD1-CG2 4.36Å; L32-V36 WeakPolarHBondContact O-CG2 3.34Å; L32-V36 PolarHBondContact O-N 2.83Å; R33-V36 PolarHBondContact O-N 3.32Å; V36-A38 VanDerWaalsContact C-N 3.28Å; V36-A38 PolarHBondContact O-N 3.27Å; V36-S39 WeakPolarHBondContact O-CB 3.21Å; V36-S39 PolarHBondContact O-N 3.39Å; V36-S39 VanDerWaalsContact O-N 3.1Å; V36-I108 HydrophobicContact CG2-CD1 4.08Å; V36-F125 HydrophobicContact CB-CE1 4.43Å; V36-F125 HydrophobicContact CG1-CD1 4.29Å; V36-F125 HydrophobicContact CG1-CD2 4.34Å; V36-F125 HydrophobicContact CG1-CE1 4.35Å; V36-F125 HydrophobicContact CG1-CE2 4.39Å; V36-F125 HydrophobicContact CG1-CG 4.3Å; V36-F125 HydrophobicContact CG1-CZ 4.41Å; V36-F125 HydrophobicContact CG2-CD1 4.05Å; V36-F125 HydrophobicContact CG2-CE1 3.88Å; V36-F125 HydrophobicContact CG2-CZ 4.49Å; V36-P337 HydrophobicContact CG1-CG 4.4Å; V36-P337 HydrophobicContact CG2-CG 4.38Å
37E98.4Very high98.7Very high161 Ų16138.9 Ų38.975%0.75222%0.224SC*.Hα-helixtrans-63.6-32178.3-71.5167.9-164.900113R33 S39R33-E37 WeakPolarHBondContact O-CB 3.46Å; R33-E37 WeakPolarHBondContact O-CG 3.12Å; R33-E37 PolarHBondContact O-N 2.86Å; E37-S39 VanDerWaalsContact C-N 3.29Å
38A98.5Very high98.7Very high28 Ų2838.8 Ų38.823%0.23122%0.224CC..THydrogen-bonded Turntrans-82.5-3.6177.300000113.9S34 L35 V36 S40 L48 K51S34-A38 WeakPolarHBondContact O-CB 3.25Å; S34-A38 PolarHBondContact O-N 3Å; L35-A38 PolarHBondContact O-N 3.34Å; V36-A38 VanDerWaalsContact C-N 3.28Å; V36-A38 PolarHBondContact O-N 3.27Å; A38-S40 PolarHBondContact O-N 3.31Å; A38-L48 HydrophobicContact CB-CD2 4.04Å; A38-K51 VanDerWaalsContact CB-NZ 3.29Å
39S98.4Very high98.7Very high12 Ų1238.8 Ų38.88%0.08422%0.224CC..  trans-90.4101.1-178.3-64.60000110.9L35 V36 E37L35-S39 PolarHBondContact O-N 2.86Å; L35-S39 VanDerWaalsContact O-N 3.13Å; L35-S39 PolarHBondContact O-OG 3.44Å; V36-S39 WeakPolarHBondContact O-CB 3.21Å; V36-S39 PolarHBondContact O-N 3.39Å; V36-S39 VanDerWaalsContact O-N 3.1Å; E37-S39 VanDerWaalsContact C-N 3.29Å
40S97.9Very high98.7Very high64 Ų6441.7 Ų41.745%0.44824%0.237SC..  trans-126.6166.1172.965.70000111.5A38 G42 V43A38-S40 PolarHBondContact O-N 3.31Å; S40-G42 PolarHBondContact O-N 2.9Å; S40-V43 WeakPolarHBondContact O-CB 3.42Å; S40-V43 VanDerWaalsContact O-CG2 3.32Å; S40-V43 WeakPolarHBondContact O-CG2 3.45Å; S40-V43 PolarHBondContact O-N 2.72Å; S40-V43 VanDerWaalsContact O-N 3.16Å; S40-V43 VanDerWaalsContact OG-CG2 3.31Å; S40-V43 WeakPolarHBondContact OG-CG2 3.43Å
41S98.4Very high98.7Very high68 Ų6840 Ų4048%0.47623%0.233SC..THydrogen-bonded Turntrans-53.3137.2170.5-171.30000110.2L100 E102S41-L100 CarbonylContact C-O 3.45Å; S41-L100 WeakPolarHBondContact CA-O 3.32Å; S41-E102 PolarHBondContact OG-N 3.22Å
42G98.4Very high98.7Very high52 Ų5239.9 Ų39.954%0.53623%0.233SC..THydrogen-bonded Turntrans87.6-6.5-176.900000115.4S40 L100S40-G42 PolarHBondContact O-N 2.9Å; G42-L100 PolarHBondContact N-O 3.46Å
43V98.8Very high98.7Very high30 Ų3040.8 Ų40.818%0.18224%0.237CC..  trans-80.6136.9-180177.70000111.2S40 L48 L100S40-V43 WeakPolarHBondContact O-CB 3.42Å; S40-V43 VanDerWaalsContact O-CG2 3.32Å; S40-V43 WeakPolarHBondContact O-CG2 3.45Å; S40-V43 PolarHBondContact O-N 2.72Å; S40-V43 VanDerWaalsContact O-N 3.16Å; S40-V43 VanDerWaalsContact OG-CG2 3.31Å; S40-V43 WeakPolarHBondContact OG-CG2 3.43Å; V43-L48 HydrophobicContact CG1-CD1 3.67Å; V43-L48 HydrophobicContact CG1-CD2 3.96Å; V43-L48 HydrophobicContact CG1-CG 3.61Å; V43-L100 HydrophobicContact CB-CD1 4.42Å; V43-L100 PolarHBondContact O-N 2.92Å
44S98.8Very high98.7Very high29 Ų2938.9 Ų38.920%0.20324%0.243CC..BIsolated β-bridgetrans-73.8128.7175.8153.90000111.4L46 S47 L48 D97S44-L46 PolarHBondContact OG-N 3.16Å; S44-S47 WeakPolarHBondContact CB-OG 3.2Å; S44-S47 PolarHBondContact O-N 2.88Å; S44-S47 PolarHBondContact O-OG 3.05Å; S44-S47 PolarHBondContact OG-N 2.83Å; S44-L48 PolarHBondContact O-N 3.38Å; S44-D97 WeakPolarHBondContact CB-OD2 3.46Å; S44-D97 PolarHBondContact OG-OD2 3.35Å
45V98.9Very high98.7Very high0 Ų039.3 Ų39.30%024%0.242CC..Hα-helixtrans-63.7-42.3174.7163.70000111.4S47 L48 C49 I80 V82 F89 P91 D97 Y98 L100V45-S47 VanDerWaalsContact C-N 3.29Å; V45-S47 PolarHBondContact O-N 2.99Å; V45-L48 PolarHBondContact O-N 2.93Å; V45-C49 PolarHBondContact O-N 3.1Å; V45-C49 PolarHBondContact O-SG 3.39Å; V45-I80 HydrophobicContact CG1-CB 3.81Å; V45-I80 HydrophobicContact CG1-CG2 4.17Å; V45-I80 HydrophobicContact CG2-CG2 4.07Å; V45-V82 HydrophobicContact CG2-CG2 4.42Å; V45-F89 HydrophobicContact CB-CE1 4.46Å; V45-F89 HydrophobicContact CG1-CD1 3.82Å; V45-F89 HydrophobicContact CG1-CE1 3.73Å; V45-P91 HydrophobicContact CG1-CG 4.21Å; V45-D97 PolarHBondContact N-OD1 2.82Å; V45-Y98 WeakPolarHBondContact CB-O 3.34Å; V45-Y98 HydrophobicContact CG2-CD1 4.11Å; V45-Y98 WeakPolarHBondContact CG2-O 3.43Å; V45-Y98 PolarHBondContact N-O 2.94Å; V45-L100 HydrophobicContact CG2-CD2 3.81Å; V45-L100 HydrophobicContact CG2-CG 4.2Å
46L98.8Very high98.7Very high28 Ų2839.3 Ų39.315%0.14724%0.242CC..Hα-helixtrans-53-47.6173.2174.561.7000111.6S44 L48 C49 E50 P91 D97S44-L46 PolarHBondContact OG-N 3.16Å; L46-L48 VanDerWaalsContact C-N 3.31Å; L46-L48 PolarHBondContact O-N 2.86Å; L46-C49 WeakPolarHBondContact O-CB 3.45Å; L46-C49 PolarHBondContact O-N 3.02Å; L46-E50 HydrophobicContact CD1-CG 4.29Å; L46-E50 PolarHBondContact O-N 3.2Å; L46-P91 HydrophobicContact CB-CG 4Å; L46-P91 HydrophobicContact CD1-CG 4.32Å; L46-P91 WeakPolarHBondContact CD1-O 3.28Å; L46-D97 HydrophobicContact CB-CB 4.45Å; L46-D97 WeakPolarHBondContact CB-OD1 3.48Å; L46-D97 PolarHBondContact N-OD1 2.73Å
47S98.8Very high98.7Very high52 Ų5242.9 Ų42.936%0.36426%0.258SS..Hα-helixtrans-63.5-36-178.9770000112.9S44 V45 K51S44-S47 WeakPolarHBondContact CB-OG 3.2Å; S44-S47 PolarHBondContact O-N 2.88Å; S44-S47 PolarHBondContact O-OG 3.05Å; S44-S47 PolarHBondContact OG-N 2.83Å; V45-S47 VanDerWaalsContact C-N 3.29Å; V45-S47 PolarHBondContact O-N 2.99Å; S47-K51 VanDerWaalsContact O-CB 3.28Å; S47-K51 WeakPolarHBondContact O-CB 3.49Å; S47-K51 PolarHBondContact O-N 3.13Å
48L98.9Very high98.7Very high4 Ų440.7 Ų40.72%0.02125%0.248CC..Hα-helixtrans-70.5-39.7176.1-71.6171.1000111.5L35 A38 V43 S44 V45 L46 K51 G52 I80 L100L35-L48 HydrophobicContact CD2-CD2 4.34Å; L35-L48 WeakPolarHBondContact CD2-O 3.21Å; A38-L48 HydrophobicContact CB-CD2 4.04Å; V43-L48 HydrophobicContact CG1-CD1 3.67Å; V43-L48 HydrophobicContact CG1-CD2 3.96Å; V43-L48 HydrophobicContact CG1-CG 3.61Å; S44-L48 PolarHBondContact O-N 3.38Å; V45-L48 PolarHBondContact O-N 2.93Å; L46-L48 VanDerWaalsContact C-N 3.31Å; L46-L48 PolarHBondContact O-N 2.86Å; L48-K51 PolarHBondContact O-N 3.06Å; L48-G52 PolarHBondContact O-N 3.16Å; L48-I80 HydrophobicContact CB-CD1 3.26Å; L48-I80 HydrophobicContact CD1-CD1 4.02Å; L48-I80 HydrophobicContact CG-CD1 4.29Å; L48-L100 HydrophobicContact CD1-CD1 3.8Å
49C98.9Very high98.7Very high0 Ų041 Ų410%024%0.244CC..Hα-helixtrans-61.8-46.4174-710000111.7V45 L46 G52 D53 T78V45-C49 PolarHBondContact O-N 3.1Å; V45-C49 PolarHBondContact O-SG 3.39Å; L46-C49 WeakPolarHBondContact O-CB 3.45Å; L46-C49 PolarHBondContact O-N 3.02Å; C49-G52 PolarHBondContact O-N 3.23Å; C49-D53 PolarHBondContact O-N 3.4Å; C49-D53 VanDerWaalsContact O-N 3.11Å; C49-T78 PolarHBondContact SG-O 3.11Å; C49-T78 VanDerWaalsContact SG-O 3.41Å
50E98.8Very high98.7Very high73 Ų7340.5 Ų40.534%0.34124%0.241SC..Hα-helixtrans-62-42.6175.4-72-174.9146.700111.9L46 A54 K93L46-E50 HydrophobicContact CD1-CG 4.29Å; L46-E50 PolarHBondContact O-N 3.2Å; E50-A54 VanDerWaalsContact O-CB 3.27Å; E50-A54 WeakPolarHBondContact O-CB 3.46Å; E50-A54 PolarHBondContact O-N 2.91Å; E50-K93 WeakPolarHBondContact OE1-CE 3.22Å; E50-K93 IonicContact OE1-NZ 2.71Å
51K98.9Very high98.7Very high81 Ų8139.3 Ų39.335%0.35224%0.239SC..Hα-helixtrans-60.2-47175.5178.3177.4176-1790111.8L35 A38 S47 L48 A54 M55L35-K51 HydrophobicContact CD2-CB 4.23Å; L35-K51 HydrophobicContact CD2-CD 4.12Å; L35-K51 HydrophobicContact CD2-CG 4.05Å; A38-K51 VanDerWaalsContact CB-NZ 3.29Å; S47-K51 VanDerWaalsContact O-CB 3.28Å; S47-K51 WeakPolarHBondContact O-CB 3.49Å; S47-K51 PolarHBondContact O-N 3.13Å; L48-K51 PolarHBondContact O-N 3.06Å; K51-A54 PolarHBondContact O-N 3.38Å; K51-M55 HydrophobicContact CG-CG 4.42Å; K51-M55 HydrophobicContact CG-SD 3.97Å; K51-M55 WeakPolarHBondContact O-CB 3.46Å; K51-M55 VanDerWaalsContact O-CG 3.26Å; K51-M55 WeakPolarHBondContact O-CG 3.32Å; K51-M55 PolarHBondContact O-N 3.37Å
52G98.9Very high98.7Very high0 Ų040.5 Ų40.50%024%0.236CC..Hα-helixtrans-59.9-50.5-179.300000112.2L48 C49 A54 M55 I56 T78L48-G52 PolarHBondContact O-N 3.16Å; C49-G52 PolarHBondContact O-N 3.23Å; G52-A54 PolarHBondContact O-N 2.96Å; G52-M55 PolarHBondContact O-N 3.26Å; G52-I56 WeakPolarHBondContact O-CG1 3.34Å; G52-I56 PolarHBondContact O-N 3.11Å; G52-T78 WeakPolarHBondContact CA-OG1 3.36Å
53D98.9Very high98.7Very high18 Ų1839.5 Ų39.510%0.09622%0.218CC..Hα-helixtrans-62.2-43.1179.3-68-11.2000111.6C49 I56 M57 I74 T78 R281C49-D53 PolarHBondContact O-N 3.4Å; C49-D53 VanDerWaalsContact O-N 3.11Å; D53-I56 PolarHBondContact O-N 3.43Å; D53-M57 WeakPolarHBondContact O-CG 3.39Å; D53-M57 PolarHBondContact O-N 2.98Å; D53-M57 VanDerWaalsContact O-N 3.1Å; D53-I74 HydrophobicContact CB-CD1 3.73Å; D53-T78 PolarHBondContact N-OG1 3.28Å; D53-T78 VanDerWaalsContact OD1-CB 3.28Å; D53-T78 WeakPolarHBondContact OD1-CB 3.36Å; D53-T78 PolarHBondContact OD1-N 2.77Å; D53-T78 PolarHBondContact OD1-OG1 3.44Å; D53-R281 IonicContact OD2-CZ 3.1Å; D53-R281 IonicContact OD2-NH2 3.9Å; D53-R281 PolarHBondContact OD2-NH2 2.91Å
54A98.9Very high98.5Very high60 Ų6040.1 Ų40.150%0.49622%0.218SC..Hα-helixtrans-61.7-44.9177.300000112E50 K51 G52 I56 M57 E58E50-A54 VanDerWaalsContact O-CB 3.27Å; E50-A54 WeakPolarHBondContact O-CB 3.46Å; E50-A54 PolarHBondContact O-N 2.91Å; K51-A54 PolarHBondContact O-N 3.38Å; G52-A54 PolarHBondContact O-N 2.96Å; A54-I56 PolarHBondContact O-N 3.38Å; A54-M57 PolarHBondContact O-N 3.16Å; A54-E58 WeakPolarHBondContact O-CB 3.4Å; A54-E58 PolarHBondContact O-N 3.41Å
55M98.9Very high98.4Very high40 Ų4045.8 Ų45.820%0.19724%0.239CC..Hα-helixtrans-63.8-39.6177.9-71.6-179.46900112.1V31 K51 G52 E58 E59V31-M55 HydrophobicContact CG1-CB 4.19Å; V31-M55 HydrophobicContact CG2-CB 3.94Å; K51-M55 HydrophobicContact CG-CG 4.42Å; K51-M55 HydrophobicContact CG-SD 3.97Å; K51-M55 WeakPolarHBondContact O-CB 3.46Å; K51-M55 VanDerWaalsContact O-CG 3.26Å; K51-M55 WeakPolarHBondContact O-CG 3.32Å; K51-M55 PolarHBondContact O-N 3.37Å; G52-M55 PolarHBondContact O-N 3.26Å; M55-E58 PolarHBondContact O-N 3.46Å; M55-E59 WeakPolarHBondContact O-CB 3.29Å; M55-E59 WeakPolarHBondContact O-CG 3.4Å; M55-E59 PolarHBondContact O-N 3.21Å
56I98.9Very high98.3Very high0 Ų055.6 Ų55.60%028%0.282CS..Hα-helixtrans-60.3-47.5175.5-68.7167.1000110.4V31 G52 D53 A54 E58 E59 T60 I74 L110 V112V31-I56 HydrophobicContact CB-CG1 4.45Å; V31-I56 HydrophobicContact CG1-CG1 4.17Å; V31-I56 HydrophobicContact CG2-CG1 4.05Å; G52-I56 WeakPolarHBondContact O-CG1 3.34Å; G52-I56 PolarHBondContact O-N 3.11Å; D53-I56 PolarHBondContact O-N 3.43Å; A54-I56 PolarHBondContact O-N 3.38Å; I56-E58 PolarHBondContact O-N 3.1Å; I56-E59 PolarHBondContact O-N 3.32Å; I56-T60 HydrophobicContact CG2-CG2 4.28Å; I56-T60 WeakPolarHBondContact O-CB 3.38Å; I56-T60 VanDerWaalsContact O-CG2 3.31Å; I56-T60 WeakPolarHBondContact O-CG2 3.3Å; I56-T60 PolarHBondContact O-N 3.23Å; I56-T60 PolarHBondContact O-OG1 3.17Å; I56-I74 HydrophobicContact CB-CG1 4.05Å; I56-I74 HydrophobicContact CD1-CG1 4.39Å; I56-I74 HydrophobicContact CG2-CB 4.44Å; I56-I74 HydrophobicContact CG2-CG1 3.65Å; I56-L110 HydrophobicContact CD1-CB 4.31Å; I56-L110 HydrophobicContact CD1-CD1 4.3Å; I56-V112 HydrophobicContact CD1-CG2 4.21Å; I56-V112 HydrophobicContact CG1-CG2 4.01Å; I56-V112 HydrophobicContact CG2-CG1 4.43Å; I56-V112 HydrophobicContact CG2-CG2 3.93Å
57M98.7Very high98.1Very high100 Ų10058.8 Ų58.849%0.49330%0.296SS..Hα-helixtrans-64.6-39.5179.4-66.9-53.4-65.400112.1D53 A54 T60 G61 I74D53-M57 WeakPolarHBondContact O-CG 3.39Å; D53-M57 PolarHBondContact O-N 2.98Å; D53-M57 VanDerWaalsContact O-N 3.1Å; A54-M57 PolarHBondContact O-N 3.16Å; M57-T60 PolarHBondContact O-OG1 3.33Å; M57-G61 PolarHBondContact O-N 3.01Å; M57-I74 HydrophobicContact CG-CD1 4.03Å; M57-I74 HydrophobicContact CG-CG1 4.31Å; M57-I74 HydrophobicContact SD-CD1 4.08Å; M57-I74 HydrophobicContact SD-CG1 3.94Å
58E98.7Very high97.8Very high115 Ų11565.2 Ų65.254%0.53732%0.317SS..Hα-helixtrans-63.8-48.7176.6-164.3-161.5137.300111.7A54 M55 I56 G61 K62A54-E58 WeakPolarHBondContact O-CB 3.4Å; A54-E58 PolarHBondContact O-N 3.41Å; M55-E58 PolarHBondContact O-N 3.46Å; I56-E58 PolarHBondContact O-N 3.1Å; E58-G61 PolarHBondContact O-N 2.97Å; E58-K62 WeakPolarHBondContact O-CG 3.46Å; E58-K62 PolarHBondContact O-N 3.29Å; E58-K62 WeakPolarHBondContact OE1-CE 3.47Å; E58-K62 IonicContact OE1-NZ 3.32Å; E58-K62 PolarHBondContact OE1-NZ 3.05Å
59E98.7Very high97.5Very high34 Ų3473.3 Ų73.316%0.15936%0.355CS..Hα-helixtrans-68.1-42.5-178-73.3-61.7143.100112.7I27 R30 M55 I56 G61 K62I27-E59 HydrophobicContact CD1-CB 4.25Å; I27-E59 HydrophobicContact CG1-CB 4.16Å; I27-E59 HydrophobicContact CG2-CB 3.61Å; I27-E59 HydrophobicContact CG2-CG 4.31Å; R30-E59 IonicContact CZ-OE2 2.85Å; R30-E59 VanDerWaalsContact NH1-CD 3.33Å; R30-E59 IonicContact NH1-OE1 2.84Å; R30-E59 IonicContact NH1-OE2 3.42Å; R30-E59 PolarHBondContact NH1-OE2 3.37Å; M55-E59 WeakPolarHBondContact O-CB 3.29Å; M55-E59 WeakPolarHBondContact O-CG 3.4Å; M55-E59 PolarHBondContact O-N 3.21Å; I56-E59 PolarHBondContact O-N 3.32Å; E59-G61 VanDerWaalsContact C-N 3.28Å; E59-G61 PolarHBondContact O-N 3.04Å; E59-K62 WeakPolarHBondContact O-CB 3.15Å; E59-K62 PolarHBondContact O-N 3.04Å; E59-K62 VanDerWaalsContact O-N 3.08Å; E59-K62 IonicContact OE1-NZ 2.64Å; E59-K62 PolarHBondContact OE1-NZ 2.83Å
60T98.3Very high97.4Very high2 Ų274.3 Ų74.31%0.01236%0.36CS..Hα-helixtrans-67.4-30.117654.30000112.1I27 I56 M57 K62 I63 K72 V112I27-T60 HydrophobicContact CD1-CG2 4.04Å; I56-T60 HydrophobicContact CG2-CG2 4.28Å; I56-T60 WeakPolarHBondContact O-CB 3.38Å; I56-T60 VanDerWaalsContact O-CG2 3.31Å; I56-T60 WeakPolarHBondContact O-CG2 3.3Å; I56-T60 PolarHBondContact O-N 3.23Å; I56-T60 PolarHBondContact O-OG1 3.17Å; M57-T60 PolarHBondContact O-OG1 3.33Å; T60-K62 PolarHBondContact O-N 3.05Å; T60-I63 VanDerWaalsContact O-CG1 3.24Å; T60-I63 WeakPolarHBondContact O-CG1 3.41Å; T60-I63 PolarHBondContact O-N 3.41Å; T60-K72 VanDerWaalsContact O-CD 3.32Å; T60-K72 WeakPolarHBondContact O-CD 3.07Å; T60-K72 VanDerWaalsContact O-CE 3.25Å; T60-K72 WeakPolarHBondContact O-CE 3.14Å; T60-V112 HydrophobicContact CG2-CG1 3.66Å
61G97.9Very high97.3Very high40 Ų4075.7 Ų75.741%0.41237%0.365SS..Hα-helixtrans-65.6-19.7170.900000114.4M57 E58 E59 K65M57-G61 PolarHBondContact O-N 3.01Å; E58-G61 PolarHBondContact O-N 2.97Å; E59-G61 VanDerWaalsContact C-N 3.28Å; E59-G61 PolarHBondContact O-N 3.04Å; G61-K65 VanDerWaalsContact O-CE 3.25Å; G61-K65 WeakPolarHBondContact O-CE 3.47Å
62K98Very high97.3Very high93 Ų9374.1 Ų74.140%0.40436%0.358SS..Hα-helixtrans-80.3-24179.4-67.5167.8-165.8171.80113.3E58 E59 T60 K65E58-K62 WeakPolarHBondContact O-CG 3.46Å; E58-K62 PolarHBondContact O-N 3.29Å; E58-K62 WeakPolarHBondContact OE1-CE 3.47Å; E58-K62 IonicContact OE1-NZ 3.32Å; E58-K62 PolarHBondContact OE1-NZ 3.05Å; E59-K62 WeakPolarHBondContact O-CB 3.15Å; E59-K62 PolarHBondContact O-N 3.04Å; E59-K62 VanDerWaalsContact O-N 3.08Å; E59-K62 IonicContact OE1-NZ 2.64Å; E59-K62 PolarHBondContact OE1-NZ 2.83Å; T60-K62 PolarHBondContact O-N 3.05Å; K62-K65 VanDerWaalsContact O-CE 3.28Å; K62-K65 WeakPolarHBondContact O-CE 3.21Å
63I97.7Very high97.3Very high30 Ų3074.2 Ų74.215%0.15436%0.359CS..SBendtrans-100.6157.3-175.561.1169000111.7M23 I27 T60 K65 K72 V114M23-I63 HydrophobicContact CE-CB 3.65Å; M23-I63 HydrophobicContact CE-CD1 3.91Å; M23-I63 HydrophobicContact CE-CG1 4.38Å; M23-I63 HydrophobicContact CE-CG2 3.51Å; I27-I63 HydrophobicContact CD1-CD1 3.88Å; T60-I63 VanDerWaalsContact O-CG1 3.24Å; T60-I63 WeakPolarHBondContact O-CG1 3.41Å; T60-I63 PolarHBondContact O-N 3.41Å; I63-K65 VanDerWaalsContact C-N 3.26Å; I63-K65 PolarHBondContact O-N 3.05Å; I63-K65 VanDerWaalsContact O-N 3.08Å; I63-K72 HydrophobicContact CG1-CD 4.47Å; I63-K72 PolarHBondContact O-NZ 2.9Å; I63-V114 HydrophobicContact CD1-CG1 4.32Å; I63-V114 HydrophobicContact CD1-CG2 3.76Å
64F95.9Very high97.3Very high43 Ų4375.2 Ų75.219%0.18936%0.364CS..  trans47.939.8176-60.4-78.5000115K20 M23 K66 E67 M70 K72 V114K20-F64 HydrophobicContact CG-CZ 4.33Å; M23-F64 HydrophobicContact CE-CD2 4.18Å; M23-F64 HydrophobicContact CE-CE2 3.52Å; M23-F64 HydrophobicContact CE-CZ 4.11Å; M23-F64 HydrophobicContact SD-CE2 3.52Å; M23-F64 VanDerWaalsContact SD-CE2 3.52Å; M23-F64 HydrophobicContact SD-CZ 3.66Å; F64-K66 PolarHBondContact O-N 3.03Å; F64-E67 WeakPolarHBondContact CD1-OE1 3.4Å; F64-E67 PolarHBondContact O-N 3.09Å; F64-M70 HydrophobicContact CB-SD 3.65Å; F64-M70 HydrophobicContact CD1-CE 4.13Å; F64-M70 HydrophobicContact CD1-SD 4.01Å; F64-M70 HydrophobicContact CD2-SD 3.87Å; F64-M70 HydrophobicContact CG-CE 4.31Å; F64-M70 HydrophobicContact CG-SD 3.57Å; F64-M70 VanDerWaalsContact CG-SD 3.57Å; F64-K72 PolarHBondContact O-NZ 3.02Å; F64-V114 HydrophobicContact CD2-CG1 3.85Å; F64-V114 HydrophobicContact CE2-CG1 3.67Å
65K95.8Very high97.2Very high148 Ų14872.4 Ų72.464%0.64334%0.34SS*.THydrogen-bonded Turntrans-65.7-23.9-175.9-65-174.8-179.2-177.10114.3G61 K62 I63 E67G61-K65 VanDerWaalsContact O-CE 3.25Å; G61-K65 WeakPolarHBondContact O-CE 3.47Å; K62-K65 VanDerWaalsContact O-CE 3.28Å; K62-K65 WeakPolarHBondContact O-CE 3.21Å; I63-K65 VanDerWaalsContact C-N 3.26Å; I63-K65 PolarHBondContact O-N 3.05Å; I63-K65 VanDerWaalsContact O-N 3.08Å; K65-E67 VanDerWaalsContact C-N 3.32Å
66K96.4Very high97.3Very high206 Ų20670.9 Ų70.990%0.89633%0.333SS*.THydrogen-bonded Turntrans-78.1-20.6179.3-64.8-175.3179.5-179.70112.3F64 K68F64-K66 PolarHBondContact O-N 3.03Å; K66-K68 PolarHBondContact O-N 2.95Å
67E95.3Very high97.3Very high95 Ų9571 Ų7144%0.44433%0.333SS..  trans-98.686.1-178.5-66.3172.8-124.800109.1F64 K65 E69 M70F64-E67 WeakPolarHBondContact CD1-OE1 3.4Å; F64-E67 PolarHBondContact O-N 3.09Å; K65-E67 VanDerWaalsContact C-N 3.32Å; E67-E69 VanDerWaalsContact C-N 3.3Å; E67-E69 PolarHBondContact O-N 3.4Å; E67-M70 HydrophobicContact CB-CB 4.01Å; E67-M70 PolarHBondContact O-N 3.09Å; E67-M70 WeakPolarHBondContact OE2-CE 3.33Å
68K92.1Very high97.3Very high187 Ų18766.2 Ų66.281%0.81331%0.31SS*.THydrogen-bonded Turntrans-66-29.6-170.7-65.9-175178.8-179.40114.1K66K66-K68 PolarHBondContact O-N 2.95Å
69E93.8Very high97.3Very high175 Ų17560.8 Ų60.882%0.81829%0.285SS*.THydrogen-bonded Turntrans-90-7.5-177.7-55.8-54.3135.200113.1E67 K71E67-E69 VanDerWaalsContact C-N 3.3Å; E67-E69 PolarHBondContact O-N 3.4Å; E69-K71 PolarHBondContact O-N 3.23Å
70M96.3Very high97.3Very high20 Ų2059.1 Ų59.110%0.09928%0.277CS..  trans-69.8118-179179.3-179.7-79.900110.8F64 E67 K72 V114 D115F64-M70 HydrophobicContact CB-SD 3.65Å; F64-M70 HydrophobicContact CD1-CE 4.13Å; F64-M70 HydrophobicContact CD1-SD 4.01Å; F64-M70 HydrophobicContact CD2-SD 3.87Å; F64-M70 HydrophobicContact CG-CE 4.31Å; F64-M70 HydrophobicContact CG-SD 3.57Å; F64-M70 VanDerWaalsContact CG-SD 3.57Å; E67-M70 HydrophobicContact CB-CB 4.01Å; E67-M70 PolarHBondContact O-N 3.09Å; E67-M70 WeakPolarHBondContact OE2-CE 3.33Å; M70-K72 PolarHBondContact O-N 3.22Å; M70-V114 HydrophobicContact SD-CG1 4.12Å; M70-D115 HydrophobicContact CE-CB 3.99Å; M70-D115 HydrophobicContact CG-CB 3.86Å; M70-D115 HydrophobicContact SD-CB 4.11Å
71K96.8Very high97.3Very high102 Ų10259.1 Ų59.144%0.44328%0.277SS..  trans-72.4125.7175.9-60.5-174.7-171.3-178.20110.4E69 D115 D274E69-K71 PolarHBondContact O-N 3.23Å; K71-D115 WeakPolarHBondContact O-CA 3.47Å; K71-D115 PolarHBondContact O-N 2.85Å; K71-D274 IonicContact NZ-OD2 2.6Å; K71-D274 PolarHBondContact NZ-OD2 3.31Å
72K98.1Very high97.4Very high49 Ų4957.8 Ų57.821%0.21326%0.261CS..EExtended strand (participates in β ladder)trans-153.5149.9177.662.3-161.1174-160.60110.3T60 I63 F64 M70 H113T60-K72 VanDerWaalsContact O-CD 3.32Å; T60-K72 WeakPolarHBondContact O-CD 3.07Å; T60-K72 VanDerWaalsContact O-CE 3.25Å; T60-K72 WeakPolarHBondContact O-CE 3.14Å; I63-K72 HydrophobicContact CG1-CD 4.47Å; I63-K72 PolarHBondContact O-NZ 2.9Å; F64-K72 PolarHBondContact O-NZ 3.02Å; M70-K72 PolarHBondContact O-N 3.22Å; K72-H113 WeakPolarHBondContact CA-O 3.34Å
73G98.6Very high97.4Very high2 Ų254.6 Ų54.62%0.02125%0.248CC..EExtended strand (participates in β ladder)trans149.6-143.9-177.900000112.6V112 H113G73-V112 WeakPolarHBondContact O-CA 3.42Å; G73-H113 PolarHBondContact N-NE2 3.43Å; G73-H113 PolarHBondContact N-O 3.31Å; G73-H113 PolarHBondContact O-CD2 3.24Å; G73-H113 PolarHBondContact O-N 2.9Å
74I98.9Very high97.5Very high39 Ų3955 Ų5520%0.225%0.25CS..EExtended strand (participates in β ladder)trans-75.3121.8-178.2-61.3166.8000109.5D53 I56 M57 F76 P77 H113D53-I74 HydrophobicContact CB-CD1 3.73Å; I56-I74 HydrophobicContact CB-CG1 4.05Å; I56-I74 HydrophobicContact CD1-CG1 4.39Å; I56-I74 HydrophobicContact CG2-CB 4.44Å; I56-I74 HydrophobicContact CG2-CG1 3.65Å; M57-I74 HydrophobicContact CG-CD1 4.03Å; M57-I74 HydrophobicContact CG-CG1 4.31Å; M57-I74 HydrophobicContact SD-CD1 4.08Å; M57-I74 HydrophobicContact SD-CG1 3.94Å; I74-F76 VanDerWaalsContact CG2-C 3.49Å; I74-F76 WeakPolarHBondContact CG2-O 3.3Å; I74-P77 HydrophobicContact CG2-CB 4.42Å; I74-H113 PolarHBondContact O-CD2 3.21Å
75A98.8Very high97.6Very high0 Ų053.2 Ų53.20%024%0.243CC..EExtended strand (participates in β ladder)trans-95.5-28.6170.800000112.2G111 H113 I118 M276 P277A75-G111 PolarHBondContact N-O 3.39Å; A75-H113 HydrophobicContact CB-CB 3.9Å; A75-I118 HydrophobicContact CB-CB 4.47Å; A75-I118 HydrophobicContact CB-CG1 4.17Å; A75-I118 HydrophobicContact CB-CG2 3.79Å; A75-M276 HydrophobicContact CB-SD 4.16Å; A75-P277 VanDerWaalsContact O-CD 3.25Å; A75-P277 WeakPolarHBondContact O-CD 3.49Å
76F98.9Very high97.7Very high8 Ų846.1 Ų46.14%0.03521%0.213CC..EExtended strand (participates in β ladder)trans-145.4125.4171.4-165.2-92.6000107.9I74 H88 G111 I246 P277 F305I74-F76 VanDerWaalsContact CG2-C 3.49Å; I74-F76 WeakPolarHBondContact CG2-O 3.3Å; F76-H88 AromaticContact CZ-CD2 3.77Å; F76-G111 PolarHBondContact N-O 2.66Å; F76-G111 PolarHBondContact O-N 3.34Å; F76-I246 HydrophobicContact CE1-CD1 4.32Å; F76-I246 HydrophobicContact CE2-CG2 4.38Å; F76-I246 HydrophobicContact CZ-CD1 4.27Å; F76-I246 HydrophobicContact CZ-CG2 4.42Å; F76-P277 HydrophobicContact CD2-CB 3.8Å; F76-P277 HydrophobicContact CD2-CG 3.96Å; F76-P277 HydrophobicContact CE2-CB 4.21Å; F76-P277 HydrophobicContact CE2-CG 4.46Å; F76-F305 AromaticContact CE2-CD1 3.67Å; F76-F305 HydrophobicContact CE2-CD1 3.67Å; F76-F305 AromaticContact CE2-CE1 3.76Å; F76-F305 HydrophobicContact CE2-CE1 3.76Å; F76-F305 HydrophobicContact CE2-CG 4.29Å; F76-F305 HydrophobicContact CE2-CZ 4.45Å; F76-F305 HydrophobicContact CZ-CD1 4.09Å
77P98.9Very high97.8Very high2 Ų236.5 Ų36.51%0.01317%0.171CC..EExtended strand (participates in β ladder)trans-65147.7-175.428.2-35.2000111I74 S79 I246 T279I74-P77 HydrophobicContact CG2-CB 4.42Å; P77-S79 PolarHBondContact O-N 2.81Å; P77-S79 VanDerWaalsContact O-N 3.15Å; P77-S79 PolarHBondContact O-OG 2.68Å; P77-S79 VanDerWaalsContact O-OG 3.06Å; P77-I246 HydrophobicContact CG-CB 4.42Å; P77-I246 HydrophobicContact CG-CD1 3.81Å; P77-I246 HydrophobicContact CG-CG1 3.76Å; P77-I246 HydrophobicContact CG-CG2 3.82Å; P77-T279 HydrophobicContact CB-CG2 3.87Å
78T98.9Very high98Very high0 Ų033.5 Ų33.50%016%0.157CC..EExtended strand (participates in β ladder)trans-56.9123.2179.2-51.30000109.5L35 C49 G52 D53 I80 S90 D109L35-T78 HydrophobicContact CD1-CG2 3.76Å; C49-T78 PolarHBondContact SG-O 3.11Å; C49-T78 VanDerWaalsContact SG-O 3.41Å; G52-T78 WeakPolarHBondContact CA-OG1 3.36Å; D53-T78 PolarHBondContact N-OG1 3.28Å; D53-T78 VanDerWaalsContact OD1-CB 3.28Å; D53-T78 WeakPolarHBondContact OD1-CB 3.36Å; D53-T78 PolarHBondContact OD1-N 2.77Å; D53-T78 PolarHBondContact OD1-OG1 3.44Å; T78-I80 HydrophobicContact CG2-CG1 4.39Å; T78-S90 WeakPolarHBondContact O-CB 3.47Å; T78-S90 PolarHBondContact O-OG 3.18Å; T78-D109 WeakPolarHBondContact CA-O 3.04Å
79S98.9Very high98.3Very high1 Ų125.4 Ų25.41%0.00712%0.122CC..EExtended strand (participates in β ladder)trans-127.3135.2-178.4-58.80000109.1P77 F89 I108 D109 I246P77-S79 PolarHBondContact O-N 2.81Å; P77-S79 VanDerWaalsContact O-N 3.15Å; P77-S79 PolarHBondContact O-OG 2.68Å; P77-S79 VanDerWaalsContact O-OG 3.06Å; S79-F89 WeakPolarHBondContact CA-O 3.44Å; S79-I108 WeakPolarHBondContact O-CA 3.36Å; S79-D109 PolarHBondContact N-O 2.54Å; S79-D109 PolarHBondContact O-N 3.02Å; S79-I246 VanDerWaalsContact OG-CD1 3.23Å; S79-I246 WeakPolarHBondContact OG-CD1 3.48Å
80I98.9Very high98.6Very high0 Ų017.1 Ų17.10%08%0.083CC..EExtended strand (participates in β ladder)trans-132.8102.9-175.3-57.2178.9000109.5V45 L48 T78 F89 V106 K107 I108V45-I80 HydrophobicContact CG1-CB 3.81Å; V45-I80 HydrophobicContact CG1-CG2 4.17Å; V45-I80 HydrophobicContact CG2-CG2 4.07Å; L48-I80 HydrophobicContact CB-CD1 3.26Å; L48-I80 HydrophobicContact CD1-CD1 4.02Å; L48-I80 HydrophobicContact CG-CD1 4.29Å; T78-I80 HydrophobicContact CG2-CG1 4.39Å; I80-F89 PolarHBondContact N-O 2.94Å; I80-F89 VanDerWaalsContact O-CD1 3.26Å; I80-F89 WeakPolarHBondContact O-CD1 3.32Å; I80-V106 HydrophobicContact CG2-CG1 3.62Å; I80-K107 CarbonylContact C-O 3.59Å; I80-K107 VanDerWaalsContact CA-O 3.23Å; I80-K107 WeakPolarHBondContact CA-O 3.14Å; I80-I108 HydrophobicContact CG1-CG1 4.28Å
81S98.9Very high98.7Very high2 Ų216.3 Ų16.31%0.0148%0.079CC..EExtended strand (participates in β ladder)trans-108.8122.7-173.7-71.10000111.1C85 C87 F89 K107S81-C85 VanDerWaalsContact CB-SG 3.58Å; S81-C85 PolarHBondContact OG-SG 2.73Å; S81-C85 VanDerWaalsContact OG-SG 3.37Å; S81-C87 VanDerWaalsContact OG-CA 3.31Å; S81-C87 WeakPolarHBondContact OG-CA 3.38Å; S81-C87 PolarHBondContact OG-O 2.82Å; S81-F89 PolarHBondContact OG-N 3.39Å; S81-K107 PolarHBondContact N-O 3.49Å; S81-K107 WeakPolarHBondContact O-CB 3.37Å; S81-K107 WeakPolarHBondContact O-CE 3.4Å; S81-K107 PolarHBondContact O-N 2.95Å; S81-K107 PolarHBondContact O-NZ 2.88Å
82V98.9Very high98.7Very high11 Ų1111.4 Ų11.47%0.0676%0.058CC..EExtended strand (participates in β ladder)trans-104.4137.1-170.7-172.90000111.8V45 N84 C85 Y98 L100 D104 L105 V106V45-V82 HydrophobicContact CG2-CG2 4.42Å; V82-N84 PolarHBondContact O-N 2.94Å; V82-N84 VanDerWaalsContact O-N 3.16Å; V82-C85 WeakPolarHBondContact O-CB 3.4Å; V82-C85 PolarHBondContact O-N 3.34Å; V82-Y98 HydrophobicContact CB-CD1 4.44Å; V82-Y98 HydrophobicContact CB-CE1 4.18Å; V82-Y98 HydrophobicContact CG1-CD1 4.48Å; V82-Y98 HydrophobicContact CG1-CE1 3.76Å; V82-Y98 HydrophobicContact CG2-CD1 3.91Å; V82-Y98 HydrophobicContact CG2-CE1 4.01Å; V82-Y98 HydrophobicContact CG2-CG 4.47Å; V82-L100 HydrophobicContact CG2-CD2 3.91Å; V82-D104 HydrophobicContact CG1-CB 3.82Å; V82-L105 CarbonylContact C-O 3.58Å; V82-L105 WeakPolarHBondContact CA-O 3.4Å; V82-V106 HydrophobicContact CG2-CG2 4.36Å
83N98.9Very high98.7Very high27 Ų2716.1 Ų16.114%0.1448%0.079CC..THydrogen-bonded Turntrans50.9-110.9176.3-60.7-40.7000113.3C85 D104 L105 K107 F315 V316N83-C85 VanDerWaalsContact C-N 3.34Å; N83-D104 PolarHBondContact ND2-OD1 3.26Å; N83-L105 PolarHBondContact N-O 3.38Å; N83-L105 PolarHBondContact OD1-N 3.4Å; N83-K107 PolarHBondContact O-NZ 3.45Å; N83-F315 HydrophobicContact CB-CD1 4.19Å; N83-F315 HydrophobicContact CB-CE1 4.28Å; N83-V316 PolarHBondContact O-N 2.94Å; N83-V316 VanDerWaalsContact O-N 3.09Å
84N98.8Very high98.6Very high37 Ų3719.1 Ų19.120%0.19810%0.099CC..THydrogen-bonded Turntrans-78.4-12.6-179.169-50.6000113.6V82 V86 Y309 E310 K311 E314V82-N84 PolarHBondContact O-N 2.94Å; V82-N84 VanDerWaalsContact O-N 3.16Å; N84-V86 PolarHBondContact O-N 2.84Å; N84-Y309 WeakPolarHBondContact O-CA 3.37Å; N84-E310 HydrophobicContact CB-CB 4.23Å; N84-E310 PolarHBondContact ND2-O 3.43Å; N84-E310 PolarHBondContact O-N 3.35Å; N84-K311 WeakPolarHBondContact CB-O 3.38Å; N84-E314 WeakPolarHBondContact CA-O 3.47Å; N84-E314 WeakPolarHBondContact CB-O 3.37Å; N84-E314 PolarHBondContact N-O 2.66Å
85C98.9Very high98.4Very high6 Ų618.4 Ų18.44%0.04110%0.096CC..EExtended strand (participates in β ladder)trans-63.9124.7169.1-177.90000108.6S81 V82 N83 K107 Y309S81-C85 VanDerWaalsContact CB-SG 3.58Å; S81-C85 PolarHBondContact OG-SG 2.73Å; S81-C85 VanDerWaalsContact OG-SG 3.37Å; V82-C85 WeakPolarHBondContact O-CB 3.4Å; V82-C85 PolarHBondContact O-N 3.34Å; N83-C85 VanDerWaalsContact C-N 3.34Å; C85-K107 WeakPolarHBondContact O-CE 3.43Å; C85-K107 PolarHBondContact O-NZ 3.46Å; C85-Y309 HydrophobicContact CB-CD1 3.88Å; C85-Y309 HydrophobicContact CB-CE1 3.57Å
86V98.8Very high98.3Very high0 Ų027 Ų270%014%0.136CC..EExtended strand (participates in β ladder)trans-79.8-54.2-172175.40000110.6N84 K107 I182 L229 A237 L308 V316N84-V86 PolarHBondContact O-N 2.84Å; V86-K107 WeakPolarHBondContact O-CE 3.27Å; V86-I182 HydrophobicContact CG1-CG1 4.26Å; V86-I182 HydrophobicContact CG2-CD1 4.44Å; V86-L229 HydrophobicContact CG1-CD2 4.08Å; V86-A237 HydrophobicContact CG2-CB 3.82Å; V86-L308 HydrophobicContact CB-CB 4.06Å; V86-L308 WeakPolarHBondContact CB-O 3.31Å; V86-L308 HydrophobicContact CG2-CB 4.31Å; V86-L308 PolarHBondContact N-O 3.48Å; V86-V316 HydrophobicContact CG1-CG1 4.4Å; V86-V316 HydrophobicContact CG2-CG2 4.11Å
87C98.4Very high98.2Very high3 Ų328.7 Ų28.72%0.0215%0.145CC..EExtended strand (participates in β ladder)trans-161.3170.8-172.159.40000113S81 F89S81-C87 VanDerWaalsContact OG-CA 3.31Å; S81-C87 WeakPolarHBondContact OG-CA 3.38Å; S81-C87 PolarHBondContact OG-O 2.82Å; C87-F89 VanDerWaalsContact C-N 3.28Å; C87-F89 PolarHBondContact O-N 3.36Å; C87-F89 VanDerWaalsContact O-N 3.15Å
88H98.8Very high98.2Very high33 Ų3331.7 Ų31.715%0.15316%0.157CC..  trans65.414.2164.2-49.3164.7000117F76 S90 I246 F305 N306F76-H88 AromaticContact CZ-CD2 3.77Å; H88-S90 PolarHBondContact O-N 3.14Å; H88-I246 HydrophobicContact CB-CD1 4.22Å; H88-F305 AromaticContact CE1-CD1 3.6Å; H88-F305 AromaticContact NE2-CD1 3.98Å; H88-N306 PolarHBondContact ND1-O 3.23Å
89F98.8Very high98.2Very high17 Ų1735.6 Ų35.68%0.07518%0.177CC..  trans-7599.6177.1-172-101000110.9V45 S79 I80 S81 C87 P91 Q242 V307V45-F89 HydrophobicContact CB-CE1 4.46Å; V45-F89 HydrophobicContact CG1-CD1 3.82Å; V45-F89 HydrophobicContact CG1-CE1 3.73Å; S79-F89 WeakPolarHBondContact CA-O 3.44Å; I80-F89 PolarHBondContact N-O 2.94Å; I80-F89 VanDerWaalsContact O-CD1 3.26Å; I80-F89 WeakPolarHBondContact O-CD1 3.32Å; S81-F89 PolarHBondContact OG-N 3.39Å; C87-F89 VanDerWaalsContact C-N 3.28Å; C87-F89 PolarHBondContact O-N 3.36Å; C87-F89 VanDerWaalsContact O-N 3.15Å; F89-P91 HydrophobicContact CD1-CG 4.46Å; F89-P91 HydrophobicContact CE1-CB 4.23Å; F89-P91 HydrophobicContact CE1-CG 3.88Å; F89-P91 HydrophobicContact CZ-CB 4.08Å; F89-P91 HydrophobicContact CZ-CG 4.24Å; F89-Q242 HydrophobicContact CD2-CG 4.3Å; F89-Q242 HydrophobicContact CE2-CG 4.29Å; F89-V307 HydrophobicContact CB-CG1 4.24Å; F89-V307 HydrophobicContact CD2-CG1 4.2Å
90S98.8Very high98.2Very high1 Ų135.6 Ų35.61%0.00718%0.177CC..  trans-128.787173.3-163.90000108.9T78 H88 T245 R281T78-S90 WeakPolarHBondContact O-CB 3.47Å; T78-S90 PolarHBondContact O-OG 3.18Å; H88-S90 PolarHBondContact O-N 3.14Å; S90-T245 WeakPolarHBondContact O-CB 3.42Å; S90-T245 PolarHBondContact O-OG1 2.96Å; S90-R281 PolarHBondContact OG-NH1 2.81Å; S90-R281 PolarHBondContact OG-NH2 2.91Å
91P98.3Very high98.2Very high2 Ų241.5 Ų41.51%0.01320%0.202CC..  trans-66151.8-167.226.3-34.6000112.6V45 L46 F89 D95 R281V45-P91 HydrophobicContact CG1-CG 4.21Å; L46-P91 HydrophobicContact CB-CG 4Å; L46-P91 HydrophobicContact CD1-CG 4.32Å; L46-P91 WeakPolarHBondContact CD1-O 3.28Å; F89-P91 HydrophobicContact CD1-CG 4.46Å; F89-P91 HydrophobicContact CE1-CB 4.23Å; F89-P91 HydrophobicContact CE1-CG 3.88Å; F89-P91 HydrophobicContact CZ-CB 4.08Å; F89-P91 HydrophobicContact CZ-CG 4.24Å; P91-D95 HydrophobicContact CB-CB 4.33Å; P91-R281 PolarHBondContact O-NH1 2.88Å
92L98.3Very high98.2Very high0 Ų048.4 Ų48.40%024%0.235CC..  trans-81.6167166.5-54.7-178.4000111.2S94 D95 T245 L280 R281 E286 R290L92-S94 PolarHBondContact O-N 3.47Å; L92-D95 HydrophobicContact CB-CB 4.46Å; L92-D95 VanDerWaalsContact CB-OD2 3.3Å; L92-D95 WeakPolarHBondContact CB-OD2 3.37Å; L92-D95 WeakPolarHBondContact CG-OD2 3.33Å; L92-D95 PolarHBondContact N-OD2 3.38Å; L92-D95 PolarHBondContact O-N 2.92Å; L92-D95 VanDerWaalsContact O-N 3.15Å; L92-T245 HydrophobicContact CD1-CG2 4.22Å; L92-T245 HydrophobicContact CD2-CG2 3.92Å; L92-T245 HydrophobicContact CG-CG2 3.67Å; L92-L280 HydrophobicContact CD2-CB 3.85Å; L92-R281 HydrophobicContact CD2-CB 4.07Å; L92-E286 HydrophobicContact CD1-CG 3.97Å; L92-R290 HydrophobicContact CD1-CG 4.38Å
93K97.1Very high98.1Very high148 Ų14849 Ų4964%0.64324%0.243SC*.THydrogen-bonded Turntrans-64.2-27.4175.8-63.4-177.7178.7-179.60112.4E50 E286E50-K93 WeakPolarHBondContact OE1-CE 3.22Å; E50-K93 IonicContact OE1-NZ 2.71Å; K93-E286 PolarHBondContact N-OE2 3.35Å
94S96.7Very high98.1Very high64 Ų6448.3 Ų48.345%0.44824%0.239SC..THydrogen-bonded Turntrans-90.2-8.3176.474.80000114.9L92 E286 R290L92-S94 PolarHBondContact O-N 3.47Å; S94-E286 VanDerWaalsContact CB-OE1 3.3Å; S94-E286 WeakPolarHBondContact CB-OE1 3.31Å; S94-E286 PolarHBondContact N-OE2 3.42Å; S94-E286 PolarHBondContact OG-OE1 2.71Å; S94-R290 PolarHBondContact OG-NH1 2.91Å; S94-R290 VanDerWaalsContact OG-NH1 3.16Å
95D95.3Very high98.1Very high25 Ų2546.5 Ų46.513%0.13423%0.229CC..SBendtrans-81.3159.5178.2-63.4-28000110.4P91 L92 D97 R243P91-D95 HydrophobicContact CB-CB 4.33Å; L92-D95 HydrophobicContact CB-CB 4.46Å; L92-D95 VanDerWaalsContact CB-OD2 3.3Å; L92-D95 WeakPolarHBondContact CB-OD2 3.37Å; L92-D95 WeakPolarHBondContact CG-OD2 3.33Å; L92-D95 PolarHBondContact N-OD2 3.38Å; L92-D95 PolarHBondContact O-N 2.92Å; L92-D95 VanDerWaalsContact O-N 3.15Å; D95-D97 PolarHBondContact O-N 3.31Å; D95-R243 IonicContact OD1-CZ 3.92Å; D95-R243 IonicContact OD1-NE 2.72Å; D95-R243 IonicContact OD1-NH1 2.75Å; D95-R243 PolarHBondContact OD1-NH1 2.9Å
96Q95.9Very high98.1Very high180 Ų18046.2 Ų46.284%0.84123%0.227SC*.PPolyproline II helixtrans-68.7118.7169.8-174.9175.930.900109
97D97.3Very high98.1Very high44 Ų4446.3 Ų46.324%0.23523%0.228CC..PPolyproline II helixtrans-77.2159.8176.7-168.325.5000111.9S44 V45 L46 D95S44-D97 WeakPolarHBondContact CB-OD2 3.46Å; S44-D97 PolarHBondContact OG-OD2 3.35Å; V45-D97 PolarHBondContact N-OD1 2.82Å; L46-D97 HydrophobicContact CB-CB 4.45Å; L46-D97 WeakPolarHBondContact CB-OD1 3.48Å; L46-D97 PolarHBondContact N-OD1 2.73Å; D95-D97 PolarHBondContact O-N 3.31Å
98Y98.6Very high98.2Very high65 Ų6546.1 Ų46.126%0.25523%0.227SC..  trans-105.3128.1171.1-169.6-84.4000109.9V45 V82 L100 D104V45-Y98 WeakPolarHBondContact CB-O 3.34Å; V45-Y98 HydrophobicContact CG2-CD1 4.11Å; V45-Y98 WeakPolarHBondContact CG2-O 3.43Å; V45-Y98 PolarHBondContact N-O 2.94Å; V82-Y98 HydrophobicContact CB-CD1 4.44Å; V82-Y98 HydrophobicContact CB-CE1 4.18Å; V82-Y98 HydrophobicContact CG1-CD1 4.48Å; V82-Y98 HydrophobicContact CG1-CE1 3.76Å; V82-Y98 HydrophobicContact CG2-CD1 3.91Å; V82-Y98 HydrophobicContact CG2-CE1 4.01Å; V82-Y98 HydrophobicContact CG2-CG 4.47Å; Y98-L100 HydrophobicContact CD1-CD2 4.12Å; Y98-L100 HydrophobicContact CE1-CD2 4.21Å; Y98-D104 WeakPolarHBondContact CE1-OD2 3.33Å; Y98-D104 PolarHBondContact OH-OD1 3.04Å; Y98-D104 PolarHBondContact OH-OD2 3.22Å
99I98.8Very high98.2Very high82 Ų8244.7 Ų44.742%0.42122%0.22SC..BIsolated β-bridgetrans-97.1117.9173.3-53.8-53.8000108.1
100L98.8Very high98.2Very high1 Ų143.9 Ų43.91%0.00522%0.217CC..  trans-57.6141.9-179-66.3-175.7000111.4S41 G42 V43 V45 L48 V82 Y98 V106 V127S41-L100 CarbonylContact C-O 3.45Å; S41-L100 WeakPolarHBondContact CA-O 3.32Å; G42-L100 PolarHBondContact N-O 3.46Å; V43-L100 HydrophobicContact CB-CD1 4.42Å; V43-L100 PolarHBondContact O-N 2.92Å; V45-L100 HydrophobicContact CG2-CD2 3.81Å; V45-L100 HydrophobicContact CG2-CG 4.2Å; L48-L100 HydrophobicContact CD1-CD1 3.8Å; V82-L100 HydrophobicContact CG2-CD2 3.91Å; Y98-L100 HydrophobicContact CD1-CD2 4.12Å; Y98-L100 HydrophobicContact CE1-CD2 4.21Å; L100-V106 HydrophobicContact CD2-CG2 3.73Å; L100-V127 HydrophobicContact CD1-CG2 4.32Å
101K98.7Very high98.2Very high123 Ų12343.9 Ų43.954%0.53522%0.216SC..  trans-121155.2177.6-57173.3-173173.50110.1G103 D104 V127K101-G103 PolarHBondContact O-N 2.9Å; K101-D104 WeakPolarHBondContact CA-OD2 3.31Å; K101-D104 WeakPolarHBondContact CB-OD2 3.27Å; K101-D104 PolarHBondContact N-OD2 3.32Å; K101-D104 WeakPolarHBondContact O-CB 3.47Å; K101-D104 PolarHBondContact O-N 3.41Å; K101-D104 VanDerWaalsContact O-N 3.14Å; K101-V127 WeakPolarHBondContact O-CB 3.38Å; K101-V127 WeakPolarHBondContact O-CG1 3.35Å
102E98.4Very high98.2Very high148 Ų14843.8 Ų43.869%0.69222%0.216SC*.THydrogen-bonded Turntrans-56.5134.4170.6-172.2178.5162.600110.6S41 D104S41-E102 PolarHBondContact OG-N 3.22Å; E102-D104 VanDerWaalsContact C-N 3.3Å; E102-D104 PolarHBondContact O-N 3.37Å
103G98.3Very high98.2Very high23 Ų2344.6 Ų44.624%0.23722%0.22CC..THydrogen-bonded Turntrans82.1-6-178.100000114.8K101 L105 V127 K139K101-G103 PolarHBondContact O-N 2.9Å; G103-L105 PolarHBondContact O-N 3.47Å; G103-V127 PolarHBondContact N-O 3.21Å; G103-K139 WeakPolarHBondContact O-CE 3.43Å; G103-K139 PolarHBondContact O-NZ 3.11Å
104D98.9Very high98.3Very high12 Ų1237.6 Ų37.66%0.06419%0.189CC..  trans-60.2137175.5-81.6-27.5000111.6V82 N83 Y98 K101 E102 V106 V126 V127V82-D104 HydrophobicContact CG1-CB 3.82Å; N83-D104 PolarHBondContact ND2-OD1 3.26Å; Y98-D104 WeakPolarHBondContact CE1-OD2 3.33Å; Y98-D104 PolarHBondContact OH-OD1 3.04Å; Y98-D104 PolarHBondContact OH-OD2 3.22Å; K101-D104 WeakPolarHBondContact CA-OD2 3.31Å; K101-D104 WeakPolarHBondContact CB-OD2 3.27Å; K101-D104 PolarHBondContact N-OD2 3.32Å; K101-D104 WeakPolarHBondContact O-CB 3.47Å; K101-D104 PolarHBondContact O-N 3.41Å; K101-D104 VanDerWaalsContact O-N 3.14Å; E102-D104 VanDerWaalsContact C-N 3.3Å; E102-D104 PolarHBondContact O-N 3.37Å; D104-V106 HydrophobicContact CB-CG2 4.17Å; D104-V126 CarbonylContact O-C 3.55Å; D104-V126 VanDerWaalsContact O-CA 3.29Å; D104-V126 WeakPolarHBondContact O-CA 3.46Å; D104-V127 HydrophobicContact CB-CG2 4.34Å; D104-V127 PolarHBondContact O-N 3.2Å
105L98.9Very high98.4Very high0 Ų036 Ų360%018%0.175CC..EExtended strand (participates in β ladder)trans-82.6118.2166.5-177.5156.6000108.1V82 N83 G103 K107 T124 V142 I143 F315 V316V82-L105 CarbonylContact C-O 3.58Å; V82-L105 WeakPolarHBondContact CA-O 3.4Å; N83-L105 PolarHBondContact N-O 3.38Å; N83-L105 PolarHBondContact OD1-N 3.4Å; G103-L105 PolarHBondContact O-N 3.47Å; L105-K107 HydrophobicContact CD2-CG 4.2Å; L105-T124 HydrophobicContact CD1-CG2 3.97Å; L105-T124 HydrophobicContact CD2-CG2 3.5Å; L105-T124 HydrophobicContact CG-CG2 3.62Å; L105-V142 HydrophobicContact CD1-CG1 4.16Å; L105-I143 HydrophobicContact CD1-CD1 3.75Å; L105-I143 HydrophobicContact CD1-CG1 3.78Å; L105-I143 HydrophobicContact CG-CD1 4.33Å; L105-F315 HydrophobicContact CB-CD1 4.28Å; L105-F315 HydrophobicContact CD1-CB 4.14Å; L105-V316 WeakPolarHBondContact CD2-O 3.28Å
106V98.9Very high98.5Very high0 Ų034.8 Ų34.80%017%0.169CC..EExtended strand (participates in β ladder)trans-116.5130.1-175.6178.80000109.9I80 V82 L100 D104 I108 T124 F125 V127I80-V106 HydrophobicContact CG2-CG1 3.62Å; V82-V106 HydrophobicContact CG2-CG2 4.36Å; L100-V106 HydrophobicContact CD2-CG2 3.73Å; D104-V106 HydrophobicContact CB-CG2 4.17Å; V106-I108 HydrophobicContact CG1-CG1 4.13Å; V106-T124 VanDerWaalsContact O-CA 3.31Å; V106-T124 WeakPolarHBondContact O-CA 3.42Å; V106-F125 HydrophobicContact CB-CE1 4.03Å; V106-F125 HydrophobicContact CB-CE2 4.49Å; V106-F125 HydrophobicContact CB-CZ 3.98Å; V106-F125 HydrophobicContact CG1-CE1 3.98Å; V106-F125 HydrophobicContact CG1-CZ 4.01Å; V106-F125 PolarHBondContact N-O 3.39Å; V106-F125 PolarHBondContact O-N 3Å; V106-V127 HydrophobicContact CB-CG2 4.4Å; V106-V127 HydrophobicContact CG2-CG2 3.46Å; V106-V127 VanDerWaalsContact CG2-CG2 3.46Å
107K98.9Very high98.7Very high1 Ų126.3 Ų26.30%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-105.6122170.1-65.5169.8-71.9-59.80108.9I80 S81 N83 C85 V86 L105 H123 T124 V316 Q318I80-K107 CarbonylContact C-O 3.59Å; I80-K107 VanDerWaalsContact CA-O 3.23Å; I80-K107 WeakPolarHBondContact CA-O 3.14Å; S81-K107 PolarHBondContact N-O 3.49Å; S81-K107 WeakPolarHBondContact O-CB 3.37Å; S81-K107 WeakPolarHBondContact O-CE 3.4Å; S81-K107 PolarHBondContact O-N 2.95Å; S81-K107 PolarHBondContact O-NZ 2.88Å; N83-K107 PolarHBondContact O-NZ 3.45Å; C85-K107 WeakPolarHBondContact O-CE 3.43Å; C85-K107 PolarHBondContact O-NZ 3.46Å; V86-K107 WeakPolarHBondContact O-CE 3.27Å; L105-K107 HydrophobicContact CD2-CG 4.2Å; K107-H123 WeakPolarHBondContact CA-O 3.08Å; K107-T124 HydrophobicContact CG-CG2 4.43Å; K107-T124 WeakPolarHBondContact CG-OG1 3.34Å; K107-V316 VanDerWaalsContact CD-O 3.24Å; K107-V316 WeakPolarHBondContact CD-O 3.45Å; K107-V316 WeakPolarHBondContact CE-O 3.31Å; K107-V316 PolarHBondContact NZ-O 2.83Å; K107-Q318 HydrophobicContact CB-CB 4.39Å; K107-Q318 HydrophobicContact CD-CB 3.59Å; K107-Q318 HydrophobicContact CG-CB 3.86Å
108I98.9Very high98.7Very high0 Ų024.2 Ų24.20%012%0.118CC..EExtended strand (participates in β ladder)trans-107.3127.9170.9-59177.5000107.8L32 L35 V36 S79 I80 V106 L110 A122 H123 F125L32-I108 HydrophobicContact CD1-CB 3.83Å; L32-I108 HydrophobicContact CD1-CG2 3.66Å; L35-I108 HydrophobicContact CB-CD1 3.85Å; L35-I108 HydrophobicContact CD1-CG2 4.01Å; V36-I108 HydrophobicContact CG2-CD1 4.08Å; S79-I108 WeakPolarHBondContact O-CA 3.36Å; I80-I108 HydrophobicContact CG1-CG1 4.28Å; V106-I108 HydrophobicContact CG1-CG1 4.13Å; I108-L110 HydrophobicContact CG2-CD2 4.47Å; I108-A122 CarbonylContact O-C 3.58Å; I108-A122 WeakPolarHBondContact O-CA 3.33Å; I108-A122 WeakPolarHBondContact O-CB 3.34Å; I108-H123 PolarHBondContact N-O 2.94Å; I108-H123 PolarHBondContact O-N 3.08Å; I108-F125 HydrophobicContact CD1-CE1 3.65Å; I108-F125 HydrophobicContact CD1-CZ 4.1Å; I108-F125 HydrophobicContact CG1-CE1 3.99Å
109D98.9Very high98.8Very high3 Ų321.1 Ų21.12%0.01611%0.106CC..EExtended strand (participates in β ladder)trans-130.6131.3179.4-171-2000110T78 S79 A122 Q318 K320T78-D109 WeakPolarHBondContact CA-O 3.04Å; S79-D109 PolarHBondContact N-O 2.54Å; S79-D109 PolarHBondContact O-N 3.02Å; D109-A122 HydrophobicContact CB-CB 3.75Å; D109-Q318 PolarHBondContact OD2-NE2 2.86Å; D109-K320 IonicContact OD1-NZ 3.98Å; D109-K320 PolarHBondContact OD1-NZ 2.97Å; D109-K320 IonicContact OD2-NZ 2.73Å; D109-K320 PolarHBondContact OD2-NZ 3.41Å
110L98.9Very high98.8Very high0 Ų017.5 Ų17.50%09%0.088CC..EExtended strand (participates in β ladder)trans-154.1162.3179.562.185.5000112A28 V31 L32 L35 I56 I108 V121A28-L110 HydrophobicContact CB-CD1 3.83Å; V31-L110 HydrophobicContact CB-CD2 4.35Å; V31-L110 HydrophobicContact CG1-CD2 3.86Å; L32-L110 HydrophobicContact CB-CD2 4.37Å; L35-L110 HydrophobicContact CD1-CD2 3.93Å; I56-L110 HydrophobicContact CD1-CB 4.31Å; I56-L110 HydrophobicContact CD1-CD1 4.3Å; I108-L110 HydrophobicContact CG2-CD2 4.47Å; L110-V121 HydrophobicContact CD1-CG1 3.64Å; L110-V121 HydrophobicContact CG-CG1 4.01Å; L110-V121 PolarHBondContact N-O 3.24Å; L110-V121 PolarHBondContact O-N 2.83Å
111G98.9Very high98.8Very high0 Ų017.4 Ų17.40%09%0.087CC..EExtended strand (participates in β ladder)trans-141.3141.6178.100000112.9A75 F76 A119 N120A75-G111 PolarHBondContact N-O 3.39Å; F76-G111 PolarHBondContact N-O 2.66Å; F76-G111 PolarHBondContact O-N 3.34Å; G111-A119 WeakPolarHBondContact CA-O 3.4Å; G111-N120 VanDerWaalsContact CA-ND2 3.28Å; G111-N120 WeakPolarHBondContact CA-ND2 3.35Å
112V98.9Very high98.8Very high0 Ų011.6 Ų11.60%06%0.062CC..EExtended strand (participates in β ladder)trans-121.4140.6175-177.60000108.5I27 A28 I56 T60 G73 A119I27-V112 HydrophobicContact CB-CG1 4.38Å; I27-V112 HydrophobicContact CG2-CG1 4.25Å; I27-V112 HydrophobicContact CG2-CG2 4.07Å; A28-V112 HydrophobicContact CB-CB 4.42Å; A28-V112 HydrophobicContact CB-CG2 3.86Å; I56-V112 HydrophobicContact CD1-CG2 4.21Å; I56-V112 HydrophobicContact CG1-CG2 4.01Å; I56-V112 HydrophobicContact CG2-CG1 4.43Å; I56-V112 HydrophobicContact CG2-CG2 3.93Å; T60-V112 HydrophobicContact CG2-CG1 3.66Å; G73-V112 WeakPolarHBondContact O-CA 3.42Å; V112-A119 PolarHBondContact N-O 3.39Å; V112-A119 PolarHBondContact O-N 3.32Å
113H98.9Very high98.8Very high18 Ų184.7 Ų4.78%0.0833%0.03CC..EExtended strand (participates in β ladder)trans-123.7148.3167.173.8102.6000112K72 G73 I74 A75 F117 I118 M276K72-H113 WeakPolarHBondContact CA-O 3.34Å; G73-H113 PolarHBondContact N-NE2 3.43Å; G73-H113 PolarHBondContact N-O 3.31Å; G73-H113 PolarHBondContact O-CD2 3.24Å; G73-H113 PolarHBondContact O-N 2.9Å; I74-H113 PolarHBondContact O-CD2 3.21Å; A75-H113 HydrophobicContact CB-CB 3.9Å; H113-F117 VanDerWaalsContact CA-O 3.22Å; H113-F117 WeakPolarHBondContact CA-O 3.49Å; H113-I118 HydrophobicContact CB-CG1 4.08Å; H113-M276 HydrophobicContact CB-CE 3.98Å
114V98.8Very high98.8Very high0 Ų03.6 Ų3.60%02%0.019CC..EExtended strand (participates in β ladder)trans-128.5116.7169.9-177.90000107.2K20 I63 F64 M70 G116 F117K20-V114 HydrophobicContact CB-CB 4.32Å; K20-V114 HydrophobicContact CB-CG1 4.22Å; K20-V114 HydrophobicContact CG-CG1 4.15Å; I63-V114 HydrophobicContact CD1-CG1 4.32Å; I63-V114 HydrophobicContact CD1-CG2 3.76Å; F64-V114 HydrophobicContact CD2-CG1 3.85Å; F64-V114 HydrophobicContact CE2-CG1 3.67Å; M70-V114 HydrophobicContact SD-CG1 4.12Å; V114-G116 PolarHBondContact O-N 3.07Å; V114-F117 PolarHBondContact N-O 2.78Å; V114-F117 VanDerWaalsContact N-O 3.07Å; V114-F117 WeakPolarHBondContact O-CB 3.49Å; V114-F117 WeakPolarHBondContact O-CD2 3.35Å; V114-F117 PolarHBondContact O-N 2.8Å
115D98Very high98.8Very high30 Ų303.9 Ų3.916%0.162%0.019CC..THydrogen-bonded Turntrans55.332.8-177-158.132.4000114.3K20 M70 K71 F117 Q192K20-D115 HydrophobicContact CD-CB 3.96Å; K20-D115 IonicContact NZ-OD2 3.83Å; K20-D115 PolarHBondContact NZ-OD2 2.93Å; M70-D115 HydrophobicContact CE-CB 3.99Å; M70-D115 HydrophobicContact CG-CB 3.86Å; M70-D115 HydrophobicContact SD-CB 4.11Å; K71-D115 WeakPolarHBondContact O-CA 3.47Å; K71-D115 PolarHBondContact O-N 2.85Å; D115-F117 VanDerWaalsContact C-N 3.31Å; D115-F117 HydrophobicContact CB-CD2 4.26Å; D115-F117 HydrophobicContact CB-CE2 4.41Å; D115-F117 PolarHBondContact O-N 2.8Å; D115-Q192 WeakPolarHBondContact O-CG 3.46Å; D115-Q192 PolarHBondContact O-NE2 3.19Å
116G98.2Very high98.8Very high0 Ų04.6 Ų4.60%02%0.023CC..THydrogen-bonded Turntrans85.1-7-177.200000115.2V114 H193V114-G116 PolarHBondContact O-N 3.07Å; G116-H193 VanDerWaalsContact CA-CE1 3.44Å; G116-H193 WeakPolarHBondContact CA-CE1 3.3Å; G116-H193 VanDerWaalsContact CA-ND1 3.34Å; G116-H193 WeakPolarHBondContact CA-ND1 2.83Å; G116-H193 PolarHBondContact O-N 3.48Å
117F98.8Very high98.8Very high2 Ų24.6 Ų4.61%0.0092%0.024CC..EExtended strand (participates in β ladder)trans-83.4118.7174.7-58.8-70.6000110.7Q10 V17 K20 Y21 H113 V114 D115 Q192Q10-F117 HydrophobicContact CB-CE1 4.44Å; Q10-F117 HydrophobicContact CB-CZ 3.85Å; V17-F117 HydrophobicContact CB-CE1 4.44Å; V17-F117 HydrophobicContact CB-CZ 4.26Å; V17-F117 HydrophobicContact CG1-CD1 3.74Å; V17-F117 HydrophobicContact CG1-CD2 4.49Å; V17-F117 HydrophobicContact CG1-CE1 3.4Å; V17-F117 HydrophobicContact CG1-CE2 4.23Å; V17-F117 HydrophobicContact CG1-CG 4.27Å; V17-F117 HydrophobicContact CG1-CZ 3.67Å; V17-F117 HydrophobicContact CG2-CE1 4.28Å; V17-F117 HydrophobicContact CG2-CE2 4.23Å; V17-F117 HydrophobicContact CG2-CZ 3.74Å; K20-F117 HydrophobicContact CB-CD2 3.94Å; K20-F117 HydrophobicContact CD-CD2 3.64Å; K20-F117 HydrophobicContact CD-CE2 3.71Å; K20-F117 HydrophobicContact CG-CD2 4.45Å; Y21-F117 HydrophobicContact CD1-CB 4.07Å; Y21-F117 HydrophobicContact CD2-CB 3.99Å; Y21-F117 HydrophobicContact CD2-CD1 4.13Å; Y21-F117 HydrophobicContact CD2-CG 4.23Å; Y21-F117 HydrophobicContact CE1-CB 3.91Å; Y21-F117 HydrophobicContact CE2-CB 3.81Å; Y21-F117 AromaticContact CE2-CD1 3.37Å; Y21-F117 HydrophobicContact CE2-CD1 3.37Å; Y21-F117 HydrophobicContact CE2-CE1 4.25Å; Y21-F117 AromaticContact CE2-CG 3.87Å; Y21-F117 HydrophobicContact CE2-CG 3.87Å; Y21-F117 HydrophobicContact CG-CB 4.11Å; Y21-F117 AromaticContact CZ-CD1 3.66Å; H113-F117 VanDerWaalsContact CA-O 3.22Å; H113-F117 WeakPolarHBondContact CA-O 3.49Å; V114-F117 PolarHBondContact N-O 2.78Å; V114-F117 VanDerWaalsContact N-O 3.07Å; V114-F117 WeakPolarHBondContact O-CB 3.49Å; V114-F117 WeakPolarHBondContact O-CD2 3.35Å; V114-F117 PolarHBondContact O-N 2.8Å; D115-F117 VanDerWaalsContact C-N 3.31Å; D115-F117 HydrophobicContact CB-CD2 4.26Å; D115-F117 HydrophobicContact CB-CE2 4.41Å; D115-F117 PolarHBondContact O-N 2.8Å; F117-Q192 HydrophobicContact CD1-CB 4.22Å; F117-Q192 HydrophobicContact CD1-CG 4.21Å; F117-Q192 HydrophobicContact CE1-CB 3.7Å; F117-Q192 HydrophobicContact CE1-CG 3.74Å; F117-Q192 HydrophobicContact CE2-CG 4.07Å; F117-Q192 HydrophobicContact CZ-CB 4.07Å; F117-Q192 HydrophobicContact CZ-CG 3.67Å
118I98.9Very high98.7Very high0 Ų06.7 Ų6.70%05%0.045CC..EExtended strand (participates in β ladder)trans-98.8135.3-165-61.8153.2000111.6Y21 A75 H113 N120 L190 I195 M276Y21-I118 WeakPolarHBondContact CD1-O 3.44Å; Y21-I118 WeakPolarHBondContact CE1-O 3.4Å; A75-I118 HydrophobicContact CB-CB 4.47Å; A75-I118 HydrophobicContact CB-CG1 4.17Å; A75-I118 HydrophobicContact CB-CG2 3.79Å; H113-I118 HydrophobicContact CB-CG1 4.08Å; I118-N120 VanDerWaalsContact CG2-OD1 3.3Å; I118-N120 WeakPolarHBondContact CG2-OD1 3.45Å; I118-L190 HydrophobicContact CB-CD1 4.2Å; I118-L190 HydrophobicContact CG2-CD1 4.27Å; I118-L190 WeakPolarHBondContact O-CD1 3.33Å; I118-I195 HydrophobicContact CD1-CB 3.67Å; I118-I195 HydrophobicContact CD1-CD1 4.48Å; I118-I195 HydrophobicContact CD1-CG1 4.01Å; I118-I195 HydrophobicContact CG2-CD1 4.25Å; I118-I195 HydrophobicContact CG2-CG1 4.35Å; I118-M276 HydrophobicContact CD1-CE 3.89Å; I118-M276 HydrophobicContact CD1-SD 4.02Å; I118-M276 HydrophobicContact CG1-CE 3.78Å; I118-M276 HydrophobicContact CG1-SD 4.1Å
119A98.9Very high98.5Very high0 Ų08.8 Ų8.80%06%0.058CC..EExtended strand (participates in β ladder)trans-123.2103.7169.300000109.5G111 V112 I333 T334G111-A119 WeakPolarHBondContact CA-O 3.4Å; V112-A119 PolarHBondContact N-O 3.39Å; V112-A119 PolarHBondContact O-N 3.32Å; A119-I333 HydrophobicContact CB-CD1 4.16Å; A119-T334 HydrophobicContact CB-CG2 4.08Å
120N98.9Very high98.1Very high6 Ų611.4 Ų11.43%0.0328%0.08CC..EExtended strand (participates in β ladder)trans-94.2148.9172.9-68.3121.1000111.8G111 I118 A225 K320 T322 T334G111-N120 VanDerWaalsContact CA-ND2 3.28Å; G111-N120 WeakPolarHBondContact CA-ND2 3.35Å; I118-N120 VanDerWaalsContact CG2-OD1 3.3Å; I118-N120 WeakPolarHBondContact CG2-OD1 3.45Å; N120-A225 HydrophobicContact CB-CB 4.4Å; N120-K320 HydrophobicContact CB-CD 3.74Å; N120-K320 HydrophobicContact CB-CG 4.36Å; N120-T322 PolarHBondContact N-OG1 3.41Å; N120-T322 PolarHBondContact O-OG1 3.42Å; N120-T334 PolarHBondContact O-OG1 3.36Å
121V98.9Very high97.7Very high0 Ų021.1 Ų21.10%013%0.125CC..EExtended strand (participates in β ladder)trans-150.5138.1174.469.10000110.4A28 L32 L110 K320 T334A28-V121 HydrophobicContact CB-CG1 3.94Å; L32-V121 HydrophobicContact CB-CG1 4.27Å; L32-V121 HydrophobicContact CD2-CB 4.37Å; L32-V121 HydrophobicContact CD2-CG1 3.93Å; L32-V121 HydrophobicContact CD2-CG2 3.55Å; L110-V121 HydrophobicContact CD1-CG1 3.64Å; L110-V121 HydrophobicContact CG-CG1 4.01Å; L110-V121 PolarHBondContact N-O 3.24Å; L110-V121 PolarHBondContact O-N 2.83Å; V121-K320 WeakPolarHBondContact CA-O 3.36Å; V121-T334 HydrophobicContact CB-CG2 4.27Å
122A98.9Very high97.3Very high1 Ų125.1 Ų25.11%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-138.6147.5169.600000110.7I108 D109 Q318 K320I108-A122 CarbonylContact O-C 3.58Å; I108-A122 WeakPolarHBondContact O-CA 3.33Å; I108-A122 WeakPolarHBondContact O-CB 3.34Å; D109-A122 HydrophobicContact CB-CB 3.75Å; A122-Q318 HydrophobicContact CB-CG 3.99Å; A122-K320 HydrophobicContact CB-CB 3.46Å; A122-K320 VanDerWaalsContact CB-CB 3.46Å; A122-K320 PolarHBondContact N-O 2.77Å; A122-K320 PolarHBondContact O-N 3.05Å
123H98.9Very high97.2Very high3 Ų328.5 Ų28.51%0.01419%0.188CC..EExtended strand (participates in β ladder)trans-146.6142.8-174.9178.764000111.9L32 K107 I108 F125 F319L32-H123 HydrophobicContact CD1-CB 4.15Å; L32-H123 HydrophobicContact CD2-CB 3.88Å; L32-H123 HydrophobicContact CG-CB 4.45Å; K107-H123 WeakPolarHBondContact CA-O 3.08Å; I108-H123 PolarHBondContact N-O 2.94Å; I108-H123 PolarHBondContact O-N 3.08Å; H123-F125 AromaticContact CD2-CD1 3.99Å; H123-F319 AromaticContact ND1-CE1 3.6Å
124T98.9Very high97.1Very high0 Ų032.5 Ų32.50%021%0.206CC..EExtended strand (participates in β ladder)trans-110.9135175.7-58.20000111.4L105 V106 K107 I143 A317 Q318L105-T124 HydrophobicContact CD1-CG2 3.97Å; L105-T124 HydrophobicContact CD2-CG2 3.5Å; L105-T124 HydrophobicContact CG-CG2 3.62Å; V106-T124 VanDerWaalsContact O-CA 3.31Å; V106-T124 WeakPolarHBondContact O-CA 3.42Å; K107-T124 HydrophobicContact CG-CG2 4.43Å; K107-T124 WeakPolarHBondContact CG-OG1 3.34Å; T124-I143 HydrophobicContact CG2-CD1 4.04Å; T124-I143 HydrophobicContact CG2-CG1 3.86Å; T124-A317 HydrophobicContact CG2-CB 4.03Å; T124-Q318 PolarHBondContact N-O 3.03Å; T124-Q318 WeakPolarHBondContact OG1-CA 3.35Å; T124-Q318 PolarHBondContact OG1-N 3.05Å; T124-Q318 PolarHBondContact OG1-O 3.41Å
125F98.9Very high97.1Very high17 Ų1733.1 Ų33.18%0.07521%0.21CC..EExtended strand (participates in β ladder)trans-146.7177.7171.466.7-77.2000110.6V36 V106 I108 H123 V127V36-F125 HydrophobicContact CB-CE1 4.43Å; V36-F125 HydrophobicContact CG1-CD1 4.29Å; V36-F125 HydrophobicContact CG1-CD2 4.34Å; V36-F125 HydrophobicContact CG1-CE1 4.35Å; V36-F125 HydrophobicContact CG1-CE2 4.39Å; V36-F125 HydrophobicContact CG1-CG 4.3Å; V36-F125 HydrophobicContact CG1-CZ 4.41Å; V36-F125 HydrophobicContact CG2-CD1 4.05Å; V36-F125 HydrophobicContact CG2-CE1 3.88Å; V36-F125 HydrophobicContact CG2-CZ 4.49Å; V106-F125 HydrophobicContact CB-CE1 4.03Å; V106-F125 HydrophobicContact CB-CE2 4.49Å; V106-F125 HydrophobicContact CB-CZ 3.98Å; V106-F125 HydrophobicContact CG1-CE1 3.98Å; V106-F125 HydrophobicContact CG1-CZ 4.01Å; V106-F125 PolarHBondContact N-O 3.39Å; V106-F125 PolarHBondContact O-N 3Å; I108-F125 HydrophobicContact CD1-CE1 3.65Å; I108-F125 HydrophobicContact CD1-CZ 4.1Å; I108-F125 HydrophobicContact CG1-CE1 3.99Å; H123-F125 AromaticContact CD2-CD1 3.99Å; F125-V127 HydrophobicContact CE2-CG2 4.18Å
126V98.8Very high97.1Very high15 Ų1536 Ų369%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-114.9133.1176.5177.50000109.4D104 V129 V135 I143 Y343D104-V126 CarbonylContact O-C 3.55Å; D104-V126 VanDerWaalsContact O-CA 3.29Å; D104-V126 WeakPolarHBondContact O-CA 3.46Å; V126-V129 HydrophobicContact CB-CG2 3.71Å; V126-V129 HydrophobicContact CG1-CG2 3.68Å; V126-V135 HydrophobicContact CB-CG2 4.09Å; V126-V135 HydrophobicContact CG1-CG2 4.36Å; V126-V135 HydrophobicContact CG2-CG1 4.13Å; V126-V135 HydrophobicContact CG2-CG2 4.11Å; V126-I143 HydrophobicContact CG2-CD1 3.91Å; V126-Y343 HydrophobicContact CG2-CE1 4.33Å
127V98.5Very high97.1Very high1 Ų138 Ų381%0.00625%0.25CC..THydrogen-bonded Turntrans-72.6134.5-178.2176.50000110.7L100 K101 G103 D104 V106 F125 V129L100-V127 HydrophobicContact CD1-CG2 4.32Å; K101-V127 WeakPolarHBondContact O-CB 3.38Å; K101-V127 WeakPolarHBondContact O-CG1 3.35Å; G103-V127 PolarHBondContact N-O 3.21Å; D104-V127 HydrophobicContact CB-CG2 4.34Å; D104-V127 PolarHBondContact O-N 3.2Å; V106-V127 HydrophobicContact CB-CG2 4.4Å; V106-V127 HydrophobicContact CG2-CG2 3.46Å; V106-V127 VanDerWaalsContact CG2-CG2 3.46Å; F125-V127 HydrophobicContact CE2-CG2 4.18Å; V127-V129 PolarHBondContact O-N 3Å
128G95.8Very high97.1Very high44 Ų4441.6 Ų41.645%0.45426%0.263SS..THydrogen-bonded Turntrans7225.7167.400000115.5A130G128-A130 PolarHBondContact O-N 3.3Å
129V95.6Very high97.1Very high44 Ų4444 Ų4427%0.26727%0.274SS..  trans-70.3113.1174.4-172.50000109.4V126 V127 T133 V135 L342V126-V129 HydrophobicContact CB-CG2 3.71Å; V126-V129 HydrophobicContact CG1-CG2 3.68Å; V127-V129 PolarHBondContact O-N 3Å; V129-T133 WeakPolarHBondContact CG1-OG1 3.37Å; V129-V135 HydrophobicContact CB-CG2 4.49Å; V129-V135 HydrophobicContact CG1-CG2 4.1Å; V129-V135 HydrophobicContact CG2-CG2 3.55Å; V129-L342 HydrophobicContact CG1-CD1 3.8Å; V129-L342 HydrophobicContact CG1-CG 4.46Å
130A91.4Very high97.1Very high59 Ų5944 Ų4449%0.48827%0.274SS..  trans-63.9141.5179.900000111.5G128 G132 T133G128-A130 PolarHBondContact O-N 3.3Å; A130-G132 PolarHBondContact O-N 2.83Å; A130-T133 HydrophobicContact CB-CG2 4.11Å; A130-T133 PolarHBondContact N-OG1 3.01Å; A130-T133 WeakPolarHBondContact O-CB 3.45Å; A130-T133 PolarHBondContact O-N 2.91Å; A130-T133 PolarHBondContact O-OG1 2.9Å
131Q90.4Very high97.1Very high203 Ų20344.3 Ų44.395%0.94928%0.275SS*.THydrogen-bonded Turntrans-56.7133177.6-170.2177.413.200110.9T133Q131-T133 VanDerWaalsContact C-N 3.28Å; Q131-T133 PolarHBondContact O-N 2.86Å
132G90.8Very high97.1Very high85 Ų8544.3 Ų44.388%0.87628%0.275SS*.THydrogen-bonded Turntrans84.4-4.4-177.100000114.6A130A130-G132 PolarHBondContact O-N 2.83Å
133T95.8Very high97.1Very high71 Ų7144.2 Ų44.244%0.43628%0.275SS..  trans-98.1153.4168.671.10000110.9V129 A130 Q131 L342V129-T133 WeakPolarHBondContact CG1-OG1 3.37Å; A130-T133 HydrophobicContact CB-CG2 4.11Å; A130-T133 PolarHBondContact N-OG1 3.01Å; A130-T133 WeakPolarHBondContact O-CB 3.45Å; A130-T133 PolarHBondContact O-N 2.91Å; A130-T133 PolarHBondContact O-OG1 2.9Å; Q131-T133 VanDerWaalsContact C-N 3.28Å; Q131-T133 PolarHBondContact O-N 2.86Å; T133-L342 WeakPolarHBondContact O-CD1 3.46Å
134Q97.3Very high97.1Very high101 Ų10146.9 Ų46.947%0.47229%0.286SS..  trans-113.7147.1176-66.6-177.1-61.700110.2D341 L342 K344Q134-D341 PolarHBondContact NE2-O 3.37Å; Q134-L342 CarbonylContact C-O 3.58Å; Q134-L342 WeakPolarHBondContact CA-O 3.43Å; Q134-K344 HydrophobicContact CB-CB 4.39Å
135V98.3Very high97.1Very high14 Ų1446.9 Ų46.99%0.08529%0.286CS..BIsolated β-bridgetrans-77132.4167-178.30000108.3V126 V129 K139 A140 L342 Y343 K344V126-V135 HydrophobicContact CB-CG2 4.09Å; V126-V135 HydrophobicContact CG1-CG2 4.36Å; V126-V135 HydrophobicContact CG2-CG1 4.13Å; V126-V135 HydrophobicContact CG2-CG2 4.11Å; V129-V135 HydrophobicContact CB-CG2 4.49Å; V129-V135 HydrophobicContact CG1-CG2 4.1Å; V129-V135 HydrophobicContact CG2-CG2 3.55Å; V135-K139 HydrophobicContact CG1-CB 3.94Å; V135-A140 HydrophobicContact CG1-CB 4.36Å; V135-A140 WeakPolarHBondContact O-CB 3.46Å; V135-L342 PolarHBondContact N-O 3.44Å; V135-Y343 HydrophobicContact CB-CD1 3.78Å; V135-Y343 HydrophobicContact CB-CE1 4.1Å; V135-Y343 HydrophobicContact CG1-CD1 4.11Å; V135-Y343 HydrophobicContact CG1-CE1 4.38Å; V135-Y343 HydrophobicContact CG2-CD1 4.24Å; V135-Y343 HydrophobicContact CG2-CE1 4.07Å; V135-K344 PolarHBondContact O-N 3.3Å
136T98.5Very high97.1Very high91 Ų9146.1 Ų46.156%0.55828%0.283SS*.  trans-127.2177.1-179.260.50000111.8K344T136-K344 HydrophobicContact CG2-CB 4.27Å
137G98.4Very high97.1Very high41 Ų4147 Ų4742%0.42329%0.286SS..Hα-helixtrans67.6-155.7175.900000113.5K139 A140 D141G137-K139 PolarHBondContact O-N 3.02Å; G137-K139 VanDerWaalsContact O-N 3.11Å; G137-A140 WeakPolarHBondContact O-CA 3.31Å; G137-A140 WeakPolarHBondContact O-CB 3.4Å; G137-A140 PolarHBondContact O-N 3.49Å; G137-D141 VanDerWaalsContact O-CG 3.29Å; G137-D141 PolarHBondContact O-N 2.88Å
138R98.6Very high97.1Very high78 Ų7849 Ų4929%0.29430%0.296SS..Hα-helixtrans-57.1-32.1-171.4-64.9-57.4-60.7143.8-10114.7D141 V142 F177 N178 C179 S232 F315R138-D141 IonicContact CZ-OD2 3.09Å; R138-D141 IonicContact NH1-OD2 2.68Å; R138-D141 PolarHBondContact NH1-OD2 3.21Å; R138-D141 PolarHBondContact O-N 2.94Å; R138-V142 WeakPolarHBondContact O-CG1 3.35Å; R138-V142 PolarHBondContact O-N 3.41Å; R138-F177 PolarHBondContact NH1-O 3.17Å; R138-N178 PolarHBondContact NH2-O 3.35Å; R138-C179 PolarHBondContact NH2-SG 2.92Å; R138-C179 VanDerWaalsContact NH2-SG 3.43Å; R138-S232 PolarHBondContact NH2-O 2.86Å; R138-F315 HydrophobicContact CB-CD2 4.2Å; R138-F315 HydrophobicContact CB-CE2 4.49Å
139K98.8Very high97.2Very high50 Ų5047 Ų4722%0.21728%0.275CS..Hα-helixtrans-64.4-45.5173.7-71.6176.5-174.4165.50111.5G103 V135 G137 D141 I143 F315G103-K139 WeakPolarHBondContact O-CE 3.43Å; G103-K139 PolarHBondContact O-NZ 3.11Å; V135-K139 HydrophobicContact CG1-CB 3.94Å; G137-K139 PolarHBondContact O-N 3.02Å; G137-K139 VanDerWaalsContact O-N 3.11Å; K139-D141 VanDerWaalsContact C-N 3.34Å; K139-I143 VanDerWaalsContact O-CB 3.29Å; K139-I143 WeakPolarHBondContact O-CB 3.14Å; K139-I143 WeakPolarHBondContact O-CD1 3.35Å; K139-I143 WeakPolarHBondContact O-CG1 3.29Å; K139-I143 PolarHBondContact O-N 3.44Å; K139-I143 VanDerWaalsContact O-N 3.1Å; K139-F315 HydrophobicContact CD-CD1 4.42Å; K139-F315 HydrophobicContact CD-CE1 4.17Å; K139-F315 HydrophobicContact CD-CZ 4.27Å; K139-F315 HydrophobicContact CG-CD1 3.89Å; K139-F315 HydrophobicContact CG-CD2 3.83Å; K139-F315 HydrophobicContact CG-CE1 4.01Å; K139-F315 HydrophobicContact CG-CE2 3.92Å; K139-F315 HydrophobicContact CG-CG 3.83Å; K139-F315 HydrophobicContact CG-CZ 4.02Å
140A98.8Very high97.4Very high0 Ų045 Ų450%026%0.264CS..Hα-helixtrans-64.8-41.9176.800000111.2V135 G137 K144 K344V135-A140 HydrophobicContact CG1-CB 4.36Å; V135-A140 WeakPolarHBondContact O-CB 3.46Å; G137-A140 WeakPolarHBondContact O-CA 3.31Å; G137-A140 WeakPolarHBondContact O-CB 3.4Å; G137-A140 PolarHBondContact O-N 3.49Å; A140-K144 WeakPolarHBondContact O-CB 3.42Å; A140-K144 VanDerWaalsContact O-CG 3.28Å; A140-K144 WeakPolarHBondContact O-CG 3.18Å; A140-K144 PolarHBondContact O-N 3.49Å; A140-K344 WeakPolarHBondContact CB-O 3.32Å
141D98.8Very high97.7Very high12 Ų1243.6 Ų43.66%0.06425%0.247CC..Hα-helixtrans-58.5-54.8178.6-57-25.5000111.6G137 R138 K139 I143 K144 A145 F177 S345 M347G137-D141 VanDerWaalsContact O-CG 3.29Å; G137-D141 PolarHBondContact O-N 2.88Å; R138-D141 IonicContact CZ-OD2 3.09Å; R138-D141 IonicContact NH1-OD2 2.68Å; R138-D141 PolarHBondContact NH1-OD2 3.21Å; R138-D141 PolarHBondContact O-N 2.94Å; K139-D141 VanDerWaalsContact C-N 3.34Å; D141-I143 PolarHBondContact O-N 2.91Å; D141-K144 PolarHBondContact O-N 3.3Å; D141-A145 VanDerWaalsContact O-CB 3.31Å; D141-A145 WeakPolarHBondContact O-CB 3.39Å; D141-A145 PolarHBondContact O-N 2.86Å; D141-F177 HydrophobicContact CB-CB 4.49Å; D141-S345 VanDerWaalsContact OD1-CB 3.27Å; D141-S345 WeakPolarHBondContact OD1-CB 3.34Å; D141-S345 PolarHBondContact OD1-OG 2.87Å; D141-M347 HydrophobicContact CB-CE 3.76Å; D141-M347 WeakPolarHBondContact OD1-CE 3.42Å; D141-M347 WeakPolarHBondContact OD2-CE 3.15Å
142V98.9Very high98.1Very high0 Ų034 Ų340%020%0.202CC..Hα-helixtrans-68.2-35.7-175.573.80000112.2L105 R138 A145 A146 V230 F315 A317L105-V142 HydrophobicContact CD1-CG1 4.16Å; R138-V142 WeakPolarHBondContact O-CG1 3.35Å; R138-V142 PolarHBondContact O-N 3.41Å; V142-A145 PolarHBondContact O-N 2.93Å; V142-A146 WeakPolarHBondContact O-CB 3.49Å; V142-A146 PolarHBondContact O-N 3.3Å; V142-V230 HydrophobicContact CG2-CB 4.29Å; V142-V230 HydrophobicContact CG2-CG1 4.08Å; V142-V230 WeakPolarHBondContact CG2-O 3.22Å; V142-F315 HydrophobicContact CG1-CB 3.92Å; V142-A317 HydrophobicContact CG1-CB 4.19Å; V142-A317 HydrophobicContact CG2-CB 4.17Å
143I98.9Very high98.5Very high0 Ų029.9 Ų29.90%016%0.16CC..Hα-helixtrans-67-45.4176.1-69.8171.9000110.7L105 T124 V126 K139 D141 A146 H147 A317 F319 F338 Y343L105-I143 HydrophobicContact CD1-CD1 3.75Å; L105-I143 HydrophobicContact CD1-CG1 3.78Å; L105-I143 HydrophobicContact CG-CD1 4.33Å; T124-I143 HydrophobicContact CG2-CD1 4.04Å; T124-I143 HydrophobicContact CG2-CG1 3.86Å; V126-I143 HydrophobicContact CG2-CD1 3.91Å; K139-I143 VanDerWaalsContact O-CB 3.29Å; K139-I143 WeakPolarHBondContact O-CB 3.14Å; K139-I143 WeakPolarHBondContact O-CD1 3.35Å; K139-I143 WeakPolarHBondContact O-CG1 3.29Å; K139-I143 PolarHBondContact O-N 3.44Å; K139-I143 VanDerWaalsContact O-N 3.1Å; D141-I143 PolarHBondContact O-N 2.91Å; I143-A146 PolarHBondContact O-N 3.44Å; I143-H147 WeakPolarHBondContact O-CB 3.38Å; I143-H147 PolarHBondContact O-N 2.86Å; I143-A317 HydrophobicContact CG1-CB 3.98Å; I143-F319 HydrophobicContact CG2-CE2 4.42Å; I143-F319 HydrophobicContact CG2-CZ 4.23Å; I143-F338 HydrophobicContact CG2-CE2 3.55Å; I143-F338 HydrophobicContact CG2-CZ 4.05Å; I143-Y343 HydrophobicContact CB-CD1 4.24Å; I143-Y343 HydrophobicContact CB-CE1 4.34Å; I143-Y343 HydrophobicContact CD1-CD1 3.97Å; I143-Y343 HydrophobicContact CD1-CE1 3.43Å; I143-Y343 VanDerWaalsContact CD1-CE1 3.43Å; I143-Y343 HydrophobicContact CG1-CE1 4.47Å; I143-Y343 HydrophobicContact CG2-CD1 3.96Å; I143-Y343 HydrophobicContact CG2-CD2 4.13Å; I143-Y343 HydrophobicContact CG2-CE1 3.87Å; I143-Y343 HydrophobicContact CG2-CE2 4.03Å; I143-Y343 HydrophobicContact CG2-CG 4.09Å
144K98.8Very high98.5Very high59 Ų5927.1 Ų27.126%0.25714%0.143SC..Hα-helixtrans-64.9-40.8176.7-71.2-172.893.5136.40111.6A140 D141 H147 L148 F177 Y343A140-K144 WeakPolarHBondContact O-CB 3.42Å; A140-K144 VanDerWaalsContact O-CG 3.28Å; A140-K144 WeakPolarHBondContact O-CG 3.18Å; A140-K144 PolarHBondContact O-N 3.49Å; D141-K144 PolarHBondContact O-N 3.3Å; K144-H147 PolarHBondContact O-N 2.93Å; K144-L148 WeakPolarHBondContact O-CB 3.35Å; K144-L148 VanDerWaalsContact O-CG 3.31Å; K144-L148 WeakPolarHBondContact O-CG 3.43Å; K144-L148 PolarHBondContact O-N 3.1Å; K144-F177 HydrophobicContact CB-CD1 4.45Å; K144-F177 HydrophobicContact CB-CE1 3.89Å; K144-F177 HydrophobicContact CB-CZ 4.23Å; K144-Y343 WeakPolarHBondContact CD-O 3.43Å; K144-Y343 PolarHBondContact NZ-O 3.18Å
145A98.9Very high98.5Very high0 Ų023.9 Ų23.90%013%0.126CC..Hα-helixtrans-57.3-53.4174.600000111.4D141 V142 H147 L148 C149 F177 C179 V230D141-A145 VanDerWaalsContact O-CB 3.31Å; D141-A145 WeakPolarHBondContact O-CB 3.39Å; D141-A145 PolarHBondContact O-N 2.86Å; V142-A145 PolarHBondContact O-N 2.93Å; A145-H147 VanDerWaalsContact C-N 3.34Å; A145-H147 PolarHBondContact O-N 3.46Å; A145-L148 PolarHBondContact O-N 3.02Å; A145-C149 WeakPolarHBondContact O-CB 3.12Å; A145-C149 PolarHBondContact O-N 2.93Å; A145-C149 PolarHBondContact O-SG 2.87Å; A145-C149 VanDerWaalsContact O-SG 3.38Å; A145-F177 HydrophobicContact CB-CB 3.86Å; A145-F177 HydrophobicContact CB-CD2 3.78Å; A145-F177 HydrophobicContact CB-CG 3.89Å; A145-C179 HydrophobicContact CB-CB 4.22Å; A145-V230 HydrophobicContact CB-CG1 4.21Å
146A98.9Very high98.4Very high0 Ų024.3 Ų24.30%013%0.128CC..Hα-helixtrans-62-40.117900000112.3V142 I143 C149 A150 V228 V230 A317 F319V142-A146 WeakPolarHBondContact O-CB 3.49Å; V142-A146 PolarHBondContact O-N 3.3Å; I143-A146 PolarHBondContact O-N 3.44Å; A146-C149 WeakPolarHBondContact O-CB 3.18Å; A146-C149 PolarHBondContact O-N 3.11Å; A146-A150 PolarHBondContact O-N 3.3Å; A146-V228 HydrophobicContact CB-CG1 4.25Å; A146-V230 HydrophobicContact CB-CB 4Å; A146-V230 HydrophobicContact CB-CG2 3.89Å; A146-A317 HydrophobicContact CB-CB 3.72Å; A146-F319 HydrophobicContact CB-CD2 3.69Å; A146-F319 HydrophobicContact CB-CE2 3.9Å
147H98.8Very high98.4Very high34 Ų3420 Ų2016%0.15710%0.101CC..Hα-helixtrans-64.1-45177-179.965.3000112.1I143 K144 A145 C149 A150 E151 F319 F338I143-H147 WeakPolarHBondContact O-CB 3.38Å; I143-H147 PolarHBondContact O-N 2.86Å; K144-H147 PolarHBondContact O-N 2.93Å; A145-H147 VanDerWaalsContact C-N 3.34Å; A145-H147 PolarHBondContact O-N 3.46Å; H147-C149 VanDerWaalsContact C-N 3.31Å; H147-C149 PolarHBondContact O-N 3.5Å; H147-A150 WeakPolarHBondContact O-CB 3.38Å; H147-A150 PolarHBondContact O-N 3.48Å; H147-A150 VanDerWaalsContact O-N 3.14Å; H147-E151 PolarHBondContact O-N 2.9Å; H147-F319 HydrophobicContact CB-CD2 4.32Å; H147-F319 HydrophobicContact CB-CE2 3.79Å; H147-F319 HydrophobicContact CB-CZ 4.03Å; H147-F338 HydrophobicContact CB-CE1 3.88Å; H147-F338 HydrophobicContact CB-CE2 4.48Å; H147-F338 HydrophobicContact CB-CZ 3.85Å; H147-F338 AromaticContact CD2-CD1 3.81Å; H147-F338 AromaticContact CD2-CE1 3.3Å; H147-F338 WeakPolarHBondContact CD2-CE1 3.5Å; H147-F338 AromaticContact CE1-CD1 3.34Å; H147-F338 WeakPolarHBondContact CE1-CD1 3.25Å; H147-F338 AromaticContact CE1-CE1 3.69Å; H147-F338 AromaticContact CG-CD1 3.65Å; H147-F338 AromaticContact CG-CE1 3.26Å; H147-F338 AromaticContact CG-CZ 3.77Å; H147-F338 AromaticContact ND1-CD1 3.35Å; H147-F338 WeakPolarHBondContact ND1-CD1 3.36Å; H147-F338 AromaticContact ND1-CE1 3.52Å; H147-F338 AromaticContact ND1-CG 3.94Å; H147-F338 AromaticContact NE2-CD1 3.61Å; H147-F338 AromaticContact NE2-CE1 3.57Å
148L98.7Very high98.3Very high43 Ų4322 Ų2223%0.22510%0.098CC..Hα-helixtrans-67.8-32.7177.3-68.4176.8000112K144 A145 E151 A152 V173 F177 V349 L358K144-L148 WeakPolarHBondContact O-CB 3.35Å; K144-L148 VanDerWaalsContact O-CG 3.31Å; K144-L148 WeakPolarHBondContact O-CG 3.43Å; K144-L148 PolarHBondContact O-N 3.1Å; A145-L148 PolarHBondContact O-N 3.02Å; L148-E151 PolarHBondContact O-N 2.87Å; L148-A152 WeakPolarHBondContact O-CB 3.31Å; L148-A152 PolarHBondContact O-N 3.26Å; L148-V173 HydrophobicContact CB-CG1 3.6Å; L148-F177 HydrophobicContact CD1-CE2 3.68Å; L148-F177 HydrophobicContact CD1-CZ 3.59Å; L148-V349 HydrophobicContact CD1-CG2 3.91Å; L148-L358 HydrophobicContact CB-CD1 4.44Å; L148-L358 HydrophobicContact CB-CD2 4.43Å; L148-L358 HydrophobicContact CD2-CD1 4.26Å; L148-L358 HydrophobicContact CD2-CD2 4.26Å; L148-L358 WeakPolarHBondContact O-CD2 3.48Å
149C98.9Very high98.3Very high1 Ų120.3 Ų20.31%0.00710%0.097CC..Hα-helixtrans-60.5-44.6168.8-78.10000111.3A145 A146 H147 E151 A152 A153 W170 V228A145-C149 WeakPolarHBondContact O-CB 3.12Å; A145-C149 PolarHBondContact O-N 2.93Å; A145-C149 PolarHBondContact O-SG 2.87Å; A145-C149 VanDerWaalsContact O-SG 3.38Å; A146-C149 WeakPolarHBondContact O-CB 3.18Å; A146-C149 PolarHBondContact O-N 3.11Å; H147-C149 VanDerWaalsContact C-N 3.31Å; H147-C149 PolarHBondContact O-N 3.5Å; C149-E151 PolarHBondContact O-N 3.49Å; C149-A152 PolarHBondContact O-N 2.87Å; C149-A153 PolarHBondContact O-N 2.56Å; C149-W170 HydrophobicContact CB-CG 4.18Å; C149-W170 PolarHBondContact O-NE1 2.81Å; C149-V228 HydrophobicContact CB-CG1 3.51Å; C149-V228 HydrophobicContact CB-CG2 4.32Å
150A98.6Very high98.3Very high4 Ų420.1 Ų20.13%0.03311%0.11CC..Hα-helixtrans-62.2-41.6175.700000112.2A146 H147 A153 L154 V228 F319 F321A146-A150 PolarHBondContact O-N 3.3Å; H147-A150 WeakPolarHBondContact O-CB 3.38Å; H147-A150 PolarHBondContact O-N 3.48Å; H147-A150 VanDerWaalsContact O-N 3.14Å; A150-A153 PolarHBondContact O-N 2.86Å; A150-L154 WeakPolarHBondContact O-CB 3.43Å; A150-L154 PolarHBondContact O-N 2.87Å; A150-V228 HydrophobicContact CB-CG2 4.3Å; A150-F319 HydrophobicContact CB-CB 3.91Å; A150-F321 HydrophobicContact CB-CD1 4.42Å; A150-F321 HydrophobicContact CB-CE1 3.89Å
151E98.3Very high98.2Very high29 Ų2921.3 Ų21.314%0.13612%0.116CC..Hα-helixtrans-69.9-33.1177-73.3-63.1133.300113.2H147 L148 C149 R155 R332 L358H147-E151 PolarHBondContact O-N 2.9Å; L148-E151 PolarHBondContact O-N 2.87Å; C149-E151 PolarHBondContact O-N 3.49Å; E151-R155 PolarHBondContact O-NH1 2.81Å; E151-R155 IonicContact OE2-CZ 3.62Å; E151-R155 IonicContact OE2-NH1 3.64Å; E151-R155 PolarHBondContact OE2-NH1 3.42Å; E151-R155 IonicContact OE2-NH2 3.78Å; E151-R332 IonicContact OE1-NH1 2.99Å; E151-R332 PolarHBondContact OE1-NH1 2.83Å; E151-R332 VanDerWaalsContact OE1-NH1 3.09Å; E151-L358 HydrophobicContact CB-CD2 4.11Å
152A98.4Very high98.2Very high0 Ų024.8 Ų24.80%013%0.132CC..Hα-helixtrans-65-48170.800000110.7L148 C149 L154 R155 L156 V173 L357 L358L148-A152 WeakPolarHBondContact O-CB 3.31Å; L148-A152 PolarHBondContact O-N 3.26Å; C149-A152 PolarHBondContact O-N 2.87Å; A152-L154 VanDerWaalsContact C-N 3.33Å; A152-L154 PolarHBondContact O-N 3.28Å; A152-R155 PolarHBondContact O-N 3.2Å; A152-L156 WeakPolarHBondContact O-CB 3.39Å; A152-L156 WeakPolarHBondContact O-CG 3.27Å; A152-L156 PolarHBondContact O-N 3.18Å; A152-V173 HydrophobicContact CB-CG2 4.49Å; A152-L357 HydrophobicContact CB-CD2 4.49Å; A152-L358 HydrophobicContact CB-CD2 4.14Å
153A98.3Very high98.2Very high0 Ų024.9 Ų24.90%013%0.132CC..Hα-helixtrans-60-42177.300000112.1C149 A150 R155 L156 V157 V166 W170 V226 F321C149-A153 PolarHBondContact O-N 2.56Å; A150-A153 PolarHBondContact O-N 2.86Å; A153-R155 PolarHBondContact O-N 2.76Å; A153-L156 PolarHBondContact O-N 2.85Å; A153-L156 VanDerWaalsContact O-N 3.1Å; A153-V157 HydrophobicContact CB-CG2 4.32Å; A153-V157 WeakPolarHBondContact O-CB 3.49Å; A153-V157 WeakPolarHBondContact O-CG2 3.36Å; A153-V157 PolarHBondContact O-N 2.95Å; A153-V166 HydrophobicContact CB-CG1 3.99Å; A153-W170 HydrophobicContact CB-CZ2 3.69Å; A153-V226 HydrophobicContact CB-CG1 3.72Å; A153-F321 HydrophobicContact CB-CZ 4.34Å
154L96Very high98.1Very high13 Ų1326.3 Ų26.37%0.06814%0.142CC..Hα-helixtrans-56.4-25.4176.2-17861.5000113.5A150 A152 F321 R332 A362A150-L154 WeakPolarHBondContact O-CB 3.43Å; A150-L154 PolarHBondContact O-N 2.87Å; A152-L154 VanDerWaalsContact C-N 3.33Å; A152-L154 PolarHBondContact O-N 3.28Å; L154-F321 HydrophobicContact CB-CE2 4.48Å; L154-F321 HydrophobicContact CB-CZ 4.14Å; L154-F321 HydrophobicContact CD1-CE2 4.13Å; L154-R332 HydrophobicContact CD1-CB 3.91Å; L154-A362 HydrophobicContact CD2-CB 3.76Å; L154-A362 HydrophobicContact CG-CB 3.96Å
155R97.1Very high98.1Very high32 Ų3227.6 Ų27.612%0.12115%0.148CC..Hα-helixtrans-97.4-23.5179.7-67.7166.4175.269.8-5.5113.6E151 A152 A153 L357 L358 S360 A362E151-R155 PolarHBondContact O-NH1 2.81Å; E151-R155 IonicContact OE2-CZ 3.62Å; E151-R155 IonicContact OE2-NH1 3.64Å; E151-R155 PolarHBondContact OE2-NH1 3.42Å; E151-R155 IonicContact OE2-NH2 3.78Å; A152-R155 PolarHBondContact O-N 3.2Å; A153-R155 PolarHBondContact O-N 2.76Å; R155-L357 HydrophobicContact CB-CD1 3.92Å; R155-L357 HydrophobicContact CB-CG 4.45Å; R155-L357 WeakPolarHBondContact CD-O 3.3Å; R155-L357 PolarHBondContact NE-O 3.15Å; R155-L357 VanDerWaalsContact NE-O 3.17Å; R155-L358 PolarHBondContact NH2-O 2.95Å; R155-S360 VanDerWaalsContact CZ-O 3.29Å; R155-S360 PolarHBondContact NE-O 2.73Å; R155-S360 PolarHBondContact NH2-O 3.41Å; R155-A362 HydrophobicContact CG-CB 4.44Å
156L98.1Very high98.1Very high23 Ų2327.6 Ų27.612%0.1215%0.148CC..Hα-helixtrans-99.5-28.8-175.7-67.4173.4000113.4A152 A153 K158 N161 V166 A169 L357A152-L156 WeakPolarHBondContact O-CB 3.39Å; A152-L156 WeakPolarHBondContact O-CG 3.27Å; A152-L156 PolarHBondContact O-N 3.18Å; A153-L156 PolarHBondContact O-N 2.85Å; A153-L156 VanDerWaalsContact O-N 3.1Å; L156-K158 VanDerWaalsContact C-N 3.33Å; L156-K158 PolarHBondContact O-N 3.17Å; L156-N161 VanDerWaalsContact O-CB 3.22Å; L156-N161 WeakPolarHBondContact O-CB 3.46Å; L156-N161 PolarHBondContact O-ND2 2.95Å; L156-V166 HydrophobicContact CB-CG2 3.84Å; L156-A169 HydrophobicContact CD1-CB 3.45Å; L156-A169 VanDerWaalsContact CD1-CB 3.45Å; L156-L357 HydrophobicContact CD1-CD2 3.87Å; L156-L357 HydrophobicContact CD2-CD1 4.23Å; L156-L357 HydrophobicContact CD2-CD2 3.96Å; L156-L357 HydrophobicContact CG-CD2 3.87Å
157V98.1Very high98.1Very high1 Ų128.1 Ų28.11%0.00615%0.151CC..SBendtrans-79.585.3174.4-1760000108.3A153 V166 I201 F218 Y224 V226 V323 L325 P330A153-V157 HydrophobicContact CB-CG2 4.32Å; A153-V157 WeakPolarHBondContact O-CB 3.49Å; A153-V157 WeakPolarHBondContact O-CG2 3.36Å; A153-V157 PolarHBondContact O-N 2.95Å; V157-V166 HydrophobicContact CG2-CG1 4.39Å; V157-V166 HydrophobicContact CG2-CG2 3.81Å; V157-I201 HydrophobicContact CG2-CD1 3.61Å; V157-F218 HydrophobicContact CB-CE2 4.45Å; V157-F218 HydrophobicContact CB-CZ 4.46Å; V157-F218 HydrophobicContact CG1-CD1 4.19Å; V157-F218 HydrophobicContact CG1-CE1 4.01Å; V157-F218 HydrophobicContact CG1-CE2 4.37Å; V157-F218 HydrophobicContact CG1-CG 4.44Å; V157-F218 HydrophobicContact CG1-CZ 4.11Å; V157-F218 HydrophobicContact CG2-CE2 4.35Å; V157-F218 HydrophobicContact CG2-CZ 4.11Å; V157-Y224 HydrophobicContact CG1-CD2 4.25Å; V157-Y224 HydrophobicContact CG1-CG 4.41Å; V157-V226 HydrophobicContact CG2-CG2 4.22Å; V157-V323 HydrophobicContact CG1-CG1 4.35Å; V157-L325 HydrophobicContact CG1-CD2 4.33Å; V157-L325 WeakPolarHBondContact O-CD2 3.24Å; V157-P330 WeakPolarHBondContact O-CG 3.35Å
158K96.7Very high98.1Very high82 Ų8231.4 Ų31.436%0.35717%0.167SC..SBendtrans-149.5155.6-179.566.8-176.7176.3-170.80109.9L156 G160 N161 F218 P330L156-K158 VanDerWaalsContact C-N 3.33Å; L156-K158 PolarHBondContact O-N 3.17Å; K158-G160 PolarHBondContact O-N 3.07Å; K158-N161 WeakPolarHBondContact CE-ND2 3.44Å; K158-N161 VanDerWaalsContact CE-OD1 3.32Å; K158-N161 WeakPolarHBondContact CE-OD1 2.92Å; K158-N161 HydrophobicContact CG-CB 4.32Å; K158-N161 WeakPolarHBondContact O-CB 3.47Å; K158-N161 PolarHBondContact O-N 3.15Å; K158-N161 VanDerWaalsContact O-N 3.16Å; K158-F218 WeakPolarHBondContact O-CB 3.32Å; K158-P330 HydrophobicContact CB-CG 3.67Å
159P97.9Very high98.1Very high43 Ų4329.8 Ų29.828%0.27916%0.16SC..THydrogen-bonded Turntrans-53.9135.2-180-28.235.9000113.2F218 V220 L325P159-F218 CarbonylContact C-O 3.54Å; P159-F218 WeakPolarHBondContact CA-O 3.49Å; P159-V220 HydrophobicContact CB-CG2 3.75Å; P159-V220 HydrophobicContact CG-CB 4.38Å; P159-V220 HydrophobicContact CG-CG2 3.67Å; P159-L325 HydrophobicContact CG-CB 4.22Å; P159-L325 HydrophobicContact CG-CD1 4.49Å
160G97.5Very high98.1Very high46 Ų4629.8 Ų29.847%0.47416%0.16SC..THydrogen-bonded Turntrans91.3-11.7-17800000115.5K158 E217 F218K158-G160 PolarHBondContact O-N 3.07Å; G160-E217 WeakPolarHBondContact CA-OE1 3.33Å; G160-F218 PolarHBondContact N-O 3.44Å
161N98.3Very high98.1Very high26 Ų2631.3 Ų31.314%0.13917%0.167CC..  trans-90.7160.7173.4-84.824.6000110.7L156 K158 Q165 E217 F218L156-N161 VanDerWaalsContact O-CB 3.22Å; L156-N161 WeakPolarHBondContact O-CB 3.46Å; L156-N161 PolarHBondContact O-ND2 2.95Å; K158-N161 WeakPolarHBondContact CE-ND2 3.44Å; K158-N161 VanDerWaalsContact CE-OD1 3.32Å; K158-N161 WeakPolarHBondContact CE-OD1 2.92Å; K158-N161 HydrophobicContact CG-CB 4.32Å; K158-N161 WeakPolarHBondContact O-CB 3.47Å; K158-N161 PolarHBondContact O-N 3.15Å; K158-N161 VanDerWaalsContact O-N 3.16Å; N161-Q165 PolarHBondContact ND2-OE1 3.03Å; N161-E217 WeakPolarHBondContact O-CA 3.39Å; N161-F218 HydrophobicContact CB-CD2 3.97Å; N161-F218 HydrophobicContact CB-CE2 4.45Å; N161-F218 WeakPolarHBondContact O-CD2 3.42Å; N161-F218 PolarHBondContact O-N 3.18Å
162Q98.3Very high98.1Very high84 Ų8434.9 Ų34.939%0.39318%0.182SC..BIsolated β-bridgetrans-106.4150.7175.9-66.1-177.10.700111.8T164 Q165 A216Q162-T164 PolarHBondContact O-N 3.48Å; Q162-Q165 VanDerWaalsContact N-OE1 3.09Å; Q162-Q165 WeakPolarHBondContact O-CB 3.31Å; Q162-Q165 PolarHBondContact O-N 3.09Å; Q162-Q165 VanDerWaalsContact O-N 3.13Å; Q162-A216 WeakPolarHBondContact CA-O 3.49Å
163N98.2Very high98.1Very high2 Ų234.9 Ų34.91%0.01118%0.182CC..Hα-helixtrans-53.7-36.7175.859.82.6000113.3Q165 V166 T167 T200 I201 H213 E214 A216 F218N163-Q165 VanDerWaalsContact C-N 3.26Å; N163-Q165 PolarHBondContact O-N 3.49Å; N163-V166 WeakPolarHBondContact O-CB 3.38Å; N163-V166 PolarHBondContact O-N 3.05Å; N163-T167 PolarHBondContact O-N 2.92Å; N163-T167 PolarHBondContact O-OG1 3.23Å; N163-T200 WeakPolarHBondContact CB-O 3.37Å; N163-T200 PolarHBondContact ND2-O 3.36Å; N163-I201 HydrophobicContact CB-CG1 4.24Å; N163-H213 PolarHBondContact ND2-CE1 3.32Å; N163-H213 VanDerWaalsContact ND2-CE1 3.34Å; N163-E214 PolarHBondContact ND2-O 3.01Å; N163-A216 PolarHBondContact N-O 2.83Å; N163-A216 PolarHBondContact ND2-N 2.88Å; N163-A216 PolarHBondContact OD1-N 2.93Å; N163-F218 HydrophobicContact CB-CZ 4.15Å
164T98.2Very high98.1Very high31 Ų3134.9 Ų34.919%0.1918%0.182CC..Hα-helixtrans-58.4-35.5180-550000112.6Q162 V166 T167 E168Q162-T164 PolarHBondContact O-N 3.48Å; T164-V166 VanDerWaalsContact C-N 3.28Å; T164-V166 PolarHBondContact O-N 3.37Å; T164-T167 PolarHBondContact O-N 3.37Å; T164-E168 HydrophobicContact CG2-CG 4.36Å; T164-E168 WeakPolarHBondContact O-CG 3.3Å; T164-E168 PolarHBondContact O-N 2.96Å
165Q98.5Very high98.2Very high85 Ų8539 Ų3940%0.39720%0.201SC..Hα-helixtrans-64.9-34.5179.2-63.7174.1-42.800111.8N161 Q162 N163 A169N161-Q165 PolarHBondContact ND2-OE1 3.03Å; Q162-Q165 VanDerWaalsContact N-OE1 3.09Å; Q162-Q165 WeakPolarHBondContact O-CB 3.31Å; Q162-Q165 PolarHBondContact O-N 3.09Å; Q162-Q165 VanDerWaalsContact O-N 3.13Å; N163-Q165 VanDerWaalsContact C-N 3.26Å; N163-Q165 PolarHBondContact O-N 3.49Å; Q165-A169 WeakPolarHBondContact O-CB 3.43Å; Q165-A169 PolarHBondContact O-N 2.98Å; Q165-A169 VanDerWaalsContact O-N 3.16Å
166V98.7Very high98.3Very high0 Ų039 Ų390%021%0.206CC..Hα-helixtrans-70.6-47177.3-174.60000109.7A153 L156 V157 N163 T164 E168 A169 W170 I201 F218A153-V166 HydrophobicContact CB-CG1 3.99Å; L156-V166 HydrophobicContact CB-CG2 3.84Å; V157-V166 HydrophobicContact CG2-CG1 4.39Å; V157-V166 HydrophobicContact CG2-CG2 3.81Å; N163-V166 WeakPolarHBondContact O-CB 3.38Å; N163-V166 PolarHBondContact O-N 3.05Å; T164-V166 VanDerWaalsContact C-N 3.28Å; T164-V166 PolarHBondContact O-N 3.37Å; V166-E168 PolarHBondContact O-N 2.89Å; V166-A169 PolarHBondContact O-N 2.93Å; V166-W170 HydrophobicContact CG1-CD2 3.9Å; V166-W170 HydrophobicContact CG1-CE3 4.13Å; V166-W170 HydrophobicContact CG1-CH2 3.91Å; V166-W170 HydrophobicContact CG1-CZ2 3.61Å; V166-W170 HydrophobicContact CG1-CZ3 4.14Å; V166-W170 PolarHBondContact O-N 2.89Å; V166-I201 HydrophobicContact CB-CG2 3.85Å; V166-I201 HydrophobicContact CG1-CD1 4.35Å; V166-I201 HydrophobicContact CG1-CG2 3.93Å; V166-I201 HydrophobicContact CG2-CD1 4.43Å; V166-F218 HydrophobicContact CG2-CE2 4Å; V166-F218 HydrophobicContact CG2-CZ 4.16Å
167T98.7Very high98.3Very high11 Ų1138 Ų387%0.06720%0.201CC..Hα-helixtrans-56.2-47.8176.9-56.30000112.2N163 T164 W170 N171 I202 P205N163-T167 PolarHBondContact O-N 2.92Å; N163-T167 PolarHBondContact O-OG1 3.23Å; T164-T167 PolarHBondContact O-N 3.37Å; T167-W170 PolarHBondContact O-N 3.01Å; T167-N171 PolarHBondContact O-N 3.49Å; T167-I202 WeakPolarHBondContact CB-O 3.31Å; T167-I202 WeakPolarHBondContact CG2-O 3.39Å; T167-I202 PolarHBondContact OG1-O 3.42Å; T167-P205 HydrophobicContact CG2-CG 4.37Å
168E98.3Very high98.4Very high103 Ų10343.5 Ų43.548%0.48123%0.23SC..Hα-helixtrans-65.9-40.6179.6-71.6176.4178.900112.2T164 V166 N171 K172T164-E168 HydrophobicContact CG2-CG 4.36Å; T164-E168 WeakPolarHBondContact O-CG 3.3Å; T164-E168 PolarHBondContact O-N 2.96Å; V166-E168 PolarHBondContact O-N 2.89Å; E168-N171 PolarHBondContact O-N 3.42Å; E168-K172 PolarHBondContact O-N 2.9Å; E168-K172 VanDerWaalsContact O-N 3.16Å
169A98.6Very high98.5Very high9 Ų939.6 Ų39.67%0.07421%0.213CC..Hα-helixtrans-63.1-42.6176.400000111.8L156 Q165 V166 N171 K172 V173 L354L156-A169 HydrophobicContact CD1-CB 3.45Å; L156-A169 VanDerWaalsContact CD1-CB 3.45Å; Q165-A169 WeakPolarHBondContact O-CB 3.43Å; Q165-A169 PolarHBondContact O-N 2.98Å; Q165-A169 VanDerWaalsContact O-N 3.16Å; V166-A169 PolarHBondContact O-N 2.93Å; A169-N171 PolarHBondContact O-N 2.85Å; A169-K172 PolarHBondContact O-N 2.74Å; A169-V173 WeakPolarHBondContact O-CG2 3.32Å; A169-V173 PolarHBondContact O-N 2.8Å; A169-L354 HydrophobicContact CB-CD1 4.21Å
170W98.8Very high98.5Very high1 Ų138.8 Ų38.80%0.00421%0.207CC..Hα-helixtrans-59.1-44.4176.5-75-20.9000112.9C149 A153 V166 T167 K172 V173 A174 I201 Q203 V226 V228C149-W170 HydrophobicContact CB-CG 4.18Å; C149-W170 PolarHBondContact O-NE1 2.81Å; A153-W170 HydrophobicContact CB-CZ2 3.69Å; V166-W170 HydrophobicContact CG1-CD2 3.9Å; V166-W170 HydrophobicContact CG1-CE3 4.13Å; V166-W170 HydrophobicContact CG1-CH2 3.91Å; V166-W170 HydrophobicContact CG1-CZ2 3.61Å; V166-W170 HydrophobicContact CG1-CZ3 4.14Å; V166-W170 PolarHBondContact O-N 2.89Å; T167-W170 PolarHBondContact O-N 3.01Å; W170-K172 PolarHBondContact O-N 2.67Å; W170-V173 PolarHBondContact O-N 2.88Å; W170-A174 WeakPolarHBondContact O-CB 3.29Å; W170-A174 PolarHBondContact O-N 3.28Å; W170-I201 HydrophobicContact CE3-CG2 4.39Å; W170-I201 HydrophobicContact CH2-CB 4.42Å; W170-I201 HydrophobicContact CH2-CG2 3.93Å; W170-I201 HydrophobicContact CZ3-CB 4.37Å; W170-I201 HydrophobicContact CZ3-CG2 3.59Å; W170-Q203 HydrophobicContact CD2-CG 4.47Å; W170-Q203 HydrophobicContact CE3-CG 3.46Å; W170-Q203 VanDerWaalsContact CE3-CG 3.46Å; W170-Q203 HydrophobicContact CH2-CG 4.28Å; W170-Q203 HydrophobicContact CZ3-CG 3.34Å; W170-V226 HydrophobicContact CH2-CG1 4.21Å; W170-V226 HydrophobicContact CZ2-CG1 3.79Å; W170-V228 HydrophobicContact CH2-CG2 4.37Å; W170-V228 HydrophobicContact CZ2-CG2 3.55Å
171N98.6Very high98.6Very high36 Ų3636.6 Ų36.619%0.19319%0.185CC..Hα-helixtrans-61-45.3176.6-73.8-18000111.5T167 E168 A169 H175T167-N171 PolarHBondContact O-N 3.49Å; E168-N171 PolarHBondContact O-N 3.42Å; A169-N171 PolarHBondContact O-N 2.85Å; N171-H175 WeakPolarHBondContact O-CB 3.21Å; N171-H175 PolarHBondContact O-N 3.45Å; N171-H175 PolarHBondContact O-ND1 3.19Å
172K98.6Very high98.6Very high104 Ų10435.3 Ų35.345%0.45218%0.178SC..Hα-helixtrans-63.4-43.3177.6-70.2-176.7177.1-170.70112.7E168 A169 W170 S176 D351 L354E168-K172 PolarHBondContact O-N 2.9Å; E168-K172 VanDerWaalsContact O-N 3.16Å; A169-K172 PolarHBondContact O-N 2.74Å; W170-K172 PolarHBondContact O-N 2.67Å; K172-S176 PolarHBondContact O-N 2.84Å; K172-S176 PolarHBondContact O-OG 3.05Å; K172-D351 IonicContact NZ-OD2 2.66Å; K172-L354 HydrophobicContact CB-CD2 3.69Å
173V98.8Very high98.6Very high0 Ų034.3 Ų34.30%017%0.173CC..Hα-helixtrans-61.8-54.4177172.30000109.9L148 A152 A169 W170 H175 S176 F177 V349 L354L148-V173 HydrophobicContact CB-CG1 3.6Å; A152-V173 HydrophobicContact CB-CG2 4.49Å; A169-V173 WeakPolarHBondContact O-CG2 3.32Å; A169-V173 PolarHBondContact O-N 2.8Å; W170-V173 PolarHBondContact O-N 2.88Å; V173-H175 PolarHBondContact O-N 3.03Å; V173-S176 VanDerWaalsContact O-CB 3.29Å; V173-S176 WeakPolarHBondContact O-CB 3.08Å; V173-S176 PolarHBondContact O-N 2.91Å; V173-S176 VanDerWaalsContact O-N 3.11Å; V173-F177 WeakPolarHBondContact O-CD2 3.16Å; V173-V349 HydrophobicContact CG1-CG2 4.2Å; V173-V349 HydrophobicContact CG2-CG2 4.48Å; V173-L354 HydrophobicContact CB-CD2 4.33Å; V173-L354 HydrophobicContact CG2-CD1 4.11Å; V173-L354 HydrophobicContact CG2-CD2 3.45Å; V173-L354 VanDerWaalsContact CG2-CD2 3.45Å; V173-L354 HydrophobicContact CG2-CG 3.9Å
174A98.7Very high98.6Very high0 Ų035 Ų350%018%0.181CC..Hα-helixtrans-61.9-44.1-174.100000112.4W170 S176 F177 C179 P181 V230W170-A174 WeakPolarHBondContact O-CB 3.29Å; W170-A174 PolarHBondContact O-N 3.28Å; A174-S176 PolarHBondContact O-N 2.75Å; A174-F177 PolarHBondContact O-N 2.93Å; A174-C179 CarbonylContact C-O 3.58Å; A174-C179 HydrophobicContact CB-CB 4.47Å; A174-C179 WeakPolarHBondContact CB-O 3.32Å; A174-C179 PolarHBondContact O-N 3.01Å; A174-C179 VanDerWaalsContact O-O 3.14Å; A174-P181 HydrophobicContact CB-CG 3.75Å; A174-V230 HydrophobicContact CB-CG1 4.05Å
175H98.6Very high98.6Very high100 Ų10035.6 Ų35.646%0.46318%0.182SC..Hα-helixtrans-64.5-24.3177.9-66.2147.1000113.2N171 V173 F177 N178 C179N171-H175 WeakPolarHBondContact O-CB 3.21Å; N171-H175 PolarHBondContact O-N 3.45Å; N171-H175 PolarHBondContact O-ND1 3.19Å; V173-H175 PolarHBondContact O-N 3.03Å; H175-F177 PolarHBondContact O-N 2.7Å; H175-N178 PolarHBondContact O-N 3.27Å; H175-C179 PolarHBondContact CD2-O 3.33Å; H175-C179 VanDerWaalsContact CD2-O 3.31Å; H175-C179 PolarHBondContact N-O 3Å
176S98.5Very high98.6Very high32 Ų3234.6 Ų34.622%0.22418%0.179CC..THydrogen-bonded Turntrans-64.4-17.6173.2-57.70000113.1K172 V173 A174K172-S176 PolarHBondContact O-N 2.84Å; K172-S176 PolarHBondContact O-OG 3.05Å; V173-S176 VanDerWaalsContact O-CB 3.29Å; V173-S176 WeakPolarHBondContact O-CB 3.08Å; V173-S176 PolarHBondContact O-N 2.91Å; V173-S176 VanDerWaalsContact O-N 3.11Å; A174-S176 PolarHBondContact O-N 2.75Å
177F98.6Very high98.6Very high2 Ų234.6 Ų34.61%0.00918%0.179CC..THydrogen-bonded Turntrans-110.715.9175.5-65.5-92.7000112.5R138 D141 K144 A145 L148 V173 A174 H175 C179 M347 V349R138-F177 PolarHBondContact NH1-O 3.17Å; D141-F177 HydrophobicContact CB-CB 4.49Å; K144-F177 HydrophobicContact CB-CD1 4.45Å; K144-F177 HydrophobicContact CB-CE1 3.89Å; K144-F177 HydrophobicContact CB-CZ 4.23Å; A145-F177 HydrophobicContact CB-CB 3.86Å; A145-F177 HydrophobicContact CB-CD2 3.78Å; A145-F177 HydrophobicContact CB-CG 3.89Å; L148-F177 HydrophobicContact CD1-CE2 3.68Å; L148-F177 HydrophobicContact CD1-CZ 3.59Å; V173-F177 WeakPolarHBondContact O-CD2 3.16Å; A174-F177 PolarHBondContact O-N 2.93Å; H175-F177 PolarHBondContact O-N 2.7Å; F177-C179 PolarHBondContact O-N 2.88Å; F177-C179 PolarHBondContact O-SG 2.88Å; F177-M347 HydrophobicContact CB-CE 4.48Å; F177-M347 HydrophobicContact CD1-CB 3.85Å; F177-M347 HydrophobicContact CE1-CB 4.36Å; F177-M347 WeakPolarHBondContact CE1-O 3.47Å; F177-M347 HydrophobicContact CG-CB 4.42Å; F177-M347 VanDerWaalsContact O-CE 3.3Å; F177-M347 WeakPolarHBondContact O-CE 3.34Å; F177-V349 HydrophobicContact CE2-CG2 3.93Å
178N98.6Very high98.6Very high117 Ų11736.5 Ų36.563%0.62619%0.187SC*.THydrogen-bonded Turntrans50.242.6-171.4-61.2-38.1000111.9R138 H175 M347R138-N178 PolarHBondContact NH2-O 3.35Å; H175-N178 PolarHBondContact O-N 3.27Å; N178-M347 HydrophobicContact CB-SD 4.22Å; N178-M347 PolarHBondContact ND2-SD 3.24Å
179C98.9Very high98.6Very high0 Ų032.4 Ų32.40%017%0.168CC..  trans-121.7160.8178.4-64.90000109.6R138 A145 A174 H175 F177 V230 S231R138-C179 PolarHBondContact NH2-SG 2.92Å; R138-C179 VanDerWaalsContact NH2-SG 3.43Å; A145-C179 HydrophobicContact CB-CB 4.22Å; A174-C179 CarbonylContact C-O 3.58Å; A174-C179 HydrophobicContact CB-CB 4.47Å; A174-C179 WeakPolarHBondContact CB-O 3.32Å; A174-C179 PolarHBondContact O-N 3.01Å; A174-C179 VanDerWaalsContact O-O 3.14Å; H175-C179 PolarHBondContact CD2-O 3.33Å; H175-C179 VanDerWaalsContact CD2-O 3.31Å; H175-C179 PolarHBondContact N-O 3Å; F177-C179 PolarHBondContact O-N 2.88Å; F177-C179 PolarHBondContact O-SG 2.88Å; C179-V230 HydrophobicContact CB-CG1 3.6Å; C179-S231 WeakPolarHBondContact CA-O 3.43Å; C179-S231 VanDerWaalsContact CB-O 3.27Å; C179-S231 WeakPolarHBondContact CB-O 3.33Å
180T98.9Very high98.7Very high25 Ų2532.2 Ų32.215%0.15317%0.166CC..EExtended strand (participates in β ladder)trans-129126-175.7-45.40000109.8N204 S231 G233 E234T180-N204 WeakPolarHBondContact CG2-ND2 3.43Å; T180-S231 PolarHBondContact N-O 2.89Å; T180-S231 PolarHBondContact O-N 2.82Å; T180-G233 WeakPolarHBondContact CB-O 3.47Å; T180-G233 PolarHBondContact OG1-O 2.65Å; T180-E234 WeakPolarHBondContact CG2-O 3.4Å
181P98.9Very high98.7Very high0 Ų035.2 Ų35.20%018%0.179CC..EExtended strand (participates in β ladder)trans-61.2142.5170.3-18.733.3000110.1A174 E183 Q203 N204 L229A174-P181 HydrophobicContact CB-CG 3.75Å; P181-E183 PolarHBondContact O-N 3.34Å; P181-Q203 HydrophobicContact CB-CB 4.31Å; P181-N204 HydrophobicContact CB-CB 4.08Å; P181-N204 WeakPolarHBondContact O-CB 3.48Å; P181-N204 PolarHBondContact O-ND2 2.91Å; P181-N204 VanDerWaalsContact O-ND2 3.08Å; P181-L229 WeakPolarHBondContact CA-O 3.24Å
182I98.8Very high98.6Very high0 Ų035.4 Ų35.40%018%0.179CC..PPolyproline II helixtrans-63.1127.3179.4-57.1-63.7000109.6V86 G184 M185 Q203 L229 G235 A237 E310 V316V86-I182 HydrophobicContact CG1-CG1 4.26Å; V86-I182 HydrophobicContact CG2-CD1 4.44Å; I182-G184 PolarHBondContact O-N 3.09Å; I182-M185 HydrophobicContact CB-CG 3.73Å; I182-M185 HydrophobicContact CG2-CE 3.99Å; I182-M185 HydrophobicContact CG2-CG 3.56Å; I182-M185 HydrophobicContact CG2-SD 4.2Å; I182-Q203 WeakPolarHBondContact O-CB 3.29Å; I182-L229 HydrophobicContact CB-CB 4.23Å; I182-L229 HydrophobicContact CG1-CB 3.86Å; I182-L229 PolarHBondContact N-O 3.34Å; I182-G235 WeakPolarHBondContact CA-O 3.26Å; I182-A237 HydrophobicContact CG2-CB 3.62Å; I182-E310 HydrophobicContact CD1-CG 4.18Å; I182-V316 HydrophobicContact CD1-CG1 4.4Å; I182-V316 HydrophobicContact CD1-CG2 4.43Å; I182-V316 HydrophobicContact CG1-CG1 4.39Å
183E98.6Very high98.6Very high63 Ų6333.4 Ų33.429%0.29417%0.17SC..THydrogen-bonded Turntrans-60.5129.5-178.4-176.5-178.4116.600111.8P181 M185 N204 T206 G235P181-E183 PolarHBondContact O-N 3.34Å; E183-M185 VanDerWaalsContact C-N 3.31Å; E183-M185 PolarHBondContact O-N 3.42Å; E183-N204 WeakPolarHBondContact CA-O 3.33Å; E183-N204 WeakPolarHBondContact CG-O 3.44Å; E183-T206 HydrophobicContact CG-CG2 3.84Å; E183-T206 WeakPolarHBondContact OE1-CG2 3.43Å; E183-G235 PolarHBondContact N-O 3.09Å
184G97.8Very high98.6Very high17 Ų1736 Ų3618%0.17519%0.186CC..THydrogen-bonded Turntrans77.72.3169.900000116.4I182 Q203I182-G184 PolarHBondContact O-N 3.09Å; G184-Q203 PolarHBondContact N-O 3.1Å
185M98.3Very high98.6Very high42 Ų4236.8 Ų36.821%0.20719%0.19CC..  trans-69.7141.5177.1-62.3-62.1108.400111.2I182 E183 Q203 L229 L308I182-M185 HydrophobicContact CB-CG 3.73Å; I182-M185 HydrophobicContact CG2-CE 3.99Å; I182-M185 HydrophobicContact CG2-CG 3.56Å; I182-M185 HydrophobicContact CG2-SD 4.2Å; E183-M185 VanDerWaalsContact C-N 3.31Å; E183-M185 PolarHBondContact O-N 3.42Å; M185-Q203 HydrophobicContact CB-CB 4.33Å; M185-Q203 PolarHBondContact O-N 2.84Å; M185-L229 HydrophobicContact CB-CD1 4.25Å; M185-L229 HydrophobicContact CG-CD1 3.88Å; M185-L229 HydrophobicContact SD-CD1 4.2Å; M185-L308 HydrophobicContact CE-CD1 4.07Å
186L98.6Very high98.5Very high64 Ų6434.3 Ų34.334%0.33518%0.181SC..EExtended strand (participates in β ladder)trans-111.7134.6-175.5-60.2178000111.9T200 I201 I202L186-T200 HydrophobicContact CB-CG2 4.45Å; L186-T200 HydrophobicContact CD1-CG2 4.45Å; L186-I201 WeakPolarHBondContact CA-O 3.48Å; L186-I202 HydrophobicContact CD2-CB 3.81Å; L186-I202 HydrophobicContact CD2-CD1 4.02Å; L186-I202 HydrophobicContact CD2-CG1 3.82Å
187S98.9Very high98.4Very high0 Ų033 Ų330%017%0.172CC..EExtended strand (participates in β ladder)trans-94.8130.9158.6-61.10000109.1T200 I201 A225 D227S187-T200 CarbonylContact O-C 3.56Å; S187-T200 WeakPolarHBondContact O-CA 3.47Å; S187-T200 WeakPolarHBondContact O-CB 3.47Å; S187-I201 PolarHBondContact N-O 2.92Å; S187-I201 PolarHBondContact O-N 3.34Å; S187-A225 WeakPolarHBondContact CA-O 3.41Å; S187-A225 WeakPolarHBondContact CB-O 3.47Å; S187-D227 PolarHBondContact OG-N 3.21Å; S187-D227 PolarHBondContact OG-O 2.96Å
188H98.8Very high98.3Very high52 Ų5241.5 Ų41.524%0.24121%0.212CC..EExtended strand (participates in β ladder)trans-106145.4-169.8-69.6-87.9000113.5I195 D196 T200 Y224 A225H188-I195 WeakPolarHBondContact CB-O 3.46Å; H188-D196 WeakPolarHBondContact ND1-CA 3.34Å; H188-T200 VanDerWaalsContact ND1-CG2 3.33Å; H188-T200 WeakPolarHBondContact ND1-CG2 3.17Å; H188-Y224 WeakPolarHBondContact O-CA 3.36Å; H188-A225 PolarHBondContact N-O 2.76Å; H188-A225 PolarHBondContact O-N 3.19Å
189Q98.9Very high98.3Very high17 Ų1738.1 Ų38.18%0.07919%0.192CC..EExtended strand (participates in β ladder)trans-63.3140157.8-175.6178.128.800109.3G197 K199 E222 V223 Y224Q189-G197 WeakPolarHBondContact O-CA 3.28Å; Q189-G197 PolarHBondContact O-N 3.49Å; Q189-K199 HydrophobicContact CB-CB 4.21Å; Q189-K199 VanDerWaalsContact CB-O 3.28Å; Q189-K199 WeakPolarHBondContact CB-O 3.38Å; Q189-K199 PolarHBondContact N-O 3.19Å; Q189-E222 PolarHBondContact NE2-OE1 2.64Å; Q189-E222 VanDerWaalsContact NE2-OE1 3.11Å; Q189-V223 CarbonylContact C-O 3.08Å; Q189-V223 WeakPolarHBondContact CA-O 3.39Å; Q189-Y224 HydrophobicContact CB-CD1 4.14Å; Q189-Y224 HydrophobicContact CB-CE1 3.69Å; Q189-Y224 HydrophobicContact CG-CE1 4.37Å
190L98.9Very high98.3Very high4 Ų438.8 Ų38.82%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-109.3138.7174.6-53.1-179.4000109.5I118 I195 V223 A225 T322I118-L190 HydrophobicContact CB-CD1 4.2Å; I118-L190 HydrophobicContact CG2-CD1 4.27Å; I118-L190 WeakPolarHBondContact O-CD1 3.33Å; L190-I195 HydrophobicContact CD2-CG1 4.24Å; L190-I195 VanDerWaalsContact CD2-O 3.26Å; L190-I195 WeakPolarHBondContact CD2-O 3.46Å; L190-V223 HydrophobicContact CB-CB 4.22Å; L190-V223 HydrophobicContact CB-CG1 4.09Å; L190-V223 HydrophobicContact CD1-CG1 4.09Å; L190-V223 HydrophobicContact CG-CG1 4.44Å; L190-V223 PolarHBondContact N-O 3.06Å; L190-A225 HydrophobicContact CD1-CB 3.99Å; L190-A225 HydrophobicContact CD2-CB 3.95Å; L190-A225 HydrophobicContact CG-CB 4.11Å; L190-T322 HydrophobicContact CD1-CG2 3.8Å
191K98.6Very high98.3Very high65 Ų6537.6 Ų37.628%0.28319%0.188SC..EExtended strand (participates in β ladder)trans-130.9176.2169.9-55.7177155.4-1470109.5E9 H193 V194E9-K191 WeakPolarHBondContact OE1-CB 3.36Å; E9-K191 WeakPolarHBondContact OE1-CD 3.36Å; E9-K191 VanDerWaalsContact OE1-CE 3.32Å; E9-K191 WeakPolarHBondContact OE1-CE 3.42Å; E9-K191 WeakPolarHBondContact OE1-CG 3.47Å; E9-K191 IonicContact OE1-NZ 3.54Å; E9-K191 PolarHBondContact OE1-NZ 2.75Å; E9-K191 IonicContact OE2-NZ 3.98Å; E9-K191 PolarHBondContact OE2-NZ 3.39Å; K191-H193 PolarHBondContact O-N 3.27Å; K191-H193 VanDerWaalsContact O-N 3.16Å; K191-V194 HydrophobicContact CB-CB 4.07Å; K191-V194 HydrophobicContact CB-CG2 4.42Å; K191-V194 PolarHBondContact N-O 2.91Å; K191-V194 PolarHBondContact O-N 3.3Å
192Q98.4Very high98.3Very high40 Ų4038.1 Ų38.119%0.18719%0.191CC..THydrogen-bonded Turntrans-60.2121.7173.7-159.9-174.75.100109.7D115 F117 V194D115-Q192 WeakPolarHBondContact O-CG 3.46Å; D115-Q192 PolarHBondContact O-NE2 3.19Å; F117-Q192 HydrophobicContact CD1-CB 4.22Å; F117-Q192 HydrophobicContact CD1-CG 4.21Å; F117-Q192 HydrophobicContact CE1-CB 3.7Å; F117-Q192 HydrophobicContact CE1-CG 3.74Å; F117-Q192 HydrophobicContact CE2-CG 4.07Å; F117-Q192 HydrophobicContact CZ-CB 4.07Å; F117-Q192 HydrophobicContact CZ-CG 3.67Å; Q192-V194 PolarHBondContact O-N 2.82Å; Q192-V194 VanDerWaalsContact O-N 3.14Å
193H97.7Very high98.3Very high61 Ų6138.2 Ų38.228%0.28219%0.192SC..THydrogen-bonded Turntrans65.24-177.2-51.8-70000116.5G116 K191G116-H193 VanDerWaalsContact CA-CE1 3.44Å; G116-H193 WeakPolarHBondContact CA-CE1 3.3Å; G116-H193 VanDerWaalsContact CA-ND1 3.34Å; G116-H193 WeakPolarHBondContact CA-ND1 2.83Å; G116-H193 PolarHBondContact O-N 3.48Å; K191-H193 PolarHBondContact O-N 3.27Å; K191-H193 VanDerWaalsContact O-N 3.16Å
194V98.4Very high98.3Very high55 Ų5536.9 Ų36.933%0.33319%0.186SC..EExtended strand (participates in β ladder)trans-119.7112.4-179.9-174.30000109.7K191 Q192K191-V194 HydrophobicContact CB-CB 4.07Å; K191-V194 HydrophobicContact CB-CG2 4.42Å; K191-V194 PolarHBondContact N-O 2.91Å; K191-V194 PolarHBondContact O-N 3.3Å; Q192-V194 PolarHBondContact O-N 2.82Å; Q192-V194 VanDerWaalsContact O-N 3.14Å
195I98.4Very high98.3Very high17 Ų1737.2 Ų37.29%0.08719%0.186CC..EExtended strand (participates in β ladder)trans-87.5-17.5-179.4-163.5162.5000113.5I118 H188 L190 K248 P277I118-I195 HydrophobicContact CD1-CB 3.67Å; I118-I195 HydrophobicContact CD1-CD1 4.48Å; I118-I195 HydrophobicContact CD1-CG1 4.01Å; I118-I195 HydrophobicContact CG2-CD1 4.25Å; I118-I195 HydrophobicContact CG2-CG1 4.35Å; H188-I195 WeakPolarHBondContact CB-O 3.46Å; L190-I195 HydrophobicContact CD2-CG1 4.24Å; L190-I195 VanDerWaalsContact CD2-O 3.26Å; L190-I195 WeakPolarHBondContact CD2-O 3.46Å; I195-K248 HydrophobicContact CG2-CD 3.91Å; I195-P277 HydrophobicContact CD1-CG 4.01Å; I195-P277 HydrophobicContact CG2-CG 4.21Å
196D97.3Very high98.2Very high48 Ų4837.4 Ų37.426%0.25719%0.189SC..EExtended strand (participates in β ladder)trans-132.854.1-168.556.6-17.4000110.8H188 K248H188-D196 WeakPolarHBondContact ND1-CA 3.34Å; D196-K248 IonicContact OD1-NZ 2.73Å; D196-K248 PolarHBondContact OD1-NZ 3.05Å; D196-K248 IonicContact OD2-NZ 3.68Å; D196-K248 PolarHBondContact OD2-NZ 3.44Å
197G97.2Very high98.1Very high5 Ų540.8 Ų40.85%0.05221%0.208CC..EExtended strand (participates in β ladder)trans-56.9155.1174.900000112.3Q189 K199 T200Q189-G197 WeakPolarHBondContact O-CA 3.28Å; Q189-G197 PolarHBondContact O-N 3.49Å; G197-K199 PolarHBondContact O-N 3.04Å; G197-T200 WeakPolarHBondContact O-CG2 3.45Å
198E95.8Very high98Very high179 Ų17945.9 Ų45.984%0.83623%0.232SC*.EExtended strand (participates in β ladder)trans-64.1-40-169.9-62.8174.7-178.700112.9T200E198-T200 PolarHBondContact O-N 2.86Å; E198-T200 PolarHBondContact O-OG1 3.16Å
199K98.6Very high97.9Very high46 Ų4646.4 Ų46.420%0.223%0.234CC..EExtended strand (participates in β ladder)trans-69.2116.5175.5-67.8-173180-176.70109.9Q189 G197 A216 E217 E219 E222 Y224Q189-K199 HydrophobicContact CB-CB 4.21Å; Q189-K199 VanDerWaalsContact CB-O 3.28Å; Q189-K199 WeakPolarHBondContact CB-O 3.38Å; Q189-K199 PolarHBondContact N-O 3.19Å; G197-K199 PolarHBondContact O-N 3.04Å; K199-A216 HydrophobicContact CB-CB 4.28Å; K199-A216 HydrophobicContact CD-CB 4.21Å; K199-A216 HydrophobicContact CG-CB 4Å; K199-E217 PolarHBondContact NZ-O 2.92Å; K199-E219 IonicContact NZ-OE1 3.33Å; K199-E219 PolarHBondContact NZ-OE1 3.39Å; K199-E222 VanDerWaalsContact CD-OE1 3.31Å; K199-E222 WeakPolarHBondContact CD-OE1 3.38Å; K199-E222 WeakPolarHBondContact CE-OE1 3.3Å; K199-E222 IonicContact NZ-OE1 2.73Å; K199-E222 PolarHBondContact NZ-OE1 2.99Å; K199-E222 IonicContact NZ-OE2 3.68Å; K199-Y224 HydrophobicContact CB-CE1 4.4Å; K199-Y224 WeakPolarHBondContact CB-OH 3.46Å
200T98.8Very high97.7Very high14 Ų1451.6 Ų51.69%0.08626%0.256CS..EExtended strand (participates in β ladder)trans-133.2159.6-174.749.40000112.5N163 L186 S187 H188 G197 E198 H213N163-T200 WeakPolarHBondContact CB-O 3.37Å; N163-T200 PolarHBondContact ND2-O 3.36Å; L186-T200 HydrophobicContact CB-CG2 4.45Å; L186-T200 HydrophobicContact CD1-CG2 4.45Å; S187-T200 CarbonylContact O-C 3.56Å; S187-T200 WeakPolarHBondContact O-CA 3.47Å; S187-T200 WeakPolarHBondContact O-CB 3.47Å; H188-T200 VanDerWaalsContact ND1-CG2 3.33Å; H188-T200 WeakPolarHBondContact ND1-CG2 3.17Å; G197-T200 WeakPolarHBondContact O-CG2 3.45Å; E198-T200 PolarHBondContact O-N 2.86Å; E198-T200 PolarHBondContact O-OG1 3.16Å; T200-H213 PolarHBondContact O-CE1 2.86Å; T200-H213 VanDerWaalsContact O-CE1 3.3Å; T200-H213 PolarHBondContact O-NE2 3.34Å; T200-H213 PolarHBondContact OG1-NE2 2.9Å
201I98.9Very high97.5Very high0 Ų059.1 Ų59.10%029%0.289CS..EExtended strand (participates in β ladder)trans-110.8121.4168.9-45.2171.3000107.2V157 N163 V166 W170 L186 S187 F218V157-I201 HydrophobicContact CG2-CD1 3.61Å; N163-I201 HydrophobicContact CB-CG1 4.24Å; V166-I201 HydrophobicContact CB-CG2 3.85Å; V166-I201 HydrophobicContact CG1-CD1 4.35Å; V166-I201 HydrophobicContact CG1-CG2 3.93Å; V166-I201 HydrophobicContact CG2-CD1 4.43Å; W170-I201 HydrophobicContact CE3-CG2 4.39Å; W170-I201 HydrophobicContact CH2-CB 4.42Å; W170-I201 HydrophobicContact CH2-CG2 3.93Å; W170-I201 HydrophobicContact CZ3-CB 4.37Å; W170-I201 HydrophobicContact CZ3-CG2 3.59Å; L186-I201 WeakPolarHBondContact CA-O 3.48Å; S187-I201 PolarHBondContact N-O 2.92Å; S187-I201 PolarHBondContact O-N 3.34Å; I201-F218 HydrophobicContact CD1-CE1 4.01Å; I201-F218 HydrophobicContact CD1-CZ 3.69Å; I201-F218 HydrophobicContact CG1-CE1 4.02Å; I201-F218 HydrophobicContact CG1-CZ 3.83Å
202I98.7Very high97.4Very high12 Ų1261.5 Ų61.56%0.06231%0.305CS..EExtended strand (participates in β ladder)trans-95.7135.9179.9-168160.3000111.2T167 L186 P205 Q209 H213T167-I202 WeakPolarHBondContact CB-O 3.31Å; T167-I202 WeakPolarHBondContact CG2-O 3.39Å; T167-I202 PolarHBondContact OG1-O 3.42Å; L186-I202 HydrophobicContact CD2-CB 3.81Å; L186-I202 HydrophobicContact CD2-CD1 4.02Å; L186-I202 HydrophobicContact CD2-CG1 3.82Å; I202-P205 HydrophobicContact CD1-CB 3.8Å; I202-P205 HydrophobicContact CG1-CB 3.98Å; I202-P205 HydrophobicContact CG2-CB 4.06Å; I202-P205 HydrophobicContact CG2-CG 3.89Å; I202-Q209 HydrophobicContact CD1-CB 4.03Å; I202-H213 HydrophobicContact CD1-CB 4.26Å; I202-H213 HydrophobicContact CG2-CB 4.46Å; I202-H213 WeakPolarHBondContact CG2-ND1 3.46Å
203Q98.4Very high97.4Very high1 Ų161.3 Ų61.31%0.00530%0.304CS..SBendtrans-90.2131.7173.6-73.917999.700110.4W170 P181 I182 G184 M185 P205 D227 L229W170-Q203 HydrophobicContact CD2-CG 4.47Å; W170-Q203 HydrophobicContact CE3-CG 3.46Å; W170-Q203 VanDerWaalsContact CE3-CG 3.46Å; W170-Q203 HydrophobicContact CH2-CG 4.28Å; W170-Q203 HydrophobicContact CZ3-CG 3.34Å; P181-Q203 HydrophobicContact CB-CB 4.31Å; I182-Q203 WeakPolarHBondContact O-CB 3.29Å; G184-Q203 PolarHBondContact N-O 3.1Å; M185-Q203 HydrophobicContact CB-CB 4.33Å; M185-Q203 PolarHBondContact O-N 2.84Å; Q203-P205 VanDerWaalsContact O-N 3.13Å; Q203-D227 PolarHBondContact NE2-O 2.92Å; Q203-L229 PolarHBondContact OE1-O 3.17Å
204N98.2Very high97.3Very high35 Ų3565.7 Ų65.719%0.18732%0.324CS..SBendtrans38.457.6171.2-173.730.4000113.8T180 P181 E183T180-N204 WeakPolarHBondContact CG2-ND2 3.43Å; P181-N204 HydrophobicContact CB-CB 4.08Å; P181-N204 WeakPolarHBondContact O-CB 3.48Å; P181-N204 PolarHBondContact O-ND2 2.91Å; P181-N204 VanDerWaalsContact O-ND2 3.08Å; E183-N204 WeakPolarHBondContact CA-O 3.33Å; E183-N204 WeakPolarHBondContact CG-O 3.44Å
205P98.1Very high97.3Very high25 Ų2570.1 Ų70.116%0.16234%0.339CS..  trans-68.6144.5-174.428.8-35.7000111.7T167 I202 Q203 Q209 K210T167-P205 HydrophobicContact CG2-CG 4.37Å; I202-P205 HydrophobicContact CD1-CB 3.8Å; I202-P205 HydrophobicContact CG1-CB 3.98Å; I202-P205 HydrophobicContact CG2-CB 4.06Å; I202-P205 HydrophobicContact CG2-CG 3.89Å; Q203-P205 VanDerWaalsContact O-N 3.13Å; P205-Q209 HydrophobicContact CB-CB 3.88Å; P205-K210 HydrophobicContact CB-CB 4.21Å; P205-K210 HydrophobicContact CG-CB 4.13Å; P205-K210 HydrophobicContact CG-CG 4.45Å
206T97.5Very high97.2Very high46 Ų4670 Ų7028%0.28234%0.34SS..  trans-61.3164.9162.6610000111.4E183 Q208 Q209 K210E183-T206 HydrophobicContact CG-CG2 3.84Å; E183-T206 WeakPolarHBondContact OE1-CG2 3.43Å; T206-Q208 PolarHBondContact O-N 3.39Å; T206-Q209 PolarHBondContact O-N 3.48Å; T206-Q209 WeakPolarHBondContact OG1-CB 3.44Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.24Å; T206-Q209 PolarHBondContact OG1-N 3.42Å; T206-Q209 VanDerWaalsContact OG1-N 3.15Å; T206-Q209 PolarHBondContact OG1-OE1 3.16Å; T206-K210 WeakPolarHBondContact O-CB 3.06Å; T206-K210 PolarHBondContact O-N 3.19Å
207D96Very high97.3Very high134 Ų13472.6 Ų72.672%0.71735%0.351SS*.Hα-helixtrans-56.1-35.6175.3-70.3-21.4000113K211D207-K211 WeakPolarHBondContact O-CG 3.46Å; D207-K211 PolarHBondContact O-N 2.79Å
208Q96.3Very high97.4Very high108 Ų10872.5 Ų72.551%0.50535%0.349SS..Hα-helixtrans-72.4-50.1177.4-173.25747.400110.8T206 K210 K211 D212T206-Q208 PolarHBondContact O-N 3.39Å; Q208-K210 PolarHBondContact O-N 3.01Å; Q208-K211 WeakPolarHBondContact O-CB 3.46Å; Q208-K211 PolarHBondContact O-N 2.99Å; Q208-D212 PolarHBondContact NE2-OD1 3.14Å; Q208-D212 PolarHBondContact NE2-OD2 3Å; Q208-D212 PolarHBondContact O-N 3.46Å
209Q96.5Very high97.5Very high63 Ų6369 Ų6929%0.29433%0.333SS..Hα-helixtrans-58.2-36.9176.6-74.1165.3-24.700112.1I202 P205 T206 K211 D212 H213I202-Q209 HydrophobicContact CD1-CB 4.03Å; P205-Q209 HydrophobicContact CB-CB 3.88Å; T206-Q209 PolarHBondContact O-N 3.48Å; T206-Q209 WeakPolarHBondContact OG1-CB 3.44Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.24Å; T206-Q209 PolarHBondContact OG1-N 3.42Å; T206-Q209 VanDerWaalsContact OG1-N 3.15Å; T206-Q209 PolarHBondContact OG1-OE1 3.16Å; Q209-K211 VanDerWaalsContact C-N 3.27Å; Q209-K211 PolarHBondContact O-N 2.92Å; Q209-D212 PolarHBondContact O-N 3.23Å; Q209-H213 WeakPolarHBondContact O-CB 3.33Å; Q209-H213 PolarHBondContact O-N 3.11Å
210K94.7Very high97.5Very high126 Ų12669.9 Ų69.955%0.54834%0.342SS..Hα-helixtrans-66.7-27.7177.7-171.3174.2-178175.70113P205 T206 Q208P205-K210 HydrophobicContact CB-CB 4.21Å; P205-K210 HydrophobicContact CG-CB 4.13Å; P205-K210 HydrophobicContact CG-CG 4.45Å; T206-K210 WeakPolarHBondContact O-CB 3.06Å; T206-K210 PolarHBondContact O-N 3.19Å; Q208-K210 PolarHBondContact O-N 3.01Å
211K95.4Very high97.4Very high162 Ų16272.4 Ų72.470%0.70435%0.353SS*.Hα-helixtrans-78.9-38.1174.6-71.3171.2-175.8175.70111.8D207 Q208 Q209D207-K211 WeakPolarHBondContact O-CG 3.46Å; D207-K211 PolarHBondContact O-N 2.79Å; Q208-K211 WeakPolarHBondContact O-CB 3.46Å; Q208-K211 PolarHBondContact O-N 2.99Å; Q209-K211 VanDerWaalsContact C-N 3.27Å; Q209-K211 PolarHBondContact O-N 2.92Å
212D96.3Very high97.4Very high115 Ų11573.2 Ų73.262%0.61536%0.357SS*.Hα-helixtrans-83.5-25.6-176.2-59-23.1000112.4Q208 Q209Q208-D212 PolarHBondContact NE2-OD1 3.14Å; Q208-D212 PolarHBondContact NE2-OD2 3Å; Q208-D212 PolarHBondContact O-N 3.46Å; Q209-D212 PolarHBondContact O-N 3.23Å
213H97.9Very high97.4Very high36 Ų3672.9 Ų72.917%0.16736%0.355CS..SBendtrans-78.6124179.4-174.1-106.6000111.5N163 T200 I202 Q209N163-H213 PolarHBondContact ND2-CE1 3.32Å; N163-H213 VanDerWaalsContact ND2-CE1 3.34Å; T200-H213 PolarHBondContact O-CE1 2.86Å; T200-H213 VanDerWaalsContact O-CE1 3.3Å; T200-H213 PolarHBondContact O-NE2 3.34Å; T200-H213 PolarHBondContact OG1-NE2 2.9Å; I202-H213 HydrophobicContact CD1-CB 4.26Å; I202-H213 HydrophobicContact CG2-CB 4.46Å; I202-H213 WeakPolarHBondContact CG2-ND1 3.46Å; Q209-H213 WeakPolarHBondContact O-CB 3.33Å; Q209-H213 PolarHBondContact O-N 3.11Å
214E96.9Very high97.5Very high153 Ų15372.8 Ų72.872%0.71536%0.355SS*.PPolyproline II helixtrans-73.2134-177.9-171.3173.7-159.300112N163 A216N163-E214 PolarHBondContact ND2-O 3.01Å; E214-A216 PolarHBondContact O-N 2.89Å
215K96.9Very high97.5Very high148 Ų14871.5 Ų71.564%0.64335%0.349SS*.PPolyproline II helixtrans-74.3122.2169.9-67.9-177.7-180179.10109.1
216A97.4Very high97.5Very high13 Ų1370.3 Ų70.311%0.10734%0.341CS..  trans-121.3142.4179.100000111Q162 N163 K199 E214Q162-A216 WeakPolarHBondContact CA-O 3.49Å; N163-A216 PolarHBondContact N-O 2.83Å; N163-A216 PolarHBondContact ND2-N 2.88Å; N163-A216 PolarHBondContact OD1-N 2.93Å; K199-A216 HydrophobicContact CB-CB 4.28Å; K199-A216 HydrophobicContact CD-CB 4.21Å; K199-A216 HydrophobicContact CG-CB 4Å; E214-A216 PolarHBondContact O-N 2.89Å
217E98.5Very high97.6Very high104 Ų10469 Ų6949%0.48633%0.332SS..BIsolated β-bridgetrans-91.7136.6166.3-170.4175.3154.300109.3G160 N161 K199G160-E217 WeakPolarHBondContact CA-OE1 3.33Å; N161-E217 WeakPolarHBondContact O-CA 3.39Å; K199-E217 PolarHBondContact NZ-O 2.92Å
218F98.6Very high97.7Very high2 Ų262.6 Ų62.61%0.00930%0.298CS..  trans-75.9140.4174-57.9-60.9000110.2V157 K158 P159 G160 N161 N163 V166 I201 Y224 L325V157-F218 HydrophobicContact CB-CE2 4.45Å; V157-F218 HydrophobicContact CB-CZ 4.46Å; V157-F218 HydrophobicContact CG1-CD1 4.19Å; V157-F218 HydrophobicContact CG1-CE1 4.01Å; V157-F218 HydrophobicContact CG1-CE2 4.37Å; V157-F218 HydrophobicContact CG1-CG 4.44Å; V157-F218 HydrophobicContact CG1-CZ 4.11Å; V157-F218 HydrophobicContact CG2-CE2 4.35Å; V157-F218 HydrophobicContact CG2-CZ 4.11Å; K158-F218 WeakPolarHBondContact O-CB 3.32Å; P159-F218 CarbonylContact C-O 3.54Å; P159-F218 WeakPolarHBondContact CA-O 3.49Å; G160-F218 PolarHBondContact N-O 3.44Å; N161-F218 HydrophobicContact CB-CD2 3.97Å; N161-F218 HydrophobicContact CB-CE2 4.45Å; N161-F218 WeakPolarHBondContact O-CD2 3.42Å; N161-F218 PolarHBondContact O-N 3.18Å; N163-F218 HydrophobicContact CB-CZ 4.15Å; V166-F218 HydrophobicContact CG2-CE2 4Å; V166-F218 HydrophobicContact CG2-CZ 4.16Å; I201-F218 HydrophobicContact CD1-CE1 4.01Å; I201-F218 HydrophobicContact CD1-CZ 3.69Å; I201-F218 HydrophobicContact CG1-CE1 4.02Å; I201-F218 HydrophobicContact CG1-CZ 3.83Å; F218-Y224 HydrophobicContact CD1-CD2 4.39Å; F218-Y224 HydrophobicContact CD1-CE1 4.21Å; F218-Y224 AromaticContact CD1-CE2 3.65Å; F218-Y224 HydrophobicContact CD1-CE2 3.65Å; F218-Y224 AromaticContact CD1-CZ 3.56Å; F218-Y224 AromaticContact CE1-CE1 4Å; F218-Y224 HydrophobicContact CE1-CE1 4Å; F218-Y224 HydrophobicContact CE1-CE2 4.17Å; F218-Y224 AromaticContact CE1-CZ 3.83Å; F218-L325 HydrophobicContact CB-CD1 3.89Å
219E98.4Very high97.9Very high106 Ų10657.6 Ų57.650%0.49528%0.275SS..  trans-121.6161.6-176.4-64179-134.600112.3K199 E222 L325K199-E219 IonicContact NZ-OE1 3.33Å; K199-E219 PolarHBondContact NZ-OE1 3.39Å; E219-E222 HydrophobicContact CB-CG 4.03Å; E219-E222 PolarHBondContact N-OE2 2.6Å; E219-L325 WeakPolarHBondContact O-CB 3.45Å; E219-L325 WeakPolarHBondContact O-CD1 3.43Å
220V98.1Very high98Very high65 Ų6554.6 Ų54.639%0.39426%0.26SS..THydrogen-bonded Turntrans-68.6142.8174.4-178.60000108.9P159 E222 P327P159-V220 HydrophobicContact CB-CG2 3.75Å; P159-V220 HydrophobicContact CG-CB 4.38Å; P159-V220 HydrophobicContact CG-CG2 3.67Å; V220-E222 VanDerWaalsContact C-N 3.29Å; V220-P327 HydrophobicContact CG1-CB 4.27Å; V220-P327 HydrophobicContact CG1-CG 3.76Å
221H98.3Very high98.2Very high67 Ų6748.6 Ų48.631%0.3123%0.234SC..THydrogen-bonded Turntrans72.112.3-176.8-49.6141000116.1I12 L325I12-H221 VanDerWaalsContact CG1-CA 3.47Å; I12-H221 HydrophobicContact CG1-CB 3.84Å; I12-H221 WeakPolarHBondContact CG1-O 3.45Å; H221-L325 PolarHBondContact N-O 3.26Å
222E98.7Very high98.3Very high17 Ų1741.3 Ų41.38%0.07920%0.204CC..  trans-84.6158.1167.2-61.9-176.314200112Q189 K199 E219 V220 Y224 L325Q189-E222 PolarHBondContact NE2-OE1 2.64Å; Q189-E222 VanDerWaalsContact NE2-OE1 3.11Å; K199-E222 VanDerWaalsContact CD-OE1 3.31Å; K199-E222 WeakPolarHBondContact CD-OE1 3.38Å; K199-E222 WeakPolarHBondContact CE-OE1 3.3Å; K199-E222 IonicContact NZ-OE1 2.73Å; K199-E222 PolarHBondContact NZ-OE1 2.99Å; K199-E222 IonicContact NZ-OE2 3.68Å; E219-E222 HydrophobicContact CB-CG 4.03Å; E219-E222 PolarHBondContact N-OE2 2.6Å; V220-E222 VanDerWaalsContact C-N 3.29Å; E222-Y224 HydrophobicContact CB-CD2 4.34Å; E222-Y224 HydrophobicContact CB-CE2 3.72Å; E222-Y224 WeakPolarHBondContact OE2-CE2 3.49Å; E222-Y224 PolarHBondContact OE2-OH 2.67Å; E222-Y224 VanDerWaalsContact OE2-OH 3.11Å; E222-L325 HydrophobicContact CB-CD1 4.27Å; E222-L325 WeakPolarHBondContact O-CB 3.48Å; E222-L325 PolarHBondContact O-N 3.06Å
223V98.9Very high98.4Very high4 Ų436.6 Ų36.62%0.02418%0.182CC..EExtended strand (participates in β ladder)trans-126.4139.4175.2-174.80000108.7I12 Y21 Q189 L190 T322 V323 L324I12-V223 HydrophobicContact CD1-CG2 4.01Å; I12-V223 HydrophobicContact CG1-CG2 4.41Å; I12-V223 HydrophobicContact CG2-CG2 3.68Å; Y21-V223 HydrophobicContact CD1-CG1 4.5Å; Y21-V223 HydrophobicContact CE1-CG1 3.84Å; Y21-V223 HydrophobicContact CE1-CG2 4.41Å; Y21-V223 HydrophobicContact CE2-CG2 3.99Å; Q189-V223 CarbonylContact C-O 3.08Å; Q189-V223 WeakPolarHBondContact CA-O 3.39Å; L190-V223 HydrophobicContact CB-CB 4.22Å; L190-V223 HydrophobicContact CB-CG1 4.09Å; L190-V223 HydrophobicContact CD1-CG1 4.09Å; L190-V223 HydrophobicContact CG-CG1 4.44Å; L190-V223 PolarHBondContact N-O 3.06Å; V223-T322 HydrophobicContact CG1-CG2 3.76Å; V223-V323 WeakPolarHBondContact CA-O 3.45Å; V223-L324 HydrophobicContact CG1-CD1 4.01Å; V223-L324 HydrophobicContact CG1-CG 4.46Å; V223-L324 HydrophobicContact CG2-CD1 4.46Å; V223-L324 HydrophobicContact CG2-CG 4.05Å
224Y98.9Very high98.5Very high0 Ų041.3 Ų41.30%021%0.205CC..EExtended strand (participates in β ladder)trans-131.1137.1178.8-74.2-90.4000111.7V157 H188 Q189 K199 F218 E222 T322 V323 L325V157-Y224 HydrophobicContact CG1-CD2 4.25Å; V157-Y224 HydrophobicContact CG1-CG 4.41Å; H188-Y224 WeakPolarHBondContact O-CA 3.36Å; Q189-Y224 HydrophobicContact CB-CD1 4.14Å; Q189-Y224 HydrophobicContact CB-CE1 3.69Å; Q189-Y224 HydrophobicContact CG-CE1 4.37Å; K199-Y224 HydrophobicContact CB-CE1 4.4Å; K199-Y224 WeakPolarHBondContact CB-OH 3.46Å; F218-Y224 HydrophobicContact CD1-CD2 4.39Å; F218-Y224 HydrophobicContact CD1-CE1 4.21Å; F218-Y224 AromaticContact CD1-CE2 3.65Å; F218-Y224 HydrophobicContact CD1-CE2 3.65Å; F218-Y224 AromaticContact CD1-CZ 3.56Å; F218-Y224 AromaticContact CE1-CE1 4Å; F218-Y224 HydrophobicContact CE1-CE1 4Å; F218-Y224 HydrophobicContact CE1-CE2 4.17Å; F218-Y224 AromaticContact CE1-CZ 3.83Å; E222-Y224 HydrophobicContact CB-CD2 4.34Å; E222-Y224 HydrophobicContact CB-CE2 3.72Å; E222-Y224 WeakPolarHBondContact OE2-CE2 3.49Å; E222-Y224 PolarHBondContact OE2-OH 2.67Å; E222-Y224 VanDerWaalsContact OE2-OH 3.11Å; Y224-T322 CarbonylContact O-C 3.58Å; Y224-T322 WeakPolarHBondContact O-CA 3.32Å; Y224-V323 PolarHBondContact N-O 3.03Å; Y224-V323 PolarHBondContact O-N 3.33Å; Y224-L325 HydrophobicContact CD2-CD1 4.08Å; Y224-L325 HydrophobicContact CD2-CG 4.41Å; Y224-L325 HydrophobicContact CE2-CD1 3.97Å
225A98.9Very high98.5Very high8 Ų834 Ų347%0.06617%0.171CC..EExtended strand (participates in β ladder)trans-89.797.3158.300000108.1N120 S187 H188 L190 D227N120-A225 HydrophobicContact CB-CB 4.4Å; S187-A225 WeakPolarHBondContact CA-O 3.41Å; S187-A225 WeakPolarHBondContact CB-O 3.47Å; H188-A225 PolarHBondContact N-O 2.76Å; H188-A225 PolarHBondContact O-N 3.19Å; L190-A225 HydrophobicContact CD1-CB 3.99Å; L190-A225 HydrophobicContact CD2-CB 3.95Å; L190-A225 HydrophobicContact CG-CB 4.11Å; A225-D227 PolarHBondContact O-N 2.89Å
226V98.9Very high98.6Very high0 Ų032.1 Ų32.10%016%0.162CC..EExtended strand (participates in β ladder)trans-78.7120.1174.5179.90000107.9A153 V157 W170 V228 K320 F321 V323A153-V226 HydrophobicContact CB-CG1 3.72Å; V157-V226 HydrophobicContact CG2-CG2 4.22Å; W170-V226 HydrophobicContact CH2-CG1 4.21Å; W170-V226 HydrophobicContact CZ2-CG1 3.79Å; V226-V228 HydrophobicContact CG1-CG2 4.36Å; V226-K320 CarbonylContact O-C 3.5Å; V226-K320 WeakPolarHBondContact O-CA 3.35Å; V226-K320 WeakPolarHBondContact O-CG 3.28Å; V226-F321 HydrophobicContact CB-CD1 4.4Å; V226-F321 HydrophobicContact CB-CD2 4.34Å; V226-F321 HydrophobicContact CB-CE1 3.96Å; V226-F321 HydrophobicContact CB-CE2 3.91Å; V226-F321 HydrophobicContact CB-CZ 3.71Å; V226-F321 HydrophobicContact CG1-CE1 3.85Å; V226-F321 HydrophobicContact CG1-CE2 4.46Å; V226-F321 HydrophobicContact CG1-CZ 3.77Å; V226-F321 HydrophobicContact CG2-CE2 3.96Å; V226-F321 HydrophobicContact CG2-CZ 4.04Å; V226-F321 PolarHBondContact N-O 2.94Å; V226-F321 PolarHBondContact O-N 2.99Å; V226-V323 HydrophobicContact CG2-CG1 4.04Å
227D98.9Very high98.6Very high17 Ų1732.7 Ų32.79%0.09117%0.167CC..EExtended strand (participates in β ladder)trans-121.7112-179-166.810.4000110.3S187 Q203 A225 Q318 K320S187-D227 PolarHBondContact OG-N 3.21Å; S187-D227 PolarHBondContact OG-O 2.96Å; Q203-D227 PolarHBondContact NE2-O 2.92Å; A225-D227 PolarHBondContact O-N 2.89Å; D227-Q318 WeakPolarHBondContact OD1-CG 3.42Å; D227-Q318 PolarHBondContact OD1-NE2 2.78Å; D227-Q318 PolarHBondContact OD2-NE2 2.9Å; D227-K320 HydrophobicContact CB-CB 4.35Å; D227-K320 HydrophobicContact CB-CD 4.39Å; D227-K320 HydrophobicContact CB-CG 4.07Å; D227-K320 VanDerWaalsContact OD1-CE 3.3Å; D227-K320 WeakPolarHBondContact OD1-CE 3.37Å; D227-K320 WeakPolarHBondContact OD2-CE 3.5Å; D227-K320 IonicContact OD2-NZ 2.73Å; D227-K320 PolarHBondContact OD2-NZ 3.44Å; D227-K320 VanDerWaalsContact OD2-NZ 3.17Å
228V98.9Very high98.5Very high0 Ų034.8 Ų34.80%018%0.175CC..EExtended strand (participates in β ladder)trans-104.6122.3-180175.20000108.6A146 C149 A150 W170 V226 V230 Q318 F319A146-V228 HydrophobicContact CB-CG1 4.25Å; C149-V228 HydrophobicContact CB-CG1 3.51Å; C149-V228 HydrophobicContact CB-CG2 4.32Å; A150-V228 HydrophobicContact CB-CG2 4.3Å; W170-V228 HydrophobicContact CH2-CG2 4.37Å; W170-V228 HydrophobicContact CZ2-CG2 3.55Å; V226-V228 HydrophobicContact CG1-CG2 4.36Å; V228-V230 HydrophobicContact CG1-CG2 3.84Å; V228-Q318 CarbonylContact O-C 3.54Å; V228-Q318 WeakPolarHBondContact O-CA 3.32Å; V228-F319 PolarHBondContact N-O 3.47Å; V228-F319 PolarHBondContact O-N 2.94Å
229L98.9Very high98.3Very high3 Ų338.6 Ų38.62%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-127.5110.8177.7-75.4153.1000108.4V86 P181 I182 M185 Q203 V316 A317 Q318V86-L229 HydrophobicContact CG1-CD2 4.08Å; P181-L229 WeakPolarHBondContact CA-O 3.24Å; I182-L229 HydrophobicContact CB-CB 4.23Å; I182-L229 HydrophobicContact CG1-CB 3.86Å; I182-L229 PolarHBondContact N-O 3.34Å; M185-L229 HydrophobicContact CB-CD1 4.25Å; M185-L229 HydrophobicContact CG-CD1 3.88Å; M185-L229 HydrophobicContact SD-CD1 4.2Å; Q203-L229 PolarHBondContact OE1-O 3.17Å; L229-V316 HydrophobicContact CD2-CG1 4.26Å; L229-A317 WeakPolarHBondContact CA-O 3.36Å; L229-Q318 HydrophobicContact CD2-CB 3.73Å; L229-Q318 HydrophobicContact CD2-CG 3.6Å; L229-Q318 HydrophobicContact CG-CB 4.49Å; L229-Q318 HydrophobicContact CG-CG 4.01Å
230V98.9Very high98.1Very high0 Ų037.1 Ų37.10%020%0.201CC..EExtended strand (participates in β ladder)trans-120131.1-178.2-175.40000109.8V142 A145 A146 A174 C179 V228 V316 A317V142-V230 HydrophobicContact CG2-CB 4.29Å; V142-V230 HydrophobicContact CG2-CG1 4.08Å; V142-V230 WeakPolarHBondContact CG2-O 3.22Å; A145-V230 HydrophobicContact CB-CG1 4.21Å; A146-V230 HydrophobicContact CB-CB 4Å; A146-V230 HydrophobicContact CB-CG2 3.89Å; A174-V230 HydrophobicContact CB-CG1 4.05Å; C179-V230 HydrophobicContact CB-CG1 3.6Å; V228-V230 HydrophobicContact CG1-CG2 3.84Å; V230-V316 CarbonylContact O-C 3.57Å; V230-V316 VanDerWaalsContact O-CA 3.31Å; V230-V316 WeakPolarHBondContact O-CA 3.17Å; V230-A317 PolarHBondContact N-O 2.67Å; V230-A317 PolarHBondContact O-N 2.96Å
231S98.9Very high97.9Very high0 Ų037.4 Ų37.40%022%0.217CC..EExtended strand (participates in β ladder)trans-97.5144.3175.8179.20000110.9C179 T180 G233 E310C179-S231 WeakPolarHBondContact CA-O 3.43Å; C179-S231 VanDerWaalsContact CB-O 3.27Å; C179-S231 WeakPolarHBondContact CB-O 3.33Å; T180-S231 PolarHBondContact N-O 2.89Å; T180-S231 PolarHBondContact O-N 2.82Å; S231-G233 PolarHBondContact O-N 3.14Å; S231-G233 PolarHBondContact OG-N 3.44Å; S231-E310 WeakPolarHBondContact CB-OE1 3.31Å; S231-E310 WeakPolarHBondContact OG-CG 3.47Å; S231-E310 PolarHBondContact OG-OE1 2.7Å
232S98.9Very high97.9Very high9 Ų936.9 Ų36.96%0.06322%0.215CC..SBendtrans-73.3-12.2165.960.40000113.3R138 E314 F315R138-S232 PolarHBondContact NH2-O 2.86Å; S232-E314 WeakPolarHBondContact CB-OE2 3.3Å; S232-E314 PolarHBondContact OG-OE2 2.79Å; S232-F315 PolarHBondContact N-O 3.3Å; S232-F315 PolarHBondContact OG-N 2.96Å; S232-F315 PolarHBondContact OG-O 3.16Å
233G98.5Very high97.8Very high16 Ų1640.8 Ų40.817%0.16523%0.229CC..SBendtrans-108.3-138.4-178.200000113.5T180 S231 G235 E314T180-G233 WeakPolarHBondContact CB-O 3.47Å; T180-G233 PolarHBondContact OG1-O 2.65Å; S231-G233 PolarHBondContact O-N 3.14Å; S231-G233 PolarHBondContact OG-N 3.44Å; G233-G235 VanDerWaalsContact C-N 3.34Å; G233-G235 PolarHBondContact O-N 2.8Å; G233-E314 WeakPolarHBondContact CA-OE2 3.48Å; G233-E314 PolarHBondContact N-OE2 3.33Å
234E98.3Very high97.8Very high136 Ų13641.3 Ų41.364%0.63623%0.232SC*.  trans-75.7-16.7-170.6-67.7-175.1-164.400114.6T180 K236T180-E234 WeakPolarHBondContact CG2-O 3.4Å; E234-K236 VanDerWaalsContact C-N 3.34Å; E234-K236 HydrophobicContact CB-CG 4.5Å
235G98.1Very high97.8Very high0 Ų041.4 Ų41.40%023%0.233CC..  trans78.416.9-176.700000113.8I182 E183 G233 E310I182-G235 WeakPolarHBondContact CA-O 3.26Å; E183-G235 PolarHBondContact N-O 3.09Å; G233-G235 VanDerWaalsContact C-N 3.34Å; G233-G235 PolarHBondContact O-N 2.8Å; G235-E310 VanDerWaalsContact CA-OE1 3.27Å; G235-E310 WeakPolarHBondContact CA-OE1 3.35Å; G235-E310 PolarHBondContact N-OE1 3.28Å
236K98.1Very high97.8Very high107 Ų10741 Ų4147%0.46523%0.23SC..  trans-111.878.4-173.5-67.9-175.7-179.9176.50111.3E234 E310E234-K236 VanDerWaalsContact C-N 3.34Å; E234-K236 HydrophobicContact CB-CG 4.5Å; K236-E310 PolarHBondContact N-OE1 2.92Å
237A97.1Very high97.8Very high25 Ų2542.3 Ų42.321%0.20724%0.235CC..  trans-64136.8179.700000112V86 I182 L308 Y309V86-A237 HydrophobicContact CG2-CB 3.82Å; I182-A237 HydrophobicContact CG2-CB 3.62Å; A237-L308 HydrophobicContact CB-CB 4.01Å; A237-L308 HydrophobicContact CB-CD1 4.12Å; A237-Y309 WeakPolarHBondContact CA-O 3.46Å
238K97.1Very high97.8Very high149 Ų14942 Ų4265%0.64823%0.233SC*.EExtended strand (participates in β ladder)trans-134151.6179.1-63.8179.4-173.9175.70111.1Y309K238-Y309 PolarHBondContact N-O 3.2Å; K238-Y309 PolarHBondContact O-N 3.39Å
239D95.6Very high97.8Very high81 Ų8144.2 Ų44.243%0.43324%0.241SC..EExtended strand (participates in β ladder)trans-68.5134.5166-168.4-35.8000109.2G241 L308D239-G241 WeakPolarHBondContact OD1-CA 3.09Å; D239-G241 PolarHBondContact OD1-N 2.84Å; D239-L308 HydrophobicContact CB-CD2 4.35Å
240A93.8Very high97.7Very high75 Ų7546 Ų4662%0.6225%0.25SS*.  trans-11218.1-179.700000113.2Y309A240-Y309 HydrophobicContact CB-CD2 3.63Å; A240-Y309 HydrophobicContact CB-CE2 4.24Å; A240-Y309 HydrophobicContact CB-CG 4.1Å
241G93.8Very high97.6Very high72 Ų7250 Ų5074%0.74228%0.277SS*.SBendtrans83.79.1-176.900000114.1D239D239-G241 WeakPolarHBondContact OD1-CA 3.09Å; D239-G241 PolarHBondContact OD1-N 2.84Å
242Q96.8Very high97.4Very high56 Ų5654.5 Ų54.526%0.26231%0.308SS..PPolyproline II helixtrans-71.3135.7175.1-17562.44400109.5F89 T244 V307 Y309F89-Q242 HydrophobicContact CD2-CG 4.3Å; F89-Q242 HydrophobicContact CE2-CG 4.29Å; Q242-T244 PolarHBondContact O-N 2.65Å; Q242-V307 HydrophobicContact CB-CB 4.11Å; Q242-V307 HydrophobicContact CB-CG1 4.34Å; Q242-V307 HydrophobicContact CG-CB 3.95Å; Q242-V307 HydrophobicContact CG-CG1 4.03Å; Q242-V307 HydrophobicContact CG-CG2 4.09Å; Q242-Y309 HydrophobicContact CB-CE2 3.74Å; Q242-Y309 HydrophobicContact CG-CE2 4.31Å
243R97.6Very high97.3Very high99 Ų9958 Ų5837%0.37432%0.322SS..PPolyproline II helixtrans-62.6127.9-179.1178.5179.7-69.61532.6111.2D95 T245D95-R243 IonicContact OD1-CZ 3.92Å; D95-R243 IonicContact OD1-NE 2.72Å; D95-R243 IonicContact OD1-NH1 2.75Å; D95-R243 PolarHBondContact OD1-NH1 2.9Å; R243-T245 HydrophobicContact CG-CG2 4.27Å; R243-T245 PolarHBondContact O-N 3.11Å
244T98.6Very high97.2Very high14 Ų1466.6 Ų66.69%0.08636%0.358CS..PPolyproline II helixtrans-71120.2165.5-56.50000111Q242 I246 Y247 P304 F305 N306Q242-T244 PolarHBondContact O-N 2.65Å; T244-I246 WeakPolarHBondContact CG2-O 3.36Å; T244-Y247 HydrophobicContact CG2-CE1 4.33Å; T244-Y247 HydrophobicContact CG2-CE2 4.12Å; T244-Y247 WeakPolarHBondContact O-CE2 3.4Å; T244-Y247 PolarHBondContact O-OH 2.7Å; T244-P304 HydrophobicContact CG2-CB 3.85Å; T244-F305 WeakPolarHBondContact CG2-O 3.39Å; T244-N306 WeakPolarHBondContact OG1-CA 3.33Å; T244-N306 PolarHBondContact OG1-OD1 3.19Å
245T98.8Very high97.1Very high3 Ų364.3 Ų64.32%0.01834%0.344CS..  trans-112.8-13-178.660.50000113.3S90 L92 R243 T279 L280S90-T245 WeakPolarHBondContact O-CB 3.42Å; S90-T245 PolarHBondContact O-OG1 2.96Å; L92-T245 HydrophobicContact CD1-CG2 4.22Å; L92-T245 HydrophobicContact CD2-CG2 3.92Å; L92-T245 HydrophobicContact CG-CG2 3.67Å; R243-T245 HydrophobicContact CG-CG2 4.27Å; R243-T245 PolarHBondContact O-N 3.11Å; T245-T279 CarbonylContact O-C 3.54Å; T245-T279 VanDerWaalsContact O-CA 3.31Å; T245-T279 WeakPolarHBondContact O-CA 3Å; T245-L280 PolarHBondContact O-N 3.31Å
246I98.9Very high97.1Very high0 Ų066.8 Ų66.80%037%0.369CS..EExtended strand (participates in β ladder)trans-107.1130.7-179.2-58.3169.6000109.5F76 P77 S79 H88 T244 P277 F278 F305F76-I246 HydrophobicContact CE1-CD1 4.32Å; F76-I246 HydrophobicContact CE2-CG2 4.38Å; F76-I246 HydrophobicContact CZ-CD1 4.27Å; F76-I246 HydrophobicContact CZ-CG2 4.42Å; P77-I246 HydrophobicContact CG-CB 4.42Å; P77-I246 HydrophobicContact CG-CD1 3.81Å; P77-I246 HydrophobicContact CG-CG1 3.76Å; P77-I246 HydrophobicContact CG-CG2 3.82Å; S79-I246 VanDerWaalsContact OG-CD1 3.23Å; S79-I246 WeakPolarHBondContact OG-CD1 3.48Å; H88-I246 HydrophobicContact CB-CD1 4.22Å; T244-I246 WeakPolarHBondContact CG2-O 3.36Å; I246-P277 HydrophobicContact CG2-CB 4.34Å; I246-F278 VanDerWaalsContact CA-O 3.3Å; I246-F278 WeakPolarHBondContact CA-O 3.32Å; I246-F305 HydrophobicContact CB-CB 3.85Å; I246-F305 HydrophobicContact CG2-CB 3.77Å; I246-F305 HydrophobicContact CG2-CD2 4.05Å; I246-F305 HydrophobicContact CG2-CG 3.98Å; I246-F305 PolarHBondContact O-N 2.98Å
247Y98.9Very high97.1Very high27 Ų2762.3 Ų62.311%0.10635%0.351CS..EExtended strand (participates in β ladder)trans-137.9156.5179.7-64.9-95.2000110.1T244 P277 F278 L280 V293 A297 L302 Q303 P304T244-Y247 HydrophobicContact CG2-CE1 4.33Å; T244-Y247 HydrophobicContact CG2-CE2 4.12Å; T244-Y247 WeakPolarHBondContact O-CE2 3.4Å; T244-Y247 PolarHBondContact O-OH 2.7Å; Y247-P277 CarbonylContact O-C 3.59Å; Y247-P277 WeakPolarHBondContact O-CA 3.44Å; Y247-F278 PolarHBondContact N-O 3.4Å; Y247-F278 VanDerWaalsContact O-CD1 3.24Å; Y247-F278 WeakPolarHBondContact O-CD1 3.34Å; Y247-F278 WeakPolarHBondContact O-CE1 3.38Å; Y247-F278 PolarHBondContact O-N 3.48Å; Y247-L280 HydrophobicContact CD2-CD1 4.49Å; Y247-L280 HydrophobicContact CD2-CD2 4.21Å; Y247-L280 HydrophobicContact CD2-CG 4.17Å; Y247-L280 HydrophobicContact CE2-CD1 3.93Å; Y247-L280 HydrophobicContact CE2-CD2 4.4Å; Y247-L280 HydrophobicContact CE2-CG 4.09Å; Y247-V293 HydrophobicContact CD1-CG2 3.82Å; Y247-V293 HydrophobicContact CD2-CG2 3.85Å; Y247-V293 HydrophobicContact CE1-CG2 3.66Å; Y247-V293 HydrophobicContact CE2-CG2 3.73Å; Y247-V293 HydrophobicContact CG-CG2 3.92Å; Y247-A297 HydrophobicContact CE1-CB 4.16Å; Y247-L302 HydrophobicContact CD1-CB 4.16Å; Y247-Q303 CarbonylContact C-O 3.54Å; Y247-Q303 WeakPolarHBondContact CA-O 3.32Å; Y247-P304 HydrophobicContact CD1-CB 4.06Å; Y247-P304 HydrophobicContact CE1-CB 3.8Å
248K98.8Very high97.2Very high11 Ų1168.1 Ų68.15%0.04837%0.371CS..EExtended strand (participates in β ladder)trans-130.5140.2171.7-177.4-161.2159.9-1590109I195 D196 A275 P277 L302 Q303 F305I195-K248 HydrophobicContact CG2-CD 3.91Å; D196-K248 IonicContact OD1-NZ 2.73Å; D196-K248 PolarHBondContact OD1-NZ 3.05Å; D196-K248 IonicContact OD2-NZ 3.68Å; D196-K248 PolarHBondContact OD2-NZ 3.44Å; K248-A275 WeakPolarHBondContact CE-O 3.47Å; K248-A275 WeakPolarHBondContact CG-O 3.47Å; K248-P277 HydrophobicContact CB-CB 4.43Å; K248-P277 HydrophobicContact CB-CG 4.07Å; K248-P277 HydrophobicContact CD-CG 4.28Å; K248-P277 HydrophobicContact CG-CG 4.06Å; K248-L302 CarbonylContact O-C 3.59Å; K248-L302 VanDerWaalsContact O-CA 3.24Å; K248-L302 WeakPolarHBondContact O-CA 3.24Å; K248-Q303 PolarHBondContact N-O 3.41Å; K248-Q303 PolarHBondContact O-N 2.75Å; K248-F305 HydrophobicContact CB-CD2 4.45Å; K248-F305 HydrophobicContact CB-CE2 3.59Å; K248-F305 HydrophobicContact CB-CZ 4.4Å
249R98.6Very high97.2Very high45 Ų4565.1 Ų65.117%0.1736%0.361CS..EExtended strand (participates in β ladder)trans-70134.2171.2177.1-170.3168.8-169.58.6111P251 F266 V269 E270 D274 L301 L302R249-P251 WeakPolarHBondContact O-CD 2.83Å; R249-F266 HydrophobicContact CG-CE2 4.15Å; R249-F266 HydrophobicContact CG-CZ 4.23Å; R249-V269 HydrophobicContact CB-CG1 4.31Å; R249-E270 IonicContact CZ-OE1 2.65Å; R249-E270 IonicContact NE-OE1 2.7Å; R249-E270 IonicContact NH1-OE1 3.99Å; R249-E270 PolarHBondContact NH1-OE1 3.35Å; R249-E270 IonicContact NH2-OE1 2.67Å; R249-E270 PolarHBondContact NH2-OE1 2.97Å; R249-D274 WeakPolarHBondContact CB-O 3.4Å; R249-D274 WeakPolarHBondContact CD-O 3.25Å; R249-D274 IonicContact NH1-OD1 3.91Å; R249-L301 WeakPolarHBondContact CA-O 3.25Å; R249-L302 HydrophobicContact CB-CD2 3.97Å
250D97.9Very high97.3Very high40 Ų4069.3 Ų69.321%0.21438%0.375CS..  trans-94.1107.1167-173.9-16.2000109.1S252 K253 L301D250-S252 VanDerWaalsContact CG-OG 3.29Å; D250-S252 PolarHBondContact O-N 3.45Å; D250-S252 VanDerWaalsContact OD1-CB 3.29Å; D250-S252 WeakPolarHBondContact OD1-CB 3.11Å; D250-S252 PolarHBondContact OD1-N 2.75Å; D250-S252 PolarHBondContact OD1-OG 3Å; D250-S252 PolarHBondContact OD2-OG 3.21Å; D250-K253 HydrophobicContact CB-CB 4.4Å; D250-K253 HydrophobicContact CB-CG 4.05Å; D250-K253 PolarHBondContact O-N 3.07Å; D250-K253 VanDerWaalsContact OD2-CG 3.29Å; D250-K253 WeakPolarHBondContact OD2-CG 3.37Å; D250-L301 PolarHBondContact N-O 2.75Å
251P96Very high97.5Very high86 Ų8667.7 Ų67.756%0.55836%0.358SS*.THydrogen-bonded Turntrans-71-15.3-179.630.1-34.8000113.3R249 K253R249-P251 WeakPolarHBondContact O-CD 2.83Å; P251-K253 VanDerWaalsContact C-N 3.26Å; P251-K253 PolarHBondContact O-N 3.07Å
252S95.2Very high97.7Very high93 Ų9364.3 Ų64.365%0.6532%0.322SS*.THydrogen-bonded Turntrans-77.6-13.2177.977.20000113.1D250D250-S252 VanDerWaalsContact CG-OG 3.29Å; D250-S252 PolarHBondContact O-N 3.45Å; D250-S252 VanDerWaalsContact OD1-CB 3.29Å; D250-S252 WeakPolarHBondContact OD1-CB 3.11Å; D250-S252 PolarHBondContact OD1-N 2.75Å; D250-S252 PolarHBondContact OD1-OG 3Å; D250-S252 PolarHBondContact OD2-OG 3.21Å
253K96.8Very high97.8Very high83 Ų8367 Ų6736%0.36133%0.33SS..  trans-105.7132.4-175.1-59.8-69.7-177.21530110.7D250 P251 E300 L301D250-K253 HydrophobicContact CB-CB 4.4Å; D250-K253 HydrophobicContact CB-CG 4.05Å; D250-K253 PolarHBondContact O-N 3.07Å; D250-K253 VanDerWaalsContact OD2-CG 3.29Å; D250-K253 WeakPolarHBondContact OD2-CG 3.37Å; P251-K253 VanDerWaalsContact C-N 3.26Å; P251-K253 PolarHBondContact O-N 3.07Å; K253-E300 HydrophobicContact CD-CB 4.45Å; K253-E300 HydrophobicContact CG-CB 4.39Å; K253-E300 IonicContact NZ-OE2 3.17Å; K253-E300 PolarHBondContact NZ-OE2 2.94Å; K253-L301 HydrophobicContact CB-CD2 4.12Å; K253-L301 WeakPolarHBondContact O-CD2 3.23Å
254Q96.1Very high97.8Very high197 Ų19765.2 Ų65.292%0.92134%0.337SS*.  trans-130131.8176.8-168178.74.900110.6
255Y97.6Very high97.8Very high87 Ų8765 Ų6534%0.34134%0.335SS..  trans-152.6137.3177.6-178.5-98.3000111.6L257 H299Y255-L257 HydrophobicContact CD1-CD2 4.25Å; Y255-L257 PolarHBondContact O-N 2.96Å; Y255-L257 VanDerWaalsContact O-N 3.07Å; Y255-H299 HydrophobicContact CD1-CB 3.79Å; Y255-H299 AromaticContact CD1-CD2 3.83Å; Y255-H299 AromaticContact CD1-CG 3.62Å; Y255-H299 HydrophobicContact CE1-CB 4.24Å; Y255-H299 AromaticContact CE1-CD2 3.39Å; Y255-H299 WeakPolarHBondContact CE1-CD2 3.28Å; Y255-H299 AromaticContact CE1-CE1 3.75Å; Y255-H299 AromaticContact CE1-CG 3.55Å; Y255-H299 AromaticContact CE1-ND1 3.77Å; Y255-H299 AromaticContact CE1-NE2 3.53Å; Y255-H299 AromaticContact CE2-CE1 3.85Å; Y255-H299 AromaticContact CE2-ND1 3.71Å; Y255-H299 HydrophobicContact CG-CB 3.94Å; Y255-H299 AromaticContact CG-CG 4Å; Y255-H299 AromaticContact CZ-CD2 3.87Å; Y255-H299 AromaticContact CZ-CE1 3.37Å; Y255-H299 AromaticContact CZ-CG 3.87Å; Y255-H299 AromaticContact CZ-ND1 3.57Å; Y255-H299 AromaticContact CZ-NE2 3.56Å; Y255-H299 PolarHBondContact OH-CE1 3.09Å; Y255-H299 VanDerWaalsContact OH-CE1 3.3Å; Y255-H299 PolarHBondContact OH-NE2 2.89Å
256G97.8Very high97.8Very high52 Ų5266.2 Ų66.254%0.53634%0.339SS..  trans-79.386177.300000112.5K258G256-K258 WeakPolarHBondContact O-CD 3.43Å; G256-K258 WeakPolarHBondContact O-CE 3.4Å; G256-K258 PolarHBondContact O-N 3.15Å; G256-K258 PolarHBondContact O-NZ 3.06Å
257L98.2Very high97.8Very high13 Ų1369.4 Ų69.47%0.06836%0.362CS..  trans-51.3131.3178-68.9168.9000112.4Y255 R263 F266 E295 L301Y255-L257 HydrophobicContact CD1-CD2 4.25Å; Y255-L257 PolarHBondContact O-N 2.96Å; Y255-L257 VanDerWaalsContact O-N 3.07Å; L257-R263 HydrophobicContact CB-CG 3.7Å; L257-R263 PolarHBondContact O-NH1 3.09Å; L257-F266 HydrophobicContact CD1-CB 3.7Å; L257-F266 HydrophobicContact CD1-CG 4.1Å; L257-E295 HydrophobicContact CD2-CB 4.19Å; L257-E295 HydrophobicContact CD2-CG 3.63Å; L257-L301 HydrophobicContact CD1-CD1 4Å; L257-L301 HydrophobicContact CD2-CD1 3.84Å; L257-L301 HydrophobicContact CG-CD1 3.84Å
258K97.9Very high97.7Very high147 Ų14771.1 Ų71.164%0.63937%0.371SS*.  trans-87.2-37.8-173.7-54.3-55.7178.8-166.10112.1G256 R263 E295G256-K258 WeakPolarHBondContact O-CD 3.43Å; G256-K258 WeakPolarHBondContact O-CE 3.4Å; G256-K258 PolarHBondContact O-N 3.15Å; G256-K258 PolarHBondContact O-NZ 3.06Å; K258-R263 PolarHBondContact O-NH1 3.15Å; K258-E295 WeakPolarHBondContact CB-OE1 3.33Å; K258-E295 PolarHBondContact N-OE1 3.02Å
259M97.6Very high97.7Very high86 Ų8670.6 Ų70.642%0.42437%0.368SS..SBendtrans-80.9136.8-179.6-56.6177.965.800111.4T261 S262 R263 M291 E295M259-T261 PolarHBondContact O-N 3.42Å; M259-S262 PolarHBondContact O-N 3.24Å; M259-R263 PolarHBondContact O-N 2.93Å; M259-R263 VanDerWaalsContact O-N 3.13Å; M259-M291 HydrophobicContact CE-CG 4.22Å; M259-M291 HydrophobicContact CE-SD 4.23Å; M259-E295 VanDerWaalsContact CB-OE2 3.31Å; M259-E295 WeakPolarHBondContact CB-OE2 3.4Å; M259-E295 WeakPolarHBondContact CG-OE2 3.46Å; M259-E295 PolarHBondContact N-OE2 3.38Å
260K97.6Very high97.5Very high169 Ų16971.8 Ų71.874%0.73538%0.376SS*.Hα-helixtrans-59.1-38.5175.9-175.5178.4176.9-178.90111.7R263 A264K260-R263 PolarHBondContact O-N 2.7Å; K260-A264 PolarHBondContact O-N 2.89Å
261T97.7Very high97.5Very high42 Ų4278.8 Ų78.826%0.25840%0.399SS..Hα-helixtrans-64.8-43.4179.1-48.70000112.1M259 A264 F265 K288 M291M259-T261 PolarHBondContact O-N 3.42Å; T261-A264 PolarHBondContact O-N 2.92Å; T261-F265 WeakPolarHBondContact O-CB 3.47Å; T261-F265 PolarHBondContact O-N 2.84Å; T261-K288 HydrophobicContact CG2-CB 4.3Å; T261-M291 HydrophobicContact CG2-CE 3.43Å; T261-M291 VanDerWaalsContact CG2-CE 3.43Å; T261-M291 WeakPolarHBondContact OG1-CE 3.39Å
262S98.3Very high97.5Very high0 Ų079 Ų790%039%0.389CS..Hα-helixtrans-64.7-42.2176.7-44.70000111.8M259 A264 F265 F266 E295M259-S262 PolarHBondContact O-N 3.24Å; S262-A264 PolarHBondContact O-N 3.36Å; S262-F265 PolarHBondContact O-N 3.29Å; S262-F266 WeakPolarHBondContact O-CB 3.33Å; S262-F266 PolarHBondContact O-N 2.95Å; S262-E295 WeakPolarHBondContact CB-OE2 3.43Å; S262-E295 WeakPolarHBondContact OG-CB 3.22Å; S262-E295 PolarHBondContact OG-OE2 2.92Å
263R98.4Very high97.6Very high114 Ų11476.5 Ų76.543%0.4337%0.366SS..Hα-helixtrans-59.5-46.1174.7-73.9-168.7-61.6-831.9112.4L257 K258 M259 K260 S267L257-R263 HydrophobicContact CB-CG 3.7Å; L257-R263 PolarHBondContact O-NH1 3.09Å; K258-R263 PolarHBondContact O-NH1 3.15Å; M259-R263 PolarHBondContact O-N 2.93Å; M259-R263 VanDerWaalsContact O-N 3.13Å; K260-R263 PolarHBondContact O-N 2.7Å; R263-S267 WeakPolarHBondContact O-CB 3.21Å; R263-S267 PolarHBondContact O-N 3.1Å; R263-S267 PolarHBondContact O-OG 3.31Å
264A98.2Very high97.5Very high61 Ų6174.7 Ų74.750%0.50436%0.361SS..Hα-helixtrans-63.6-44.7178.400000111.5K260 T261 S262 S267 E268K260-A264 PolarHBondContact O-N 2.89Å; T261-A264 PolarHBondContact O-N 2.92Å; S262-A264 PolarHBondContact O-N 3.36Å; A264-S267 PolarHBondContact O-N 3.13Å; A264-E268 WeakPolarHBondContact O-CB 3.34Å; A264-E268 PolarHBondContact O-N 3.45Å
265F98.6Very high97.6Very high10 Ų1066 Ų664%0.04432%0.322CS..Hα-helixtrans-60.2-49.2175.8171.3-103.4000112.2T261 S262 S267 E268 V269 F278 L280 F283 A289 V293 L302T261-F265 WeakPolarHBondContact O-CB 3.47Å; T261-F265 PolarHBondContact O-N 2.84Å; S262-F265 PolarHBondContact O-N 3.29Å; F265-S267 PolarHBondContact O-N 3.34Å; F265-E268 WeakPolarHBondContact O-CB 3.4Å; F265-E268 PolarHBondContact O-N 3.15Å; F265-E268 VanDerWaalsContact O-N 3.17Å; F265-V269 HydrophobicContact CE1-CG2 4.14Å; F265-V269 HydrophobicContact CE2-CG2 4.25Å; F265-V269 HydrophobicContact CZ-CG2 3.99Å; F265-V269 WeakPolarHBondContact O-CG2 3.41Å; F265-V269 PolarHBondContact O-N 2.92Å; F265-F278 HydrophobicContact CZ-CE2 4.12Å; F265-F278 HydrophobicContact CZ-CZ 4.25Å; F265-L280 HydrophobicContact CE2-CD2 4.06Å; F265-L280 HydrophobicContact CZ-CD2 3.87Å; F265-F283 HydrophobicContact CD2-CD1 4.1Å; F265-F283 AromaticContact CD2-CE1 3.63Å; F265-F283 HydrophobicContact CD2-CE1 3.63Å; F265-F283 HydrophobicContact CD2-CE2 4.47Å; F265-F283 AromaticContact CD2-CZ 3.85Å; F265-F283 HydrophobicContact CD2-CZ 3.85Å; F265-F283 HydrophobicContact CE2-CD1 4.16Å; F265-F283 HydrophobicContact CE2-CD2 4.15Å; F265-F283 AromaticContact CE2-CE1 3.63Å; F265-F283 HydrophobicContact CE2-CE1 3.63Å; F265-F283 AromaticContact CE2-CE2 3.65Å; F265-F283 HydrophobicContact CE2-CE2 3.65Å; F265-F283 HydrophobicContact CE2-CG 4.4Å; F265-F283 AromaticContact CE2-CZ 3.35Å; F265-F283 HydrophobicContact CE2-CZ 3.35Å; F265-F283 HydrophobicContact CZ-CE2 4.38Å; F265-F283 HydrophobicContact CZ-CZ 4.16Å; F265-A289 HydrophobicContact CD2-CB 4.28Å; F265-A289 HydrophobicContact CE2-CB 4.03Å; F265-V293 HydrophobicContact CE1-CB 3.87Å; F265-V293 HydrophobicContact CE1-CG2 4.2Å; F265-V293 HydrophobicContact CZ-CB 3.9Å; F265-V293 HydrophobicContact CZ-CG2 4.2Å; F265-L302 HydrophobicContact CE1-CD1 3.63Å; F265-L302 HydrophobicContact CZ-CD1 4.22Å
266F98.5Very high97.6Very high27 Ų2762.1 Ų62.112%0.11831%0.308CS..Hα-helixtrans-62.5-43.9179.6-170.5-102000111.8R249 L257 S262 E268 V269 E270 L301R249-F266 HydrophobicContact CG-CE2 4.15Å; R249-F266 HydrophobicContact CG-CZ 4.23Å; L257-F266 HydrophobicContact CD1-CB 3.7Å; L257-F266 HydrophobicContact CD1-CG 4.1Å; S262-F266 WeakPolarHBondContact O-CB 3.33Å; S262-F266 PolarHBondContact O-N 2.95Å; F266-E268 PolarHBondContact O-N 3.2Å; F266-V269 WeakPolarHBondContact O-CB 3.37Å; F266-V269 PolarHBondContact O-N 2.69Å; F266-V269 VanDerWaalsContact O-N 3.08Å; F266-E270 HydrophobicContact CD1-CG 4.1Å; F266-E270 VanDerWaalsContact CE1-CD 3.44Å; F266-E270 HydrophobicContact CE1-CG 3.84Å; F266-E270 WeakPolarHBondContact CE1-OE1 3.36Å; F266-E270 HydrophobicContact CZ-CG 4.25Å; F266-E270 WeakPolarHBondContact O-CG 3.18Å; F266-E270 PolarHBondContact O-N 3.06Å; F266-L301 HydrophobicContact CD2-CB 4.33Å; F266-L301 HydrophobicContact CD2-CD1 4.35Å; F266-L301 HydrophobicContact CE2-CB 3.77Å; F266-L301 HydrophobicContact CE2-CD1 4.22Å; F266-L301 HydrophobicContact CZ-CB 4.41Å; F266-L301 HydrophobicContact CZ-CD1 4.49Å
267S98.2Very high97.7Very high67 Ų6759.7 Ų59.747%0.46928%0.282SS..Hα-helixtrans-60.5-36.2175.8-53.80000112.1R263 A264 F265 R271R263-S267 WeakPolarHBondContact O-CB 3.21Å; R263-S267 PolarHBondContact O-N 3.1Å; R263-S267 PolarHBondContact O-OG 3.31Å; A264-S267 PolarHBondContact O-N 3.13Å; F265-S267 PolarHBondContact O-N 3.34Å; S267-R271 WeakPolarHBondContact O-CB 3.5Å; S267-R271 PolarHBondContact O-N 3.15Å
268E98.2Very high97.7Very high63 Ų6359.3 Ų59.329%0.29428%0.28SS..Hα-helixtrans-69-39.7174.9-176.6177.5173.600112A264 F265 F266 R271 R272 F283A264-E268 WeakPolarHBondContact O-CB 3.34Å; A264-E268 PolarHBondContact O-N 3.45Å; F265-E268 WeakPolarHBondContact O-CB 3.4Å; F265-E268 PolarHBondContact O-N 3.15Å; F265-E268 VanDerWaalsContact O-N 3.17Å; F266-E268 PolarHBondContact O-N 3.2Å; E268-R271 PolarHBondContact O-N 2.86Å; E268-R272 VanDerWaalsContact CG-CD 3.4Å; E268-R272 HydrophobicContact CG-CG 4.16Å; E268-R272 VanDerWaalsContact O-CB 3.32Å; E268-R272 WeakPolarHBondContact O-CB 3.44Å; E268-R272 VanDerWaalsContact O-CG 3.27Å; E268-R272 WeakPolarHBondContact O-CG 3.34Å; E268-R272 PolarHBondContact O-N 3.42Å; E268-R272 WeakPolarHBondContact OE1-CD 3.43Å; E268-R272 IonicContact OE1-CZ 2.76Å; E268-R272 IonicContact OE1-NE 3.64Å; E268-R272 IonicContact OE1-NH1 2.7Å; E268-R272 PolarHBondContact OE1-NH1 2.85Å; E268-F283 HydrophobicContact CB-CE1 4.24Å; E268-F283 HydrophobicContact CG-CD1 4.39Å; E268-F283 HydrophobicContact CG-CE1 3.86Å
269V98.3Very high97.8Very high0 Ų052.5 Ų52.50%025%0.251CS..Hα-helixtrans-58.4-52.7173.7169.50000110.9R249 F265 F266 R271 R272 F273 D274 F278 F283 L302R249-V269 HydrophobicContact CB-CG1 4.31Å; F265-V269 HydrophobicContact CE1-CG2 4.14Å; F265-V269 HydrophobicContact CE2-CG2 4.25Å; F265-V269 HydrophobicContact CZ-CG2 3.99Å; F265-V269 WeakPolarHBondContact O-CG2 3.41Å; F265-V269 PolarHBondContact O-N 2.92Å; F266-V269 WeakPolarHBondContact O-CB 3.37Å; F266-V269 PolarHBondContact O-N 2.69Å; F266-V269 VanDerWaalsContact O-N 3.08Å; V269-R271 VanDerWaalsContact C-N 3.28Å; V269-R271 PolarHBondContact O-N 3.16Å; V269-R272 PolarHBondContact O-N 3.41Å; V269-F273 HydrophobicContact CG1-CD2 4.47Å; V269-F273 PolarHBondContact O-N 3.39Å; V269-D274 PolarHBondContact O-N 3.41Å; V269-F278 HydrophobicContact CB-CE1 4.35Å; V269-F278 HydrophobicContact CB-CZ 4.37Å; V269-F278 HydrophobicContact CG1-CD1 4.13Å; V269-F278 HydrophobicContact CG1-CE1 3.44Å; V269-F278 VanDerWaalsContact CG1-CE1 3.44Å; V269-F278 HydrophobicContact CG1-CZ 3.9Å; V269-F278 HydrophobicContact CG2-CE1 3.91Å; V269-F278 HydrophobicContact CG2-CE2 3.98Å; V269-F278 HydrophobicContact CG2-CZ 3.47Å; V269-F278 VanDerWaalsContact CG2-CZ 3.47Å; V269-F283 HydrophobicContact CG2-CE1 4.45Å; V269-F283 HydrophobicContact CG2-CZ 3.73Å; V269-L302 HydrophobicContact CG1-CD2 4.31Å
270E95.3Very high97.8Very high70 Ų7048.5 Ų48.533%0.32723%0.231SC..Hα-helixtrans-57-43.3-179.1-64.3-173.7121.800111.6R249 F266 D274R249-E270 IonicContact CZ-OE1 2.65Å; R249-E270 IonicContact NE-OE1 2.7Å; R249-E270 IonicContact NH1-OE1 3.99Å; R249-E270 PolarHBondContact NH1-OE1 3.35Å; R249-E270 IonicContact NH2-OE1 2.67Å; R249-E270 PolarHBondContact NH2-OE1 2.97Å; F266-E270 HydrophobicContact CD1-CG 4.1Å; F266-E270 VanDerWaalsContact CE1-CD 3.44Å; F266-E270 HydrophobicContact CE1-CG 3.84Å; F266-E270 WeakPolarHBondContact CE1-OE1 3.36Å; F266-E270 HydrophobicContact CZ-CG 4.25Å; F266-E270 WeakPolarHBondContact O-CG 3.18Å; F266-E270 PolarHBondContact O-N 3.06Å; E270-D274 WeakPolarHBondContact O-CA 3.28Å; E270-D274 PolarHBondContact O-N 3.37Å
271R96.3Very high97.8Very high187 Ų18741.8 Ų41.871%0.70620%0.201SC*.Hα-helixtrans-69.3-38.2-179.4-174-175.863.480.7-0.2113.2S267 E268 V269S267-R271 WeakPolarHBondContact O-CB 3.5Å; S267-R271 PolarHBondContact O-N 3.15Å; E268-R271 PolarHBondContact O-N 2.86Å; V269-R271 VanDerWaalsContact C-N 3.28Å; V269-R271 PolarHBondContact O-N 3.16Å
272R96.6Very high97.9Very high91 Ų9141.5 Ų41.534%0.34320%0.203SC..Hα-helixtrans-93.4-38.5-170-68.8177.166.6-171.9-6.3113.7E268 V269 A282E268-R272 VanDerWaalsContact CG-CD 3.4Å; E268-R272 HydrophobicContact CG-CG 4.16Å; E268-R272 VanDerWaalsContact O-CB 3.32Å; E268-R272 WeakPolarHBondContact O-CB 3.44Å; E268-R272 VanDerWaalsContact O-CG 3.27Å; E268-R272 WeakPolarHBondContact O-CG 3.34Å; E268-R272 PolarHBondContact O-N 3.42Å; E268-R272 WeakPolarHBondContact OE1-CD 3.43Å; E268-R272 IonicContact OE1-CZ 2.76Å; E268-R272 IonicContact OE1-NE 3.64Å; E268-R272 IonicContact OE1-NH1 2.7Å; E268-R272 PolarHBondContact OE1-NH1 2.85Å; V269-R272 PolarHBondContact O-N 3.41Å; R272-A282 VanDerWaalsContact CZ-O 3.28Å; R272-A282 PolarHBondContact NH1-O 3.15Å; R272-A282 PolarHBondContact NH2-O 2.75Å
273F97.4Very high97.9Very high40 Ų4042.2 Ų42.218%0.17521%0.206CC..THydrogen-bonded Turntrans-122.2-15.1-170-47.6-61.5000112.4V269 A275 M276 F278 A282 F283V269-F273 HydrophobicContact CG1-CD2 4.47Å; V269-F273 PolarHBondContact O-N 3.39Å; F273-A275 PolarHBondContact O-N 2.8Å; F273-A275 VanDerWaalsContact O-N 3.09Å; F273-M276 WeakPolarHBondContact O-CB 3.46Å; F273-M276 PolarHBondContact O-N 3.02Å; F273-F278 HydrophobicContact CB-CB 4.26Å; F273-F278 HydrophobicContact CB-CD1 4.16Å; F273-F278 HydrophobicContact CB-CG 4.49Å; F273-F278 HydrophobicContact CD1-CB 3.91Å; F273-F278 HydrophobicContact CD2-CB 3.65Å; F273-F278 AromaticContact CD2-CD1 3.8Å; F273-F278 HydrophobicContact CD2-CD1 3.8Å; F273-F278 HydrophobicContact CD2-CD2 4.1Å; F273-F278 AromaticContact CD2-CG 3.57Å; F273-F278 HydrophobicContact CD2-CG 3.57Å; F273-F278 HydrophobicContact CE1-CB 4.14Å; F273-F278 HydrophobicContact CE2-CB 3.91Å; F273-F278 HydrophobicContact CE2-CD2 4.06Å; F273-F278 AromaticContact CE2-CG 3.92Å; F273-F278 HydrophobicContact CE2-CG 3.92Å; F273-F278 HydrophobicContact CG-CB 3.66Å; F273-F278 HydrophobicContact CG-CD1 4.15Å; F273-F278 HydrophobicContact CG-CG 4.01Å; F273-F278 HydrophobicContact CZ-CB 4.14Å; F273-A282 HydrophobicContact CE1-CB 4.36Å; F273-A282 HydrophobicContact CZ-CB 3.73Å; F273-F283 AromaticContact CE2-CE2 3.99Å; F273-F283 HydrophobicContact CE2-CE2 3.99Å; F273-F283 AromaticContact CE2-CZ 3.82Å; F273-F283 HydrophobicContact CE2-CZ 3.82Å
274D95.5Very high97.6Very high46 Ų4646.5 Ų46.525%0.24623%0.231CC..THydrogen-bonded Turntrans55.7-110.9-175.2-165.113.2000111K71 R249 V269 E270K71-D274 IonicContact NZ-OD2 2.6Å; K71-D274 PolarHBondContact NZ-OD2 3.31Å; R249-D274 WeakPolarHBondContact CB-O 3.4Å; R249-D274 WeakPolarHBondContact CD-O 3.25Å; R249-D274 IonicContact NH1-OD1 3.91Å; V269-D274 PolarHBondContact O-N 3.41Å; E270-D274 WeakPolarHBondContact O-CA 3.28Å; E270-D274 PolarHBondContact O-N 3.37Å
275A97.1Very high97.5Very high13 Ų1346.5 Ų46.511%0.10722%0.222CC..THydrogen-bonded Turntrans-107.59.8174.600000113.7K248 F273K248-A275 WeakPolarHBondContact CE-O 3.47Å; K248-A275 WeakPolarHBondContact CG-O 3.47Å; F273-A275 PolarHBondContact O-N 2.8Å; F273-A275 VanDerWaalsContact O-N 3.09Å
276M98.6Very high97.4Very high7 Ų747.6 Ų47.63%0.03423%0.228CC..SBendtrans-78.7144.2176.9-65.4-66.1173.700111.4A75 H113 I118 F273A75-M276 HydrophobicContact CB-SD 4.16Å; H113-M276 HydrophobicContact CB-CE 3.98Å; I118-M276 HydrophobicContact CD1-CE 3.89Å; I118-M276 HydrophobicContact CD1-SD 4.02Å; I118-M276 HydrophobicContact CG1-CE 3.78Å; I118-M276 HydrophobicContact CG1-SD 4.1Å; F273-M276 WeakPolarHBondContact O-CB 3.46Å; F273-M276 PolarHBondContact O-N 3.02Å
277P98.9Very high97.3Very high1 Ų153.9 Ų53.91%0.00626%0.255CS..  trans-54.3139.7167.3-28.233.8000113.3A75 F76 I195 I246 Y247 K248 F305A75-P277 VanDerWaalsContact O-CD 3.25Å; A75-P277 WeakPolarHBondContact O-CD 3.49Å; F76-P277 HydrophobicContact CD2-CB 3.8Å; F76-P277 HydrophobicContact CD2-CG 3.96Å; F76-P277 HydrophobicContact CE2-CB 4.21Å; F76-P277 HydrophobicContact CE2-CG 4.46Å; I195-P277 HydrophobicContact CD1-CG 4.01Å; I195-P277 HydrophobicContact CG2-CG 4.21Å; I246-P277 HydrophobicContact CG2-CB 4.34Å; Y247-P277 CarbonylContact O-C 3.59Å; Y247-P277 WeakPolarHBondContact O-CA 3.44Å; K248-P277 HydrophobicContact CB-CB 4.43Å; K248-P277 HydrophobicContact CB-CG 4.07Å; K248-P277 HydrophobicContact CD-CG 4.28Å; K248-P277 HydrophobicContact CG-CG 4.06Å; P277-F305 HydrophobicContact CB-CE2 4.48Å; P277-F305 HydrophobicContact CG-CE2 4.24Å; P277-F305 HydrophobicContact CG-CZ 4.12Å
278F98.9Very high97.2Very high4 Ų456.5 Ų56.52%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-141.3155.7179.665.2-89.4000111.1I246 Y247 F265 V269 F273 L280 F283 L302I246-F278 VanDerWaalsContact CA-O 3.3Å; I246-F278 WeakPolarHBondContact CA-O 3.32Å; Y247-F278 PolarHBondContact N-O 3.4Å; Y247-F278 VanDerWaalsContact O-CD1 3.24Å; Y247-F278 WeakPolarHBondContact O-CD1 3.34Å; Y247-F278 WeakPolarHBondContact O-CE1 3.38Å; Y247-F278 PolarHBondContact O-N 3.48Å; F265-F278 HydrophobicContact CZ-CE2 4.12Å; F265-F278 HydrophobicContact CZ-CZ 4.25Å; V269-F278 HydrophobicContact CB-CE1 4.35Å; V269-F278 HydrophobicContact CB-CZ 4.37Å; V269-F278 HydrophobicContact CG1-CD1 4.13Å; V269-F278 HydrophobicContact CG1-CE1 3.44Å; V269-F278 VanDerWaalsContact CG1-CE1 3.44Å; V269-F278 HydrophobicContact CG1-CZ 3.9Å; V269-F278 HydrophobicContact CG2-CE1 3.91Å; V269-F278 HydrophobicContact CG2-CE2 3.98Å; V269-F278 HydrophobicContact CG2-CZ 3.47Å; V269-F278 VanDerWaalsContact CG2-CZ 3.47Å; F273-F278 HydrophobicContact CB-CB 4.26Å; F273-F278 HydrophobicContact CB-CD1 4.16Å; F273-F278 HydrophobicContact CB-CG 4.49Å; F273-F278 HydrophobicContact CD1-CB 3.91Å; F273-F278 HydrophobicContact CD2-CB 3.65Å; F273-F278 AromaticContact CD2-CD1 3.8Å; F273-F278 HydrophobicContact CD2-CD1 3.8Å; F273-F278 HydrophobicContact CD2-CD2 4.1Å; F273-F278 AromaticContact CD2-CG 3.57Å; F273-F278 HydrophobicContact CD2-CG 3.57Å; F273-F278 HydrophobicContact CE1-CB 4.14Å; F273-F278 HydrophobicContact CE2-CB 3.91Å; F273-F278 HydrophobicContact CE2-CD2 4.06Å; F273-F278 AromaticContact CE2-CG 3.92Å; F273-F278 HydrophobicContact CE2-CG 3.92Å; F273-F278 HydrophobicContact CG-CB 3.66Å; F273-F278 HydrophobicContact CG-CD1 4.15Å; F273-F278 HydrophobicContact CG-CG 4.01Å; F273-F278 HydrophobicContact CZ-CB 4.14Å; F278-L280 HydrophobicContact CE2-CD2 4.25Å; F278-F283 AromaticContact CD2-CE2 3.76Å; F278-F283 HydrophobicContact CD2-CE2 3.76Å; F278-F283 HydrophobicContact CD2-CZ 4.36Å; F278-F283 AromaticContact CE2-CE2 3.71Å; F278-F283 HydrophobicContact CE2-CE2 3.71Å; F278-F283 HydrophobicContact CE2-CZ 4.09Å; F278-L302 HydrophobicContact CE1-CD2 4.1Å; F278-L302 HydrophobicContact CZ-CD1 4.1Å; F278-L302 HydrophobicContact CZ-CD2 4.15Å
279T98.9Very high97.2Very high4 Ų453.6 Ų53.63%0.02525%0.245CC..EExtended strand (participates in β ladder)trans-96.9144.4171.8176.40000111.1P77 T245 R281 A282P77-T279 HydrophobicContact CB-CG2 3.87Å; T245-T279 CarbonylContact O-C 3.54Å; T245-T279 VanDerWaalsContact O-CA 3.31Å; T245-T279 WeakPolarHBondContact O-CA 3Å; T279-R281 HydrophobicContact CG2-CB 4.01Å; T279-R281 PolarHBondContact O-N 2.63Å; T279-R281 VanDerWaalsContact O-N 3.13Å; T279-R281 PolarHBondContact OG1-N 3.35Å; T279-A282 WeakPolarHBondContact O-CB 3.12Å; T279-A282 PolarHBondContact O-N 2.92Å
280L98.7Very high97.1Very high2 Ų256.8 Ų56.81%0.0126%0.257CS..G310 helixtrans-61.3-18.8173.7-61.3177.4000112.8L92 T245 Y247 F265 F278 A282 F283 A289 R290 V293L92-L280 HydrophobicContact CD2-CB 3.85Å; T245-L280 PolarHBondContact O-N 3.31Å; Y247-L280 HydrophobicContact CD2-CD1 4.49Å; Y247-L280 HydrophobicContact CD2-CD2 4.21Å; Y247-L280 HydrophobicContact CD2-CG 4.17Å; Y247-L280 HydrophobicContact CE2-CD1 3.93Å; Y247-L280 HydrophobicContact CE2-CD2 4.4Å; Y247-L280 HydrophobicContact CE2-CG 4.09Å; F265-L280 HydrophobicContact CE2-CD2 4.06Å; F265-L280 HydrophobicContact CZ-CD2 3.87Å; F278-L280 HydrophobicContact CE2-CD2 4.25Å; L280-A282 PolarHBondContact O-N 3.04Å; L280-F283 PolarHBondContact O-N 2.77Å; L280-A289 HydrophobicContact CD2-CB 4.4Å; L280-R290 HydrophobicContact CD1-CG 4.35Å; L280-V293 HydrophobicContact CD1-CG1 4.1Å; L280-V293 HydrophobicContact CD2-CB 4.16Å; L280-V293 HydrophobicContact CD2-CG1 4.46Å; L280-V293 HydrophobicContact CD2-CG2 4.19Å
281R98.4Very high97.2Very high29 Ų2957.7 Ų57.711%0.10926%0.262CS..G310 helixtrans-62-21.5173.6-174.2175.961.9-107-4.8112.9D53 S90 P91 L92 T279 F283D53-R281 IonicContact OD2-CZ 3.1Å; D53-R281 IonicContact OD2-NH2 3.9Å; D53-R281 PolarHBondContact OD2-NH2 2.91Å; S90-R281 PolarHBondContact OG-NH1 2.81Å; S90-R281 PolarHBondContact OG-NH2 2.91Å; P91-R281 PolarHBondContact O-NH1 2.88Å; L92-R281 HydrophobicContact CD2-CB 4.07Å; T279-R281 HydrophobicContact CG2-CB 4.01Å; T279-R281 PolarHBondContact O-N 2.63Å; T279-R281 VanDerWaalsContact O-N 3.13Å; T279-R281 PolarHBondContact OG1-N 3.35Å; R281-F283 PolarHBondContact O-N 2.75Å
282A98.1Very high97.2Very high35 Ų3548.8 Ų48.829%0.28923%0.228SC..G310 helixtrans-72.1-9.6179.300000113.6R272 F273 T279 L280R272-A282 VanDerWaalsContact CZ-O 3.28Å; R272-A282 PolarHBondContact NH1-O 3.15Å; R272-A282 PolarHBondContact NH2-O 2.75Å; F273-A282 HydrophobicContact CE1-CB 4.36Å; F273-A282 HydrophobicContact CZ-CB 3.73Å; T279-A282 WeakPolarHBondContact O-CB 3.12Å; T279-A282 PolarHBondContact O-N 2.92Å; L280-A282 PolarHBondContact O-N 3.04Å
283F98.1Very high97.3Very high15 Ų1544.8 Ų44.87%0.06621%0.214CC..SBendtrans-94.4136.1177.7-64.6-96.8000110.6F265 E268 V269 F273 F278 L280 R281 D285 A289F265-F283 HydrophobicContact CD2-CD1 4.1Å; F265-F283 AromaticContact CD2-CE1 3.63Å; F265-F283 HydrophobicContact CD2-CE1 3.63Å; F265-F283 HydrophobicContact CD2-CE2 4.47Å; F265-F283 AromaticContact CD2-CZ 3.85Å; F265-F283 HydrophobicContact CD2-CZ 3.85Å; F265-F283 HydrophobicContact CE2-CD1 4.16Å; F265-F283 HydrophobicContact CE2-CD2 4.15Å; F265-F283 AromaticContact CE2-CE1 3.63Å; F265-F283 HydrophobicContact CE2-CE1 3.63Å; F265-F283 AromaticContact CE2-CE2 3.65Å; F265-F283 HydrophobicContact CE2-CE2 3.65Å; F265-F283 HydrophobicContact CE2-CG 4.4Å; F265-F283 AromaticContact CE2-CZ 3.35Å; F265-F283 HydrophobicContact CE2-CZ 3.35Å; F265-F283 HydrophobicContact CZ-CE2 4.38Å; F265-F283 HydrophobicContact CZ-CZ 4.16Å; E268-F283 HydrophobicContact CB-CE1 4.24Å; E268-F283 HydrophobicContact CG-CD1 4.39Å; E268-F283 HydrophobicContact CG-CE1 3.86Å; V269-F283 HydrophobicContact CG2-CE1 4.45Å; V269-F283 HydrophobicContact CG2-CZ 3.73Å; F273-F283 AromaticContact CE2-CE2 3.99Å; F273-F283 HydrophobicContact CE2-CE2 3.99Å; F273-F283 AromaticContact CE2-CZ 3.82Å; F273-F283 HydrophobicContact CE2-CZ 3.82Å; F278-F283 AromaticContact CD2-CE2 3.76Å; F278-F283 HydrophobicContact CD2-CE2 3.76Å; F278-F283 HydrophobicContact CD2-CZ 4.36Å; F278-F283 AromaticContact CE2-CE2 3.71Å; F278-F283 HydrophobicContact CE2-CE2 3.71Å; F278-F283 HydrophobicContact CE2-CZ 4.09Å; L280-F283 PolarHBondContact O-N 2.77Å; R281-F283 PolarHBondContact O-N 2.75Å; F283-D285 VanDerWaalsContact C-N 3.32Å; F283-D285 PolarHBondContact O-N 3.04Å; F283-A289 HydrophobicContact CB-CB 3.74Å; F283-A289 HydrophobicContact CD1-CB 4.45Å; F283-A289 HydrophobicContact CD2-CB 4.1Å; F283-A289 HydrophobicContact CG-CB 3.85Å
284E93Very high97.3Very high205 Ų20547.5 Ų47.596%0.95823%0.234SC*.SBendtrans-61.3-41.1-179.6-64.3-179.1174.800112.1
285D96Very high97.5Very high61 Ų6146.3 Ų46.333%0.32623%0.227SC..  trans-104.790.7179.1-171.1-27.5000110.7F283 K287 K288 A289F283-D285 VanDerWaalsContact C-N 3.32Å; F283-D285 PolarHBondContact O-N 3.04Å; D285-K287 PolarHBondContact O-N 2.72Å; D285-K287 PolarHBondContact OD1-N 2.76Å; D285-K287 VanDerWaalsContact OD1-N 3.17Å; D285-K288 HydrophobicContact CB-CB 4.15Å; D285-K288 HydrophobicContact CB-CD 4.13Å; D285-K288 HydrophobicContact CB-CG 4.31Å; D285-K288 PolarHBondContact O-N 3.23Å; D285-K288 PolarHBondContact OD1-N 3.48Å; D285-K288 WeakPolarHBondContact OD2-CD 3.36Å; D285-K288 WeakPolarHBondContact OD2-CE 3.37Å; D285-K288 WeakPolarHBondContact OD2-CG 3.26Å; D285-K288 IonicContact OD2-NZ 3.81Å; D285-K288 PolarHBondContact OD2-NZ 3.27Å; D285-A289 PolarHBondContact O-N 2.73Å
286E95.6Very high97.5Very high32 Ų3245.7 Ų45.715%0.1522%0.222CC..Hα-helixtrans-57.4-33.1-179.6-165.1-160.798.400112.7L92 K93 S94 R290L92-E286 HydrophobicContact CD1-CG 3.97Å; K93-E286 PolarHBondContact N-OE2 3.35Å; S94-E286 VanDerWaalsContact CB-OE1 3.3Å; S94-E286 WeakPolarHBondContact CB-OE1 3.31Å; S94-E286 PolarHBondContact N-OE2 3.42Å; S94-E286 PolarHBondContact OG-OE1 2.71Å; E286-R290 WeakPolarHBondContact O-CB 3.23Å; E286-R290 VanDerWaalsContact O-CG 3.32Å; E286-R290 WeakPolarHBondContact O-CG 3.44Å; E286-R290 PolarHBondContact O-N 3.24Å; E286-R290 IonicContact OE1-CZ 3.18Å; E286-R290 IonicContact OE1-NE 2.89Å; E286-R290 PolarHBondContact OE1-NE 3.43Å; E286-R290 IonicContact OE1-NH1 3.45Å; E286-R290 PolarHBondContact OE1-NH1 3.32Å; E286-R290 IonicContact OE1-NH2 3.39Å; E286-R290 PolarHBondContact OE1-NH2 3.08Å
287K96.3Very high97.5Very high159 Ų15946.9 Ų46.969%0.69123%0.232SC*.Hα-helixtrans-68.7-43.8179.6-67.4-176.8-177.3178.80110.8D285 M291D285-K287 PolarHBondContact O-N 2.72Å; D285-K287 PolarHBondContact OD1-N 2.76Å; D285-K287 VanDerWaalsContact OD1-N 3.17Å; K287-M291 PolarHBondContact O-N 2.94Å
288K96.5Very high97.5Very high123 Ų12354.6 Ų54.654%0.53527%0.266SS..Hα-helixtrans-65.6-42.1175.5-74179.2-168.6140.60112T261 D285 M291 G292T261-K288 HydrophobicContact CG2-CB 4.3Å; D285-K288 HydrophobicContact CB-CB 4.15Å; D285-K288 HydrophobicContact CB-CD 4.13Å; D285-K288 HydrophobicContact CB-CG 4.31Å; D285-K288 PolarHBondContact O-N 3.23Å; D285-K288 PolarHBondContact OD1-N 3.48Å; D285-K288 WeakPolarHBondContact OD2-CD 3.36Å; D285-K288 WeakPolarHBondContact OD2-CE 3.37Å; D285-K288 WeakPolarHBondContact OD2-CG 3.26Å; D285-K288 IonicContact OD2-NZ 3.81Å; D285-K288 PolarHBondContact OD2-NZ 3.27Å; K288-M291 PolarHBondContact O-N 3.45Å; K288-G292 PolarHBondContact O-N 3.3Å
289A97.9Very high97.5Very high2 Ų257.2 Ų57.22%0.01728%0.278CS..Hα-helixtrans-59.9-47.7176.700000111.3F265 L280 F283 D285 M291 G292 V293F265-A289 HydrophobicContact CD2-CB 4.28Å; F265-A289 HydrophobicContact CE2-CB 4.03Å; L280-A289 HydrophobicContact CD2-CB 4.4Å; F283-A289 HydrophobicContact CB-CB 3.74Å; F283-A289 HydrophobicContact CD1-CB 4.45Å; F283-A289 HydrophobicContact CD2-CB 4.1Å; F283-A289 HydrophobicContact CG-CB 3.85Å; D285-A289 PolarHBondContact O-N 2.73Å; A289-M291 VanDerWaalsContact C-N 3.31Å; A289-M291 PolarHBondContact O-N 2.93Å; A289-G292 PolarHBondContact O-N 3.1Å; A289-V293 WeakPolarHBondContact O-CB 3.29Å; A289-V293 PolarHBondContact O-N 3.49Å
290R97.4Very high97.4Very high66 Ų6662.5 Ų62.525%0.24930%0.302CS..Hα-helixtrans-61.6-35.6175.8-75.7-172.3-61.2-170.5-5.5113.6L92 S94 L280 E286 V293 V294L92-R290 HydrophobicContact CD1-CG 4.38Å; S94-R290 PolarHBondContact OG-NH1 2.91Å; S94-R290 VanDerWaalsContact OG-NH1 3.16Å; L280-R290 HydrophobicContact CD1-CG 4.35Å; E286-R290 WeakPolarHBondContact O-CB 3.23Å; E286-R290 VanDerWaalsContact O-CG 3.32Å; E286-R290 WeakPolarHBondContact O-CG 3.44Å; E286-R290 PolarHBondContact O-N 3.24Å; E286-R290 IonicContact OE1-CZ 3.18Å; E286-R290 IonicContact OE1-NE 2.89Å; E286-R290 PolarHBondContact OE1-NE 3.43Å; E286-R290 IonicContact OE1-NH1 3.45Å; E286-R290 PolarHBondContact OE1-NH1 3.32Å; E286-R290 IonicContact OE1-NH2 3.39Å; E286-R290 PolarHBondContact OE1-NH2 3.08Å; R290-V293 WeakPolarHBondContact O-CG1 3.29Å; R290-V294 WeakPolarHBondContact O-CG2 3.48Å
291M96.5Very high97.4Very high89 Ų8962.5 Ų62.544%0.43830%0.302SS..Hα-helixtrans-73.4-39.8176.5-172.1171.159.900111.8M259 T261 K287 K288 A289M259-M291 HydrophobicContact CE-CG 4.22Å; M259-M291 HydrophobicContact CE-SD 4.23Å; T261-M291 HydrophobicContact CG2-CE 3.43Å; T261-M291 VanDerWaalsContact CG2-CE 3.43Å; T261-M291 WeakPolarHBondContact OG1-CE 3.39Å; K287-M291 PolarHBondContact O-N 2.94Å; K288-M291 PolarHBondContact O-N 3.45Å; A289-M291 VanDerWaalsContact C-N 3.31Å; A289-M291 PolarHBondContact O-N 2.93Å
292G97.4Very high97.5Very high0 Ų061.1 Ų61.10%030%0.298CS..Hα-helixtrans-70.2-36.7-179.200000113.6K288 A289 V294 C296K288-G292 PolarHBondContact O-N 3.3Å; A289-G292 PolarHBondContact O-N 3.1Å; G292-V294 VanDerWaalsContact C-N 3.3Å; G292-V294 PolarHBondContact O-N 3.35Å; G292-C296 PolarHBondContact O-SG 3.38Å
293V98.3Very high97.5Very high7 Ų763.7 Ų63.74%0.04230%0.303CS..Hα-helixtrans-65.9-31.4-177.774.10000112.9Y247 F265 L280 A289 R290 E295 C296 A297 L302Y247-V293 HydrophobicContact CD1-CG2 3.82Å; Y247-V293 HydrophobicContact CD2-CG2 3.85Å; Y247-V293 HydrophobicContact CE1-CG2 3.66Å; Y247-V293 HydrophobicContact CE2-CG2 3.73Å; Y247-V293 HydrophobicContact CG-CG2 3.92Å; F265-V293 HydrophobicContact CE1-CB 3.87Å; F265-V293 HydrophobicContact CE1-CG2 4.2Å; F265-V293 HydrophobicContact CZ-CB 3.9Å; F265-V293 HydrophobicContact CZ-CG2 4.2Å; L280-V293 HydrophobicContact CD1-CG1 4.1Å; L280-V293 HydrophobicContact CD2-CB 4.16Å; L280-V293 HydrophobicContact CD2-CG1 4.46Å; L280-V293 HydrophobicContact CD2-CG2 4.19Å; A289-V293 WeakPolarHBondContact O-CB 3.29Å; A289-V293 PolarHBondContact O-N 3.49Å; R290-V293 WeakPolarHBondContact O-CG1 3.29Å; V293-E295 PolarHBondContact O-N 3.48Å; V293-C296 PolarHBondContact O-N 2.7Å; V293-A297 WeakPolarHBondContact O-CB 3.48Å; V293-A297 PolarHBondContact O-N 3.26Å; V293-L302 HydrophobicContact CG2-CD1 3.9Å
294V98Very high97.5Very high98 Ų9865.6 Ų65.659%0.59432%0.318SS*.Hα-helixtrans-59.8-48.9-176.8172.40000111.7R290 G292 K298R290-V294 WeakPolarHBondContact O-CG2 3.48Å; G292-V294 VanDerWaalsContact C-N 3.3Å; G292-V294 PolarHBondContact O-N 3.35Å; V294-K298 WeakPolarHBondContact O-CB 3.37Å; V294-K298 PolarHBondContact O-N 3.11Å
295E98.4Very high97.8Very high20 Ų2057.6 Ų57.69%0.09328%0.28CS..Hα-helixtrans-68.4-39.6178.8-169-177-173.900111.2L257 K258 M259 S262 V293 K298 H299L257-E295 HydrophobicContact CD2-CB 4.19Å; L257-E295 HydrophobicContact CD2-CG 3.63Å; K258-E295 WeakPolarHBondContact CB-OE1 3.33Å; K258-E295 PolarHBondContact N-OE1 3.02Å; M259-E295 VanDerWaalsContact CB-OE2 3.31Å; M259-E295 WeakPolarHBondContact CB-OE2 3.4Å; M259-E295 WeakPolarHBondContact CG-OE2 3.46Å; M259-E295 PolarHBondContact N-OE2 3.38Å; S262-E295 WeakPolarHBondContact CB-OE2 3.43Å; S262-E295 WeakPolarHBondContact OG-CB 3.22Å; S262-E295 PolarHBondContact OG-OE2 2.92Å; V293-E295 PolarHBondContact O-N 3.48Å; E295-K298 PolarHBondContact O-N 3.45Å; E295-H299 PolarHBondContact O-CD2 3.42Å; E295-H299 VanDerWaalsContact O-CD2 3.31Å; E295-H299 PolarHBondContact O-N 3.37Å; E295-H299 VanDerWaalsContact O-N 3.14Å
296C98.6Very high97.9Very high0 Ų057.7 Ų57.70%028%0.28CS..Hα-helixtrans-65.1-46.3-179-59.60000112G292 V293 H299 E300 L301 L302G292-C296 PolarHBondContact O-SG 3.38Å; V293-C296 PolarHBondContact O-N 2.7Å; C296-H299 CarbonylContact O-C 3.54Å; C296-H299 PolarHBondContact O-N 3.49Å; C296-E300 PolarHBondContact O-N 3.42Å; C296-L301 HydrophobicContact CB-CB 4.39Å; C296-L301 WeakPolarHBondContact O-CB 2.9Å; C296-L301 PolarHBondContact O-N 2.84Å; C296-L302 HydrophobicContact CB-CB 4.49Å; C296-L302 HydrophobicContact CB-CD1 3.68Å; C296-L302 HydrophobicContact CB-CG 3.85Å
297A98.2Very high98Very high32 Ų3256.3 Ų56.326%0.26427%0.274SS..Hα-helixtrans-67.1-40.117700000111.8Y247 V293 H299 E300Y247-A297 HydrophobicContact CE1-CB 4.16Å; V293-A297 WeakPolarHBondContact O-CB 3.48Å; V293-A297 PolarHBondContact O-N 3.26Å; A297-H299 PolarHBondContact O-N 2.88Å; A297-E300 PolarHBondContact O-N 3.23Å
298K98.3Very high98.2Very high163 Ų16350.2 Ų50.271%0.70925%0.248SC*.Hα-helixtrans-59.3-33.9177-179179.2-179.5-178.60113.1V294 E295V294-K298 WeakPolarHBondContact O-CB 3.37Å; V294-K298 PolarHBondContact O-N 3.11Å; E295-K298 PolarHBondContact O-N 3.45Å
299H98.3Very high98.3Very high60 Ų6046.4 Ų46.428%0.27823%0.231SC..THydrogen-bonded Turntrans-99.521.6178.5-70-68.9000112.9Y255 E295 C296 A297 L301Y255-H299 HydrophobicContact CD1-CB 3.79Å; Y255-H299 AromaticContact CD1-CD2 3.83Å; Y255-H299 AromaticContact CD1-CG 3.62Å; Y255-H299 HydrophobicContact CE1-CB 4.24Å; Y255-H299 AromaticContact CE1-CD2 3.39Å; Y255-H299 WeakPolarHBondContact CE1-CD2 3.28Å; Y255-H299 AromaticContact CE1-CE1 3.75Å; Y255-H299 AromaticContact CE1-CG 3.55Å; Y255-H299 AromaticContact CE1-ND1 3.77Å; Y255-H299 AromaticContact CE1-NE2 3.53Å; Y255-H299 AromaticContact CE2-CE1 3.85Å; Y255-H299 AromaticContact CE2-ND1 3.71Å; Y255-H299 HydrophobicContact CG-CB 3.94Å; Y255-H299 AromaticContact CG-CG 4Å; Y255-H299 AromaticContact CZ-CD2 3.87Å; Y255-H299 AromaticContact CZ-CE1 3.37Å; Y255-H299 AromaticContact CZ-CG 3.87Å; Y255-H299 AromaticContact CZ-ND1 3.57Å; Y255-H299 AromaticContact CZ-NE2 3.56Å; Y255-H299 PolarHBondContact OH-CE1 3.09Å; Y255-H299 VanDerWaalsContact OH-CE1 3.3Å; Y255-H299 PolarHBondContact OH-NE2 2.89Å; E295-H299 PolarHBondContact O-CD2 3.42Å; E295-H299 VanDerWaalsContact O-CD2 3.31Å; E295-H299 PolarHBondContact O-N 3.37Å; E295-H299 VanDerWaalsContact O-N 3.14Å; C296-H299 CarbonylContact O-C 3.54Å; C296-H299 PolarHBondContact O-N 3.49Å; A297-H299 PolarHBondContact O-N 2.88Å; H299-L301 PolarHBondContact O-N 2.71Å
300E98.3Very high98.3Very high114 Ų11447 Ų4753%0.53323%0.234SC..THydrogen-bonded Turntrans59.813.4174-53.5-179.4166.300114.8K253 C296 A297 L302K253-E300 HydrophobicContact CD-CB 4.45Å; K253-E300 HydrophobicContact CG-CB 4.39Å; K253-E300 IonicContact NZ-OE2 3.17Å; K253-E300 PolarHBondContact NZ-OE2 2.94Å; C296-E300 PolarHBondContact O-N 3.42Å; A297-E300 PolarHBondContact O-N 3.23Å; E300-L302 PolarHBondContact O-N 3.26Å
301L98.5Very high98.3Very high2 Ų251 Ų511%0.0125%0.253CS..SBendtrans-71.2-24.5175.7-60.1-179.1000111.8R249 D250 K253 L257 F266 C296 H299R249-L301 WeakPolarHBondContact CA-O 3.25Å; D250-L301 PolarHBondContact N-O 2.75Å; K253-L301 HydrophobicContact CB-CD2 4.12Å; K253-L301 WeakPolarHBondContact O-CD2 3.23Å; L257-L301 HydrophobicContact CD1-CD1 4Å; L257-L301 HydrophobicContact CD2-CD1 3.84Å; L257-L301 HydrophobicContact CG-CD1 3.84Å; F266-L301 HydrophobicContact CD2-CB 4.33Å; F266-L301 HydrophobicContact CD2-CD1 4.35Å; F266-L301 HydrophobicContact CE2-CB 3.77Å; F266-L301 HydrophobicContact CE2-CD1 4.22Å; F266-L301 HydrophobicContact CZ-CB 4.41Å; F266-L301 HydrophobicContact CZ-CD1 4.49Å; C296-L301 HydrophobicContact CB-CB 4.39Å; C296-L301 WeakPolarHBondContact O-CB 2.9Å; C296-L301 PolarHBondContact O-N 2.84Å; H299-L301 PolarHBondContact O-N 2.71Å
302L98.8Very high98.4Very high1 Ų155.1 Ų55.11%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-126.7123.6176.4-64.7-179000110.1Y247 K248 R249 F265 V269 F278 V293 C296 E300Y247-L302 HydrophobicContact CD1-CB 4.16Å; K248-L302 CarbonylContact O-C 3.59Å; K248-L302 VanDerWaalsContact O-CA 3.24Å; K248-L302 WeakPolarHBondContact O-CA 3.24Å; R249-L302 HydrophobicContact CB-CD2 3.97Å; F265-L302 HydrophobicContact CE1-CD1 3.63Å; F265-L302 HydrophobicContact CZ-CD1 4.22Å; V269-L302 HydrophobicContact CG1-CD2 4.31Å; F278-L302 HydrophobicContact CE1-CD2 4.1Å; F278-L302 HydrophobicContact CZ-CD1 4.1Å; F278-L302 HydrophobicContact CZ-CD2 4.15Å; V293-L302 HydrophobicContact CG2-CD1 3.9Å; C296-L302 HydrophobicContact CB-CB 4.49Å; C296-L302 HydrophobicContact CB-CD1 3.68Å; C296-L302 HydrophobicContact CB-CG 3.85Å; E300-L302 PolarHBondContact O-N 3.26Å
303Q98.6Very high98.3Very high88 Ų8857.7 Ų57.741%0.41130%0.298SS..EExtended strand (participates in β ladder)trans-82.2125170.7-174.1179.7-1.800110Y247 K248Y247-Q303 CarbonylContact C-O 3.54Å; Y247-Q303 WeakPolarHBondContact CA-O 3.32Å; K248-Q303 PolarHBondContact N-O 3.41Å; K248-Q303 PolarHBondContact O-N 2.75Å
304P98.6Very high98.4Very high56 Ų5659.8 Ų59.836%0.36431%0.307SS..EExtended strand (participates in β ladder)trans-81.2143.617831.7-33.8000112.4T244 Y247T244-P304 HydrophobicContact CG2-CB 3.85Å; Y247-P304 HydrophobicContact CD1-CB 4.06Å; Y247-P304 HydrophobicContact CE1-CB 3.8Å
305F98.8Very high98.4Very high37 Ų3757 Ų5716%0.16229%0.287CS..EExtended strand (participates in β ladder)trans-104.784.6168.5-75.9-102.4000108.5F76 H88 T244 I246 K248 P277F76-F305 AromaticContact CE2-CD1 3.67Å; F76-F305 HydrophobicContact CE2-CD1 3.67Å; F76-F305 AromaticContact CE2-CE1 3.76Å; F76-F305 HydrophobicContact CE2-CE1 3.76Å; F76-F305 HydrophobicContact CE2-CG 4.29Å; F76-F305 HydrophobicContact CE2-CZ 4.45Å; F76-F305 HydrophobicContact CZ-CD1 4.09Å; H88-F305 AromaticContact CE1-CD1 3.6Å; H88-F305 AromaticContact NE2-CD1 3.98Å; T244-F305 WeakPolarHBondContact CG2-O 3.39Å; I246-F305 HydrophobicContact CB-CB 3.85Å; I246-F305 HydrophobicContact CG2-CB 3.77Å; I246-F305 HydrophobicContact CG2-CD2 4.05Å; I246-F305 HydrophobicContact CG2-CG 3.98Å; I246-F305 PolarHBondContact O-N 2.98Å; K248-F305 HydrophobicContact CB-CD2 4.45Å; K248-F305 HydrophobicContact CB-CE2 3.59Å; K248-F305 HydrophobicContact CB-CZ 4.4Å; P277-F305 HydrophobicContact CB-CE2 4.48Å; P277-F305 HydrophobicContact CG-CE2 4.24Å; P277-F305 HydrophobicContact CG-CZ 4.12Å
306N98.6Very high98.4Very high63 Ų6356.1 Ų56.134%0.33728%0.283SS..  trans-63.6148.2-173.9-61.9-28.9000112.3H88 T244 L308H88-N306 PolarHBondContact ND1-O 3.23Å; T244-N306 WeakPolarHBondContact OG1-CA 3.33Å; T244-N306 PolarHBondContact OG1-OD1 3.19Å; N306-L308 HydrophobicContact CB-CD2 4.25Å
307V98.8Very high98.4Very high2 Ų256.1 Ų56.11%0.01228%0.283CS..  trans-84.7115.6171.4-172.80000108.2F89 Q242 Y309F89-V307 HydrophobicContact CB-CG1 4.24Å; F89-V307 HydrophobicContact CD2-CG1 4.2Å; Q242-V307 HydrophobicContact CB-CB 4.11Å; Q242-V307 HydrophobicContact CB-CG1 4.34Å; Q242-V307 HydrophobicContact CG-CB 3.95Å; Q242-V307 HydrophobicContact CG-CG1 4.03Å; Q242-V307 HydrophobicContact CG-CG2 4.09Å; V307-Y309 HydrophobicContact CB-CE2 4.32Å; V307-Y309 HydrophobicContact CG1-CD2 4.4Å; V307-Y309 HydrophobicContact CG1-CE2 3.54Å
308L98.7Very high98.5Very high31 Ų3154.7 Ų54.716%0.16227%0.271CS..EExtended strand (participates in β ladder)trans-105.5154.9-179.1-54.4177.3000111.2V86 M185 A237 D239 N306V86-L308 HydrophobicContact CB-CB 4.06Å; V86-L308 WeakPolarHBondContact CB-O 3.31Å; V86-L308 HydrophobicContact CG2-CB 4.31Å; V86-L308 PolarHBondContact N-O 3.48Å; M185-L308 HydrophobicContact CE-CD1 4.07Å; A237-L308 HydrophobicContact CB-CB 4.01Å; A237-L308 HydrophobicContact CB-CD1 4.12Å; D239-L308 HydrophobicContact CB-CD2 4.35Å; N306-L308 HydrophobicContact CB-CD2 4.25Å
309Y98.8Very high98.5Very high44 Ų4447.5 Ų47.517%0.17324%0.24CC..EExtended strand (participates in β ladder)trans-133.2145179.8-67.3-96.1000111.1N84 C85 A237 K238 A240 Q242 V307N84-Y309 WeakPolarHBondContact O-CA 3.37Å; C85-Y309 HydrophobicContact CB-CD1 3.88Å; C85-Y309 HydrophobicContact CB-CE1 3.57Å; A237-Y309 WeakPolarHBondContact CA-O 3.46Å; K238-Y309 PolarHBondContact N-O 3.2Å; K238-Y309 PolarHBondContact O-N 3.39Å; A240-Y309 HydrophobicContact CB-CD2 3.63Å; A240-Y309 HydrophobicContact CB-CE2 4.24Å; A240-Y309 HydrophobicContact CB-CG 4.1Å; Q242-Y309 HydrophobicContact CB-CE2 3.74Å; Q242-Y309 HydrophobicContact CG-CE2 4.31Å; V307-Y309 HydrophobicContact CB-CE2 4.32Å; V307-Y309 HydrophobicContact CG1-CD2 4.4Å; V307-Y309 HydrophobicContact CG1-CE2 3.54Å
310E98.4Very high98.5Very high15 Ų1545.5 Ų45.57%0.0723%0.23CC..PPolyproline II helixtrans-86.5172.8159-101.8-75.6-168.200111.1N84 I182 S231 G235 K236 E314 V316N84-E310 HydrophobicContact CB-CB 4.23Å; N84-E310 PolarHBondContact ND2-O 3.43Å; N84-E310 PolarHBondContact O-N 3.35Å; I182-E310 HydrophobicContact CD1-CG 4.18Å; S231-E310 WeakPolarHBondContact CB-OE1 3.31Å; S231-E310 WeakPolarHBondContact OG-CG 3.47Å; S231-E310 PolarHBondContact OG-OE1 2.7Å; G235-E310 VanDerWaalsContact CA-OE1 3.27Å; G235-E310 WeakPolarHBondContact CA-OE1 3.35Å; G235-E310 PolarHBondContact N-OE1 3.28Å; K236-E310 PolarHBondContact N-OE1 2.92Å; E310-E314 HydrophobicContact CB-CB 4.29Å; E310-V316 HydrophobicContact CB-CG2 3.87Å; E310-V316 HydrophobicContact CG-CG2 3.78Å
311K98.1Very high98.6Very high149 Ų14940.4 Ų40.465%0.64821%0.206SC*.PPolyproline II helixtrans-54.5142.5175.8-172.9-178.9176.3-175.10111N84 G313 E314N84-K311 WeakPolarHBondContact CB-O 3.38Å; K311-G313 PolarHBondContact O-N 2.91Å; K311-E314 HydrophobicContact CB-CG 4.04Å; K311-E314 WeakPolarHBondContact O-CB 3.26Å; K311-E314 PolarHBondContact O-N 2.78Å; K311-E314 VanDerWaalsContact O-N 3.09Å
312E97.2Very high98.6Very high175 Ų17540.3 Ų40.382%0.81821%0.205SC*.THydrogen-bonded Turntrans-56.3135.6174.5-171.8177.3-177.500111E314E312-E314 VanDerWaalsContact C-N 3.33Å
313G97.3Very high98.6Very high55 Ų5540.3 Ų40.357%0.56721%0.205SC*.THydrogen-bonded Turntrans91.3-16.5-174.900000114.6K311K311-G313 PolarHBondContact O-N 2.91Å
314E98.7Very high98.6Very high51 Ų5136.1 Ų36.124%0.23819%0.186CC..  trans-80.6164.5173.4-61.3-59.115400112.3N84 S232 G233 E310 K311 E312N84-E314 WeakPolarHBondContact CA-O 3.47Å; N84-E314 WeakPolarHBondContact CB-O 3.37Å; N84-E314 PolarHBondContact N-O 2.66Å; S232-E314 WeakPolarHBondContact CB-OE2 3.3Å; S232-E314 PolarHBondContact OG-OE2 2.79Å; G233-E314 WeakPolarHBondContact CA-OE2 3.48Å; G233-E314 PolarHBondContact N-OE2 3.33Å; E310-E314 HydrophobicContact CB-CB 4.29Å; K311-E314 HydrophobicContact CB-CG 4.04Å; K311-E314 WeakPolarHBondContact O-CB 3.26Å; K311-E314 PolarHBondContact O-N 2.78Å; K311-E314 VanDerWaalsContact O-N 3.09Å; E312-E314 VanDerWaalsContact C-N 3.33Å
315F98.9Very high98.6Very high40 Ų4033.4 Ų33.418%0.17517%0.169CC..  trans-125.3135.2179.6-61.1-67.2000109.8N83 L105 R138 K139 V142 S232N83-F315 HydrophobicContact CB-CD1 4.19Å; N83-F315 HydrophobicContact CB-CE1 4.28Å; L105-F315 HydrophobicContact CB-CD1 4.28Å; L105-F315 HydrophobicContact CD1-CB 4.14Å; R138-F315 HydrophobicContact CB-CD2 4.2Å; R138-F315 HydrophobicContact CB-CE2 4.49Å; K139-F315 HydrophobicContact CD-CD1 4.42Å; K139-F315 HydrophobicContact CD-CE1 4.17Å; K139-F315 HydrophobicContact CD-CZ 4.27Å; K139-F315 HydrophobicContact CG-CD1 3.89Å; K139-F315 HydrophobicContact CG-CD2 3.83Å; K139-F315 HydrophobicContact CG-CE1 4.01Å; K139-F315 HydrophobicContact CG-CE2 3.92Å; K139-F315 HydrophobicContact CG-CG 3.83Å; K139-F315 HydrophobicContact CG-CZ 4.02Å; V142-F315 HydrophobicContact CG1-CB 3.92Å; S232-F315 PolarHBondContact N-O 3.3Å; S232-F315 PolarHBondContact OG-N 2.96Å; S232-F315 PolarHBondContact OG-O 3.16Å
316V98.9Very high98.5Very high0 Ų033.2 Ų33.20%017%0.169CC..EExtended strand (participates in β ladder)trans-118.3122.4174.6-178.20000108.9N83 V86 L105 K107 I182 L229 V230 E310N83-V316 PolarHBondContact O-N 2.94Å; N83-V316 VanDerWaalsContact O-N 3.09Å; V86-V316 HydrophobicContact CG1-CG1 4.4Å; V86-V316 HydrophobicContact CG2-CG2 4.11Å; L105-V316 WeakPolarHBondContact CD2-O 3.28Å; K107-V316 VanDerWaalsContact CD-O 3.24Å; K107-V316 WeakPolarHBondContact CD-O 3.45Å; K107-V316 WeakPolarHBondContact CE-O 3.31Å; K107-V316 PolarHBondContact NZ-O 2.83Å; I182-V316 HydrophobicContact CD1-CG1 4.4Å; I182-V316 HydrophobicContact CD1-CG2 4.43Å; I182-V316 HydrophobicContact CG1-CG1 4.39Å; L229-V316 HydrophobicContact CD2-CG1 4.26Å; V230-V316 CarbonylContact O-C 3.57Å; V230-V316 VanDerWaalsContact O-CA 3.31Å; V230-V316 WeakPolarHBondContact O-CA 3.17Å; E310-V316 HydrophobicContact CB-CG2 3.87Å; E310-V316 HydrophobicContact CG-CG2 3.78Å
317A98.9Very high98.3Very high0 Ų034 Ų340%018%0.177CC..EExtended strand (participates in β ladder)trans-102.9139.4174.400000110.9T124 V142 I143 A146 L229 V230T124-A317 HydrophobicContact CG2-CB 4.03Å; V142-A317 HydrophobicContact CG1-CB 4.19Å; V142-A317 HydrophobicContact CG2-CB 4.17Å; I143-A317 HydrophobicContact CG1-CB 3.98Å; A146-A317 HydrophobicContact CB-CB 3.72Å; L229-A317 WeakPolarHBondContact CA-O 3.36Å; V230-A317 PolarHBondContact N-O 2.67Å; V230-A317 PolarHBondContact O-N 2.96Å
318Q98.9Very high97.9Very high2 Ų238.2 Ų38.21%0.00920%0.199CC..EExtended strand (participates in β ladder)trans-125.2135.4179.4-169.2-17715.900112.7K107 D109 A122 T124 D227 V228 L229K107-Q318 HydrophobicContact CB-CB 4.39Å; K107-Q318 HydrophobicContact CD-CB 3.59Å; K107-Q318 HydrophobicContact CG-CB 3.86Å; D109-Q318 PolarHBondContact OD2-NE2 2.86Å; A122-Q318 HydrophobicContact CB-CG 3.99Å; T124-Q318 PolarHBondContact N-O 3.03Å; T124-Q318 WeakPolarHBondContact OG1-CA 3.35Å; T124-Q318 PolarHBondContact OG1-N 3.05Å; T124-Q318 PolarHBondContact OG1-O 3.41Å; D227-Q318 WeakPolarHBondContact OD1-CG 3.42Å; D227-Q318 PolarHBondContact OD1-NE2 2.78Å; D227-Q318 PolarHBondContact OD2-NE2 2.9Å; V228-Q318 CarbonylContact O-C 3.54Å; V228-Q318 WeakPolarHBondContact O-CA 3.32Å; L229-Q318 HydrophobicContact CD2-CB 3.73Å; L229-Q318 HydrophobicContact CD2-CG 3.6Å; L229-Q318 HydrophobicContact CG-CB 4.49Å; L229-Q318 HydrophobicContact CG-CG 4.01Å
319F98.9Very high97.5Very high13 Ų1337.2 Ų37.26%0.05720%0.196CC..EExtended strand (participates in β ladder)trans-133.8118.3163.7-68.4-85.4000109.1H123 I143 A146 H147 A150 V228 F338H123-F319 AromaticContact ND1-CE1 3.6Å; I143-F319 HydrophobicContact CG2-CE2 4.42Å; I143-F319 HydrophobicContact CG2-CZ 4.23Å; A146-F319 HydrophobicContact CB-CD2 3.69Å; A146-F319 HydrophobicContact CB-CE2 3.9Å; H147-F319 HydrophobicContact CB-CD2 4.32Å; H147-F319 HydrophobicContact CB-CE2 3.79Å; H147-F319 HydrophobicContact CB-CZ 4.03Å; A150-F319 HydrophobicContact CB-CB 3.91Å; V228-F319 PolarHBondContact N-O 3.47Å; V228-F319 PolarHBondContact O-N 2.94Å; F319-F338 HydrophobicContact CE1-CB 4.33Å; F319-F338 AromaticContact CE1-CD2 3.7Å; F319-F338 HydrophobicContact CE1-CD2 3.7Å; F319-F338 HydrophobicContact CE1-CE2 4.25Å; F319-F338 HydrophobicContact CE1-CG 4.1Å; F319-F338 AromaticContact CZ-CD2 3.59Å; F319-F338 HydrophobicContact CZ-CD2 3.59Å; F319-F338 AromaticContact CZ-CE2 3.66Å; F319-F338 HydrophobicContact CZ-CE2 3.66Å; F319-F338 HydrophobicContact CZ-CG 4.3Å; F319-F338 HydrophobicContact CZ-CZ 4.41Å
320K98.9Very high97.3Very high18 Ų1836.3 Ų36.38%0.07820%0.196CC..EExtended strand (participates in β ladder)trans-119.3135.1175.1-178-173.3-65.2173.70110.2D109 N120 V121 A122 V226 D227D109-K320 IonicContact OD1-NZ 3.98Å; D109-K320 PolarHBondContact OD1-NZ 2.97Å; D109-K320 IonicContact OD2-NZ 2.73Å; D109-K320 PolarHBondContact OD2-NZ 3.41Å; N120-K320 HydrophobicContact CB-CD 3.74Å; N120-K320 HydrophobicContact CB-CG 4.36Å; V121-K320 WeakPolarHBondContact CA-O 3.36Å; A122-K320 HydrophobicContact CB-CB 3.46Å; A122-K320 VanDerWaalsContact CB-CB 3.46Å; A122-K320 PolarHBondContact N-O 2.77Å; A122-K320 PolarHBondContact O-N 3.05Å; V226-K320 CarbonylContact O-C 3.5Å; V226-K320 WeakPolarHBondContact O-CA 3.35Å; V226-K320 WeakPolarHBondContact O-CG 3.28Å; D227-K320 HydrophobicContact CB-CB 4.35Å; D227-K320 HydrophobicContact CB-CD 4.39Å; D227-K320 HydrophobicContact CB-CG 4.07Å; D227-K320 VanDerWaalsContact OD1-CE 3.3Å; D227-K320 WeakPolarHBondContact OD1-CE 3.37Å; D227-K320 WeakPolarHBondContact OD2-CE 3.5Å; D227-K320 IonicContact OD2-NZ 2.73Å; D227-K320 PolarHBondContact OD2-NZ 3.44Å; D227-K320 VanDerWaalsContact OD2-NZ 3.17Å
321F98.9Very high97.3Very high6 Ų638 Ų383%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-145150.9175.762.1-90.1000111.6A150 A153 L154 V226 V323 R332 T334A150-F321 HydrophobicContact CB-CD1 4.42Å; A150-F321 HydrophobicContact CB-CE1 3.89Å; A153-F321 HydrophobicContact CB-CZ 4.34Å; L154-F321 HydrophobicContact CB-CE2 4.48Å; L154-F321 HydrophobicContact CB-CZ 4.14Å; L154-F321 HydrophobicContact CD1-CE2 4.13Å; V226-F321 HydrophobicContact CB-CD1 4.4Å; V226-F321 HydrophobicContact CB-CD2 4.34Å; V226-F321 HydrophobicContact CB-CE1 3.96Å; V226-F321 HydrophobicContact CB-CE2 3.91Å; V226-F321 HydrophobicContact CB-CZ 3.71Å; V226-F321 HydrophobicContact CG1-CE1 3.85Å; V226-F321 HydrophobicContact CG1-CE2 4.46Å; V226-F321 HydrophobicContact CG1-CZ 3.77Å; V226-F321 HydrophobicContact CG2-CE2 3.96Å; V226-F321 HydrophobicContact CG2-CZ 4.04Å; V226-F321 PolarHBondContact N-O 2.94Å; V226-F321 PolarHBondContact O-N 2.99Å; F321-V323 HydrophobicContact CD2-CB 4.22Å; F321-V323 HydrophobicContact CE2-CB 4.11Å; F321-V323 HydrophobicContact CE2-CG1 4.28Å; F321-R332 HydrophobicContact CB-CG 4.09Å; F321-R332 HydrophobicContact CD2-CG 3.83Å; F321-R332 HydrophobicContact CG-CG 4.2Å; F321-T334 WeakPolarHBondContact CA-OG1 3.47Å; F321-T334 VanDerWaalsContact CB-O 3.3Å; F321-T334 WeakPolarHBondContact CB-O 3.35Å
322T98.9Very high97.3Very high0 Ų035.5 Ų35.50%019%0.191CC..EExtended strand (participates in β ladder)trans-96.1130.9174.3-53.90000109.6N120 L190 V223 Y224 L324 I333 T334N120-T322 PolarHBondContact N-OG1 3.41Å; N120-T322 PolarHBondContact O-OG1 3.42Å; L190-T322 HydrophobicContact CD1-CG2 3.8Å; V223-T322 HydrophobicContact CG1-CG2 3.76Å; Y224-T322 CarbonylContact O-C 3.58Å; Y224-T322 WeakPolarHBondContact O-CA 3.32Å; T322-L324 HydrophobicContact CG2-CD1 4.43Å; T322-I333 HydrophobicContact CG2-CD1 3.83Å; T322-I333 HydrophobicContact CG2-CG1 4Å; T322-I333 WeakPolarHBondContact O-CG1 3.43Å; T322-I333 PolarHBondContact O-N 3.08Å; T322-T334 PolarHBondContact N-OG1 3.38Å
323V98.8Very high97.3Very high1 Ų128 Ų281%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-128133-178.764.40000111.1V157 V223 Y224 V226 F321 L325 P330V157-V323 HydrophobicContact CG1-CG1 4.35Å; V223-V323 WeakPolarHBondContact CA-O 3.45Å; Y224-V323 PolarHBondContact N-O 3.03Å; Y224-V323 PolarHBondContact O-N 3.33Å; V226-V323 HydrophobicContact CG2-CG1 4.04Å; F321-V323 HydrophobicContact CD2-CB 4.22Å; F321-V323 HydrophobicContact CE2-CB 4.11Å; F321-V323 HydrophobicContact CE2-CG1 4.28Å; V323-L325 HydrophobicContact CG2-CD2 4.38Å; V323-P330 HydrophobicContact CG2-CB 3.6Å
324L98.7Very high97.4Very high0 Ų025.4 Ų25.40%013%0.129CC..EExtended strand (participates in β ladder)trans-99.5125.5176.3-82.665.4000109.4I12 V18 Y21 V223 T322 M326 P330 M331 I333I12-L324 HydrophobicContact CB-CD2 4.36Å; I12-L324 HydrophobicContact CD1-CB 3.77Å; I12-L324 HydrophobicContact CD1-CD2 4.38Å; I12-L324 HydrophobicContact CD1-CG 4Å; I12-L324 HydrophobicContact CG2-CD2 3.78Å; I12-L324 HydrophobicContact CG2-CG 4.05Å; V18-L324 HydrophobicContact CG1-CD2 4.18Å; V18-L324 HydrophobicContact CG2-CD2 4.39Å; Y21-L324 HydrophobicContact CD1-CD1 4.4Å; Y21-L324 HydrophobicContact CD2-CD2 4.39Å; Y21-L324 HydrophobicContact CG-CD1 4.32Å; Y21-L324 HydrophobicContact CG-CD2 4.39Å; V223-L324 HydrophobicContact CG1-CD1 4.01Å; V223-L324 HydrophobicContact CG1-CG 4.46Å; V223-L324 HydrophobicContact CG2-CD1 4.46Å; V223-L324 HydrophobicContact CG2-CG 4.05Å; T322-L324 HydrophobicContact CG2-CD1 4.43Å; L324-M326 HydrophobicContact CB-CG 4.39Å; L324-M326 HydrophobicContact CB-SD 4.11Å; L324-M326 HydrophobicContact CD2-SD 4.41Å; L324-M326 PolarHBondContact O-N 3.14Å; L324-M326 VanDerWaalsContact O-N 3.09Å; L324-P330 CarbonylContact O-C 3.48Å; L324-P330 WeakPolarHBondContact O-CA 3.41Å; L324-M331 HydrophobicContact CB-CB 4.44Å; L324-M331 HydrophobicContact CB-CE 4.16Å; L324-M331 HydrophobicContact CD2-CE 3.73Å; L324-M331 PolarHBondContact N-O 3.28Å; L324-M331 PolarHBondContact O-N 3.29Å; L324-I333 HydrophobicContact CD1-CD1 3.72Å; L324-I333 HydrophobicContact CD1-CG1 3.89Å; L324-I333 HydrophobicContact CD1-CG2 3.9Å
325L98.3Very high97.3Very high0 Ų024.8 Ų24.80%013%0.13CC..EExtended strand (participates in β ladder)trans-86.475.5179.6-58.6-165.4000111.2V157 P159 F218 E219 H221 E222 Y224 V323 P330V157-L325 HydrophobicContact CG1-CD2 4.33Å; V157-L325 WeakPolarHBondContact O-CD2 3.24Å; P159-L325 HydrophobicContact CG-CB 4.22Å; P159-L325 HydrophobicContact CG-CD1 4.49Å; F218-L325 HydrophobicContact CB-CD1 3.89Å; E219-L325 WeakPolarHBondContact O-CB 3.45Å; E219-L325 WeakPolarHBondContact O-CD1 3.43Å; H221-L325 PolarHBondContact N-O 3.26Å; E222-L325 HydrophobicContact CB-CD1 4.27Å; E222-L325 WeakPolarHBondContact O-CB 3.48Å; E222-L325 PolarHBondContact O-N 3.06Å; Y224-L325 HydrophobicContact CD2-CD1 4.08Å; Y224-L325 HydrophobicContact CD2-CG 4.41Å; Y224-L325 HydrophobicContact CE2-CD1 3.97Å; V323-L325 HydrophobicContact CG2-CD2 4.38Å; L325-P330 HydrophobicContact CD2-CB 4.04Å; L325-P330 HydrophobicContact CD2-CG 4.15Å
326M96.9Very high97.1Very high33 Ų3323.7 Ų23.716%0.16313%0.131CC..EExtended strand (participates in β ladder)trans-71.7156.9178.1-53.5-58.3-62.200111.3I12 V18 L324 N328 G329 M331I12-M326 HydrophobicContact CD1-SD 3.84Å; I12-M326 HydrophobicContact CG1-SD 4.45Å; V18-M326 HydrophobicContact CG2-CE 4.11Å; V18-M326 HydrophobicContact CG2-SD 4.33Å; L324-M326 HydrophobicContact CB-CG 4.39Å; L324-M326 HydrophobicContact CB-SD 4.11Å; L324-M326 HydrophobicContact CD2-SD 4.41Å; L324-M326 PolarHBondContact O-N 3.14Å; L324-M326 VanDerWaalsContact O-N 3.09Å; M326-N328 WeakPolarHBondContact CB-OD1 3.32Å; M326-N328 PolarHBondContact O-N 3.44Å; M326-G329 WeakPolarHBondContact CB-O 3.38Å; M326-G329 PolarHBondContact N-O 3.47Å; M326-G329 PolarHBondContact O-N 3.05Å; M326-M331 HydrophobicContact CG-CB 4.09Å; M326-M331 HydrophobicContact CG-CE 4.22Å; M326-M331 HydrophobicContact SD-CE 4.27Å
327P94.6Very high97Very high78 Ų7826.1 Ų26.151%0.50615%0.147SC..THydrogen-bonded Turntrans-55.7-28.5175.8-25.732.4000114.2V220 G329V220-P327 HydrophobicContact CG1-CB 4.27Å; V220-P327 HydrophobicContact CG1-CG 3.76Å; P327-G329 VanDerWaalsContact C-N 3.34Å
328N90Very high97Very high92 Ų9227.9 Ų27.949%0.49215%0.154SC..THydrogen-bonded Turntrans-86.2-2.1179.166.63.1000113.9M326 R364M326-N328 WeakPolarHBondContact CB-OD1 3.32Å; M326-N328 PolarHBondContact O-N 3.44Å; N328-R364 WeakPolarHBondContact O-CB 3.3Å
329G90Very high96.8Very high9 Ų934.1 Ų34.19%0.09318%0.183CC..EExtended strand (participates in β ladder)trans124.1174.417900000113.2M326 P327M326-G329 WeakPolarHBondContact CB-O 3.38Å; M326-G329 PolarHBondContact N-O 3.47Å; M326-G329 PolarHBondContact O-N 3.05Å; P327-G329 VanDerWaalsContact C-N 3.34Å
330P95.8Very high96.6Very high25 Ų2536.4 Ų36.416%0.16220%0.2CC..EExtended strand (participates in β ladder)trans-62.8135.8-179.1-19.832.6000112V157 K158 V323 L324 L325V157-P330 WeakPolarHBondContact O-CG 3.35Å; K158-P330 HydrophobicContact CB-CG 3.67Å; V323-P330 HydrophobicContact CG2-CB 3.6Å; L324-P330 CarbonylContact O-C 3.48Å; L324-P330 WeakPolarHBondContact O-CA 3.41Å; L325-P330 HydrophobicContact CD2-CB 4.04Å; L325-P330 HydrophobicContact CD2-CG 4.15Å
331M97.1Very high96.4Very high51 Ų5142.2 Ų42.225%0.25123%0.232SC..EExtended strand (participates in β ladder)trans-121.7102.4177-178.2177.967.700109.6V18 L324 M326 I333V18-M331 HydrophobicContact CG1-CE 3.96Å; L324-M331 HydrophobicContact CB-CB 4.44Å; L324-M331 HydrophobicContact CB-CE 4.16Å; L324-M331 HydrophobicContact CD2-CE 3.73Å; L324-M331 PolarHBondContact N-O 3.28Å; L324-M331 PolarHBondContact O-N 3.29Å; M326-M331 HydrophobicContact CG-CB 4.09Å; M326-M331 HydrophobicContact CG-CE 4.22Å; M326-M331 HydrophobicContact SD-CE 4.27Å; M331-I333 HydrophobicContact CE-CG2 4.18Å
332R97.9Very high96.4Very high96 Ų9644 Ų4436%0.36224%0.241SC..EExtended strand (participates in β ladder)trans-70.4127.8173.3-175.8171.675.3-166.52.7109.8E151 L154 F321 T334E151-R332 IonicContact OE1-NH1 2.99Å; E151-R332 PolarHBondContact OE1-NH1 2.83Å; E151-R332 VanDerWaalsContact OE1-NH1 3.09Å; L154-R332 HydrophobicContact CD1-CB 3.91Å; F321-R332 HydrophobicContact CB-CG 4.09Å; F321-R332 HydrophobicContact CD2-CG 3.83Å; F321-R332 HydrophobicContact CG-CG 4.2Å; R332-T334 VanDerWaalsContact CD-O 3.29Å; R332-T334 WeakPolarHBondContact CD-O 3.41Å; R332-T334 WeakPolarHBondContact CG-O 3.49Å
333I98.6Very high96.3Very high18 Ų1844.4 Ų44.49%0.09224%0.243CC..  trans-108.3-18.4179.957.5159.4000113.4Y21 K22 N29 A119 T322 L324 M331Y21-I333 HydrophobicContact CD1-CD1 4.17Å; Y21-I333 WeakPolarHBondContact O-CD1 3.49Å; K22-I333 HydrophobicContact CG-CG2 4.22Å; N29-I333 PolarHBondContact ND2-O 3.33Å; A119-I333 HydrophobicContact CB-CD1 4.16Å; T322-I333 HydrophobicContact CG2-CD1 3.83Å; T322-I333 HydrophobicContact CG2-CG1 4Å; T322-I333 WeakPolarHBondContact O-CG1 3.43Å; T322-I333 PolarHBondContact O-N 3.08Å; L324-I333 HydrophobicContact CD1-CD1 3.72Å; L324-I333 HydrophobicContact CD1-CG1 3.89Å; L324-I333 HydrophobicContact CD1-CG2 3.9Å; M331-I333 HydrophobicContact CE-CG2 4.18Å
334T98.8Very high96.3Very high0 Ų050.2 Ų50.20%027%0.268CS..  trans-123.8145.4174.957.30000112.2A28 N29 A119 N120 V121 F321 T322 R332A28-T334 HydrophobicContact CB-CG2 4.26Å; N29-T334 WeakPolarHBondContact OD1-CA 3.24Å; N29-T334 WeakPolarHBondContact OD1-CB 3.35Å; A119-T334 HydrophobicContact CB-CG2 4.08Å; N120-T334 PolarHBondContact O-OG1 3.36Å; V121-T334 HydrophobicContact CB-CG2 4.27Å; F321-T334 WeakPolarHBondContact CA-OG1 3.47Å; F321-T334 VanDerWaalsContact CB-O 3.3Å; F321-T334 WeakPolarHBondContact CB-O 3.35Å; T322-T334 PolarHBondContact N-OG1 3.38Å; R332-T334 VanDerWaalsContact CD-O 3.29Å; R332-T334 WeakPolarHBondContact CD-O 3.41Å; R332-T334 WeakPolarHBondContact CG-O 3.49Å
335S96.6Very high96.3Very high38 Ų3851.1 Ų51.127%0.26628%0.275SS..  trans-163.8138.9176.458.40000111.2N29N29-S335 PolarHBondContact OD1-N 3.04Å; N29-S335 PolarHBondContact OD1-O 3.35Å
336G95.4Very high96.3Very high18 Ų1860.7 Ų60.719%0.18632%0.319CS..  trans-72.8159.1169.600000113.7F338G336-F338 PolarHBondContact O-N 2.92Å
337P96.9Very high96.3Very high51 Ų5161.2 Ų61.233%0.33132%0.322SS..  trans-76.568.217834.8-37.1000111.5R33 V36R33-P337 HydrophobicContact CG-CB 4.32Å; R33-P337 HydrophobicContact CG-CG 4.16Å; V36-P337 HydrophobicContact CG1-CG 4.4Å; V36-P337 HydrophobicContact CG2-CG 4.38Å
338F97.4Very high96.4Very high36 Ų3662.2 Ų62.216%0.15832%0.32CS..  trans-84.1131.2-177-173.9-107.3000112.8I143 H147 F319 G336 P340 Y343I143-F338 HydrophobicContact CG2-CE2 3.55Å; I143-F338 HydrophobicContact CG2-CZ 4.05Å; H147-F338 HydrophobicContact CB-CE1 3.88Å; H147-F338 HydrophobicContact CB-CE2 4.48Å; H147-F338 HydrophobicContact CB-CZ 3.85Å; H147-F338 AromaticContact CD2-CD1 3.81Å; H147-F338 AromaticContact CD2-CE1 3.3Å; H147-F338 WeakPolarHBondContact CD2-CE1 3.5Å; H147-F338 AromaticContact CE1-CD1 3.34Å; H147-F338 WeakPolarHBondContact CE1-CD1 3.25Å; H147-F338 AromaticContact CE1-CE1 3.69Å; H147-F338 AromaticContact CG-CD1 3.65Å; H147-F338 AromaticContact CG-CE1 3.26Å; H147-F338 AromaticContact CG-CZ 3.77Å; H147-F338 AromaticContact ND1-CD1 3.35Å; H147-F338 WeakPolarHBondContact ND1-CD1 3.36Å; H147-F338 AromaticContact ND1-CE1 3.52Å; H147-F338 AromaticContact ND1-CG 3.94Å; H147-F338 AromaticContact NE2-CD1 3.61Å; H147-F338 AromaticContact NE2-CE1 3.57Å; F319-F338 HydrophobicContact CE1-CB 4.33Å; F319-F338 AromaticContact CE1-CD2 3.7Å; F319-F338 HydrophobicContact CE1-CD2 3.7Å; F319-F338 HydrophobicContact CE1-CE2 4.25Å; F319-F338 HydrophobicContact CE1-CG 4.1Å; F319-F338 AromaticContact CZ-CD2 3.59Å; F319-F338 HydrophobicContact CZ-CD2 3.59Å; F319-F338 AromaticContact CZ-CE2 3.66Å; F319-F338 HydrophobicContact CZ-CE2 3.66Å; F319-F338 HydrophobicContact CZ-CG 4.3Å; F319-F338 HydrophobicContact CZ-CZ 4.41Å; G336-F338 PolarHBondContact O-N 2.92Å; F338-P340 HydrophobicContact CD1-CB 4.4Å; F338-P340 HydrophobicContact CD1-CG 3.75Å; F338-P340 HydrophobicContact CE1-CB 3.81Å; F338-P340 HydrophobicContact CE1-CG 3.64Å; F338-Y343 AromaticContact CD2-CE2 3.99Å; F338-Y343 HydrophobicContact CD2-CE2 3.99Å; F338-Y343 AromaticContact CE2-CD2 3.64Å; F338-Y343 HydrophobicContact CE2-CD2 3.64Å; F338-Y343 AromaticContact CE2-CE2 3.26Å; F338-Y343 HydrophobicContact CE2-CE2 3.26Å; F338-Y343 AromaticContact CZ-CD2 3.68Å; F338-Y343 HydrophobicContact CZ-CD2 3.68Å; F338-Y343 AromaticContact CZ-CE2 3.82Å; F338-Y343 HydrophobicContact CZ-CE2 3.82Å
339E96.2Very high96.7Very high133 Ų13358.1 Ų58.162%0.62130%0.298SS*.  trans-113.797.8175.1-66.3-176.7-177.800109.9D341 L342 Y343E339-D341 PolarHBondContact O-N 2.93Å; E339-L342 HydrophobicContact CB-CB 4.36Å; E339-L342 WeakPolarHBondContact O-CB 3.22Å; E339-L342 PolarHBondContact O-N 3.3Å; E339-Y343 WeakPolarHBondContact O-CD2 3.41Å; E339-Y343 WeakPolarHBondContact O-CE2 3.27Å
340P93.9Very high96.9Very high61 Ų6163.6 Ų63.640%0.39632%0.321SS..G310 helixtrans-60-32.8-174.6-21.929.8000114.3F338 L342 Y343F338-P340 HydrophobicContact CD1-CB 4.4Å; F338-P340 HydrophobicContact CD1-CG 3.75Å; F338-P340 HydrophobicContact CE1-CB 3.81Å; F338-P340 HydrophobicContact CE1-CG 3.64Å; P340-L342 PolarHBondContact O-N 2.96Å; P340-Y343 PolarHBondContact O-N 3Å
341D95.5Very high96.8Very high141 Ų14165 Ų6575%0.75433%0.328SS*.G310 helixtrans-71.1-16.6-176.1-62-30.3000112.8Q134 E339 Y343Q134-D341 PolarHBondContact NE2-O 3.37Å; E339-D341 PolarHBondContact O-N 2.93Å; D341-Y343 PolarHBondContact O-N 3.21Å
342L97.6Very high96.8Very high44 Ų4466.3 Ų66.323%0.2335%0.346CS..G310 helixtrans-68.9-22.6174.5-170.762.6000112.3V129 T133 Q134 V135 E339 P340V129-L342 HydrophobicContact CG1-CD1 3.8Å; V129-L342 HydrophobicContact CG1-CG 4.46Å; T133-L342 WeakPolarHBondContact O-CD1 3.46Å; Q134-L342 CarbonylContact C-O 3.58Å; Q134-L342 WeakPolarHBondContact CA-O 3.43Å; V135-L342 PolarHBondContact N-O 3.44Å; E339-L342 HydrophobicContact CB-CB 4.36Å; E339-L342 WeakPolarHBondContact O-CB 3.22Å; E339-L342 PolarHBondContact O-N 3.3Å; P340-L342 PolarHBondContact O-N 2.96Å
343Y98.4Very high96.6Very high8 Ų869.1 Ų69.13%0.03136%0.363CS..BIsolated β-bridgetrans-109.9114.1-173.2-54.8-81.3000111.1V126 V135 I143 K144 F338 E339 P340 D341V126-Y343 HydrophobicContact CG2-CE1 4.33Å; V135-Y343 HydrophobicContact CB-CD1 3.78Å; V135-Y343 HydrophobicContact CB-CE1 4.1Å; V135-Y343 HydrophobicContact CG1-CD1 4.11Å; V135-Y343 HydrophobicContact CG1-CE1 4.38Å; V135-Y343 HydrophobicContact CG2-CD1 4.24Å; V135-Y343 HydrophobicContact CG2-CE1 4.07Å; I143-Y343 HydrophobicContact CB-CD1 4.24Å; I143-Y343 HydrophobicContact CB-CE1 4.34Å; I143-Y343 HydrophobicContact CD1-CD1 3.97Å; I143-Y343 HydrophobicContact CD1-CE1 3.43Å; I143-Y343 VanDerWaalsContact CD1-CE1 3.43Å; I143-Y343 HydrophobicContact CG1-CE1 4.47Å; I143-Y343 HydrophobicContact CG2-CD1 3.96Å; I143-Y343 HydrophobicContact CG2-CD2 4.13Å; I143-Y343 HydrophobicContact CG2-CE1 3.87Å; I143-Y343 HydrophobicContact CG2-CE2 4.03Å; I143-Y343 HydrophobicContact CG2-CG 4.09Å; K144-Y343 WeakPolarHBondContact CD-O 3.43Å; K144-Y343 PolarHBondContact NZ-O 3.18Å; F338-Y343 AromaticContact CD2-CE2 3.99Å; F338-Y343 HydrophobicContact CD2-CE2 3.99Å; F338-Y343 AromaticContact CE2-CD2 3.64Å; F338-Y343 HydrophobicContact CE2-CD2 3.64Å; F338-Y343 AromaticContact CE2-CE2 3.26Å; F338-Y343 HydrophobicContact CE2-CE2 3.26Å; F338-Y343 AromaticContact CZ-CD2 3.68Å; F338-Y343 HydrophobicContact CZ-CD2 3.68Å; F338-Y343 AromaticContact CZ-CE2 3.82Å; F338-Y343 HydrophobicContact CZ-CE2 3.82Å; E339-Y343 WeakPolarHBondContact O-CD2 3.41Å; E339-Y343 WeakPolarHBondContact O-CE2 3.27Å; P340-Y343 PolarHBondContact O-N 3Å; D341-Y343 PolarHBondContact O-N 3.21Å
344K98.4Very high96.3Very high122 Ų12268.7 Ų68.753%0.5336%0.361SS..  trans-105.9109.1176.6-177.9178.9179.5-178.90110.1Q134 V135 T136 A140Q134-K344 HydrophobicContact CB-CB 4.39Å; V135-K344 PolarHBondContact O-N 3.3Å; T136-K344 HydrophobicContact CG2-CB 4.27Å; A140-K344 WeakPolarHBondContact CB-O 3.32Å
345S98.3Very high96.1Very high20 Ų2071.7 Ų71.714%0.1437%0.374CS..  trans-106.7146.9170.7-179.40000109D141 M347D141-S345 VanDerWaalsContact OD1-CB 3.27Å; D141-S345 WeakPolarHBondContact OD1-CB 3.34Å; D141-S345 PolarHBondContact OD1-OG 2.87Å; S345-M347 PolarHBondContact OG-N 3Å; S345-M347 VanDerWaalsContact OG-N 3.1Å; S345-M347 PolarHBondContact OG-O 3.22Å
346E97.9Very high96Very high200 Ų20072.6 Ų72.694%0.93538%0.384SS*.SBendtrans-79.9-13.8170.9-61.4-176.9173.400111.9
347M97.8Very high96Very high44 Ų4473.5 Ų73.522%0.21738%0.384CS..  trans-100.6154.3179.5-66.7172.3-71.300110.8D141 F177 N178 S345D141-M347 HydrophobicContact CB-CE 3.76Å; D141-M347 WeakPolarHBondContact OD1-CE 3.42Å; D141-M347 WeakPolarHBondContact OD2-CE 3.15Å; F177-M347 HydrophobicContact CB-CE 4.48Å; F177-M347 HydrophobicContact CD1-CB 3.85Å; F177-M347 HydrophobicContact CE1-CB 4.36Å; F177-M347 WeakPolarHBondContact CE1-O 3.47Å; F177-M347 HydrophobicContact CG-CB 4.42Å; F177-M347 VanDerWaalsContact O-CE 3.3Å; F177-M347 WeakPolarHBondContact O-CE 3.34Å; N178-M347 HydrophobicContact CB-SD 4.22Å; N178-M347 PolarHBondContact ND2-SD 3.24Å; S345-M347 PolarHBondContact OG-N 3Å; S345-M347 VanDerWaalsContact OG-N 3.1Å; S345-M347 PolarHBondContact OG-O 3.22Å
348E96.5Very high95.7Very high100 Ų10072.3 Ų72.347%0.46738%0.375SS..  trans-148.2160.3172.364.2169.7-153.700109.2Q350 K355E348-Q350 PolarHBondContact O-N 2.95Å; E348-Q350 PolarHBondContact O-NE2 3.04Å; E348-K355 IonicContact OE1-NZ 2.78Å; E348-K355 PolarHBondContact OE1-NZ 3.3Å
349V96.5Very high95.4Very high6 Ų677.7 Ų77.74%0.03640%0.401CS..  trans-56.1126.4170.5175.10000108.9L148 V173 F177 L354 K355 L358L148-V349 HydrophobicContact CD1-CG2 3.91Å; V173-V349 HydrophobicContact CG1-CG2 4.2Å; V173-V349 HydrophobicContact CG2-CG2 4.48Å; F177-V349 HydrophobicContact CE2-CG2 3.93Å; V349-L354 HydrophobicContact CG1-CB 3.87Å; V349-L354 HydrophobicContact CG1-CD2 3.76Å; V349-L354 HydrophobicContact CG1-CG 3.94Å; V349-K355 HydrophobicContact CG1-CG 4.33Å; V349-K355 WeakPolarHBondContact O-CE 3.36Å; V349-L358 HydrophobicContact CB-CD1 4.4Å; V349-L358 HydrophobicContact CG1-CD1 4.42Å; V349-L358 HydrophobicContact CG2-CD1 3.94Å
350Q92.9Very high95Very high124 Ų12473.2 Ų73.258%0.57938%0.384SS*.  trans-100.8-26.2-179.9-63.6-58.7-28.400113.8E348 A352E348-Q350 PolarHBondContact O-N 2.95Å; E348-Q350 PolarHBondContact O-NE2 3.04Å; Q350-A352 PolarHBondContact O-N 2.97Å
351D94.8Very high94.3Very high55 Ų5571.4 Ų71.429%0.29437%0.373SS..  trans-60.6124-180179.7-71.4000111.2K172 E353 L354 K355K172-D351 IonicContact NZ-OD2 2.66Å; D351-E353 PolarHBondContact OD1-N 3.3Å; D351-E353 VanDerWaalsContact OD1-N 3.09Å; D351-L354 HydrophobicContact CB-CB 3.89Å; D351-L354 PolarHBondContact O-N 3.08Å; D351-L354 WeakPolarHBondContact OD1-CB 3.42Å; D351-L354 PolarHBondContact OD1-N 3.07Å; D351-K355 WeakPolarHBondContact O-CG 3.31Å; D351-K355 PolarHBondContact O-N 3.21Å
352A95.5Very high93.1Very high78 Ų7866.1 Ų66.165%0.64535%0.349SS*.Hα-helixtrans-67.1-38.6-171.900000113.1Q350 L354 A356Q350-A352 PolarHBondContact O-N 2.97Å; A352-L354 VanDerWaalsContact C-N 3.34Å; A352-A356 WeakPolarHBondContact O-CB 3.35Å; A352-A356 PolarHBondContact O-N 3.13Å
353E94.1Very high91.6Very high154 Ų15466.7 Ų66.772%0.7236%0.356SS*.Hα-helixtrans-67.3-40177.7-63.4-176.1169.400110.5D351 A356 L357D351-E353 PolarHBondContact OD1-N 3.3Å; D351-E353 VanDerWaalsContact OD1-N 3.09Å; E353-A356 PolarHBondContact O-N 2.89Å; E353-L357 WeakPolarHBondContact O-CB 3.33Å; E353-L357 PolarHBondContact O-N 2.49Å
354L93.9Very high89.7Confident9 Ų972.9 Ų72.95%0.04738%0.38CS..Hα-helixtrans-70.4-39.5178.6-156.959.8000111.8A169 K172 V173 V349 D351 A352 A356 L357 L358A169-L354 HydrophobicContact CB-CD1 4.21Å; K172-L354 HydrophobicContact CB-CD2 3.69Å; V173-L354 HydrophobicContact CB-CD2 4.33Å; V173-L354 HydrophobicContact CG2-CD1 4.11Å; V173-L354 HydrophobicContact CG2-CD2 3.45Å; V173-L354 VanDerWaalsContact CG2-CD2 3.45Å; V173-L354 HydrophobicContact CG2-CG 3.9Å; V349-L354 HydrophobicContact CG1-CB 3.87Å; V349-L354 HydrophobicContact CG1-CD2 3.76Å; V349-L354 HydrophobicContact CG1-CG 3.94Å; D351-L354 HydrophobicContact CB-CB 3.89Å; D351-L354 PolarHBondContact O-N 3.08Å; D351-L354 WeakPolarHBondContact OD1-CB 3.42Å; D351-L354 PolarHBondContact OD1-N 3.07Å; A352-L354 VanDerWaalsContact C-N 3.34Å; L354-A356 VanDerWaalsContact C-N 3.34Å; L354-A356 PolarHBondContact O-N 2.92Å; L354-L357 HydrophobicContact CD1-CD2 4.11Å; L354-L357 PolarHBondContact O-N 2.94Å; L354-L358 HydrophobicContact CG-CD1 4.46Å; L354-L358 WeakPolarHBondContact O-CB 3.4Å; L354-L358 VanDerWaalsContact O-CG 3.28Å; L354-L358 WeakPolarHBondContact O-CG 3.38Å; L354-L358 PolarHBondContact O-N 3.29Å
355K94.3Very high87.6Confident64 Ų6474 Ų7428%0.27839%0.385SS..Hα-helixtrans-56.4-49169-79.7-171.4178-1720110.6E348 V349 D351 L357 L358 Q359E348-K355 IonicContact OE1-NZ 2.78Å; E348-K355 PolarHBondContact OE1-NZ 3.3Å; V349-K355 HydrophobicContact CG1-CG 4.33Å; V349-K355 WeakPolarHBondContact O-CE 3.36Å; D351-K355 WeakPolarHBondContact O-CG 3.31Å; D351-K355 PolarHBondContact O-N 3.21Å; K355-L357 VanDerWaalsContact C-N 3.35Å; K355-L357 PolarHBondContact O-N 3.25Å; K355-L358 PolarHBondContact O-N 3.07Å; K355-Q359 WeakPolarHBondContact O-CB 3.39Å; K355-Q359 VanDerWaalsContact O-CG 3.27Å; K355-Q359 WeakPolarHBondContact O-CG 3.44Å; K355-Q359 PolarHBondContact O-N 2.85Å
356A94.6Very high85.7Confident56 Ų5675.9 Ų75.946%0.46340%0.395SS..Hα-helixtrans-62.7-40.6179.300000112.2A352 E353 L354 S360A352-A356 WeakPolarHBondContact O-CB 3.35Å; A352-A356 PolarHBondContact O-N 3.13Å; E353-A356 PolarHBondContact O-N 2.89Å; L354-A356 VanDerWaalsContact C-N 3.34Å; L354-A356 PolarHBondContact O-N 2.92Å; A356-S360 PolarHBondContact O-N 3.25Å
357L94.1Very high83.9Confident38 Ų3870.1 Ų70.120%0.19937%0.368CS..Hα-helixtrans-59-52.7174.117968.7000110.8A152 R155 L156 E353 L354 K355 Q359 S360A152-L357 HydrophobicContact CB-CD2 4.49Å; R155-L357 HydrophobicContact CB-CD1 3.92Å; R155-L357 HydrophobicContact CB-CG 4.45Å; R155-L357 WeakPolarHBondContact CD-O 3.3Å; R155-L357 PolarHBondContact NE-O 3.15Å; R155-L357 VanDerWaalsContact NE-O 3.17Å; L156-L357 HydrophobicContact CD1-CD2 3.87Å; L156-L357 HydrophobicContact CD2-CD1 4.23Å; L156-L357 HydrophobicContact CD2-CD2 3.96Å; L156-L357 HydrophobicContact CG-CD2 3.87Å; E353-L357 WeakPolarHBondContact O-CB 3.33Å; E353-L357 PolarHBondContact O-N 2.49Å; L354-L357 HydrophobicContact CD1-CD2 4.11Å; L354-L357 PolarHBondContact O-N 2.94Å; K355-L357 VanDerWaalsContact C-N 3.35Å; K355-L357 PolarHBondContact O-N 3.25Å; L357-Q359 VanDerWaalsContact C-N 3.31Å; L357-Q359 PolarHBondContact O-N 3.2Å; L357-S360 VanDerWaalsContact O-CB 3.26Å; L357-S360 WeakPolarHBondContact O-CB 3.2Å; L357-S360 PolarHBondContact O-N 3.37Å; L357-S360 PolarHBondContact O-OG 3.3Å
358L92Very high82Confident26 Ų2675.1 Ų75.114%0.13639%0.389CS..Hα-helixtrans-63.8-35.4-176.8-69.8166.8000112.4L148 E151 A152 R155 V349 L354 K355 S360L148-L358 HydrophobicContact CB-CD1 4.44Å; L148-L358 HydrophobicContact CB-CD2 4.43Å; L148-L358 HydrophobicContact CD2-CD1 4.26Å; L148-L358 HydrophobicContact CD2-CD2 4.26Å; L148-L358 WeakPolarHBondContact O-CD2 3.48Å; E151-L358 HydrophobicContact CB-CD2 4.11Å; A152-L358 HydrophobicContact CB-CD2 4.14Å; R155-L358 PolarHBondContact NH2-O 2.95Å; V349-L358 HydrophobicContact CB-CD1 4.4Å; V349-L358 HydrophobicContact CG1-CD1 4.42Å; V349-L358 HydrophobicContact CG2-CD1 3.94Å; L354-L358 HydrophobicContact CG-CD1 4.46Å; L354-L358 WeakPolarHBondContact O-CB 3.4Å; L354-L358 VanDerWaalsContact O-CG 3.28Å; L354-L358 WeakPolarHBondContact O-CG 3.38Å; L354-L358 PolarHBondContact O-N 3.29Å; K355-L358 PolarHBondContact O-N 3.07Å; L358-S360 VanDerWaalsContact C-N 3.31Å; L358-S360 PolarHBondContact O-N 3.45Å
359Q90.6Very high80Confident149 Ų14978.2 Ų78.270%0.69640%0.401SS*.Hα-helixtrans-74.9-19175.2-69173.7-0.600113.5K355 L357K355-Q359 WeakPolarHBondContact O-CB 3.39Å; K355-Q359 VanDerWaalsContact O-CG 3.27Å; K355-Q359 WeakPolarHBondContact O-CG 3.44Å; K355-Q359 PolarHBondContact O-N 2.85Å; L357-Q359 VanDerWaalsContact C-N 3.31Å; L357-Q359 PolarHBondContact O-N 3.2Å
360S88.2Confident78.2Confident39 Ų3984.2 Ų84.227%0.27343%0.426SS..SBendtrans-65.8155.117682.50000111.2R155 A356 L357 L358R155-S360 VanDerWaalsContact CZ-O 3.29Å; R155-S360 PolarHBondContact NE-O 2.73Å; R155-S360 PolarHBondContact NH2-O 3.41Å; A356-S360 PolarHBondContact O-N 3.25Å; L357-S360 VanDerWaalsContact O-CB 3.26Å; L357-S360 WeakPolarHBondContact O-CB 3.2Å; L357-S360 PolarHBondContact O-N 3.37Å; L357-S360 PolarHBondContact O-OG 3.3Å; L358-S360 VanDerWaalsContact C-N 3.31Å; L358-S360 PolarHBondContact O-N 3.45Å
361S78.7Confident76.7Confident22 Ų2286.4 Ų86.415%0.15443%0.434CS..  trans-76.1137.1177.2-1790000110.8S363 T366 Q367S361-S363 VanDerWaalsContact C-N 3.35Å; S361-S363 PolarHBondContact O-N 3.31Å; S361-T366 WeakPolarHBondContact OG-CB 3.27Å; S361-T366 PolarHBondContact OG-OG1 3.04Å; S361-Q367 VanDerWaalsContact O-CG 3.27Å; S361-Q367 WeakPolarHBondContact O-CG 3.47Å; S361-Q367 PolarHBondContact O-NE2 3.28Å
362A70.9Confident74.9Confident31 Ų3190.8 Ų90.826%0.25645%0.45SS..SBendtrans-66.1-30.3175.200000114.1L154 R155L154-A362 HydrophobicContact CD2-CB 3.76Å; L154-A362 HydrophobicContact CG-CB 3.96Å; R155-A362 HydrophobicContact CG-CB 4.44Å
363S64.6Low73.2Confident55 Ų5594.4 Ų94.439%0.38545%0.452SS..SBendtrans-96.8135-178.8170.20000113.2S361 K365 T366 Q367S361-S363 VanDerWaalsContact C-N 3.35Å; S361-S363 PolarHBondContact O-N 3.31Å; S363-K365 VanDerWaalsContact C-N 3.29Å; S363-K365 PolarHBondContact O-N 2.74Å; S363-K365 PolarHBondContact OG-N 2.9Å; S363-T366 VanDerWaalsContact CB-OG1 3.25Å; S363-T366 WeakPolarHBondContact CB-OG1 3.43Å; S363-T366 PolarHBondContact O-N 3.17Å; S363-T366 PolarHBondContact O-OG1 2.94Å; S363-Q367 WeakPolarHBondContact O-CG 3.43Å; S363-Q367 PolarHBondContact O-N 3.41Å
364R59.8Low71.8Confident138 Ų13890 Ų9052%0.52144%0.441SS..Hα-helixtrans-61.9-32.4179.1-149.3172.1-170.3175.93.9112.9N328 K368N328-R364 WeakPolarHBondContact O-CB 3.3Å; R364-K368 WeakPolarHBondContact O-CB 3.48Å; R364-K368 WeakPolarHBondContact O-CG 3.32Å; R364-K368 PolarHBondContact O-N 3.24Å
365K53.1Low70Confident146 Ų14692.4 Ų92.464%0.63546%0.459SS*.Hα-helixtrans-67.3-43.3176.1-82.9-174.5178.4177.20111.5S363 K369S363-K365 VanDerWaalsContact C-N 3.29Å; S363-K365 PolarHBondContact O-N 2.74Å; S363-K365 PolarHBondContact OG-N 2.9Å; K365-K369 WeakPolarHBondContact O-CG 3.36Å; K365-K369 PolarHBondContact O-N 2.73Å
366T59.6Low68.4Low60 Ų6095.3 Ų95.337%0.36847%0.472SS..Hα-helixtrans-72.4-34.5175.128.80000112.1S361 S363 K369 K370S361-T366 WeakPolarHBondContact OG-CB 3.27Å; S361-T366 PolarHBondContact OG-OG1 3.04Å; S363-T366 VanDerWaalsContact CB-OG1 3.25Å; S363-T366 WeakPolarHBondContact CB-OG1 3.43Å; S363-T366 PolarHBondContact O-N 3.17Å; S363-T366 PolarHBondContact O-OG1 2.94Å; T366-K369 PolarHBondContact O-N 2.78Å; T366-K370 WeakPolarHBondContact O-CB 3.4Å; T366-K370 WeakPolarHBondContact O-CG 3.12Å; T366-K370 PolarHBondContact O-N 3.48Å
367Q59.3Low66.9Low78 Ų7897 Ų9736%0.36448%0.476SS..Hα-helixtrans-60.1-48.3169.6-71.8178.2-500111.6S361 S363 K369 K370 K371S361-Q367 VanDerWaalsContact O-CG 3.27Å; S361-Q367 WeakPolarHBondContact O-CG 3.47Å; S361-Q367 PolarHBondContact O-NE2 3.28Å; S363-Q367 WeakPolarHBondContact O-CG 3.43Å; S363-Q367 PolarHBondContact O-N 3.41Å; Q367-K369 PolarHBondContact O-N 2.99Å; Q367-K370 PolarHBondContact O-N 3.48Å; Q367-K371 WeakPolarHBondContact O-CB 3.3Å; Q367-K371 PolarHBondContact O-N 2.84Å
368K56.9Low65.1Low150 Ų15098 Ų9865%0.65249%0.49SS*.Hα-helixtrans-61.4-41176.2-78.1-175177.3-175.30112.2R364 K372R364-K368 WeakPolarHBondContact O-CB 3.48Å; R364-K368 WeakPolarHBondContact O-CG 3.32Å; R364-K368 PolarHBondContact O-N 3.24Å; K368-K372 VanDerWaalsContact O-CB 3.31Å; K368-K372 WeakPolarHBondContact O-CB 3.43Å; K368-K372 PolarHBondContact O-N 3.48Å
369K56Low63.2Low164 Ų164102 Ų10271%0.71351%0.508SS*.Hα-helixtrans-64-44.1174.1-76.2-173.8178.5-1750112.3K365 T366 Q367 K372 K373K365-K369 WeakPolarHBondContact O-CG 3.36Å; K365-K369 PolarHBondContact O-N 2.73Å; T366-K369 PolarHBondContact O-N 2.78Å; Q367-K369 PolarHBondContact O-N 2.99Å; K369-K372 PolarHBondContact O-N 3.36Å; K369-K373 WeakPolarHBondContact O-CB 3.32Å; K369-K373 PolarHBondContact O-N 2.92Å
370K58.8Low61.3Low132 Ų132100.8 Ų100.857%0.57451%0.506SS*.Hα-helixtrans-65.6-42.2176.6-78.4-171.1175.8-171.40111.9T366 Q367 K373 A374T366-K370 WeakPolarHBondContact O-CB 3.4Å; T366-K370 WeakPolarHBondContact O-CG 3.12Å; T366-K370 PolarHBondContact O-N 3.48Å; Q367-K370 PolarHBondContact O-N 3.48Å; K370-K373 PolarHBondContact O-N 3.48Å; K370-A374 WeakPolarHBondContact O-CB 3.05Å; K370-A374 PolarHBondContact O-N 3.01Å
371K60Low59.6Low170 Ų170103 Ų10374%0.73953%0.526SS*.Hα-helixtrans-65.4-40.6177-163.4172.9-176.5177.70111.8Q367 A374 S375Q367-K371 WeakPolarHBondContact O-CB 3.3Å; Q367-K371 PolarHBondContact O-N 2.84Å; K371-A374 PolarHBondContact O-N 2.96Å; K371-S375 WeakPolarHBondContact O-CB 3.47Å; K371-S375 PolarHBondContact O-N 2.55Å
372K57Low58.2Low147 Ų147107.6 Ų107.664%0.63955%0.554SS**Hα-helixtrans-65.6-35.9172.9-168173.3-176.21750112.3K368 K369 K376K368-K372 VanDerWaalsContact O-CB 3.31Å; K368-K372 WeakPolarHBondContact O-CB 3.43Å; K368-K372 PolarHBondContact O-N 3.48Å; K369-K372 PolarHBondContact O-N 3.36Å; K372-K376 WeakPolarHBondContact O-CG 3.48Å; K372-K376 PolarHBondContact O-N 3.45Å
373K61.3Low57.2Low155 Ų155109.7 Ų109.767%0.67457%0.567SS**Hα-helixtrans-68.3-45.7174.1-168.8175.9179.2-178.90111.4K369 K370 S375 K376 T377K369-K373 WeakPolarHBondContact O-CB 3.32Å; K369-K373 PolarHBondContact O-N 2.92Å; K370-K373 PolarHBondContact O-N 3.48Å; K373-S375 PolarHBondContact O-N 3.18Å; K373-K376 PolarHBondContact O-N 3.16Å; K373-T377 PolarHBondContact O-N 2.8Å; K373-T377 PolarHBondContact O-OG1 3.44Å
374A64.8Low56.1Low60 Ų60109.7 Ų109.750%0.49658%0.575SS.*Hα-helixtrans-64.2-38177.900000113K370 K371 T377 A378K370-A374 WeakPolarHBondContact O-CB 3.05Å; K370-A374 PolarHBondContact O-N 3.01Å; K371-A374 PolarHBondContact O-N 2.96Å; A374-T377 PolarHBondContact O-N 3.37Å; A374-A378 WeakPolarHBondContact O-CB 3.39Å; A374-A378 PolarHBondContact O-N 3.13Å
375S56.3Low55.1Low61 Ų61112 Ų11243%0.42759%0.592SS.*Hα-helixtrans-60.2-45.1173.1-161.90000111.6K371 K373 T377 A378 E379K371-S375 WeakPolarHBondContact O-CB 3.47Å; K371-S375 PolarHBondContact O-N 2.55Å; K373-S375 PolarHBondContact O-N 3.18Å; S375-T377 PolarHBondContact O-N 3.39Å; S375-A378 PolarHBondContact O-N 2.63Å; S375-E379 WeakPolarHBondContact O-CB 3.42Å; S375-E379 WeakPolarHBondContact O-CG 3.31Å; S375-E379 PolarHBondContact O-N 3.3Å
376K58.8Low54.3Low125 Ų125111.1 Ų111.154%0.54360%0.599SS.*Hα-helixtrans-64.8-37.2176.8-74.5-175.5170.3-156.70112.8K372 K373 N380K372-K376 WeakPolarHBondContact O-CG 3.48Å; K372-K376 PolarHBondContact O-N 3.45Å; K373-K376 PolarHBondContact O-N 3.16Å; K376-N380 WeakPolarHBondContact O-CB 3.48Å; K376-N380 PolarHBondContact O-N 2.94Å; K376-N380 PolarHBondContact O-OD1 2.88Å
377T63.7Low53.2Low90 Ų90116.3 Ų116.355%0.55262%0.624SS**Hα-helixtrans-69.5-36176.3-390000111.8K373 A374 S375 N380 A381K373-T377 PolarHBondContact O-N 2.8Å; K373-T377 PolarHBondContact O-OG1 3.44Å; A374-T377 PolarHBondContact O-N 3.37Å; S375-T377 PolarHBondContact O-N 3.39Å; T377-N380 PolarHBondContact O-N 3.25Å; T377-A381 WeakPolarHBondContact O-CB 3.14Å; T377-A381 PolarHBondContact O-N 3.36Å
378A56.7Low52Low59 Ų59120.3 Ų120.349%0.48864%0.642SS.*Hα-helixtrans-71.2-37.2175.900000112.6A374 S375 A381 T382A374-A378 WeakPolarHBondContact O-CB 3.39Å; A374-A378 PolarHBondContact O-N 3.13Å; S375-A378 PolarHBondContact O-N 2.63Å; A378-A381 PolarHBondContact O-N 3.25Å; A378-T382 PolarHBondContact O-N 3.05Å; A378-T382 VanDerWaalsContact O-N 3.13Å; A378-T382 PolarHBondContact O-OG1 3.47Å
379E51.2Low51.2Low111 Ų111122.2 Ų122.252%0.51965%0.653SS.*Hα-helixtrans-64.8-38171.4-76.6164.9-168.700111.7S375 T382 S383S375-E379 WeakPolarHBondContact O-CB 3.42Å; S375-E379 WeakPolarHBondContact O-CG 3.31Å; S375-E379 PolarHBondContact O-N 3.3Å; E379-T382 WeakPolarHBondContact CA-OG1 3.35Å; E379-T382 PolarHBondContact O-N 3.45Å; E379-T382 PolarHBondContact O-OG1 3.18Å; E379-T382 VanDerWaalsContact O-OG1 3.14Å; E379-S383 WeakPolarHBondContact O-CB 3.34Å; E379-S383 PolarHBondContact O-N 2.75Å; E379-S383 VanDerWaalsContact O-N 3.15Å; E379-S383 PolarHBondContact O-OG 3.37Å
380N51.9Low50.1Low124 Ų124121.7 Ų121.766%0.66366%0.658SS**Hα-helixtrans-71.8-29.6175-7715.6000113.2K376 T377 T382 S383K376-N380 WeakPolarHBondContact O-CB 3.48Å; K376-N380 PolarHBondContact O-N 2.94Å; K376-N380 PolarHBondContact O-OD1 2.88Å; T377-N380 PolarHBondContact O-N 3.25Å; N380-T382 VanDerWaalsContact C-N 3.34Å; N380-S383 WeakPolarHBondContact CA-OG 3.04Å; N380-S383 PolarHBondContact O-OG 3.04Å
381A51.6Low49.1Very low84 Ų84124.3 Ų124.369%0.69467%0.673SS**Hα-helixtrans-76.9-22175.100000113T377 A378T377-A381 WeakPolarHBondContact O-CB 3.14Å; T377-A381 PolarHBondContact O-N 3.36Å; A378-A381 PolarHBondContact O-N 3.25Å
382T50.4Low48.1Very low120 Ų120121 Ų12174%0.73668%0.678SS**Hα-helixtrans-94.1-12.2178.139.70000113.6A378 E379 N380A378-T382 PolarHBondContact O-N 3.05Å; A378-T382 VanDerWaalsContact O-N 3.13Å; A378-T382 PolarHBondContact O-OG1 3.47Å; E379-T382 WeakPolarHBondContact CA-OG1 3.35Å; E379-T382 PolarHBondContact O-N 3.45Å; E379-T382 PolarHBondContact O-OG1 3.18Å; E379-T382 VanDerWaalsContact O-OG1 3.14Å; N380-T382 VanDerWaalsContact C-N 3.34Å
383S48.8Very low47.1Very low74 Ų74117.7 Ų117.752%0.51768%0.684SS.*SBendtrans-93.10179.542.10000115.1E379 N380 E385E379-S383 WeakPolarHBondContact O-CB 3.34Å; E379-S383 PolarHBondContact O-N 2.75Å; E379-S383 VanDerWaalsContact O-N 3.15Å; E379-S383 PolarHBondContact O-OG 3.37Å; N380-S383 WeakPolarHBondContact CA-OG 3.04Å; N380-S383 PolarHBondContact O-OG 3.04Å; S383-E385 PolarHBondContact O-N 3.04Å
384G43.1Very low45.9Very low55 Ų55122 Ų12257%0.56772%0.715SS**  trans34.362.7162.900000115.2T386G384-T386 VanDerWaalsContact C-N 3.25Å; G384-T386 PolarHBondContact O-N 3.18Å
385E38.7Very low45Very low188 Ų188125.2 Ų125.288%0.87973%0.726SS**  trans-68.794.3164.6-81.5-176.8165.400107.5S383 L387S383-E385 PolarHBondContact O-N 3.04Å; E385-L387 PolarHBondContact O-N 3.22Å
386T35.3Very low44.4Very low126 Ų126128.5 Ų128.577%0.77374%0.742SS**  trans-63.3105.7159.620.30000106.6G384 E388G384-T386 VanDerWaalsContact C-N 3.25Å; G384-T386 PolarHBondContact O-N 3.18Å; T386-E388 PolarHBondContact O-N 3.17Å
387L36.3Very low43.6Very low170 Ų170128.7 Ų128.789%0.8975%0.753SS**  trans-72.190.9158.6-78.8161.6000106.3E385 E389E385-L387 PolarHBondContact O-N 3.22Å; L387-E389 PolarHBondContact O-N 2.75Å
388E33.9Very low42.4Very low162 Ų162131 Ų13176%0.75777%0.765SS**  trans-64118163-82.8-178.2157.100108.6T386 N390T386-E388 PolarHBondContact O-N 3.17Å; E388-N390 PolarHBondContact O-N 2.89Å
389E39.7Very low41.5Very low189 Ų189135.5 Ų135.588%0.88378%0.782SS**  trans-58.5112.2159.1-74.3174.414700108.5L387 E391L387-E389 PolarHBondContact O-N 2.75Å; E389-E391 PolarHBondContact O-N 3.34Å
390N33.6Very low40.9Very low153 Ų153137.1 Ų137.182%0.81880%0.8SS**  trans-91.590.5162.8-87.5-25.1000109E388E388-N390 PolarHBondContact O-N 2.89Å
391E38.8Very low40.1Very low188 Ų188138.1 Ų138.188%0.87981%0.809SS**  trans-74.5119.7145.8-81.1-170.6147.700109E389E389-E391 PolarHBondContact O-N 3.34Å
392A37.3Very low39.2Very low101 Ų101142.2 Ų142.284%0.83582%0.818SS**  trans-166.8119.4145.200000108.8
393G36.7Very low38.3Very low76 Ų76144.1 Ų144.178%0.78483%0.825SS**  trans-84.6156.3172.400000113.2
394D37.1Very low37.3Very low247 Ų247150.5 Ų150.5100%1.32185%0.853SS**  -155.30121.2-117.1-8.2000108.6

Retrieved 394 of 394 residues in 244.2 ms (Link to these results)

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